# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 8 7A-H N 8.36 ambi=1 { N:126 } atom: 1 6N-HD21 D2 6.91 ambi=2 { ND2:113.4 } :: atom: 8 7A-H N 8.36 ambi=1 { N:126 } atom: 2 6N-HD22 D2 7.61 ambi=2 { ND2:113.4 } ::sumAvg: 4.85 atom: 17 10K-H N 8.43 ambi=1 { N:121.8 } atom: 23 10K-QD D 1.61 ambi=2 { CD:29.2 } ::sumAvg: 3.87 atom: 17 10K-H N 8.43 ambi=1 { N:121.8 } atom: 25 10K-QE E 2.94 ambi=2 { CE:42 } ::sumAvg: 4.615 atom: 63 13K-H N 7.97 ambi=1 { N:122.1 } atom: 36 11R-QB B 1.65 ambi=2 { CB:30.7 } ::sumAvg: 4.86 atom: 54 12Q-HE21 E2 7.28 ambi=1 { NE2:112.3 } atom: 49 12Q-HA A 4.12 ambi=1 { CA:55.7 } :: atom: 55 12Q-HE22 E2 6.78 ambi=1 { NE2:112.3 } atom: 49 12Q-HA A 4.12 ambi=1 { CA:55.7 } ::sumAvg: 3.8 atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } atom: 49 12Q-HA A 4.12 ambi=1 { CA:55.7 } ::sumAvg: 4.835 atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } ::sumAvg: 4.755 atom: 63 13K-H N 7.97 ambi=1 { N:122.1 } atom: 71 13K-QE E 2.72 ambi=2 { CE:42 } ::sumAvg: 4.105 atom: 63 13K-H N 7.97 ambi=1 { N:122.1 } atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } ::sumAvg: 4.735 atom: 240 28V-H N 7.86 ambi=1 { N:120.5 } atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } :: atom: 240 28V-H N 7.86 ambi=1 { N:120.5 } atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } ::sumAvg: 4.96 atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } atom: 86 14Y-QE E 6.69 ambi=3 { CE1:118.1 } ::sumAvg: 4.5 atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } ::sumAvg: 4.735 atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } ::sumAvg: 3.83 atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } ::sumAvg: 3.875 atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } ::sumAvg: 3.875 atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 4.865 atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } ::sumAvg: 4.69 atom: 240 28V-H N 7.86 ambi=1 { N:120.5 } atom: 86 14Y-QE E 6.69 ambi=3 { CE1:118.1 } ::sumAvg: 4.975 atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } ::sumAvg: 4.78 atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } ::sumAvg: 4.71 atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } ::sumAvg: 4.845 atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 4.155 atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } ::sumAvg: 4.855 atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } ::sumAvg: 4.565 atom: 103 16M-H N 8.99 ambi=1 { N:123.2 } atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } ::sumAvg: 3.805 atom: 103 16M-H N 8.99 ambi=1 { N:123.2 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } ::sumAvg: 4.875 atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } atom: 103 16M-H N 8.99 ambi=1 { N:123.2 } ::sumAvg: 4.875 atom: 103 16M-H N 8.99 ambi=1 { N:123.2 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 103 16M-H N 8.99 ambi=1 { N:123.2 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 3.86 atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } :: atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } ::sumAvg: 4.11 atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } atom: 122 17K-QD D 1.64 ambi=2 { CD:29.2 } ::sumAvg: 3.82 atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } atom: 124 17K-QE E 2.88 ambi=2 { CE:42.1 } ::sumAvg: 4.245 atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } ::sumAvg: 4.93 atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } :: atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } ::sumAvg: 4.65 atom: 150 20L-H N 7.09 ambi=1 { N:119.2 } atom: 120 17K-HG2 G 1.27 ambi=2 { CG:24.2 } :: atom: 150 20L-H N 7.09 ambi=1 { N:119.2 } atom: 121 17K-HG3 G 1.35 ambi=2 { CG:24.2 } ::sumAvg: 4.965 atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } :: atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } ::sumAvg: 4.36 atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 4.145 atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } ::sumAvg: 4.545 atom: 164 21S-H N 9.19 ambi=1 { N:118.6 } atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } ::sumAvg: 4.91 atom: 251 29I-H N 7.82 ambi=1 { N:119.4 } atom: 234 27A-HA A 4.09 ambi=1 { CA:55 } ::sumAvg: 4.555 atom: 282 31A-H N 7.53 ambi=1 { N:120.5 } atom: 234 27A-HA A 4.09 ambi=1 { CA:55 } ::sumAvg: 4.14 atom: 251 29I-H N 7.82 ambi=1 { N:119.4 } atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } ::sumAvg: 4.635 atom: 179 23L-H N 8.08 ambi=1 { N:116.7 } atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } ::sumAvg: 4.595 atom: 193 24E-H N 7.82 ambi=1 { N:121 } atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } ::sumAvg: 4.695 atom: 172 22A-H N 8.95 ambi=1 { N:124 } atom: 184 23L-HD1 D1 0.95 ambi=2 { CD1:25 } :: atom: 172 22A-H N 8.95 ambi=1 { N:124 } atom: 185 23L-HD2 D2 0.88 ambi=2 { CD2:23.9 } ::sumAvg: 4.375 atom: 193 24E-H N 7.82 ambi=1 { N:121 } atom: 172 22A-H N 8.95 ambi=1 { N:124 } ::sumAvg: 4.255 atom: 179 23L-H N 8.08 ambi=1 { N:116.7 } atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } ::sumAvg: 3.51 atom: 193 24E-H N 7.82 ambi=1 { N:121 } atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } ::sumAvg: 4.38 atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } ::sumAvg: 4 atom: 193 24E-H N 7.82 ambi=1 { N:121 } atom: 174 22A-HB B 1.47 ambi=1 { CB:17.9 } ::sumAvg: 4.595 atom: 225 26N-HD21 D2 7.6 ambi=1 { ND2:110.9 } atom: 174 22A-HB B 1.47 ambi=1 { CB:17.9 } ::sumAvg: 4.705 atom: 179 23L-H N 8.08 ambi=1 { N:116.7 } atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } :: atom: 179 23L-H N 8.08 ambi=1 { N:116.7 } atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } ::sumAvg: 4.785 atom: 225 26N-HD21 D2 7.6 ambi=1 { ND2:110.9 } atom: 181 23L-HB2 B 1.56 ambi=2 { CB:42.2 } :: atom: 225 26N-HD21 D2 7.6 ambi=1 { ND2:110.9 } atom: 182 23L-HB3 B 1.72 ambi=2 { CB:42.2 } ::sumAvg: 4.84 atom: 233 27A-H N 7.57 ambi=1 { N:122.4 } atom: 184 23L-HD1 D1 0.95 ambi=2 { CD1:25 } :: atom: 233 27A-H N 7.57 ambi=1 { N:122.4 } atom: 185 23L-HD2 D2 0.88 ambi=2 { CD2:23.9 } ::sumAvg: 4.985 atom: 193 24E-H N 7.82 ambi=1 { N:121 } atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } ::sumAvg: 4.915 atom: 193 24E-H N 7.82 ambi=1 { N:121 } atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } :: atom: 193 24E-H N 7.82 ambi=1 { N:121 } atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } ::sumAvg: 4.735 atom: 193 24E-H N 7.82 ambi=1 { N:121 } atom: 223 26N-HB2 B 2.8 ambi=2 { CB:37.6 } :: atom: 193 24E-H N 7.82 ambi=1 { N:121 } atom: 224 26N-HB3 B 3.03 ambi=2 { CB:37.6 } ::sumAvg: 4.87 atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } :: atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } ::sumAvg: 4.915 atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } ::sumAvg: 4.9 atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } ::sumAvg: 4.115 atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } atom: 240 28V-H N 7.86 ambi=1 { N:120.5 } ::sumAvg: 4.795 atom: 240 28V-H N 7.86 ambi=1 { N:120.5 } atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } ::sumAvg: 4.795 atom: 233 27A-H N 7.57 ambi=1 { N:122.4 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } ::sumAvg: 4.355 atom: 251 29I-H N 7.82 ambi=1 { N:119.4 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } ::sumAvg: 4.105 atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } ::sumAvg: 4.825 atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } ::sumAvg: 4.865 atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } ::sumAvg: 4.41 atom: 225 26N-HD21 D2 7.6 ambi=1 { ND2:110.9 } atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } :: atom: 226 26N-HD22 D2 6.95 ambi=1 { ND2:110.9 } atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } ::sumAvg: 3.675 atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } :: atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } ::sumAvg: 4.87 atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } atom: 254 29I-HG12 G1 0.75 ambi=2 { CG1:29.3 } :: atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } atom: 255 29I-HG13 G1 1.33 ambi=2 { CG1:29.3 } ::sumAvg: 4.835 atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 4.81 atom: 225 26N-HD21 D2 7.6 ambi=1 { ND2:110.9 } atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } :: atom: 226 26N-HD22 D2 6.95 ambi=1 { ND2:110.9 } atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } ::sumAvg: 4.03 atom: 240 28V-H N 7.86 ambi=1 { N:120.5 } atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } ::sumAvg: 4.415 atom: 225 26N-HD21 D2 7.6 ambi=1 { ND2:110.9 } atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } ::sumAvg: 4.76 atom: 233 27A-H N 7.57 ambi=1 { N:122.4 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.855 atom: 233 27A-H N 7.57 ambi=1 { N:122.4 } atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } ::sumAvg: 4.955 atom: 265 30K-H N 7.92 ambi=1 { N:117 } atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } ::sumAvg: 4.575 atom: 289 32A-H N 7.92 ambi=1 { N:123.8 } atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } ::sumAvg: 4.265 atom: 265 30K-H N 7.92 ambi=1 { N:117 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.97 atom: 251 29I-H N 7.82 ambi=1 { N:119.4 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 4.765 atom: 251 29I-H N 7.82 ambi=1 { N:119.4 } atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } ::sumAvg: 4.62 atom: 289 32A-H N 7.92 ambi=1 { N:123.8 } atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } ::sumAvg: 4.525 atom: 265 30K-H N 7.92 ambi=1 { N:117 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 4.5 atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 4.875 atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 4.205 atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } ::sumAvg: 4.325 atom: 282 31A-H N 7.53 ambi=1 { N:120.5 } atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 4.88 atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } atom: 282 31A-H N 7.53 ambi=1 { N:120.5 } ::sumAvg: 4.88 atom: 296 33Y-H N 7.94 ambi=1 { N:117.1 } atom: 283 31A-HA A 3.74 ambi=1 { CA:54.9 } ::sumAvg: 4.545 atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } ::sumAvg: 4.62 atom: 289 32A-H N 7.92 ambi=1 { N:123.8 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } :: atom: 289 32A-H N 7.92 ambi=1 { N:123.8 } atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } ::sumAvg: 4.81 atom: 289 32A-H N 7.92 ambi=1 { N:123.8 } atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } ::sumAvg: 4.795 atom: 289 32A-H N 7.92 ambi=1 { N:123.8 } atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 4.22 atom: 289 32A-H N 7.92 ambi=1 { N:123.8 } atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } ::sumAvg: 4.255 atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } ::sumAvg: 4.445 atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 4.5 atom: 296 33Y-H N 7.94 ambi=1 { N:117.1 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 4.695 atom: 296 33Y-H N 7.94 ambi=1 { N:117.1 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 4.215 atom: 326 35Q-H N 7.87 ambi=1 { N:119.3 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 4.265 atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 3.71 atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 3.435 atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } :: atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } ::sumAvg: 4.785 atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } :: atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } ::sumAvg: 4.64 atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } ::sumAvg: 4.82 atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } atom: 318 34R-HD2 D 3.08 ambi=2 { CD:43.4 } :: atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } atom: 319 34R-HD3 D 3.2 ambi=2 { CD:43.4 } ::sumAvg: 4.4 atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 4.515 atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 4.345 atom: 365 38E-H N 7.31 ambi=1 { N:111.3 } atom: 314 34R-QB B 1.77 ambi=2 { CB:30 } ::sumAvg: 4.95 atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } atom: 316 34R-HG2 G 1.33 ambi=2 { CG:28.3 } :: atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } atom: 317 34R-HG3 G 1.78 ambi=2 { CG:28.3 } ::sumAvg: 4.735 atom: 326 35Q-H N 7.87 ambi=1 { N:119.3 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 4.105 atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } atom: 327 35Q-HA A 4.13 ambi=1 { CA:57.3 } ::sumAvg: 3.445 atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 327 35Q-HA A 4.13 ambi=1 { CA:57.3 } ::sumAvg: 4.845 atom: 365 38E-H N 7.31 ambi=1 { N:111.3 } atom: 327 35Q-HA A 4.13 ambi=1 { CA:57.3 } ::sumAvg: 3.855 atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } :: atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } ::sumAvg: 4.94 atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } :: atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } ::sumAvg: 4.85 atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } ::sumAvg: 3.55 atom: 365 38E-H N 7.31 ambi=1 { N:111.3 } atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } ::sumAvg: 4.435 atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 338 36I-HG12 G1 1.11 ambi=2 { CG1:27.7 } :: atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 339 36I-HG13 G1 1.37 ambi=2 { CG1:27.7 } ::sumAvg: 4.265 atom: 365 38E-H N 7.31 ambi=1 { N:111.3 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } ::sumAvg: 4.81 atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } ::sumAvg: 4.605 atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } ::sumAvg: 4.6 atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 4.86 atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 367 38E-HB2 B 2.34 ambi=2 { CB:26.1 } :: atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 368 38E-HB3 B 2.53 ambi=2 { CB:26.1 } ::sumAvg: 4.955 atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } ::sumAvg: 3.415 atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 3.415 atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } :: atom: 349 37F-H N 8.28 ambi=1 { N:109 } atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } ::sumAvg: 4.81 atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } atom: 350 37F-HA A 4.73 ambi=1 { CA:57.3 } ::sumAvg: 4.305 atom: 392 40D-H N 8.36 ambi=1 { N:117.3 } atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } :: atom: 392 40D-H N 8.36 ambi=1 { N:117.3 } atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } ::sumAvg: 4.745 atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 3.825 atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } atom: 369 38E-HG2 G 1.84 ambi=2 { CG:36.5 } :: atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } atom: 370 38E-HG3 G 2.21 ambi=2 { CG:36.5 } ::sumAvg: 4.665 atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } atom: 392 40D-H N 8.36 ambi=1 { N:117.3 } ::sumAvg: 3.635 atom: 384 39R-HE E 7.15 ambi=1 { NE:85.1 } atom: 377 39R-HA A 4.49 ambi=1 { CA:54.6 } ::sumAvg: 4.38 atom: 400 41I-H N 7.08 ambi=1 { N:120.4 } atom: 377 39R-HA A 4.49 ambi=1 { CA:54.6 } ::sumAvg: 4.91 atom: 384 39R-HE E 7.15 ambi=1 { NE:85.1 } atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } :: atom: 384 39R-HE E 7.15 ambi=1 { NE:85.1 } atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } ::sumAvg: 3.155 atom: 400 41I-H N 7.08 ambi=1 { N:120.4 } atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } :: atom: 400 41I-H N 7.08 ambi=1 { N:120.4 } atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } ::sumAvg: 4.01 atom: 384 39R-HE E 7.15 ambi=1 { NE:85.1 } atom: 380 39R-HG2 G 1.19 ambi=2 { CG:25.4 } :: atom: 384 39R-HE E 7.15 ambi=1 { NE:85.1 } atom: 381 39R-HG3 G 1.49 ambi=2 { CG:25.4 } ::sumAvg: 2.75 atom: 400 41I-H N 7.08 ambi=1 { N:120.4 } atom: 380 39R-HG2 G 1.19 ambi=2 { CG:25.4 } :: atom: 400 41I-H N 7.08 ambi=1 { N:120.4 } atom: 381 39R-HG3 G 1.49 ambi=2 { CG:25.4 } ::sumAvg: 4.695 atom: 384 39R-HE E 7.15 ambi=1 { NE:85.1 } atom: 382 39R-QD D 3.06 ambi=2 { CD:43.5 } ::sumAvg: 2.39 atom: 400 41I-H N 7.08 ambi=1 { N:120.4 } atom: 382 39R-QD D 3.06 ambi=2 { CD:43.5 } ::sumAvg: 4.64 atom: 384 39R-HE E 7.15 ambi=1 { NE:85.1 } atom: 392 40D-H N 8.36 ambi=1 { N:117.3 } ::sumAvg: 4.795 atom: 400 41I-H N 7.08 ambi=1 { N:120.4 } atom: 392 40D-H N 8.36 ambi=1 { N:117.3 } ::sumAvg: 3.22 atom: 392 40D-H N 8.36 ambi=1 { N:117.3 } atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } :: atom: 392 40D-H N 8.36 ambi=1 { N:117.3 } atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } ::sumAvg: 4.765 atom: 392 40D-H N 8.36 ambi=1 { N:117.3 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } ::sumAvg: 4.405 atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } atom: 578 56V-HA A 4.22 ambi=1 { CA:63.6 } ::sumAvg: 3.15 atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } ::sumAvg: 4.025 atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } atom: 402 41I-HB B 1.43 ambi=1 { CB:38 } ::sumAvg: 4.88 atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } ::sumAvg: 4.795 atom: 463 46S-H N 7.8 ambi=1 { N:114.4 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } ::sumAvg: 4.78 atom: 414 42T-H N 7.83 ambi=1 { N:115.9 } atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } ::sumAvg: 4.335 atom: 414 42T-H N 7.83 ambi=1 { N:115.9 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } ::sumAvg: 3.155 atom: 414 42T-H N 7.83 ambi=1 { N:115.9 } atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } ::sumAvg: 3.37 atom: 414 42T-H N 7.83 ambi=1 { N:115.9 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 414 42T-H N 7.83 ambi=1 { N:115.9 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.825 atom: 440 44A-H N 7.93 ambi=1 { N:121.3 } atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } ::sumAvg: 4.68 atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } ::sumAvg: 4.81 atom: 440 44A-H N 7.93 ambi=1 { N:121.3 } atom: 416 42T-HB B 4.22 ambi=1 { CB:70 } ::sumAvg: 4.84 atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } atom: 416 42T-HB B 4.22 ambi=1 { CB:70 } ::sumAvg: 4.805 atom: 423 43K-H N 8.13 ambi=1 { N:119.9 } atom: 429 43K-QD D 1.63 ambi=2 { CD:29 } ::sumAvg: 3.645 atom: 423 43K-H N 8.13 ambi=1 { N:119.9 } atom: 431 43K-QE E 2.94 ambi=2 { CE:42 } ::sumAvg: 3.89 atom: 423 43K-H N 8.13 ambi=1 { N:119.9 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } ::sumAvg: 4.485 atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } atom: 424 43K-HA A 4.03 ambi=1 { CA:57.8 } ::sumAvg: 4.125 atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } atom: 425 43K-HB2 B 1.73 ambi=2 { CB:32 } :: atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } atom: 426 43K-HB3 B 1.79 ambi=2 { CB:32 } ::sumAvg: 4.64 atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } atom: 427 43K-QG G 1.36 ambi=2 { CG:24.8 } ::sumAvg: 4.045 atom: 440 44A-H N 7.93 ambi=1 { N:121.3 } atom: 448 45Y-HA A 4.33 ambi=1 { CA:58.7 } ::sumAvg: 4.615 atom: 440 44A-H N 7.93 ambi=1 { N:121.3 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } ::sumAvg: 4.35 atom: 463 46S-H N 7.8 ambi=1 { N:114.4 } atom: 441 44A-HA A 4.16 ambi=1 { CA:52.9 } ::sumAvg: 4.855 atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } ::sumAvg: 4.98 atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } ::sumAvg: 4.95 atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } atom: 465 46S-HB2 B 3.77 ambi=2 { CB:64.2 } :: atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } atom: 466 46S-HB3 B 4.02 ambi=2 { CB:64.2 } ::sumAvg: 4.555 atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } atom: 470 47Q-HA A 4.1 ambi=1 { CA:59 } ::sumAvg: 3.46 atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } atom: 470 47Q-HA A 4.1 ambi=1 { CA:59 } ::sumAvg: 4.085 atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } ::sumAvg: 4.34 atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } ::sumAvg: 4.65 atom: 513 51Y-H N 8.3 ambi=1 { N:122 } atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } ::sumAvg: 4.845 atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } atom: 473 47Q-QG G 2.42 ambi=2 { CG:33.9 } ::sumAvg: 3.19 atom: 475 47Q-HE21 E2 7.5 ambi=1 { NE2:112.2 } atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } ::sumAvg: 4.745 atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } atom: 475 47Q-HE21 E2 7.5 ambi=1 { NE2:112.2 } ::sumAvg: 4.745 atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } ::sumAvg: 4.92 atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } atom: 494 49I-HG12 G1 1.19 ambi=2 { CG1:28.3 } :: atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } atom: 495 49I-HG13 G1 1.48 ambi=2 { CG1:28.3 } ::sumAvg: 3.985 atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } atom: 484 48S-HA A 4.34 ambi=1 { CA:61.2 } ::sumAvg: 4.515 atom: 513 51Y-H N 8.3 ambi=1 { N:122 } atom: 484 48S-HA A 4.34 ambi=1 { CA:61.2 } ::sumAvg: 3.39 atom: 529 52L-H N 7.75 ambi=1 { N:121.9 } atom: 484 48S-HA A 4.34 ambi=1 { CA:61.2 } ::sumAvg: 4.025 atom: 529 52L-H N 7.75 ambi=1 { N:121.9 } atom: 485 48S-QB B 3.97 ambi=2 { CB:62.8 } ::sumAvg: 4.815 atom: 513 51Y-H N 8.3 ambi=1 { N:122 } atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } ::sumAvg: 3.855 atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } :: atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } ::sumAvg: 4.845 atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 4.65 atom: 529 52L-H N 7.75 ambi=1 { N:121.9 } atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } ::sumAvg: 3.57 atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } ::sumAvg: 4.23 atom: 513 51Y-H N 8.3 ambi=1 { N:122 } atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } ::sumAvg: 4.75 atom: 513 51Y-H N 8.3 ambi=1 { N:122 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 4.865 atom: 529 52L-H N 7.75 ambi=1 { N:121.9 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 4.765 atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 4.045 atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } atom: 497 49I-HD1 D1 0.79 ambi=1 { CD1:12.5 } ::sumAvg: 4.45 atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } :: atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } ::sumAvg: 4.745 atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 4.65 atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } ::sumAvg: 4.65 atom: 513 51Y-H N 8.3 ambi=1 { N:122 } atom: 506 50S-HA A 4.14 ambi=1 { CA:62.1 } ::sumAvg: 3.48 atom: 513 51Y-H N 8.3 ambi=1 { N:122 } atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } :: atom: 513 51Y-H N 8.3 ambi=1 { N:122 } atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } ::sumAvg: 4.805 atom: 513 51Y-H N 8.3 ambi=1 { N:122 } atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } ::sumAvg: 4.485 atom: 513 51Y-H N 8.3 ambi=1 { N:122 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 4.015 atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } atom: 513 51Y-H N 8.3 ambi=1 { N:122 } ::sumAvg: 4.015 atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } atom: 514 51Y-HA A 4.41 ambi=1 { CA:60.9 } ::sumAvg: 4.345 atom: 569 55Q-HE22 E2 6.47 ambi=2 { NE2:109.6 } atom: 517 51Y-QD D 7.13 ambi=3 { CD1:133.1 } ::sumAvg: 4.29 atom: 529 52L-H N 7.75 ambi=1 { N:121.9 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 4.635 atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } ::sumAvg: 4.255 atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 4.87 atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 3.92 atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 4.19 atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 4.095 atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } ::sumAvg: 4.96 atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 4.96 atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 4.26 atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 3.365 atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } ::sumAvg: 4.83 atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } ::sumAvg: 4.41 atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } ::sumAvg: 3.735 atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } atom: 547 53E-HG2 G 2.12 ambi=2 { CG:37.9 } :: atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } ::sumAvg: 4.76 atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } atom: 547 53E-HG2 G 2.12 ambi=2 { CG:37.9 } :: atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } ::sumAvg: 4.605 atom: 554 54S-H N 8.09 ambi=1 { N:114.7 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 554 54S-H N 8.09 ambi=1 { N:114.7 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 4.425 atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } ::sumAvg: 3.525 atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } ::sumAvg: 4.62 atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } ::sumAvg: 3.46 atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } ::sumAvg: 3.89 atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } ::sumAvg: 4.06 atom: 608 58N-HD21 D2 7.87 ambi=2 { ND2:113.2 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } :: atom: 609 58N-HD22 D2 6.79 ambi=2 { ND2:113.2 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } ::sumAvg: 4.985 atom: 568 55Q-HE21 E2 7 ambi=2 { NE2:109.6 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } :: atom: 569 55Q-HE22 E2 6.47 ambi=2 { NE2:109.6 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } ::sumAvg: 4.8 atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } ::sumAvg: 4.905 atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } ::sumAvg: 4.995 atom: 568 55Q-HE21 E2 7 ambi=2 { NE2:109.6 } atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } :: atom: 569 55Q-HE22 E2 6.47 ambi=2 { NE2:109.6 } atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } ::sumAvg: 3.925 atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } ::sumAvg: 3.97 atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } ::sumAvg: 3.97 atom: 608 58N-HD21 D2 7.87 ambi=2 { ND2:113.2 } atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } :: atom: 609 58N-HD22 D2 6.79 ambi=2 { ND2:113.2 } atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } ::sumAvg: 4.435 atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } ::sumAvg: 4.75 atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } atom: 566 55Q-HG2 G 2.03 ambi=2 { CG:34.8 } :: atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } atom: 567 55Q-HG3 G 2.18 ambi=2 { CG:34.8 } ::sumAvg: 4.62 atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } ::sumAvg: 4.745 atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } ::sumAvg: 4.745 atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } atom: 622 60D-H N 8.4 ambi=1 { N:121.1 } ::sumAvg: 4.945 atom: 622 60D-H N 8.4 ambi=1 { N:121.1 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } ::sumAvg: 4.945 atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } atom: 630 61I-H N 7.02 ambi=1 { N:107.6 } ::sumAvg: 4.595 atom: 630 61I-H N 7.02 ambi=1 { N:107.6 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } ::sumAvg: 4.595 atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } ::sumAvg: 4.45 atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 4.92 atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 4.345 atom: 630 61I-H N 7.02 ambi=1 { N:107.6 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 630 61I-H N 7.02 ambi=1 { N:107.6 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 4.06 atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } atom: 606 58N-HB2 B 2.78 ambi=2 { CB:38.9 } :: atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } atom: 607 58N-HB3 B 2.87 ambi=2 { CB:38.9 } ::sumAvg: 4.75 atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } :: atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } ::sumAvg: 4.63 atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 4.075 atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } ::sumAvg: 2.985 atom: 608 58N-HD21 D2 7.87 ambi=2 { ND2:113.2 } atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } :: atom: 609 58N-HD22 D2 6.79 ambi=2 { ND2:113.2 } atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } ::sumAvg: 4.855 atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } atom: 592 57R-HG2 G 1.36 ambi=2 { CG:29.7 } :: atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } atom: 593 57R-HG3 G 1.55 ambi=2 { CG:29.7 } ::sumAvg: 3.045 atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } :: atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } ::sumAvg: 2.545 atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } :: atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } ::sumAvg: 4.395 atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } atom: 609 58N-HD22 D2 6.79 ambi=2 { ND2:113.2 } ::sumAvg: 3.655 atom: 609 58N-HD22 D2 6.79 ambi=2 { ND2:113.2 } atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } ::sumAvg: 3.655 atom: 608 58N-HD21 D2 7.87 ambi=2 { ND2:113.2 } atom: 624 60D-HB2 B 2.45 ambi=2 { CB:41.9 } :: atom: 608 58N-HD21 D2 7.87 ambi=2 { ND2:113.2 } atom: 625 60D-HB3 B 2.71 ambi=2 { CB:41.9 } :: atom: 609 58N-HD22 D2 6.79 ambi=2 { ND2:113.2 } atom: 624 60D-HB2 B 2.45 ambi=2 { CB:41.9 } :: atom: 609 58N-HD22 D2 6.79 ambi=2 { ND2:113.2 } atom: 625 60D-HB3 B 2.71 ambi=2 { CB:41.9 } ::sumAvg: 4.365 atom: 608 58N-HD21 D2 7.87 ambi=2 { ND2:113.2 } atom: 622 60D-H N 8.4 ambi=1 { N:121.1 } :: atom: 609 58N-HD22 D2 6.79 ambi=2 { ND2:113.2 } atom: 622 60D-H N 8.4 ambi=1 { N:121.1 } ::sumAvg: 4.765 atom: 622 60D-H N 8.4 ambi=1 { N:121.1 } atom: 608 58N-HD21 D2 7.87 ambi=2 { ND2:113.2 } :: atom: 622 60D-H N 8.4 ambi=1 { N:121.1 } atom: 609 58N-HD22 D2 6.79 ambi=2 { ND2:113.2 } ::sumAvg: 4.765 atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } atom: 623 60D-HA A 4.36 ambi=1 { CA:57 } ::sumAvg: 4.98 atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } ::sumAvg: 3.885 atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } :: atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } ::sumAvg: 3.265 atom: 641 62S-H N 8.3 ambi=1 { N:117.5 } atom: 630 61I-H N 7.02 ambi=1 { N:107.6 } ::sumAvg: 4.435 atom: 630 61I-H N 7.02 ambi=1 { N:107.6 } atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } ::sumAvg: 4.945 atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } atom: 633 61I-HG2 G2 0.79 ambi=1 { CG2:16.8 } ::sumAvg: 4.495 atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } atom: 634 61I-HD1 D1 0.8 ambi=1 { CD1:13.3 } ::sumAvg: 4.65 atom: 641 62S-H N 8.3 ambi=1 { N:117.5 } atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } ::sumAvg: 3.72 atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } ::sumAvg: 4.755 atom: 690 66F-H N 8.64 ambi=1 { N:122.9 } atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } ::sumAvg: 4.71 atom: 649 63M-H N 8.63 ambi=1 { N:120.9 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } ::sumAvg: 4.375 atom: 649 63M-H N 8.63 ambi=1 { N:120.9 } atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } ::sumAvg: 4.8 atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } ::sumAvg: 3.47 atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } ::sumAvg: 4.32 atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } ::sumAvg: 4.92 atom: 690 66F-H N 8.64 ambi=1 { N:122.9 } atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } ::sumAvg: 4.83 atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } ::sumAvg: 4.63 atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } :: atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } ::sumAvg: 4.14 atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } ::sumAvg: 4.88 atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } atom: 666 64K-HG2 G 0.84 ambi=2 { CG:24.4 } :: atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } atom: 667 64K-HG3 G 1.23 ambi=2 { CG:24.4 } ::sumAvg: 3.305 atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 4.675 atom: 690 66F-H N 8.64 ambi=1 { N:122.9 } atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } ::sumAvg: 4.03 atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } ::sumAvg: 4.815 atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } ::sumAvg: 4.815 atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } :: atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } ::sumAvg: 4.77 atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } ::sumAvg: 4.115 atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } ::sumAvg: 4.885 atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } atom: 666 64K-HG2 G 0.84 ambi=2 { CG:24.4 } :: atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } atom: 667 64K-HG3 G 1.23 ambi=2 { CG:24.4 } ::sumAvg: 4.985 atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } :: atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } ::sumAvg: 4.705 atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } ::sumAvg: 4.315 atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } ::sumAvg: 4.315 atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } ::sumAvg: 4.795 atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } ::sumAvg: 4.795 atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } :: atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } ::sumAvg: 4.86 atom: 726 68R-HE E 7.85 ambi=1 { NE:78.7 } atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } ::sumAvg: 4.165 atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } ::sumAvg: 3.99 atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 4.98 atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 4.915 atom: 726 68R-HE E 7.85 ambi=1 { NE:78.7 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 4.985 atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 4.83 atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 4.755 atom: 726 68R-HE E 7.85 ambi=1 { NE:78.7 } atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } ::sumAvg: 4.355 atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } ::sumAvg: 4.645 atom: 690 66F-H N 8.64 ambi=1 { N:122.9 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } ::sumAvg: 4.06 atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } atom: 690 66F-H N 8.64 ambi=1 { N:122.9 } ::sumAvg: 4.06 atom: 690 66F-H N 8.64 ambi=1 { N:122.9 } atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } ::sumAvg: 4.81 atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } atom: 690 66F-H N 8.64 ambi=1 { N:122.9 } ::sumAvg: 4.81 atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } ::sumAvg: 4.595 atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } ::sumAvg: 3.665 atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } :: atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } ::sumAvg: 4.82 atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } ::sumAvg: 4.625 atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } ::sumAvg: 4.32 atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } ::sumAvg: 4.905 atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } ::sumAvg: 4.495 atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } :: atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } ::sumAvg: 4.805 atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } ::sumAvg: 4.185 atom: 726 68R-HE E 7.85 ambi=1 { NE:78.7 } atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } ::sumAvg: 2.9 atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } ::sumAvg: 4.83 atom: 726 68R-HE E 7.85 ambi=1 { NE:78.7 } atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } ::sumAvg: 2.665 atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } ::sumAvg: 3.285 atom: 726 68R-HE E 7.85 ambi=1 { NE:78.7 } atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } :: atom: 726 68R-HE E 7.85 ambi=1 { NE:78.7 } atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } ::sumAvg: 2.59 atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } :: atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } ::sumAvg: 4.785 atom: 726 68R-HE E 7.85 ambi=1 { NE:78.7 } atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } :: atom: 726 68R-HE E 7.85 ambi=1 { NE:78.7 } atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } ::sumAvg: 3.88 atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } :: atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } ::sumAvg: 4.755 atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } ::sumAvg: 4.515 atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } ::sumAvg: 4.76 atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } ::sumAvg: 4.76 atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } atom: 738 69R-HG2 G 1.76 ambi=2 { CG:28.7 } :: atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } atom: 739 69R-HG3 G 2.02 ambi=2 { CG:28.7 } ::sumAvg: 2.67 atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } atom: 741 69R-HD3 D 3.33 ambi=2 { CD:43.7 } :: atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } atom: 740 69R-HD2 D 2.89 ambi=2 { CD:43.7 } ::sumAvg: 2.57 atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } :: atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } ::sumAvg: 4.785 atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 4.35 atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } ::sumAvg: 3.92 atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } ::sumAvg: 3.92 atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } ::sumAvg: 4.915 atom: 786 73S-H N 7.69 ambi=1 { N:117.8 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 4.32 atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } ::sumAvg: 4.445 atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } :: atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } atom: 774 72K-HB3 B 2.02 ambi=2 { CB:34.8 } ::sumAvg: 4.825 atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } atom: 786 73S-H N 7.69 ambi=1 { N:117.8 } ::sumAvg: 4.02 atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } atom: 790 73S-HG G 6.24 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.725 atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 4.845 atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } :: atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } ::sumAvg: 3.855 atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } atom: 847 78K-HA A 4.04 ambi=1 { CA:59 } ::sumAvg: 3.46 atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } atom: 787 73S-HA A 4.54 ambi=1 { CA:58.6 } ::sumAvg: 4.755 atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } :: atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } ::sumAvg: 4.415 atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 4.555 atom: 786 73S-H N 7.69 ambi=1 { N:117.8 } atom: 799 74P-QD D 4.02 ambi=2 { CD:50.7 } ::sumAvg: 4.355 atom: 786 73S-H N 7.69 ambi=1 { N:117.8 } atom: 830 77R-H N 8.7 ambi=1 { N:119 } ::sumAvg: 4.905 atom: 830 77R-H N 8.7 ambi=1 { N:119 } atom: 786 73S-H N 7.69 ambi=1 { N:117.8 } ::sumAvg: 4.905 atom: 806 75L-H N 7.64 ambi=1 { N:116.8 } atom: 787 73S-HA A 4.54 ambi=1 { CA:58.6 } ::sumAvg: 4.18 atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 787 73S-HA A 4.54 ambi=1 { CA:58.6 } ::sumAvg: 4.995 atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } :: atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } ::sumAvg: 3.515 atom: 806 75L-H N 7.64 ambi=1 { N:116.8 } atom: 790 73S-HG G 6.24 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.73 atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 794 74P-HA A 4.34 ambi=1 { CA:65.7 } ::sumAvg: 4.475 atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } atom: 794 74P-HA A 4.34 ambi=1 { CA:65.7 } ::sumAvg: 4.19 atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 799 74P-QD D 4.02 ambi=2 { CD:50.7 } ::sumAvg: 4.825 atom: 806 75L-H N 7.64 ambi=1 { N:116.8 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 4.51 atom: 806 75L-H N 7.64 ambi=1 { N:116.8 } atom: 830 77R-H N 8.7 ambi=1 { N:119 } ::sumAvg: 3.995 atom: 830 77R-H N 8.7 ambi=1 { N:119 } atom: 806 75L-H N 7.64 ambi=1 { N:116.8 } ::sumAvg: 3.995 atom: 806 75L-H N 7.64 ambi=1 { N:116.8 } atom: 846 78K-H N 8.67 ambi=1 { N:118.7 } ::sumAvg: 4.645 atom: 846 78K-H N 8.67 ambi=1 { N:118.7 } atom: 806 75L-H N 7.64 ambi=1 { N:116.8 } ::sumAvg: 4.645 atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 807 75L-HA A 4.03 ambi=1 { CA:58.1 } ::sumAvg: 3.52 atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } atom: 807 75L-HA A 4.03 ambi=1 { CA:58.1 } ::sumAvg: 4.43 atom: 868 79Q-HE21 E2 6.84 ambi=1 { NE2:109.7 } atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } ::sumAvg: 4.785 atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 810 75L-HG G 1.26 ambi=1 { CG:27 } ::sumAvg: 4.42 atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.19 atom: 846 78K-H N 8.67 ambi=1 { N:118.7 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 846 78K-H N 8.67 ambi=1 { N:118.7 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.66 atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.185 atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 832 77R-HB2 B 1.9 ambi=2 { CB:30.9 } :: atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 833 77R-HB3 B 2.02 ambi=2 { CB:30.9 } ::sumAvg: 4.88 atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } ::sumAvg: 4.735 atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } ::sumAvg: 4.735 atom: 830 77R-H N 8.7 ambi=1 { N:119 } atom: 824 76Y-QD D 7.16 ambi=3 {attached_atom is not_assigned} ::sumAvg: 4 atom: 830 77R-H N 8.7 ambi=1 { N:119 } atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } ::sumAvg: 2.99 atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } atom: 832 77R-HB2 B 1.9 ambi=2 { CB:30.9 } :: atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } atom: 833 77R-HB3 B 2.02 ambi=2 { CB:30.9 } ::sumAvg: 3.3 atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } ::sumAvg: 2.66 atom: 846 78K-H N 8.67 ambi=1 { N:118.7 } atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } ::sumAvg: 3.51 atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } atom: 836 77R-HD2 D 3.29 ambi=2 { CD:43.5 } :: atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } atom: 837 77R-HD3 D 3.38 ambi=2 { CD:43.5 } ::sumAvg: 2.55 atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 4.75 atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } :: atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } ::sumAvg: 4.58 atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } ::sumAvg: 4.385 atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } atom: 1364 121P-HD2 D 3.63 ambi=2 { CD:49.9 } :: atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } atom: 1365 121P-HD3 D 3.91 ambi=2 { CD:49.9 } ::sumAvg: 4.12 atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } atom: 850 78K-QG G 1.48 ambi=2 { CG:25 } ::sumAvg: 3.865 atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } :: atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } ::sumAvg: 4.94 atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } atom: 868 79Q-HE21 E2 6.84 ambi=1 { NE2:109.7 } ::sumAvg: 4.29 atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } ::sumAvg: 4.925 atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } ::sumAvg: 4.865 atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } ::sumAvg: 4.865 atom: 868 79Q-HE21 E2 6.84 ambi=1 { NE2:109.7 } atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } :: atom: 869 79Q-HE22 E2 6.56 ambi=1 { NE2:109.7 } atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } ::sumAvg: 3.45 atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } ::sumAvg: 4.525 atom: 877 80F-H N 8.48 ambi=1 { N:110.8 } atom: 866 79Q-HG2 G 1.63 ambi=2 { CG:34 } :: atom: 877 80F-H N 8.48 ambi=1 { N:110.8 } atom: 867 79Q-HG3 G 2.05 ambi=2 { CG:34 } ::sumAvg: 4.485 atom: 877 80F-H N 8.48 ambi=1 { N:110.8 } atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } ::sumAvg: 3.945 atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } atom: 877 80F-H N 8.48 ambi=1 { N:110.8 } ::sumAvg: 3.945 atom: 877 80F-H N 8.48 ambi=1 { N:110.8 } atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } :: atom: 877 80F-H N 8.48 ambi=1 { N:110.8 } atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } ::sumAvg: 4.08 atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } ::sumAvg: 3.735 atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } atom: 912 82E-HA A 4.07 ambi=1 { CA:60.4 } ::sumAvg: 4.76 atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 4.09 atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } atom: 915 82E-QG G 2.42 ambi=2 { CG:37.1 } ::sumAvg: 4.96 atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } ::sumAvg: 4.555 atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.65 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } ::sumAvg: 3.5 atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } ::sumAvg: 4.575 atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } ::sumAvg: 4.765 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } ::sumAvg: 2.95 atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } ::sumAvg: 4.825 atom: 963 86N-HD21 D2 7.44 ambi=1 { ND2:110.7 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } ::sumAvg: 4.355 atom: 1346 120L-H N 8.31 ambi=1 { N:120 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } ::sumAvg: 4.475 atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } atom: 924 83P-HG2 G 1.3 ambi=2 { CG:27.8 } :: atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } atom: 925 83P-HG3 G 1.61 ambi=2 { CG:27.8 } ::sumAvg: 4.385 atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } atom: 933 84F-H N 7.04 ambi=1 { N:113.9 } ::sumAvg: 4.59 atom: 933 84F-H N 7.04 ambi=1 { N:113.9 } atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } ::sumAvg: 4.59 atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } ::sumAvg: 4.865 atom: 933 84F-H N 7.04 ambi=1 { N:113.9 } atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } ::sumAvg: 4.965 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } :: atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } ::sumAvg: 4.58 atom: 945 85I-H N 8.29 ambi=1 { N:118.2 } atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } ::sumAvg: 3.695 atom: 945 85I-H N 8.29 ambi=1 { N:118.2 } atom: 947 85I-HB B 2.1 ambi=1 { CB:38.4 } ::sumAvg: 3.16 atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } atom: 945 85I-H N 8.29 ambi=1 { N:118.2 } ::sumAvg: 4.405 atom: 945 85I-H N 8.29 ambi=1 { N:118.2 } atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } ::sumAvg: 4.145 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 945 85I-H N 8.29 ambi=1 { N:118.2 } ::sumAvg: 4.145 atom: 945 85I-H N 8.29 ambi=1 { N:118.2 } atom: 985 88R-HD2 D 3 ambi=2 { CD:42.8 } :: atom: 945 85I-H N 8.29 ambi=1 { N:118.2 } atom: 986 88R-HD3 D 3.23 ambi=2 { CD:42.8 } ::sumAvg: 4.89 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } ::sumAvg: 4.8 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 947 85I-HB B 2.1 ambi=1 { CB:38.4 } ::sumAvg: 4.54 atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } atom: 948 85I-QG1 G1 1.36 ambi=2 { CG1:26.9 } ::sumAvg: 2.92 atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } ::sumAvg: 3.665 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } ::sumAvg: 3.555 atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } ::sumAvg: 4.77 atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } ::sumAvg: 3.36 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } ::sumAvg: 4.005 atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } ::sumAvg: 4.83 atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } atom: 963 86N-HD21 D2 7.44 ambi=1 { ND2:110.7 } :: atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } atom: 964 86N-HD22 D2 6.89 ambi=1 { ND2:110.7 } ::sumAvg: 3.44 atom: 963 86N-HD21 D2 7.44 ambi=1 { ND2:110.7 } atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } :: atom: 964 86N-HD22 D2 6.89 ambi=1 { ND2:110.7 } atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } ::sumAvg: 3.44 atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } ::sumAvg: 4.37 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } ::sumAvg: 4.37 atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } ::sumAvg: 4.76 atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } ::sumAvg: 4.76 atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.37 atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } ::sumAvg: 4.755 atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } ::sumAvg: 3.97 atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } :: atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } ::sumAvg: 4.93 atom: 963 86N-HD21 D2 7.44 ambi=1 { ND2:110.7 } atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } ::sumAvg: 4.575 atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } atom: 963 86N-HD21 D2 7.44 ambi=1 { ND2:110.7 } ::sumAvg: 4.575 atom: 963 86N-HD21 D2 7.44 ambi=1 { ND2:110.7 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.675 atom: 964 86N-HD22 D2 6.89 ambi=1 { ND2:110.7 } atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } ::sumAvg: 4.56 atom: 963 86N-HD21 D2 7.44 ambi=1 { ND2:110.7 } atom: 1320 116S-HA A 4.13 ambi=1 { CA:61.8 } :: atom: 964 86N-HD22 D2 6.89 ambi=1 { ND2:110.7 } atom: 1320 116S-HA A 4.13 ambi=1 { CA:61.8 } ::sumAvg: 4.49 atom: 964 86N-HD22 D2 6.89 ambi=1 { ND2:110.7 } atom: 1321 116S-HB2 B 3.74 ambi=2 { CB:62.9 } :: atom: 964 86N-HD22 D2 6.89 ambi=1 { ND2:110.7 } atom: 1322 116S-HB3 B 3.85 ambi=2 { CB:62.9 } ::sumAvg: 4.875 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } ::sumAvg: 2.735 atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } :: atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } ::sumAvg: 4.875 atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.69 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 985 88R-HD2 D 3 ambi=2 { CD:42.8 } :: atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 986 88R-HD3 D 3.23 ambi=2 { CD:42.8 } ::sumAvg: 4.37 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.935 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4 atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } ::sumAvg: 3.9 atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } ::sumAvg: 3.9 atom: 987 88R-HE E 6.93 ambi=1 { NE:84.2 } atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } ::sumAvg: 3.915 atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } ::sumAvg: 4.2 atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } ::sumAvg: 3.42 atom: 987 88R-HE E 6.93 ambi=1 { NE:84.2 } atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } :: atom: 987 88R-HE E 6.93 ambi=1 { NE:84.2 } atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } ::sumAvg: 3.27 atom: 987 88R-HE E 6.93 ambi=1 { NE:84.2 } atom: 983 88R-HG2 G 1.37 ambi=2 { CG:26.9 } :: atom: 987 88R-HE E 6.93 ambi=1 { NE:84.2 } atom: 984 88R-HG3 G 1.57 ambi=2 { CG:26.9 } ::sumAvg: 2.575 atom: 987 88R-HE E 6.93 ambi=1 { NE:84.2 } atom: 985 88R-HD2 D 3 ambi=2 { CD:42.8 } :: atom: 987 88R-HE E 6.93 ambi=1 { NE:84.2 } atom: 986 88R-HD3 D 3.23 ambi=2 { CD:42.8 } ::sumAvg: 2.535 atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } ::sumAvg: 4.44 atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } ::sumAvg: 4.8 atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.595 atom: 1026 92L-H N 8.18 ambi=1 { N:117.9 } atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 3.41 atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.75 atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.49 atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } :: atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } ::sumAvg: 4.76 atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } atom: 1026 92L-H N 8.18 ambi=1 { N:117.9 } ::sumAvg: 4.1 atom: 1026 92L-H N 8.18 ambi=1 { N:117.9 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } ::sumAvg: 4.1 atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } ::sumAvg: 4.755 atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } ::sumAvg: 4.755 atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } ::sumAvg: 4.775 atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } ::sumAvg: 3.555 atom: 1026 92L-H N 8.18 ambi=1 { N:117.9 } atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } ::sumAvg: 4.5 atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } ::sumAvg: 3.665 atom: 1047 94F-H N 8.3 ambi=1 { N:118.9 } atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } ::sumAvg: 4.195 atom: 1047 94F-H N 8.3 ambi=1 { N:118.9 } atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } ::sumAvg: 4.595 atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } :: atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } ::sumAvg: 4.97 atom: 1047 94F-H N 8.3 ambi=1 { N:118.9 } atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } :: atom: 1047 94F-H N 8.3 ambi=1 { N:118.9 } atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } ::sumAvg: 4.495 atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } atom: 1019 91E-HG2 G 2.05 ambi=2 { CG:36 } :: atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } atom: 1020 91E-HG3 G 2.36 ambi=2 { CG:36 } ::sumAvg: 3.215 atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } atom: 1028 92L-HB2 B 0.85 ambi=2 { CB:42.7 } :: atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } atom: 1029 92L-HB3 B 2.01 ambi=2 { CB:42.7 } ::sumAvg: 4.805 atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } ::sumAvg: 4.87 atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 4.94 atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } :: atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } ::sumAvg: 4.865 atom: 1073 95R-HE E 7.61 ambi=1 { NE:84.3 } atom: 1027 92L-HA A 3.6 ambi=1 { CA:57.7 } ::sumAvg: 4.95 atom: 1065 95R-H N 7.85 ambi=1 { N:116.9 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 1065 95R-H N 7.85 ambi=1 { N:116.9 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } ::sumAvg: 4.75 atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } ::sumAvg: 4.59 atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } ::sumAvg: 4.635 atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 4.97 atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } ::sumAvg: 4.95 atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } :: atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } ::sumAvg: 4.295 atom: 1065 95R-H N 7.85 ambi=1 { N:116.9 } atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.445 atom: 1047 94F-H N 8.3 ambi=1 { N:118.9 } atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } :: atom: 1047 94F-H N 8.3 ambi=1 { N:118.9 } atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } ::sumAvg: 4.385 atom: 1047 94F-H N 8.3 ambi=1 { N:118.9 } atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } :: atom: 1047 94F-H N 8.3 ambi=1 { N:118.9 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } ::sumAvg: 3.87 atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } ::sumAvg: 4.835 atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } ::sumAvg: 4.965 atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } ::sumAvg: 4.89 atom: 1065 95R-H N 7.85 ambi=1 { N:116.9 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 4.32 atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 4.785 atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } ::sumAvg: 4.85 atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } ::sumAvg: 4.77 atom: 1065 95R-H N 7.85 ambi=1 { N:116.9 } atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } ::sumAvg: 4.445 atom: 1065 95R-H N 7.85 ambi=1 { N:116.9 } atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } ::sumAvg: 4.93 atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } atom: 1065 95R-H N 7.85 ambi=1 { N:116.9 } ::sumAvg: 4.93 atom: 1073 95R-HE E 7.61 ambi=1 { NE:84.3 } atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } ::sumAvg: 4.835 atom: 1091 97I-H N 8.18 ambi=1 { N:115.1 } atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } ::sumAvg: 4.48 atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } ::sumAvg: 4.495 atom: 1073 95R-HE E 7.61 ambi=1 { NE:84.3 } atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } ::sumAvg: 3.145 atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } ::sumAvg: 4.705 atom: 1125 100R-H N 7.4 ambi=1 { N:114 } atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } ::sumAvg: 4.735 atom: 1141 101G-H N 8.32 ambi=1 { N:103.8 } atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } ::sumAvg: 4.585 atom: 1073 95R-HE E 7.61 ambi=1 { NE:84.3 } atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } :: atom: 1073 95R-HE E 7.61 ambi=1 { NE:84.3 } atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } ::sumAvg: 2.875 atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } :: atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } ::sumAvg: 3.76 atom: 1073 95R-HE E 7.61 ambi=1 { NE:84.3 } atom: 1071 95R-QD D 2.89 ambi=2 { CD:43.4 } ::sumAvg: 2.34 atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } atom: 1085 96H-HD2 D2 7.31 ambi=1 { CD2:119.9 } ::sumAvg: 4.545 atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } ::sumAvg: 4.595 atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } ::sumAvg: 4.145 atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } ::sumAvg: 4.145 atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } atom: 1082 96H-HA A 4.34 ambi=1 { CA:57.8 } ::sumAvg: 4.52 atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } ::sumAvg: 4.965 atom: 1091 97I-H N 8.18 ambi=1 { N:115.1 } atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } :: atom: 1091 97I-H N 8.18 ambi=1 { N:115.1 } atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } ::sumAvg: 4.795 atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } ::sumAvg: 4.545 atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } ::sumAvg: 4.89 atom: 1416 127L-H N 7.7 ambi=1 { N:116.3 } atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } ::sumAvg: 4.54 atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } ::sumAvg: 3.62 atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } atom: 1125 100R-H N 7.4 ambi=1 { N:114 } ::sumAvg: 3.905 atom: 1125 100R-H N 7.4 ambi=1 { N:114 } atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } ::sumAvg: 4.575 atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } ::sumAvg: 4.92 atom: 1125 100R-H N 7.4 ambi=1 { N:114 } atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } :: atom: 1125 100R-H N 7.4 ambi=1 { N:114 } atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } ::sumAvg: 4.58 atom: 1133 100R-HE E 9.56 ambi=1 { NE:86.1 } atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } ::sumAvg: 3.84 atom: 1133 100R-HE E 9.56 ambi=1 { NE:86.1 } atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } ::sumAvg: 2.945 atom: 1133 100R-HE E 9.56 ambi=1 { NE:86.1 } atom: 1129 100R-HG2 G 1.06 ambi=2 { CG:26.1 } :: atom: 1133 100R-HE E 9.56 ambi=1 { NE:86.1 } atom: 1130 100R-HG3 G 1.2 ambi=2 { CG:26.1 } ::sumAvg: 2.945 atom: 1133 100R-HE E 9.56 ambi=1 { NE:86.1 } atom: 1131 100R-HD2 D 2.72 ambi=2 { CD:43.3 } :: atom: 1133 100R-HE E 9.56 ambi=1 { NE:86.1 } atom: 1132 100R-HD3 D 2.94 ambi=2 { CD:43.3 } ::sumAvg: 2.555 atom: 1133 100R-HE E 9.56 ambi=1 { NE:86.1 } atom: 1141 101G-H N 8.32 ambi=1 { N:103.8 } ::sumAvg: 4.265 atom: 1141 101G-H N 8.32 ambi=1 { N:103.8 } atom: 1133 100R-HE E 9.56 ambi=1 { NE:86.1 } ::sumAvg: 4.265 atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } atom: 1147 102P-HB2 B 1.16 ambi=2 { CB:31.8 } :: atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } atom: 1148 102P-HB3 B 1.44 ambi=2 { CB:31.8 } ::sumAvg: 4.09 atom: 1158 103S-H N 9.66 ambi=1 { N:117.2 } atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } ::sumAvg: 4.995 atom: 1158 103S-H N 9.66 ambi=1 { N:117.2 } atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } ::sumAvg: 3.88 atom: 1158 103S-H N 9.66 ambi=1 { N:117.2 } atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } :: atom: 1158 103S-H N 9.66 ambi=1 { N:117.2 } atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } ::sumAvg: 4.525 atom: 1158 103S-H N 9.66 ambi=1 { N:117.2 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1158 103S-H N 9.66 ambi=1 { N:117.2 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.22 atom: 1166 104S-H N 7.37 ambi=1 { N:113.1 } atom: 1174 105R-H N 9.09 ambi=1 { N:121.8 } ::sumAvg: 4.435 atom: 1174 105R-H N 9.09 ambi=1 { N:121.8 } atom: 1166 104S-H N 7.37 ambi=1 { N:113.1 } ::sumAvg: 4.435 atom: 1201 107E-H N 8.15 ambi=1 { N:122.9 } atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } ::sumAvg: 4.74 atom: 1174 105R-H N 9.09 ambi=1 { N:121.8 } atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } ::sumAvg: 4.16 atom: 1201 107E-H N 8.15 ambi=1 { N:122.9 } atom: 1174 105R-H N 9.09 ambi=1 { N:121.8 } ::sumAvg: 4.295 atom: 1174 105R-H N 9.09 ambi=1 { N:121.8 } atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } ::sumAvg: 4.74 atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } atom: 1174 105R-H N 9.09 ambi=1 { N:121.8 } ::sumAvg: 4.74 atom: 1182 105R-HE E 7.21 ambi=1 { NE:84.3 } atom: 1176 105R-HB2 B 1.79 ambi=2 { CB:29.6 } :: atom: 1182 105R-HE E 7.21 ambi=1 { NE:84.3 } atom: 1177 105R-HB3 B 1.86 ambi=2 { CB:29.6 } ::sumAvg: 3.375 atom: 1182 105R-HE E 7.21 ambi=1 { NE:84.3 } atom: 1178 105R-HG2 G 1.61 ambi=2 { CG:27.1 } :: atom: 1182 105R-HE E 7.21 ambi=1 { NE:84.3 } atom: 1179 105R-HG3 G 1.69 ambi=2 { CG:27.1 } ::sumAvg: 2.865 atom: 1182 105R-HE E 7.21 ambi=1 { NE:84.3 } atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } ::sumAvg: 2.34 atom: 1190 106E-H N 8.78 ambi=1 { N:119.8 } atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } ::sumAvg: 3.905 atom: 1228 109Q-HE21 E2 7.44 ambi=2 { NE2:111.9 } atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } :: atom: 1229 109Q-HE22 E2 6.86 ambi=2 { NE2:111.9 } atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } ::sumAvg: 4.195 atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } atom: 1190 106E-H N 8.78 ambi=1 { N:119.8 } ::sumAvg: 4.245 atom: 1190 106E-H N 8.78 ambi=1 { N:119.8 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1190 106E-H N 8.78 ambi=1 { N:119.8 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.925 atom: 1190 106E-H N 8.78 ambi=1 { N:119.8 } atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } ::sumAvg: 4.785 atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } atom: 1190 106E-H N 8.78 ambi=1 { N:119.8 } ::sumAvg: 4.785 atom: 1201 107E-H N 8.15 ambi=1 { N:122.9 } atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } ::sumAvg: 4.59 atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } atom: 1202 107E-HA A 4.24 ambi=1 { CA:60.1 } ::sumAvg: 4.635 atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } ::sumAvg: 4.675 atom: 1237 110K-H N 7.99 ambi=1 { N:120.4 } atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } ::sumAvg: 4.47 atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } ::sumAvg: 3.94 atom: 1270 112F-H N 9.71 ambi=1 { N:125 } atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } ::sumAvg: 4.115 atom: 1228 109Q-HE21 E2 7.44 ambi=2 { NE2:111.9 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1229 109Q-HE22 E2 6.86 ambi=2 { NE2:111.9 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1228 109Q-HE21 E2 7.44 ambi=2 { NE2:111.9 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } :: atom: 1229 109Q-HE22 E2 6.86 ambi=2 { NE2:111.9 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.44 atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.975 atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } atom: 1228 109Q-HE21 E2 7.44 ambi=2 { NE2:111.9 } :: atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } atom: 1229 109Q-HE22 E2 6.86 ambi=2 { NE2:111.9 } ::sumAvg: 4.455 atom: 1228 109Q-HE21 E2 7.44 ambi=2 { NE2:111.9 } atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } :: atom: 1229 109Q-HE22 E2 6.86 ambi=2 { NE2:111.9 } atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } ::sumAvg: 4.455 atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } ::sumAvg: 4.36 atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } ::sumAvg: 4.625 atom: 1270 112F-H N 9.71 ambi=1 { N:125 } atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } ::sumAvg: 4.625 atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } :: atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } ::sumAvg: 4.745 atom: 1286 113S-H N 8.1 ambi=1 { N:116.2 } atom: 1224 109Q-QB B 2.14 ambi=2 { CB:28.2 } ::sumAvg: 4.98 atom: 1237 110K-H N 7.99 ambi=1 { N:120.4 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 4.845 atom: 1270 112F-H N 9.71 ambi=1 { N:125 } atom: 1237 110K-H N 7.99 ambi=1 { N:120.4 } ::sumAvg: 3.825 atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } atom: 1243 110K-HD2 D 1.54 ambi=2 { CD:29.7 } :: atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } atom: 1244 110K-HD3 D 1.62 ambi=2 { CD:29.7 } ::sumAvg: 4.21 atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } :: atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } ::sumAvg: 4.635 atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } ::sumAvg: 4.77 atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } ::sumAvg: 4.77 atom: 1270 112F-H N 9.71 ambi=1 { N:125 } atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } ::sumAvg: 3.46 atom: 1286 113S-H N 8.1 ambi=1 { N:116.2 } atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } ::sumAvg: 4.045 atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } ::sumAvg: 4.06 atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 4.46 atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 4.255 atom: 1416 127L-H N 7.7 ambi=1 { N:116.3 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } ::sumAvg: 4.505 atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } ::sumAvg: 3.96 atom: 1270 112F-H N 9.71 ambi=1 { N:125 } atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } ::sumAvg: 4.775 atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } ::sumAvg: 4.775 atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } ::sumAvg: 4.2 atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } ::sumAvg: 3.52 atom: 1319 116S-H N 8.34 ambi=1 { N:117.7 } atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } ::sumAvg: 4.21 atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } :: atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } ::sumAvg: 4.93 atom: 1286 113S-H N 8.1 ambi=1 { N:116.2 } atom: 1297 114I-HG12 G1 0.97 ambi=2 { CG1:28.7 } :: atom: 1286 113S-H N 8.1 ambi=1 { N:116.2 } atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } ::sumAvg: 4.09 atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } ::sumAvg: 3.495 atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } ::sumAvg: 4.605 atom: 1319 116S-H N 8.34 ambi=1 { N:117.7 } atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } ::sumAvg: 3.52 atom: 1327 117S-H N 7.57 ambi=1 { N:113.2 } atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } ::sumAvg: 4.02 atom: 1327 117S-H N 7.57 ambi=1 { N:113.2 } atom: 1288 113S-QB B 4.05 ambi=2 { CB:62.6 } ::sumAvg: 4.91 atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } :: atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } ::sumAvg: 3.92 atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } atom: 1327 117S-H N 7.57 ambi=1 { N:113.2 } ::sumAvg: 4.695 atom: 1327 117S-H N 7.57 ambi=1 { N:113.2 } atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } ::sumAvg: 4.695 atom: 1335 118G-H N 8.36 ambi=1 { N:107.8 } atom: 1295 114I-HA A 3.75 ambi=1 { CA:65.3 } ::sumAvg: 3.53 atom: 1319 116S-H N 8.34 ambi=1 { N:117.7 } atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } ::sumAvg: 4.755 atom: 1341 119G-H N 8.23 ambi=1 { N:110.5 } atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } ::sumAvg: 4.31 atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } atom: 1327 117S-H N 7.57 ambi=1 { N:113.2 } ::sumAvg: 4.2 atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } ::sumAvg: 4.975 atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } ::sumAvg: 3.745 atom: 1319 116S-H N 8.34 ambi=1 { N:117.7 } atom: 1309 115V-HA A 3.92 ambi=1 { CA:64.8 } ::sumAvg: 3.455 atom: 1319 116S-H N 8.34 ambi=1 { N:117.7 } atom: 1310 115V-HB B 2.19 ambi=1 { CB:31.8 } ::sumAvg: 4.11 atom: 1346 120L-H N 8.31 ambi=1 { N:120 } atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } :: atom: 1346 120L-H N 8.31 ambi=1 { N:120 } atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } ::sumAvg: 3.49 atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } :: atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } ::sumAvg: 4.98 atom: 1327 117S-H N 7.57 ambi=1 { N:113.2 } atom: 1341 119G-H N 8.23 ambi=1 { N:110.5 } ::sumAvg: 3.895 atom: 1335 118G-H N 8.36 ambi=1 { N:107.8 } atom: 1328 117S-HA A 4.5 ambi=1 { CA:59.9 } ::sumAvg: 3.565 atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } atom: 1336 118G-HA2 A 3.56 ambi=2 { CA:45.5 } :: atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } ::sumAvg: 4.525 atom: 1341 119G-H N 8.23 ambi=1 { N:110.5 } atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } ::sumAvg: 4.445 atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } atom: 1341 119G-H N 8.23 ambi=1 { N:110.5 } ::sumAvg: 4.445 atom: 1341 119G-H N 8.23 ambi=1 { N:110.5 } atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } ::sumAvg: 4.655 atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } atom: 1341 119G-H N 8.23 ambi=1 { N:110.5 } ::sumAvg: 4.655 atom: 1346 120L-H N 8.31 ambi=1 { N:120 } atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } ::sumAvg: 4.23 atom: 1346 120L-H N 8.31 ambi=1 { N:120 } atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } ::sumAvg: 4.28 atom: 1346 120L-H N 8.31 ambi=1 { N:120 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } ::sumAvg: 4.985 atom: 1346 120L-H N 8.31 ambi=1 { N:120 } atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } ::sumAvg: 4.94 atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } atom: 1347 120L-HA A 3.8 ambi=1 { CA:58.8 } ::sumAvg: 4.245 atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } atom: 1347 120L-HA A 3.8 ambi=1 { CA:58.8 } ::sumAvg: 4.12 atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } ::sumAvg: 4.425 atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } ::sumAvg: 4.56 atom: 1401 125D-H N 7.91 ambi=1 { N:117.4 } atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } ::sumAvg: 4.045 atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } ::sumAvg: 4.27 atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } :: atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } ::sumAvg: 4.875 atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } atom: 1401 125D-H N 7.91 ambi=1 { N:117.4 } ::sumAvg: 4.715 atom: 1401 125D-H N 7.91 ambi=1 { N:117.4 } atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } ::sumAvg: 4.715 atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } ::sumAvg: 3.52 atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } ::sumAvg: 4.49 atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } ::sumAvg: 4.03 atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } ::sumAvg: 4.58 atom: 1401 125D-H N 7.91 ambi=1 { N:117.4 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } ::sumAvg: 4.61 atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } ::sumAvg: 4.585 atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } ::sumAvg: 4.435 atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } atom: 1392 124V-HB B 1.73 ambi=1 { CB:31.7 } ::sumAvg: 4.815 atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } ::sumAvg: 4.845 atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } ::sumAvg: 3.59 atom: 1416 127L-H N 7.7 ambi=1 { N:116.3 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } ::sumAvg: 4.325 atom: 1416 127L-H N 7.7 ambi=1 { N:116.3 } atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } ::sumAvg: 4.71 atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } :: atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } ::sumAvg: 4.03 atom: 1416 127L-H N 7.7 ambi=1 { N:116.3 } atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } :: atom: 1416 127L-H N 7.7 ambi=1 { N:116.3 } atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } ::sumAvg: 4.365 atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } ::sumAvg: 4.895 atom: 1416 127L-H N 7.7 ambi=1 { N:116.3 } atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } ::sumAvg: 4.86 atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } :: atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } ::sumAvg: 4.74 atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } ::sumAvg: 4.465 atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } ::sumAvg: 4.105 atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } atom: 1392 124V-HB B 1.73 ambi=1 { CB:31.7 } ::sumAvg: 4.975 atom: 1401 125D-H N 7.91 ambi=1 { N:117.4 } atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } ::sumAvg: 4.85 atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } atom: 1401 125D-H N 7.91 ambi=1 { N:117.4 } ::sumAvg: 4.85 atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } :: atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } ::sumAvg: 4.9 atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } ::sumAvg: 4.305 atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } ::sumAvg: 4.855 atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } ::sumAvg: 4.63 atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } ::sumAvg: 4.92 atom: 1416 127L-H N 7.7 ambi=1 { N:116.3 } atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } ::sumAvg: 4.9 atom: 1416 127L-H N 7.7 ambi=1 { N:116.3 } atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } ::sumAvg: 3.995 atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } :: atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } ::sumAvg: 4.955 atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } :: atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } ::sumAvg: 4.72 atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } atom: 1449 130S-H N 7.34 ambi=1 { N:117.1 } ::sumAvg: 4.075 atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } atom: 1450 130S-HA A 4.26 ambi=1 { CA:59.1 } ::sumAvg: 4.915 atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } :: atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } ::sumAvg: 4.655 atom: 1449 130S-H N 7.34 ambi=1 { N:117.1 } atom: 1484 133Y-H N 7.95 ambi=1 { N:120.3 } ::sumAvg: 4.925 atom: 1449 130S-H N 7.34 ambi=1 { N:117.1 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } ::sumAvg: 4.835 atom: 1484 133Y-H N 7.95 ambi=1 { N:120.3 } atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } :: atom: 1484 133Y-H N 7.95 ambi=1 { N:120.3 } atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } ::sumAvg: 3.095 atom: 1496 134A-H N 7.68 ambi=1 { N:122.2 } atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } :: atom: 1496 134A-H N 7.68 ambi=1 { N:122.2 } atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } ::sumAvg: 4.44 atom: 1458 131Q-H N 8.98 ambi=1 { N:124.6 } atom: 1453 130S-HG G 5.64 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.015 atom: 1473 132E-H N 8.32 ambi=1 { N:118.5 } atom: 1453 130S-HG G 5.64 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.985 atom: 1458 131Q-H N 8.98 ambi=1 { N:124.6 } atom: 1464 131Q-HE21 E2 8.07 ambi=1 { NE2:116.9 } ::sumAvg: 4.215 atom: 1458 131Q-H N 8.98 ambi=1 { N:124.6 } atom: 1484 133Y-H N 7.95 ambi=1 { N:120.3 } ::sumAvg: 4.405 atom: 1484 133Y-H N 7.95 ambi=1 { N:120.3 } atom: 1458 131Q-H N 8.98 ambi=1 { N:124.6 } ::sumAvg: 4.405 atom: 1458 131Q-H N 8.98 ambi=1 { N:124.6 } atom: 1496 134A-H N 7.68 ambi=1 { N:122.2 } ::sumAvg: 4.685 atom: 1496 134A-H N 7.68 ambi=1 { N:122.2 } atom: 1458 131Q-H N 8.98 ambi=1 { N:124.6 } ::sumAvg: 4.685 atom: 1484 133Y-H N 7.95 ambi=1 { N:120.3 } atom: 1459 131Q-HA A 3.97 ambi=1 { CA:57.9 } ::sumAvg: 4.44 atom: 1464 131Q-HE21 E2 8.07 ambi=1 { NE2:116.9 } atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } ::sumAvg: 4.78 atom: 1464 131Q-HE21 E2 8.07 ambi=1 { NE2:116.9 } atom: 1505 135D-HB2 B 2.18 ambi=2 { CB:40.5 } :: atom: 1464 131Q-HE21 E2 8.07 ambi=1 { NE2:116.9 } atom: 1506 135D-HB3 B 2.7 ambi=2 { CB:40.5 } ::sumAvg: 4.9 atom: 1496 134A-H N 7.68 ambi=1 { N:122.2 } atom: 1473 132E-H N 8.32 ambi=1 { N:118.5 } ::sumAvg: 4 atom: 1473 132E-H N 8.32 ambi=1 { N:118.5 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } ::sumAvg: 4.655 atom: 1473 132E-H N 8.32 ambi=1 { N:118.5 } atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } ::sumAvg: 4.88 atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } atom: 1473 132E-H N 8.32 ambi=1 { N:118.5 } ::sumAvg: 4.88 atom: 1496 134A-H N 7.68 ambi=1 { N:122.2 } atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } ::sumAvg: 4.485 atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } ::sumAvg: 3.82 atom: 1511 136Y-H N 7.65 ambi=1 { N:115.7 } atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } ::sumAvg: 3.965 atom: 1484 133Y-H N 7.95 ambi=1 { N:120.3 } atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } ::sumAvg: 4.23 atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } ::sumAvg: 4.46 atom: 1511 136Y-H N 7.65 ambi=1 { N:115.7 } atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } ::sumAvg: 3.675 atom: 1511 136Y-H N 7.65 ambi=1 { N:115.7 } atom: 1497 134A-HA A 4 ambi=1 { CA:55.7 } ::sumAvg: 4.605 atom: 1511 136Y-H N 7.65 ambi=1 { N:115.7 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } ::sumAvg: 4.515 atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } :: atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } ::sumAvg: 4.58 atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } atom: 1527 137F-H N 8.25 ambi=1 { N:119.3 } ::sumAvg: 4.52 atom: 1527 137F-H N 8.25 ambi=1 { N:119.3 } atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } ::sumAvg: 4.52 atom: 1527 137F-H N 8.25 ambi=1 { N:119.3 } atom: 1504 135D-HA A 4.16 ambi=1 { CA:56.7 } ::sumAvg: 4.675 atom: 1537 138G-H N 8.11 ambi=1 { N:107.6 } atom: 1512 136Y-HA A 3.85 ambi=1 { CA:61.4 } ::sumAvg: 4.715 atom: 1537 138G-H N 8.11 ambi=1 { N:107.6 } atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } :: atom: 1537 138G-H N 8.11 ambi=1 { N:107.6 } atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } ::sumAvg: 4.77 atom: 1537 138G-H N 8.11 ambi=1 { N:107.6 } atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } ::sumAvg: 4.94 atom: 1543 139E-H N 8.64 ambi=1 { N:119.1 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } ::sumAvg: 4.895 atom: 1543 139E-H N 8.64 ambi=1 { N:119.1 } atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } :: atom: 1543 139E-H N 8.64 ambi=1 { N:119.1 } atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } ::sumAvg: 4.475 atom: 1543 139E-H N 8.64 ambi=1 { N:119.1 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } ::sumAvg: 3.875 atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } ::sumAvg: 3.985 atom: 1554 140E-H N 8.25 ambi=1 { N:111.2 } atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } ::sumAvg: 4.915 atom: 1554 140E-H N 8.25 ambi=1 { N:111.2 } atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } ::sumAvg: 4.98 atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } :: atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } ::sumAvg: 3.485 atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } ::sumAvg: 4.515 atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } ::sumAvg: 3.495 atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } atom: 1589 143P-HD2 D 3.04 ambi=2 { CD:50.9 } :: atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } atom: 1590 143P-HD3 D 3.83 ambi=2 { CD:50.9 } ::sumAvg: 4.57 atom: 1612 145L-H N 8.18 ambi=1 { N:117.4 } atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } ::sumAvg: 4.75 atom: 1596 144Y-H N 5.7 ambi=1 { N:114.6 } atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } ::sumAvg: 4.89 atom: 1626 146R-H N 8.98 ambi=1 { N:126.3 } atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } ::sumAvg: 4.275 atom: 1626 146R-H N 8.98 ambi=1 { N:126.3 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 3.84 atom: 1612 145L-H N 8.18 ambi=1 { N:117.4 } atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } ::sumAvg: 4.975 atom: 1626 146R-H N 8.98 ambi=1 { N:126.3 } atom: 1643 147G-HA2 A 3.93 ambi=2 { CA:45.2 } :: atom: 1626 146R-H N 8.98 ambi=1 { N:126.3 } atom: 1644 147G-HA3 A 4.07 ambi=2 { CA:45.2 } ::sumAvg: 4.715 atom: 1634 146R-HE E 6.4 ambi=1 { NE:82.3 } atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } ::sumAvg: 4.415 atom: 1634 146R-HE E 6.4 ambi=1 { NE:82.3 } atom: 1628 146R-HB2 B 1.47 ambi=2 { CB:31.7 } :: atom: 1634 146R-HE E 6.4 ambi=1 { NE:82.3 } atom: 1629 146R-HB3 B 2.01 ambi=2 { CB:31.7 } ::sumAvg: 3.28 atom: 1634 146R-HE E 6.4 ambi=1 { NE:82.3 } atom: 1630 146R-HG2 G 1.65 ambi=2 { CG:26.2 } :: atom: 1634 146R-HE E 6.4 ambi=1 { NE:82.3 } atom: 1631 146R-HG3 G 1.72 ambi=2 { CG:26.2 } ::sumAvg: 2.855 atom: 1634 146R-HE E 6.4 ambi=1 { NE:82.3 } atom: 1632 146R-HD2 D 2.57 ambi=2 { CD:43.7 } :: atom: 1634 146R-HE E 6.4 ambi=1 { NE:82.3 } atom: 1633 146R-HD3 D 2.93 ambi=2 { CD:43.7 } ::sumAvg: 2.53 atom: 1642 147G-H N 8.46 ambi=1 { N:109 } atom: 1632 146R-HD2 D 2.57 ambi=2 { CD:43.7 } :: atom: 1642 147G-H N 8.46 ambi=1 { N:109 } atom: 1633 146R-HD3 D 2.93 ambi=2 { CD:43.7 } ::sumAvg: 4.555 atom: 1662 149E-H N 8.55 ambi=1 { N:121.4 } atom: 1643 147G-HA2 A 3.93 ambi=2 { CA:45.2 } :: atom: 1662 149E-H N 8.55 ambi=1 { N:121.4 } atom: 1644 147G-HA3 A 4.07 ambi=2 { CA:45.2 } ::sumAvg: 4.735 atom: 1648 148L-H N 8.3 ambi=1 { N:121.8 } atom: 1663 149E-HA A 4.17 ambi=1 { CA:56.6 } ::sumAvg: 4.875 atom: 1672 150H-H N 8.31 ambi=1 { N:120.1 } atom: 1650 148L-HB2 B 1.5 ambi=2 { CB:42.2 } :: atom: 1672 150H-H N 8.31 ambi=1 { N:120.1 } atom: 1651 148L-HB3 B 1.55 ambi=2 { CB:42.2 } ::sumAvg: 4.855 atom: 1662 149E-H N 8.55 ambi=1 { N:121.4 } atom: 1674 150H-QB B 2.97 ambi=2 { CB:30.4 } ::sumAvg: 4.985 atom: 1680 151H-H N 8.12 ambi=1 { N:125.4 } atom: 1663 149E-HA A 4.17 ambi=1 { CA:56.6 } ::sumAvg: 4.935 atom: 1680 151H-H N 8.12 ambi=1 { N:125.4 } atom: 1664 149E-HB2 B 1.85 ambi=2 { CB:30.2 } :: atom: 1680 151H-H N 8.12 ambi=1 { N:125.4 } atom: 1665 149E-HB3 B 1.9 ambi=2 { CB:30.2 } ::sumAvg: 4.845 # Missing interactons for c_aro.peaks atom: 84 14Y-QD D 6.96 ambi=3 { CD1:133.4 } atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } ::sumAvg: 4.1 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } ::sumAvg: 3.615 atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } ::sumAvg: 3.73 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 69 13K-QD D 1.5 ambi=2 { CD:29.6 } ::sumAvg: 4.45 atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } atom: 69 13K-QD D 1.5 ambi=2 { CD:29.6 } ::sumAvg: 3.165 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 67 13K-HG2 G 0.9 ambi=2 { CG:24.8 } :: atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 68 13K-HG3 G 1.11 ambi=2 { CG:24.8 } ::sumAvg: 4.92 atom: 86 14Y-QE E 6.69 ambi=3 { CE1:118.1 } atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } :: atom: 86 14Y-QE E 6.69 ambi=3 { CE1:118.1 } atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } ::sumAvg: 4.415 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 71 13K-QE E 2.72 ambi=2 { CE:42 } ::sumAvg: 4.48 atom: 86 14Y-QE E 6.69 ambi=3 { CE1:118.1 } atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } ::sumAvg: 4.5 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } ::sumAvg: 4.865 atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } ::sumAvg: 4.69 atom: 86 14Y-QE E 6.69 ambi=3 { CE1:118.1 } atom: 81 14Y-HA A 4.5 ambi=1 { CA:58.1 } ::sumAvg: 4.42 atom: 84 14Y-QD D 6.96 ambi=3 { CD1:133.4 } atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } ::sumAvg: 4.13 atom: 84 14Y-QD D 6.96 ambi=3 { CD1:133.4 } atom: 240 28V-H N 7.86 ambi=1 { N:120.5 } ::sumAvg: 4.165 atom: 84 14Y-QD D 6.96 ambi=3 { CD1:133.4 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.865 atom: 84 14Y-QD D 6.96 ambi=3 { CD1:133.4 } atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } ::sumAvg: 4.37 atom: 84 14Y-QD D 6.96 ambi=3 { CD1:133.4 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 84 14Y-QD D 6.96 ambi=3 { CD1:133.4 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 3.94 atom: 86 14Y-QE E 6.69 ambi=3 { CE1:118.1 } atom: 240 28V-H N 7.86 ambi=1 { N:120.5 } ::sumAvg: 4.975 atom: 86 14Y-QE E 6.69 ambi=3 { CE1:118.1 } atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } ::sumAvg: 4.12 atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } ::sumAvg: 4.69 atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } ::sumAvg: 4.725 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } ::sumAvg: 3.895 atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 253 29I-HB B 1.77 ambi=1 { CB:37.2 } ::sumAvg: 4.695 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } ::sumAvg: 3.45 atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } ::sumAvg: 3.32 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 4.41 atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 4.52 atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } ::sumAvg: 4.145 atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } ::sumAvg: 4.395 atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 269 30K-HG2 G 1.49 ambi=2 { CG:25.7 } :: atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 270 30K-HG3 G 1.59 ambi=2 { CG:25.7 } ::sumAvg: 4.18 atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 271 30K-QD D 1.63 ambi=2 { CD:29.4 } ::sumAvg: 4.85 atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 3.725 atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 4.335 atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } atom: 296 33Y-H N 7.94 ambi=1 { N:117.1 } ::sumAvg: 4.695 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 296 33Y-H N 7.94 ambi=1 { N:117.1 } ::sumAvg: 4.215 atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 4.41 atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 3.265 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 4.555 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 4.715 atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } :: atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } ::sumAvg: 4.38 atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } :: atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } ::sumAvg: 4.1 atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 4.425 atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } ::sumAvg: 4.525 atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 4.82 atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } :: atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } ::sumAvg: 4.53 atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } ::sumAvg: 4.405 atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } ::sumAvg: 3.14 atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 4.015 atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } ::sumAvg: 4.445 atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 4.445 atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 4.19 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 4.19 atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 2.425 atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } ::sumAvg: 4.4 atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } atom: 547 53E-HG2 G 2.12 ambi=2 { CG:37.9 } :: atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } ::sumAvg: 3.755 atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 3.045 atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } ::sumAvg: 4.57 atom: 1085 96H-HD2 D2 7.31 ambi=1 { CD2:119.9 } atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } ::sumAvg: 3.42 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } ::sumAvg: 4.065 atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } ::sumAvg: 3.22 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } ::sumAvg: 3.375 atom: 1085 96H-HD2 D2 7.31 ambi=1 { CD2:119.9 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } ::sumAvg: 4.735 atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } ::sumAvg: 4.925 atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 2.895 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 4.86 atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 350 37F-HA A 4.73 ambi=1 { CA:57.3 } ::sumAvg: 2.705 atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } :: atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } ::sumAvg: 4.63 atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } ::sumAvg: 3.57 atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } ::sumAvg: 3.59 atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 3.9 atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } ::sumAvg: 4.605 atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 4.505 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } ::sumAvg: 4.305 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } ::sumAvg: 4.385 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 4.35 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 497 49I-HD1 D1 0.79 ambi=1 { CD1:12.5 } ::sumAvg: 4.76 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } ::sumAvg: 3.94 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } :: atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } ::sumAvg: 2.695 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } ::sumAvg: 4.63 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } :: atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } ::sumAvg: 2.255 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } :: atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } ::sumAvg: 4.675 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 790 73S-HG G 6.24 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.385 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } ::sumAvg: 3.505 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 810 75L-HG G 1.26 ambi=1 { CG:27 } ::sumAvg: 4.045 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 3.635 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } ::sumAvg: 3.825 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } ::sumAvg: 4.12 atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 2.86 atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } ::sumAvg: 4.035 atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } ::sumAvg: 3.895 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } ::sumAvg: 4.395 atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } atom: 414 42T-H N 7.83 ambi=1 { N:115.9 } ::sumAvg: 3.155 atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } atom: 414 42T-H N 7.83 ambi=1 { N:115.9 } ::sumAvg: 3.37 atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } ::sumAvg: 4.435 atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } atom: 416 42T-HB B 4.22 ambi=1 { CB:70 } ::sumAvg: 4.015 atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } ::sumAvg: 3.99 atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } atom: 423 43K-H N 8.13 ambi=1 { N:119.9 } ::sumAvg: 4.485 atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } atom: 424 43K-HA A 4.03 ambi=1 { CA:57.8 } ::sumAvg: 4.86 atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } atom: 440 44A-H N 7.93 ambi=1 { N:121.3 } ::sumAvg: 4.35 atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } atom: 442 44A-HB B 1.16 ambi=1 { CB:18.7 } ::sumAvg: 4.05 atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } ::sumAvg: 4.98 atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } atom: 448 45Y-HA A 4.33 ambi=1 { CA:58.7 } ::sumAvg: 4.895 atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } ::sumAvg: 4.74 atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 4.8 atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } atom: 497 49I-HD1 D1 0.79 ambi=1 { CD1:12.5 } ::sumAvg: 4.015 atom: 517 51Y-QD D 7.13 ambi=3 { CD1:133.1 } atom: 484 48S-HA A 4.34 ambi=1 { CA:61.2 } ::sumAvg: 3.87 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } ::sumAvg: 4.785 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 4.215 atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 3.85 atom: 519 51Y-QE E 6.79 ambi=3 { CE1:118.3 } atom: 514 51Y-HA A 4.41 ambi=1 { CA:60.9 } ::sumAvg: 4.57 atom: 517 51Y-QD D 7.13 ambi=3 { CD1:133.1 } atom: 529 52L-H N 7.75 ambi=1 { N:121.9 } ::sumAvg: 3.51 atom: 517 51Y-QD D 7.13 ambi=3 { CD1:133.1 } atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } ::sumAvg: 3.785 atom: 517 51Y-QD D 7.13 ambi=3 { CD1:133.1 } atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } ::sumAvg: 3.485 atom: 517 51Y-QD D 7.13 ambi=3 { CD1:133.1 } atom: 566 55Q-HG2 G 2.03 ambi=2 { CG:34.8 } :: atom: 517 51Y-QD D 7.13 ambi=3 { CD1:133.1 } atom: 567 55Q-HG3 G 2.18 ambi=2 { CG:34.8 } ::sumAvg: 3.815 atom: 517 51Y-QD D 7.13 ambi=3 { CD1:133.1 } atom: 569 55Q-HE22 E2 6.47 ambi=2 { NE2:109.6 } ::sumAvg: 4.29 atom: 519 51Y-QE E 6.79 ambi=3 { CE1:118.3 } atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } ::sumAvg: 4.995 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 529 52L-H N 7.75 ambi=1 { N:121.9 } ::sumAvg: 4.635 atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } ::sumAvg: 4.265 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } ::sumAvg: 4.135 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } :: atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } ::sumAvg: 2.125 atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } :: atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } ::sumAvg: 4.415 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } ::sumAvg: 4.785 atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 3.665 atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 4.85 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 3.365 atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 4.83 atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } ::sumAvg: 4.535 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } ::sumAvg: 3.15 atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } ::sumAvg: 3.68 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 545 53E-HB2 B 2.18 ambi=2 { CB:29.5 } :: atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 546 53E-HB3 B 2.54 ambi=2 { CB:29.5 } ::sumAvg: 3.955 atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 545 53E-HB2 B 2.18 ambi=2 { CB:29.5 } :: atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 546 53E-HB3 B 2.54 ambi=2 { CB:29.5 } ::sumAvg: 4 atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } ::sumAvg: 4.45 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } ::sumAvg: 4.92 atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 3.84 atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } ::sumAvg: 3.86 atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } ::sumAvg: 4.785 atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } :: atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } ::sumAvg: 4.39 atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } ::sumAvg: 2.825 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } ::sumAvg: 3.555 atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 690 66F-H N 8.64 ambi=1 { N:122.9 } ::sumAvg: 4.11 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } ::sumAvg: 4.475 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } :: atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } ::sumAvg: 4.36 atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } ::sumAvg: 3.665 atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } :: atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } ::sumAvg: 3.26 atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } ::sumAvg: 3.85 atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } ::sumAvg: 4.06 atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } ::sumAvg: 4.74 atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } atom: 847 78K-HA A 4.04 ambi=1 { CA:59 } ::sumAvg: 4.77 atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } ::sumAvg: 3.915 atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } ::sumAvg: 4.755 atom: 883 80F-QE E 7.44 ambi=3 { CE1:131.3 } atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } :: atom: 883 80F-QE E 7.44 ambi=3 { CE1:131.3 } atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } ::sumAvg: 4.37 atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } :: atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } ::sumAvg: 3.905 atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } atom: 877 80F-H N 8.48 ambi=1 { N:110.8 } ::sumAvg: 3.5 atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } atom: 885 80F-HZ Z 6.21 ambi=1 { CZ:132.4 } ::sumAvg: 3.785 atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } ::sumAvg: 3.735 atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.52 atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } atom: 1028 92L-HB2 B 0.85 ambi=2 { CB:42.7 } :: atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } atom: 1029 92L-HB3 B 2.01 ambi=2 { CB:42.7 } ::sumAvg: 3.74 atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } atom: 1030 92L-HG G 1.48 ambi=1 { CG:27.4 } ::sumAvg: 4.945 atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } :: atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } ::sumAvg: 4.835 atom: 883 80F-QE E 7.44 ambi=3 { CE1:131.3 } atom: 885 80F-HZ Z 6.21 ambi=1 { CZ:132.4 } ::sumAvg: 2.185 atom: 883 80F-QE E 7.44 ambi=3 { CE1:131.3 } atom: 1028 92L-HB2 B 0.85 ambi=2 { CB:42.7 } :: atom: 883 80F-QE E 7.44 ambi=3 { CE1:131.3 } atom: 1029 92L-HB3 B 2.01 ambi=2 { CB:42.7 } ::sumAvg: 4.265 atom: 883 80F-QE E 7.44 ambi=3 { CE1:131.3 } atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } ::sumAvg: 4.995 atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } ::sumAvg: 4.555 atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } ::sumAvg: 4.555 atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } ::sumAvg: 3.445 atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } ::sumAvg: 3.4 atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } ::sumAvg: 4.68 atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } ::sumAvg: 3.505 atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } ::sumAvg: 3.62 atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } atom: 912 82E-HA A 4.07 ambi=1 { CA:60.4 } ::sumAvg: 3.58 atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 3.63 atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } atom: 915 82E-QG G 2.42 ambi=2 { CG:37.1 } ::sumAvg: 4.13 atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } :: atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } ::sumAvg: 4.76 atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } ::sumAvg: 4.87 atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } atom: 1346 120L-H N 8.31 ambi=1 { N:120 } ::sumAvg: 4.515 atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 3.51 atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } atom: 912 82E-HA A 4.07 ambi=1 { CA:60.4 } ::sumAvg: 4.965 atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } ::sumAvg: 3.78 atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } atom: 963 86N-HD21 D2 7.44 ambi=1 { ND2:110.7 } ::sumAvg: 4.355 atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } atom: 1342 119G-HA2 A 4.1 ambi=2 { CA:45 } :: atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } atom: 1343 119G-HA3 A 4.29 ambi=2 { CA:45 } ::sumAvg: 4.345 atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } atom: 1347 120L-HA A 3.8 ambi=1 { CA:58.8 } ::sumAvg: 4.785 atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 4.295 atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } ::sumAvg: 4.865 atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 4.045 atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } atom: 922 83P-HB2 B 0.33 ambi=2 { CB:30.8 } :: atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } atom: 923 83P-HB3 B 1.83 ambi=2 { CB:30.8 } ::sumAvg: 3.76 atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } atom: 924 83P-HG2 G 1.3 ambi=2 { CG:27.8 } :: atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } atom: 925 83P-HG3 G 1.61 ambi=2 { CG:27.8 } ::sumAvg: 3.805 atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } atom: 945 85I-H N 8.29 ambi=1 { N:118.2 } ::sumAvg: 3.695 atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } ::sumAvg: 4.83 atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } :: atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } ::sumAvg: 3.745 atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } ::sumAvg: 4.755 atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } :: atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } ::sumAvg: 4.35 atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } :: atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } ::sumAvg: 3.17 atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } ::sumAvg: 3.635 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } ::sumAvg: 4.145 atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } :: atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } ::sumAvg: 3.615 atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } :: atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } ::sumAvg: 4.975 atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } ::sumAvg: 3.165 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } ::sumAvg: 4.94 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } ::sumAvg: 3.415 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } ::sumAvg: 4.97 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } ::sumAvg: 2.49 atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } ::sumAvg: 4.38 atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } ::sumAvg: 4.37 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } ::sumAvg: 3.785 atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 3.785 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1065 95R-H N 7.85 ambi=1 { N:116.9 } ::sumAvg: 4.32 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } ::sumAvg: 4.905 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } ::sumAvg: 4.785 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } :: atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } ::sumAvg: 3.615 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } ::sumAvg: 4.425 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } :: atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } ::sumAvg: 4.2 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1146 102P-HA A 3.76 ambi=1 { CA:62.6 } ::sumAvg: 4.13 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } :: atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } ::sumAvg: 3.64 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 4.145 atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } ::sumAvg: 4.825 atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 4.825 atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } :: atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } ::sumAvg: 3.625 atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1146 102P-HA A 3.76 ambi=1 { CA:62.6 } ::sumAvg: 4.24 atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } :: atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } ::sumAvg: 4.54 atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } :: atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } ::sumAvg: 3.85 atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } ::sumAvg: 4.005 atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.29 atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } ::sumAvg: 4.85 atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } ::sumAvg: 3.155 atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } ::sumAvg: 3.155 atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } :: atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } ::sumAvg: 4.88 atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } ::sumAvg: 4.38 atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } ::sumAvg: 4.77 atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 3.25 atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } ::sumAvg: 3.54 atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } ::sumAvg: 3.54 atom: 1085 96H-HD2 D2 7.31 ambi=1 { CD2:119.9 } atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } ::sumAvg: 4.545 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } ::sumAvg: 4.1 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1109 98L-HG G 1.38 ambi=1 { CG:27.3 } ::sumAvg: 4.4 atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } ::sumAvg: 3.715 atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } ::sumAvg: 4.02 atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } atom: 1224 109Q-QB B 2.14 ambi=2 { CB:28.2 } ::sumAvg: 4.76 atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1237 110K-H N 7.99 ambi=1 { N:120.4 } ::sumAvg: 4.47 atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1241 110K-HG2 G 0.64 ambi=2 { CG:24.6 } :: atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1242 110K-HG3 G 1.29 ambi=2 { CG:24.6 } ::sumAvg: 4.365 atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1245 110K-QE E 2.69 ambi=2 { CE:42.1 } ::sumAvg: 4.945 atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } atom: 1245 110K-QE E 2.69 ambi=2 { CE:42.1 } ::sumAvg: 4.235 atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } ::sumAvg: 4.615 atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } ::sumAvg: 4.425 atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1297 114I-HG12 G1 0.97 ambi=2 { CG1:28.7 } :: atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } ::sumAvg: 4.455 atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } ::sumAvg: 3.675 atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } ::sumAvg: 4.835 atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } ::sumAvg: 4.57 atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } atom: 1416 127L-H N 7.7 ambi=1 { N:116.3 } ::sumAvg: 4.505 atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } ::sumAvg: 4.16 atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } ::sumAvg: 4.585 atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } atom: 1286 113S-H N 8.1 ambi=1 { N:116.2 } ::sumAvg: 3.64 atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } ::sumAvg: 3.605 atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } atom: 1288 113S-QB B 4.05 ambi=2 { CB:62.6 } ::sumAvg: 4.49 atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } atom: 1321 116S-HB2 B 3.74 ambi=2 { CB:62.9 } :: atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } atom: 1322 116S-HB3 B 3.85 ambi=2 { CB:62.9 } ::sumAvg: 4.635 atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } atom: 1321 116S-HB2 B 3.74 ambi=2 { CB:62.9 } :: atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } atom: 1322 116S-HB3 B 3.85 ambi=2 { CB:62.9 } ::sumAvg: 4.73 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1417 127L-HA A 4.05 ambi=1 { CA:57.7 } ::sumAvg: 4.405 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } :: atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } ::sumAvg: 4.795 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } :: atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } ::sumAvg: 4.78 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1431 128V-HA A 2.97 ambi=1 { CA:64.9 } ::sumAvg: 3.895 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1449 130S-H N 7.34 ambi=1 { N:117.1 } ::sumAvg: 4.835 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } :: atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } ::sumAvg: 3.98 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1453 130S-HG G 5.64 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.23 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } :: atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } ::sumAvg: 4.525 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1484 133Y-H N 7.95 ambi=1 { N:120.3 } ::sumAvg: 3.505 atom: 1515 136Y-QD D 7.09 ambi=3 { CD1:133.4 } atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } ::sumAvg: 3.685 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1496 134A-H N 7.68 ambi=1 { N:122.2 } ::sumAvg: 3.85 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1497 134A-HA A 4 ambi=1 { CA:55.7 } ::sumAvg: 4.495 atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } :: atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } ::sumAvg: 4.74 atom: 1515 136Y-QD D 7.09 ambi=3 { CD1:133.4 } atom: 1505 135D-HB2 B 2.18 ambi=2 { CB:40.5 } :: atom: 1515 136Y-QD D 7.09 ambi=3 { CD1:133.4 } atom: 1506 135D-HB3 B 2.7 ambi=2 { CB:40.5 } ::sumAvg: 4.755 atom: 1515 136Y-QD D 7.09 ambi=3 { CD1:133.4 } atom: 1511 136Y-H N 7.65 ambi=1 { N:115.7 } ::sumAvg: 3.31 atom: 1515 136Y-QD D 7.09 ambi=3 { CD1:133.4 } atom: 1512 136Y-HA A 3.85 ambi=1 { CA:61.4 } ::sumAvg: 2.755 atom: 1517 136Y-QE E 6.74 ambi=3 { CE1:118.2 } atom: 1512 136Y-HA A 3.85 ambi=1 { CA:61.4 } ::sumAvg: 4.615 atom: 1515 136Y-QD D 7.09 ambi=3 { CD1:133.4 } atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } :: atom: 1515 136Y-QD D 7.09 ambi=3 { CD1:133.4 } atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } ::sumAvg: 2.325 atom: 1515 136Y-QD D 7.09 ambi=3 { CD1:133.4 } atom: 1528 137F-HA A 4.93 ambi=1 { CA:55.4 } ::sumAvg: 4.295 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } ::sumAvg: 4.765 atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } ::sumAvg: 4.295 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } ::sumAvg: 4.695 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 4.61 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } ::sumAvg: 4.46 atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } atom: 1596 144Y-H N 5.7 ambi=1 { N:114.6 } ::sumAvg: 4.89 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } ::sumAvg: 3.025 atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } ::sumAvg: 3.93 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1613 145L-HA A 4.4 ambi=1 { CA:55.6 } ::sumAvg: 4.95 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1617 145L-HD1 D1 0.89 ambi=2 { CD1:24.9 } :: atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1618 145L-HD2 D2 0.82 ambi=2 { CD2:24.2 } ::sumAvg: 3.925 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1626 146R-H N 8.98 ambi=1 { N:126.3 } ::sumAvg: 3.84 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1628 146R-HB2 B 1.47 ambi=2 { CB:31.7 } :: atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1629 146R-HB3 B 2.01 ambi=2 { CB:31.7 } ::sumAvg: 3.945 atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1630 146R-HG2 G 1.65 ambi=2 { CG:26.2 } :: atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } atom: 1631 146R-HG3 G 1.72 ambi=2 { CG:26.2 } ::sumAvg: 4.075 atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } atom: 1612 145L-H N 8.18 ambi=1 { N:117.4 } ::sumAvg: 4.975 atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } atom: 1628 146R-HB2 B 1.47 ambi=2 { CB:31.7 } :: atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } atom: 1629 146R-HB3 B 2.01 ambi=2 { CB:31.7 } ::sumAvg: 4.5 atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } atom: 1630 146R-HG2 G 1.65 ambi=2 { CG:26.2 } :: atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } atom: 1631 146R-HG3 G 1.72 ambi=2 { CG:26.2 } ::sumAvg: 3.585 # Missing interactons for c_ali.peaks atom: 19 10K-HB2 B 1.7 ambi=2 { CB:33.1 } atom: 25 10K-QE E 2.94 ambi=2 { CE:42 } :: atom: 20 10K-HB3 B 1.76 ambi=2 { CB:33.1 } atom: 25 10K-QE E 2.94 ambi=2 { CE:42 } ::sumAvg: 3.06 atom: 25 10K-QE E 2.94 ambi=2 { CE:42 } atom: 19 10K-HB2 B 1.7 ambi=2 { CB:33.1 } :: atom: 25 10K-QE E 2.94 ambi=2 { CE:42 } atom: 20 10K-HB3 B 1.76 ambi=2 { CB:33.1 } ::sumAvg: 3.06 atom: 21 10K-QG G 1.36 ambi=2 { CG:24.8 } atom: 12 9A-HA A 4.31 ambi=1 { CA:52.3 } ::sumAvg: 4.52 atom: 13 9A-HB B 1.34 ambi=1 { CB:19.3 } atom: 20 10K-HB3 B 1.76 ambi=2 { CB:33.1 } ::sumAvg: 4.59 atom: 13 9A-HB B 1.34 ambi=1 { CB:19.3 } atom: 17 10K-H N 8.43 ambi=1 { N:121.8 } ::sumAvg: 2.75 atom: 13 9A-HB B 1.34 ambi=1 { CB:19.3 } atom: 34 11R-H N 8.46 ambi=1 { N:123.8 } ::sumAvg: 4.475 atom: 21 10K-QG G 1.36 ambi=2 { CG:24.8 } atom: 17 10K-H N 8.43 ambi=1 { N:121.8 } ::sumAvg: 3.125 atom: 23 10K-QD D 1.61 ambi=2 { CD:29.2 } atom: 17 10K-H N 8.43 ambi=1 { N:121.8 } ::sumAvg: 3.87 atom: 25 10K-QE E 2.94 ambi=2 { CE:42 } atom: 17 10K-H N 8.43 ambi=1 { N:121.8 } ::sumAvg: 4.615 atom: 36 11R-QB B 1.65 ambi=2 { CB:30.7 } atom: 18 10K-HA A 4.28 ambi=1 { CA:56.3 } ::sumAvg: 4.85 atom: 18 10K-HA A 4.28 ambi=1 { CA:56.3 } atom: 23 10K-QD D 1.61 ambi=2 { CD:29.2 } ::sumAvg: 3.15 atom: 23 10K-QD D 1.61 ambi=2 { CD:29.2 } atom: 18 10K-HA A 4.28 ambi=1 { CA:56.3 } ::sumAvg: 3.15 atom: 18 10K-HA A 4.28 ambi=1 { CA:56.3 } atom: 25 10K-QE E 2.94 ambi=2 { CE:42 } ::sumAvg: 4.155 atom: 25 10K-QE E 2.94 ambi=2 { CE:42 } atom: 18 10K-HA A 4.28 ambi=1 { CA:56.3 } ::sumAvg: 4.155 atom: 18 10K-HA A 4.28 ambi=1 { CA:56.3 } atom: 40 11R-QD D 3 ambi=2 { CD:43.2 } ::sumAvg: 4.99 atom: 40 11R-QD D 3 ambi=2 { CD:43.2 } atom: 18 10K-HA A 4.28 ambi=1 { CA:56.3 } ::sumAvg: 4.99 atom: 36 11R-QB B 1.65 ambi=2 { CB:30.7 } atom: 49 12Q-HA A 4.12 ambi=1 { CA:55.7 } ::sumAvg: 4.485 atom: 49 12Q-HA A 4.12 ambi=1 { CA:55.7 } atom: 36 11R-QB B 1.65 ambi=2 { CB:30.7 } ::sumAvg: 4.485 atom: 36 11R-QB B 1.65 ambi=2 { CB:30.7 } atom: 63 13K-H N 7.97 ambi=1 { N:122.1 } ::sumAvg: 4.86 atom: 21 10K-QG G 1.36 ambi=2 { CG:24.8 } atom: 34 11R-H N 8.46 ambi=1 { N:123.8 } ::sumAvg: 3.325 atom: 23 10K-QD D 1.61 ambi=2 { CD:29.2 } atom: 34 11R-H N 8.46 ambi=1 { N:123.8 } ::sumAvg: 4.705 atom: 35 11R-HA A 4.22 ambi=1 { CA:55.8 } atom: 34 11R-H N 8.46 ambi=1 { N:123.8 } ::sumAvg: 2.595 atom: 40 11R-QD D 3 ambi=2 { CD:43.2 } atom: 34 11R-H N 8.46 ambi=1 { N:123.8 } ::sumAvg: 3.54 atom: 35 11R-HA A 4.22 ambi=1 { CA:55.8 } atom: 50 12Q-HB2 B 1.71 ambi=2 { CB:29.9 } :: atom: 35 11R-HA A 4.22 ambi=1 { CA:55.8 } atom: 51 12Q-HB3 B 1.76 ambi=2 { CB:29.9 } ::sumAvg: 4.895 atom: 35 11R-HA A 4.22 ambi=1 { CA:55.8 } atom: 52 12Q-QG G 1.95 ambi=2 { CG:33.4 } ::sumAvg: 4.6 atom: 52 12Q-QG G 1.95 ambi=2 { CG:33.4 } atom: 35 11R-HA A 4.22 ambi=1 { CA:55.8 } ::sumAvg: 4.6 atom: 50 12Q-HB2 B 1.71 ambi=2 { CB:29.9 } atom: 54 12Q-HE21 E2 7.28 ambi=1 { NE2:112.3 } :: atom: 50 12Q-HB2 B 1.71 ambi=2 { CB:29.9 } atom: 55 12Q-HE22 E2 6.78 ambi=1 { NE2:112.3 } :: atom: 51 12Q-HB3 B 1.76 ambi=2 { CB:29.9 } atom: 54 12Q-HE21 E2 7.28 ambi=1 { NE2:112.3 } :: atom: 51 12Q-HB3 B 1.76 ambi=2 { CB:29.9 } atom: 55 12Q-HE22 E2 6.78 ambi=1 { NE2:112.3 } ::sumAvg: 2.975 atom: 50 12Q-HB2 B 1.71 ambi=2 { CB:29.9 } atom: 67 13K-HG2 G 0.9 ambi=2 { CG:24.8 } :: atom: 50 12Q-HB2 B 1.71 ambi=2 { CB:29.9 } atom: 68 13K-HG3 G 1.11 ambi=2 { CG:24.8 } :: atom: 51 12Q-HB3 B 1.76 ambi=2 { CB:29.9 } atom: 67 13K-HG2 G 0.9 ambi=2 { CG:24.8 } :: atom: 51 12Q-HB3 B 1.76 ambi=2 { CB:29.9 } atom: 68 13K-HG3 G 1.11 ambi=2 { CG:24.8 } ::sumAvg: 4.815 atom: 38 11R-HG2 G 1.37 ambi=2 { CG:26.9 } atom: 48 12Q-H N 8.42 ambi=1 { N:123.9 } :: atom: 39 11R-HG3 G 1.51 ambi=2 { CG:26.9 } atom: 48 12Q-H N 8.42 ambi=1 { N:123.9 } ::sumAvg: 3.715 atom: 40 11R-QD D 3 ambi=2 { CD:43.2 } atom: 48 12Q-H N 8.42 ambi=1 { N:123.9 } ::sumAvg: 4.515 atom: 49 12Q-HA A 4.12 ambi=1 { CA:55.7 } atom: 54 12Q-HE21 E2 7.28 ambi=1 { NE2:112.3 } :: atom: 49 12Q-HA A 4.12 ambi=1 { CA:55.7 } atom: 55 12Q-HE22 E2 6.78 ambi=1 { NE2:112.3 } ::sumAvg: 3.8 atom: 69 13K-QD D 1.5 ambi=2 { CD:29.6 } atom: 49 12Q-HA A 4.12 ambi=1 { CA:55.7 } ::sumAvg: 4.775 atom: 49 12Q-HA A 4.12 ambi=1 { CA:55.7 } atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } ::sumAvg: 4.835 atom: 52 12Q-QG G 1.95 ambi=2 { CG:33.4 } atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } ::sumAvg: 4.325 atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } atom: 52 12Q-QG G 1.95 ambi=2 { CG:33.4 } ::sumAvg: 4.325 atom: 64 13K-HA A 4.44 ambi=1 { CA:55.1 } atom: 52 12Q-QG G 1.95 ambi=2 { CG:33.4 } ::sumAvg: 4.675 atom: 52 12Q-QG G 1.95 ambi=2 { CG:33.4 } atom: 67 13K-HG2 G 0.9 ambi=2 { CG:24.8 } :: atom: 52 12Q-QG G 1.95 ambi=2 { CG:33.4 } atom: 68 13K-HG3 G 1.11 ambi=2 { CG:24.8 } ::sumAvg: 4.33 atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } :: atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } ::sumAvg: 4.83 atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } atom: 81 14Y-HA A 4.5 ambi=1 { CA:58.1 } ::sumAvg: 4.4 atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } atom: 84 14Y-QD D 6.96 ambi=3 { CD1:133.4 } ::sumAvg: 4.1 atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } ::sumAvg: 4.755 atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } ::sumAvg: 4.89 atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } ::sumAvg: 4.89 atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } ::sumAvg: 4.95 atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } ::sumAvg: 4.95 atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 3.615 atom: 65 13K-QB B 1.51 ambi=2 { CB:34 } atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } ::sumAvg: 3.73 atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 63 13K-H N 7.97 ambi=1 { N:122.1 } ::sumAvg: 4.735 atom: 64 13K-HA A 4.44 ambi=1 { CA:55.1 } atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } :: atom: 64 13K-HA A 4.44 ambi=1 { CA:55.1 } atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } ::sumAvg: 4.925 atom: 64 13K-HA A 4.44 ambi=1 { CA:55.1 } atom: 71 13K-QE E 2.72 ambi=2 { CE:42 } ::sumAvg: 4.745 atom: 71 13K-QE E 2.72 ambi=2 { CE:42 } atom: 64 13K-HA A 4.44 ambi=1 { CA:55.1 } ::sumAvg: 4.745 atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 64 13K-HA A 4.44 ambi=1 { CA:55.1 } ::sumAvg: 3.85 atom: 64 13K-HA A 4.44 ambi=1 { CA:55.1 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 4.945 atom: 64 13K-HA A 4.44 ambi=1 { CA:55.1 } atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } ::sumAvg: 4.66 atom: 69 13K-QD D 1.5 ambi=2 { CD:29.6 } atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } ::sumAvg: 4.895 atom: 69 13K-QD D 1.5 ambi=2 { CD:29.6 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 4.45 atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 67 13K-HG2 G 0.9 ambi=2 { CG:24.8 } :: atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 68 13K-HG3 G 1.11 ambi=2 { CG:24.8 } ::sumAvg: 3.465 atom: 67 13K-HG2 G 0.9 ambi=2 { CG:24.8 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } :: atom: 68 13K-HG3 G 1.11 ambi=2 { CG:24.8 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 4.92 atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } atom: 86 14Y-QE E 6.69 ambi=3 { CE1:118.1 } :: atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } atom: 86 14Y-QE E 6.69 ambi=3 { CE1:118.1 } ::sumAvg: 4.415 atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } :: atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } ::sumAvg: 3.28 atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } :: atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } ::sumAvg: 4.53 atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } :: atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } ::sumAvg: 4.53 atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } :: atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } ::sumAvg: 4.955 atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } atom: 240 28V-H N 7.86 ambi=1 { N:120.5 } :: atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } atom: 240 28V-H N 7.86 ambi=1 { N:120.5 } ::sumAvg: 4.96 atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } :: atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.745 atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } :: atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } ::sumAvg: 4.745 atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } :: atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } ::sumAvg: 4.785 atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } :: atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } ::sumAvg: 4.785 atom: 82 14Y-HB2 B 2.76 ambi=2 { CB:40.2 } atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } :: atom: 83 14Y-HB3 B 2.82 ambi=2 { CB:40.2 } atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } ::sumAvg: 3.7 atom: 71 13K-QE E 2.72 ambi=2 { CE:42 } atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } ::sumAvg: 4.99 atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 71 13K-QE E 2.72 ambi=2 { CE:42 } ::sumAvg: 4.99 atom: 71 13K-QE E 2.72 ambi=2 { CE:42 } atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } ::sumAvg: 4.2 atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 71 13K-QE E 2.72 ambi=2 { CE:42 } ::sumAvg: 4.2 atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } ::sumAvg: 4.735 atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } ::sumAvg: 4.95 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 80 14Y-H N 9.5 ambi=1 { N:123.9 } ::sumAvg: 3.905 atom: 81 14Y-HA A 4.5 ambi=1 { CA:58.1 } atom: 86 14Y-QE E 6.69 ambi=3 { CE1:118.1 } ::sumAvg: 4.42 atom: 81 14Y-HA A 4.5 ambi=1 { CA:58.1 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } ::sumAvg: 4.41 atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } atom: 81 14Y-HA A 4.5 ambi=1 { CA:58.1 } ::sumAvg: 4.41 atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 81 14Y-HA A 4.5 ambi=1 { CA:58.1 } ::sumAvg: 4.005 atom: 81 14Y-HA A 4.5 ambi=1 { CA:58.1 } atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } ::sumAvg: 4.635 atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } atom: 81 14Y-HA A 4.5 ambi=1 { CA:58.1 } ::sumAvg: 4.635 atom: 81 14Y-HA A 4.5 ambi=1 { CA:58.1 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 81 14Y-HA A 4.5 ambi=1 { CA:58.1 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 4.335 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 81 14Y-HA A 4.5 ambi=1 { CA:58.1 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 81 14Y-HA A 4.5 ambi=1 { CA:58.1 } ::sumAvg: 4.335 atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 84 14Y-QD D 6.96 ambi=3 { CD1:133.4 } ::sumAvg: 4.865 atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } atom: 84 14Y-QD D 6.96 ambi=3 { CD1:133.4 } ::sumAvg: 4.37 atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } atom: 86 14Y-QE E 6.69 ambi=3 { CE1:118.1 } ::sumAvg: 4.12 atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } :: atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } ::sumAvg: 4.805 atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } :: atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } ::sumAvg: 4.805 atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } :: atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } ::sumAvg: 4.955 atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } atom: 193 24E-H N 7.82 ambi=1 { N:121 } :: atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } atom: 193 24E-H N 7.82 ambi=1 { N:121 } ::sumAvg: 4.965 atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } :: atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } ::sumAvg: 4.125 atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } :: atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } ::sumAvg: 4.55 atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } atom: 208 25K-HG2 G 1.34 ambi=2 { CG:27.8 } ::sumAvg: 4.43 atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } :: atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } ::sumAvg: 3.33 atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } :: atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } ::sumAvg: 4.78 atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } ::sumAvg: 4.71 atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } ::sumAvg: 4.805 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 96 15A-H N 8.15 ambi=1 { N:123.1 } ::sumAvg: 4.155 atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } ::sumAvg: 4.355 atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } ::sumAvg: 4.355 atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } :: atom: 106 16M-HB3 B 2.44 ambi=2 { CB:31.2 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } ::sumAvg: 4.535 atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } ::sumAvg: 4.855 atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } ::sumAvg: 4.54 atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } ::sumAvg: 4.81 atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } :: atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } ::sumAvg: 4.2 atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } :: atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } ::sumAvg: 4.2 atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } ::sumAvg: 4.565 atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } ::sumAvg: 4.925 atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } ::sumAvg: 4.925 atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } ::sumAvg: 4.89 atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } ::sumAvg: 4.89 atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 97 15A-HA A 5.22 ambi=1 { CA:50.7 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 3.005 atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } ::sumAvg: 4.23 atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } :: atom: 106 16M-HB3 B 2.44 ambi=2 { CB:31.2 } atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } ::sumAvg: 4.77 atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } ::sumAvg: 3.74 atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } ::sumAvg: 4.5 atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } ::sumAvg: 4.5 atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 119 17K-HB3 B 1.88 ambi=2 { CB:33.6 } ::sumAvg: 3.96 atom: 119 17K-HB3 B 1.88 ambi=2 { CB:33.6 } atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } ::sumAvg: 3.96 atom: 122 17K-QD D 1.64 ambi=2 { CD:29.2 } atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } ::sumAvg: 3.46 atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } ::sumAvg: 4.285 atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 1554 140E-H N 8.25 ambi=1 { N:111.2 } ::sumAvg: 4.73 atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } ::sumAvg: 4.38 atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } ::sumAvg: 4.38 atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } ::sumAvg: 3.78 atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } ::sumAvg: 4.555 atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } atom: 98 15A-HB B 1.23 ambi=1 { CB:22.5 } ::sumAvg: 4.555 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 103 16M-H N 8.99 ambi=1 { N:123.2 } ::sumAvg: 4.15 atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 103 16M-H N 8.99 ambi=1 { N:123.2 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 103 16M-H N 8.99 ambi=1 { N:123.2 } ::sumAvg: 3.99 atom: 1558 140E-HG2 G 2.26 ambi=2 { CG:36.1 } atom: 103 16M-H N 8.99 ambi=1 { N:123.2 } :: atom: 1559 140E-HG3 G 2.39 ambi=2 { CG:36.1 } atom: 103 16M-H N 8.99 ambi=1 { N:123.2 } ::sumAvg: 4.9 atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 103 16M-H N 8.99 ambi=1 { N:123.2 } ::sumAvg: 3.645 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 103 16M-H N 8.99 ambi=1 { N:123.2 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 103 16M-H N 8.99 ambi=1 { N:123.2 } ::sumAvg: 3.86 atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } :: atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } ::sumAvg: 4.885 atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } :: atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } atom: 119 17K-HB3 B 1.88 ambi=2 { CB:33.6 } ::sumAvg: 4.86 atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } :: atom: 119 17K-HB3 B 1.88 ambi=2 { CB:33.6 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } ::sumAvg: 4.86 atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } atom: 120 17K-HG2 G 1.27 ambi=2 { CG:24.2 } :: atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } atom: 121 17K-HG3 G 1.35 ambi=2 { CG:24.2 } ::sumAvg: 4.1 atom: 120 17K-HG2 G 1.27 ambi=2 { CG:24.2 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } :: atom: 121 17K-HG3 G 1.35 ambi=2 { CG:24.2 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } ::sumAvg: 4.1 atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } ::sumAvg: 4.085 atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } ::sumAvg: 4.085 atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } ::sumAvg: 4.705 atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } ::sumAvg: 4.705 atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } atom: 208 25K-HG2 G 1.34 ambi=2 { CG:27.8 } :: atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } atom: 209 25K-HG3 G 1.74 ambi=2 { CG:27.8 } ::sumAvg: 4.88 atom: 208 25K-HG2 G 1.34 ambi=2 { CG:27.8 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } :: atom: 209 25K-HG3 G 1.74 ambi=2 { CG:27.8 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } ::sumAvg: 4.88 atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.76 atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } ::sumAvg: 4.76 atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } :: atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } ::sumAvg: 4.92 atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } :: atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } atom: 104 16M-HA A 4.72 ambi=1 { CA:53.7 } ::sumAvg: 4.92 atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } :: atom: 106 16M-HB3 B 2.44 ambi=2 { CB:31.2 } atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } ::sumAvg: 4.755 atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } :: atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 106 16M-HB3 B 2.44 ambi=2 { CB:31.2 } ::sumAvg: 4.755 atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } :: atom: 106 16M-HB3 B 2.44 ambi=2 { CB:31.2 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 106 16M-HB3 B 2.44 ambi=2 { CB:31.2 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 4.33 atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.785 atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } ::sumAvg: 4.785 atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } :: atom: 106 16M-HB3 B 2.44 ambi=2 { CB:31.2 } atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } ::sumAvg: 4.795 atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } :: atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } atom: 106 16M-HB3 B 2.44 ambi=2 { CB:31.2 } ::sumAvg: 4.795 atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } atom: 649 63M-H N 8.63 ambi=1 { N:120.9 } :: atom: 106 16M-HB3 B 2.44 ambi=2 { CB:31.2 } atom: 649 63M-H N 8.63 ambi=1 { N:120.9 } ::sumAvg: 3.855 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 106 16M-HB3 B 2.44 ambi=2 { CB:31.2 } ::sumAvg: 3.65 atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } :: atom: 106 16M-HB3 B 2.44 ambi=2 { CB:31.2 } atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } ::sumAvg: 4.005 atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } :: atom: 106 16M-HB3 B 2.44 ambi=2 { CB:31.2 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } ::sumAvg: 3.54 atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } :: atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } ::sumAvg: 3.985 atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } :: atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } atom: 105 16M-HB2 B 1.64 ambi=2 { CB:31.2 } ::sumAvg: 3.985 atom: 107 16M-HG2 G 2.4 ambi=2 { CG:33.2 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } :: atom: 108 16M-HG3 G 2.58 ambi=2 { CG:33.2 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } ::sumAvg: 4.805 atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } atom: 107 16M-HG2 G 2.4 ambi=2 { CG:33.2 } :: atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } atom: 108 16M-HG3 G 2.58 ambi=2 { CG:33.2 } ::sumAvg: 4.805 atom: 107 16M-HG2 G 2.4 ambi=2 { CG:33.2 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } :: atom: 108 16M-HG3 G 2.58 ambi=2 { CG:33.2 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } ::sumAvg: 4.94 atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } atom: 107 16M-HG2 G 2.4 ambi=2 { CG:33.2 } :: atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } atom: 108 16M-HG3 G 2.58 ambi=2 { CG:33.2 } ::sumAvg: 4.94 atom: 107 16M-HG2 G 2.4 ambi=2 { CG:33.2 } atom: 649 63M-H N 8.63 ambi=1 { N:120.9 } :: atom: 108 16M-HG3 G 2.58 ambi=2 { CG:33.2 } atom: 649 63M-H N 8.63 ambi=1 { N:120.9 } ::sumAvg: 4.91 atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } :: atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } ::sumAvg: 3.93 atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } ::sumAvg: 4.13 atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } ::sumAvg: 4.13 atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } ::sumAvg: 4.955 atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } ::sumAvg: 4.955 atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } ::sumAvg: 4.12 atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } atom: 578 56V-HA A 4.22 ambi=1 { CA:63.6 } ::sumAvg: 4.87 atom: 578 56V-HA A 4.22 ambi=1 { CA:63.6 } atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } ::sumAvg: 4.87 atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } ::sumAvg: 4.735 atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 4.64 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 109 16M-HE E 1.82 ambi=1 { CE:17.2 } ::sumAvg: 4.64 atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } :: atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } ::sumAvg: 4.11 atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } ::sumAvg: 2.84 atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } ::sumAvg: 4.93 atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } :: atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } ::sumAvg: 4.66 atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } :: atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } atom: 116 17K-H N 6.79 ambi=1 { N:123.8 } ::sumAvg: 4.65 atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } :: atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 119 17K-HB3 B 1.88 ambi=2 { CB:33.6 } ::sumAvg: 2.415 atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 120 17K-HG2 G 1.27 ambi=2 { CG:24.2 } :: atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 121 17K-HG3 G 1.35 ambi=2 { CG:24.2 } ::sumAvg: 3.18 atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 122 17K-QD D 1.64 ambi=2 { CD:29.2 } ::sumAvg: 4.275 atom: 122 17K-QD D 1.64 ambi=2 { CD:29.2 } atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } ::sumAvg: 4.275 atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 132 18P-HA A 4.37 ambi=1 { CA:64 } ::sumAvg: 4.415 atom: 132 18P-HA A 4.37 ambi=1 { CA:64 } atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } ::sumAvg: 4.415 atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 135 18P-HG2 G 1.98 ambi=2 { CG:27.8 } :: atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 136 18P-HG3 G 2.07 ambi=2 { CG:27.8 } ::sumAvg: 4.27 atom: 135 18P-HG2 G 1.98 ambi=2 { CG:27.8 } atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } :: atom: 136 18P-HG3 G 2.07 ambi=2 { CG:27.8 } atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } ::sumAvg: 4.27 atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 137 18P-HD2 D 3.62 ambi=2 { CD:50.7 } :: atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 138 18P-HD3 D 3.87 ambi=2 { CD:50.7 } ::sumAvg: 2.105 atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 4.47 atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } :: atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } ::sumAvg: 4.47 atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } ::sumAvg: 4.805 atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } ::sumAvg: 4.805 atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } :: atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } ::sumAvg: 3.65 atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } :: atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } atom: 117 17K-HA A 4.83 ambi=1 { CA:53.4 } ::sumAvg: 3.65 atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } atom: 124 17K-QE E 2.88 ambi=2 { CE:42.1 } :: atom: 119 17K-HB3 B 1.88 ambi=2 { CB:33.6 } atom: 124 17K-QE E 2.88 ambi=2 { CE:42.1 } ::sumAvg: 3.06 atom: 124 17K-QE E 2.88 ambi=2 { CE:42.1 } atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } :: atom: 124 17K-QE E 2.88 ambi=2 { CE:42.1 } atom: 119 17K-HB3 B 1.88 ambi=2 { CB:33.6 } ::sumAvg: 3.06 atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } atom: 135 18P-HG2 G 1.98 ambi=2 { CG:27.8 } :: atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } atom: 136 18P-HG3 G 2.07 ambi=2 { CG:27.8 } ::sumAvg: 4.43 atom: 135 18P-HG2 G 1.98 ambi=2 { CG:27.8 } atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } :: atom: 136 18P-HG3 G 2.07 ambi=2 { CG:27.8 } atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } ::sumAvg: 4.43 atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } :: atom: 119 17K-HB3 B 1.88 ambi=2 { CB:33.6 } atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } ::sumAvg: 4.56 atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } :: atom: 119 17K-HB3 B 1.88 ambi=2 { CB:33.6 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 119 17K-HB3 B 1.88 ambi=2 { CB:33.6 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 3.585 atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } :: atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } atom: 119 17K-HB3 B 1.88 ambi=2 { CB:33.6 } :: atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } atom: 119 17K-HB3 B 1.88 ambi=2 { CB:33.6 } ::sumAvg: 3.585 atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } ::sumAvg: 3.52 atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } ::sumAvg: 3.52 atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } :: atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } ::sumAvg: 4.39 atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } :: atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } atom: 118 17K-HB2 B 1.56 ambi=2 { CB:33.6 } ::sumAvg: 4.39 atom: 120 17K-HG2 G 1.27 ambi=2 { CG:24.2 } atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } :: atom: 121 17K-HG3 G 1.35 ambi=2 { CG:24.2 } atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } ::sumAvg: 3.905 atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } atom: 120 17K-HG2 G 1.27 ambi=2 { CG:24.2 } :: atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } atom: 121 17K-HG3 G 1.35 ambi=2 { CG:24.2 } ::sumAvg: 3.905 atom: 120 17K-HG2 G 1.27 ambi=2 { CG:24.2 } atom: 137 18P-HD2 D 3.62 ambi=2 { CD:50.7 } :: atom: 120 17K-HG2 G 1.27 ambi=2 { CG:24.2 } atom: 138 18P-HD3 D 3.87 ambi=2 { CD:50.7 } :: atom: 121 17K-HG3 G 1.35 ambi=2 { CG:24.2 } atom: 137 18P-HD2 D 3.62 ambi=2 { CD:50.7 } :: atom: 121 17K-HG3 G 1.35 ambi=2 { CG:24.2 } atom: 138 18P-HD3 D 3.87 ambi=2 { CD:50.7 } ::sumAvg: 4.175 atom: 121 17K-HG3 G 1.35 ambi=2 { CG:24.2 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 3.36 atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } atom: 121 17K-HG3 G 1.35 ambi=2 { CG:24.2 } ::sumAvg: 3.36 atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } atom: 120 17K-HG2 G 1.27 ambi=2 { CG:24.2 } :: atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } atom: 121 17K-HG3 G 1.35 ambi=2 { CG:24.2 } ::sumAvg: 3.03 atom: 122 17K-QD D 1.64 ambi=2 { CD:29.2 } atom: 137 18P-HD2 D 3.62 ambi=2 { CD:50.7 } :: atom: 122 17K-QD D 1.64 ambi=2 { CD:29.2 } atom: 138 18P-HD3 D 3.87 ambi=2 { CD:50.7 } ::sumAvg: 4.695 atom: 137 18P-HD2 D 3.62 ambi=2 { CD:50.7 } atom: 122 17K-QD D 1.64 ambi=2 { CD:29.2 } :: atom: 138 18P-HD3 D 3.87 ambi=2 { CD:50.7 } atom: 122 17K-QD D 1.64 ambi=2 { CD:29.2 } ::sumAvg: 4.695 atom: 122 17K-QD D 1.64 ambi=2 { CD:29.2 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 122 17K-QD D 1.64 ambi=2 { CD:29.2 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 3.4 atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } atom: 124 17K-QE E 2.88 ambi=2 { CE:42.1 } :: atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } atom: 124 17K-QE E 2.88 ambi=2 { CE:42.1 } ::sumAvg: 4.75 atom: 124 17K-QE E 2.88 ambi=2 { CE:42.1 } atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } ::sumAvg: 4.25 atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } atom: 124 17K-QE E 2.88 ambi=2 { CE:42.1 } ::sumAvg: 4.25 atom: 132 18P-HA A 4.37 ambi=1 { CA:64 } atom: 137 18P-HD2 D 3.62 ambi=2 { CD:50.7 } :: atom: 132 18P-HA A 4.37 ambi=1 { CA:64 } atom: 138 18P-HD3 D 3.87 ambi=2 { CD:50.7 } ::sumAvg: 3.615 atom: 132 18P-HA A 4.37 ambi=1 { CA:64 } atom: 145 19G-HA2 A 3.84 ambi=2 { CA:45.5 } :: atom: 132 18P-HA A 4.37 ambi=1 { CA:64 } atom: 146 19G-HA3 A 3.92 ambi=2 { CA:45.5 } ::sumAvg: 4.495 atom: 145 19G-HA2 A 3.84 ambi=2 { CA:45.5 } atom: 132 18P-HA A 4.37 ambi=1 { CA:64 } :: atom: 146 19G-HA3 A 3.92 ambi=2 { CA:45.5 } atom: 132 18P-HA A 4.37 ambi=1 { CA:64 } ::sumAvg: 4.495 atom: 132 18P-HA A 4.37 ambi=1 { CA:64 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 132 18P-HA A 4.37 ambi=1 { CA:64 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 4.865 atom: 145 19G-HA2 A 3.84 ambi=2 { CA:45.5 } atom: 133 18P-HB2 B 1.84 ambi=2 { CB:32 } :: atom: 146 19G-HA3 A 3.92 ambi=2 { CA:45.5 } atom: 133 18P-HB2 B 1.84 ambi=2 { CB:32 } :: atom: 145 19G-HA2 A 3.84 ambi=2 { CA:45.5 } atom: 134 18P-HB3 B 2.33 ambi=2 { CB:32 } :: atom: 146 19G-HA3 A 3.92 ambi=2 { CA:45.5 } atom: 134 18P-HB3 B 2.33 ambi=2 { CB:32 } ::sumAvg: 4.335 atom: 135 18P-HG2 G 1.98 ambi=2 { CG:27.8 } atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } :: atom: 136 18P-HG3 G 2.07 ambi=2 { CG:27.8 } atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } ::sumAvg: 4 atom: 137 18P-HD2 D 3.62 ambi=2 { CD:50.7 } atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } :: atom: 138 18P-HD3 D 3.87 ambi=2 { CD:50.7 } atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } ::sumAvg: 4.305 atom: 137 18P-HD2 D 3.62 ambi=2 { CD:50.7 } atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } :: atom: 137 18P-HD2 D 3.62 ambi=2 { CD:50.7 } atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } :: atom: 138 18P-HD3 D 3.87 ambi=2 { CD:50.7 } atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } :: atom: 138 18P-HD3 D 3.87 ambi=2 { CD:50.7 } atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } ::sumAvg: 4.895 atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } atom: 137 18P-HD2 D 3.62 ambi=2 { CD:50.7 } :: atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } atom: 137 18P-HD2 D 3.62 ambi=2 { CD:50.7 } :: atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } atom: 138 18P-HD3 D 3.87 ambi=2 { CD:50.7 } :: atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } atom: 138 18P-HD3 D 3.87 ambi=2 { CD:50.7 } ::sumAvg: 4.895 atom: 152 20L-HB2 B 1.65 ambi=2 { CB:43.5 } atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } :: atom: 153 20L-HB3 B 1.77 ambi=2 { CB:43.5 } atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } ::sumAvg: 4.36 atom: 151 20L-HA A 4.39 ambi=1 { CA:54.8 } atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } ::sumAvg: 4.795 atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } :: atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } ::sumAvg: 4.145 atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } ::sumAvg: 4.505 atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } atom: 144 19G-H N 8.6 ambi=1 { N:107.9 } ::sumAvg: 4.545 atom: 145 19G-HA2 A 3.84 ambi=2 { CA:45.5 } atom: 151 20L-HA A 4.39 ambi=1 { CA:54.8 } :: atom: 146 19G-HA3 A 3.92 ambi=2 { CA:45.5 } atom: 151 20L-HA A 4.39 ambi=1 { CA:54.8 } ::sumAvg: 4.445 atom: 151 20L-HA A 4.39 ambi=1 { CA:54.8 } atom: 145 19G-HA2 A 3.84 ambi=2 { CA:45.5 } :: atom: 151 20L-HA A 4.39 ambi=1 { CA:54.8 } atom: 146 19G-HA3 A 3.92 ambi=2 { CA:45.5 } ::sumAvg: 4.445 atom: 145 19G-HA2 A 3.84 ambi=2 { CA:45.5 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 145 19G-HA2 A 3.84 ambi=2 { CA:45.5 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } :: atom: 146 19G-HA3 A 3.92 ambi=2 { CA:45.5 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 146 19G-HA3 A 3.92 ambi=2 { CA:45.5 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 4.21 atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } atom: 145 19G-HA2 A 3.84 ambi=2 { CA:45.5 } :: atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } atom: 145 19G-HA2 A 3.84 ambi=2 { CA:45.5 } :: atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } atom: 146 19G-HA3 A 3.92 ambi=2 { CA:45.5 } :: atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } atom: 146 19G-HA3 A 3.92 ambi=2 { CA:45.5 } ::sumAvg: 4.21 atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } atom: 151 20L-HA A 4.39 ambi=1 { CA:54.8 } :: atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } atom: 151 20L-HA A 4.39 ambi=1 { CA:54.8 } ::sumAvg: 4.155 atom: 197 24E-HG2 G 2.3 ambi=2 { CG:37.6 } atom: 151 20L-HA A 4.39 ambi=1 { CA:54.8 } :: atom: 198 24E-HG3 G 2.36 ambi=2 { CG:37.6 } atom: 151 20L-HA A 4.39 ambi=1 { CA:54.8 } ::sumAvg: 4.38 atom: 151 20L-HA A 4.39 ambi=1 { CA:54.8 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } ::sumAvg: 4.895 atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } :: atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } ::sumAvg: 4.785 atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 4.785 atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 4.785 atom: 194 24E-HA A 4.12 ambi=1 { CA:59.1 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 194 24E-HA A 4.12 ambi=1 { CA:59.1 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 4.605 atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } :: atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 3.69 atom: 209 25K-HG3 G 1.74 ambi=2 { CG:27.8 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 208 25K-HG2 G 1.34 ambi=2 { CG:27.8 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } :: atom: 209 25K-HG3 G 1.74 ambi=2 { CG:27.8 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 3.12 atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } :: atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } ::sumAvg: 3.845 atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } :: atom: 156 20L-HD2 D2 0.9 ambi=2 { CD2:22.2 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.5 atom: 155 20L-HD1 D1 1.21 ambi=2 { CD1:26.8 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } ::sumAvg: 2.86 atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } atom: 164 21S-H N 9.19 ambi=1 { N:118.6 } ::sumAvg: 4.91 atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } ::sumAvg: 4.225 atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } :: atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 154 20L-HG G 2.02 ambi=1 { CG:26.3 } ::sumAvg: 4.815 atom: 234 27A-HA A 4.09 ambi=1 { CA:55 } atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } ::sumAvg: 4.805 atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } atom: 234 27A-HA A 4.09 ambi=1 { CA:55 } ::sumAvg: 4.805 atom: 234 27A-HA A 4.09 ambi=1 { CA:55 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } :: atom: 234 27A-HA A 4.09 ambi=1 { CA:55 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } ::sumAvg: 4.995 atom: 234 27A-HA A 4.09 ambi=1 { CA:55 } atom: 251 29I-H N 7.82 ambi=1 { N:119.4 } ::sumAvg: 4.555 atom: 234 27A-HA A 4.09 ambi=1 { CA:55 } atom: 273 30K-QE E 2.96 ambi=2 { CE:42.2 } ::sumAvg: 4.96 atom: 273 30K-QE E 2.96 ambi=2 { CE:42.2 } atom: 234 27A-HA A 4.09 ambi=1 { CA:55 } ::sumAvg: 4.96 atom: 234 27A-HA A 4.09 ambi=1 { CA:55 } atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } ::sumAvg: 4.635 atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } atom: 234 27A-HA A 4.09 ambi=1 { CA:55 } ::sumAvg: 4.635 atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } ::sumAvg: 3.84 atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.68 atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } ::sumAvg: 4.68 atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } atom: 265 30K-H N 7.92 ambi=1 { N:117 } ::sumAvg: 4.74 atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } ::sumAvg: 4.11 atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } ::sumAvg: 4.265 atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } ::sumAvg: 4.265 atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } atom: 179 23L-H N 8.08 ambi=1 { N:116.7 } ::sumAvg: 4.595 atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } atom: 193 24E-H N 7.82 ambi=1 { N:121 } ::sumAvg: 4.695 atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } :: atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } ::sumAvg: 4.635 atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } :: atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } ::sumAvg: 4.635 atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } ::sumAvg: 4.855 atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } atom: 165 21S-HA A 4.48 ambi=1 { CA:57.4 } ::sumAvg: 4.855 atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 181 23L-HB2 B 1.56 ambi=2 { CB:42.2 } :: atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 182 23L-HB3 B 1.72 ambi=2 { CB:42.2 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 181 23L-HB2 B 1.56 ambi=2 { CB:42.2 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 182 23L-HB3 B 1.72 ambi=2 { CB:42.2 } ::sumAvg: 3.955 atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 183 23L-HG G 1.75 ambi=1 { CG:27.1 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 183 23L-HG G 1.75 ambi=1 { CG:27.1 } ::sumAvg: 4.87 atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 184 23L-HD1 D1 0.95 ambi=2 { CD1:25 } :: atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 185 23L-HD2 D2 0.88 ambi=2 { CD2:23.9 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 184 23L-HD1 D1 0.95 ambi=2 { CD1:25 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 185 23L-HD2 D2 0.88 ambi=2 { CD2:23.9 } ::sumAvg: 3.64 atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } :: atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } ::sumAvg: 3.365 atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 197 24E-HG2 G 2.3 ambi=2 { CG:37.6 } :: atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 198 24E-HG3 G 2.36 ambi=2 { CG:37.6 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 197 24E-HG2 G 2.3 ambi=2 { CG:37.6 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 198 24E-HG3 G 2.36 ambi=2 { CG:37.6 } ::sumAvg: 3.38 atom: 166 21S-HB2 B 4.1 ambi=2 { CB:65.2 } atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } :: atom: 167 21S-HB3 B 4.39 ambi=2 { CB:65.2 } atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } ::sumAvg: 4.55 atom: 184 23L-HD1 D1 0.95 ambi=2 { CD1:25 } atom: 172 22A-H N 8.95 ambi=1 { N:124 } :: atom: 185 23L-HD2 D2 0.88 ambi=2 { CD2:23.9 } atom: 172 22A-H N 8.95 ambi=1 { N:124 } ::sumAvg: 4.375 atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } atom: 184 23L-HD1 D1 0.95 ambi=2 { CD1:25 } :: atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } atom: 185 23L-HD2 D2 0.88 ambi=2 { CD2:23.9 } ::sumAvg: 4.935 atom: 184 23L-HD1 D1 0.95 ambi=2 { CD1:25 } atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } :: atom: 185 23L-HD2 D2 0.88 ambi=2 { CD2:23.9 } atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } ::sumAvg: 4.935 atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } atom: 193 24E-H N 7.82 ambi=1 { N:121 } ::sumAvg: 4.38 atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } atom: 208 25K-HG2 G 1.34 ambi=2 { CG:27.8 } :: atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } atom: 209 25K-HG3 G 1.74 ambi=2 { CG:27.8 } ::sumAvg: 4.07 atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } ::sumAvg: 3.695 atom: 173 22A-HA A 4 ambi=1 { CA:56.1 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } ::sumAvg: 4.41 atom: 174 22A-HB B 1.47 ambi=1 { CB:17.9 } atom: 184 23L-HD1 D1 0.95 ambi=2 { CD1:25 } :: atom: 174 22A-HB B 1.47 ambi=1 { CB:17.9 } atom: 185 23L-HD2 D2 0.88 ambi=2 { CD2:23.9 } ::sumAvg: 2.965 atom: 174 22A-HB B 1.47 ambi=1 { CB:17.9 } atom: 193 24E-H N 7.82 ambi=1 { N:121 } ::sumAvg: 4.595 atom: 174 22A-HB B 1.47 ambi=1 { CB:17.9 } atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } ::sumAvg: 4.62 atom: 223 26N-HB2 B 2.8 ambi=2 { CB:37.6 } atom: 174 22A-HB B 1.47 ambi=1 { CB:17.9 } :: atom: 224 26N-HB3 B 3.03 ambi=2 { CB:37.6 } atom: 174 22A-HB B 1.47 ambi=1 { CB:17.9 } ::sumAvg: 4.81 atom: 174 22A-HB B 1.47 ambi=1 { CB:17.9 } atom: 225 26N-HD21 D2 7.6 ambi=1 { ND2:110.9 } ::sumAvg: 4.705 atom: 174 22A-HB B 1.47 ambi=1 { CB:17.9 } atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } :: atom: 174 22A-HB B 1.47 ambi=1 { CB:17.9 } atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } ::sumAvg: 4.805 atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } atom: 174 22A-HB B 1.47 ambi=1 { CB:17.9 } :: atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } atom: 174 22A-HB B 1.47 ambi=1 { CB:17.9 } ::sumAvg: 4.805 atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } atom: 179 23L-H N 8.08 ambi=1 { N:116.7 } :: atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } atom: 179 23L-H N 8.08 ambi=1 { N:116.7 } ::sumAvg: 4.785 atom: 180 23L-HA A 4.08 ambi=1 { CA:58.2 } atom: 193 24E-H N 7.82 ambi=1 { N:121 } ::sumAvg: 3.505 atom: 180 23L-HA A 4.08 ambi=1 { CA:58.2 } atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } ::sumAvg: 4.505 atom: 180 23L-HA A 4.08 ambi=1 { CA:58.2 } atom: 233 27A-H N 7.57 ambi=1 { N:122.4 } ::sumAvg: 4.135 atom: 194 24E-HA A 4.12 ambi=1 { CA:59.1 } atom: 181 23L-HB2 B 1.56 ambi=2 { CB:42.2 } :: atom: 194 24E-HA A 4.12 ambi=1 { CA:59.1 } atom: 182 23L-HB3 B 1.72 ambi=2 { CB:42.2 } ::sumAvg: 4.59 atom: 181 23L-HB2 B 1.56 ambi=2 { CB:42.2 } atom: 223 26N-HB2 B 2.8 ambi=2 { CB:37.6 } :: atom: 181 23L-HB2 B 1.56 ambi=2 { CB:42.2 } atom: 224 26N-HB3 B 3.03 ambi=2 { CB:37.6 } :: atom: 182 23L-HB3 B 1.72 ambi=2 { CB:42.2 } atom: 223 26N-HB2 B 2.8 ambi=2 { CB:37.6 } :: atom: 182 23L-HB3 B 1.72 ambi=2 { CB:42.2 } atom: 224 26N-HB3 B 3.03 ambi=2 { CB:37.6 } ::sumAvg: 4.34 atom: 181 23L-HB2 B 1.56 ambi=2 { CB:42.2 } atom: 225 26N-HD21 D2 7.6 ambi=1 { ND2:110.9 } :: atom: 182 23L-HB3 B 1.72 ambi=2 { CB:42.2 } atom: 225 26N-HD21 D2 7.6 ambi=1 { ND2:110.9 } ::sumAvg: 4.84 atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } atom: 184 23L-HD1 D1 0.95 ambi=2 { CD1:25 } :: atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } atom: 185 23L-HD2 D2 0.88 ambi=2 { CD2:23.9 } ::sumAvg: 4.735 atom: 194 24E-HA A 4.12 ambi=1 { CA:59.1 } atom: 184 23L-HD1 D1 0.95 ambi=2 { CD1:25 } :: atom: 194 24E-HA A 4.12 ambi=1 { CA:59.1 } atom: 185 23L-HD2 D2 0.88 ambi=2 { CD2:23.9 } ::sumAvg: 4.205 atom: 223 26N-HB2 B 2.8 ambi=2 { CB:37.6 } atom: 184 23L-HD1 D1 0.95 ambi=2 { CD1:25 } :: atom: 224 26N-HB3 B 3.03 ambi=2 { CB:37.6 } atom: 184 23L-HD1 D1 0.95 ambi=2 { CD1:25 } :: atom: 223 26N-HB2 B 2.8 ambi=2 { CB:37.6 } atom: 185 23L-HD2 D2 0.88 ambi=2 { CD2:23.9 } :: atom: 224 26N-HB3 B 3.03 ambi=2 { CB:37.6 } atom: 185 23L-HD2 D2 0.88 ambi=2 { CD2:23.9 } ::sumAvg: 3.74 atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } atom: 193 24E-H N 7.82 ambi=1 { N:121 } :: atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } atom: 193 24E-H N 7.82 ambi=1 { N:121 } ::sumAvg: 4.735 atom: 223 26N-HB2 B 2.8 ambi=2 { CB:37.6 } atom: 193 24E-H N 7.82 ambi=1 { N:121 } :: atom: 224 26N-HB3 B 3.03 ambi=2 { CB:37.6 } atom: 193 24E-H N 7.82 ambi=1 { N:121 } ::sumAvg: 4.87 atom: 194 24E-HA A 4.12 ambi=1 { CA:59.1 } atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } ::sumAvg: 3.525 atom: 194 24E-HA A 4.12 ambi=1 { CA:59.1 } atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } ::sumAvg: 4.505 atom: 194 24E-HA A 4.12 ambi=1 { CA:59.1 } atom: 240 28V-H N 7.86 ambi=1 { N:120.5 } ::sumAvg: 4.335 atom: 194 24E-HA A 4.12 ambi=1 { CA:59.1 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } :: atom: 194 24E-HA A 4.12 ambi=1 { CA:59.1 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } ::sumAvg: 3.99 atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } :: atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } ::sumAvg: 4.155 atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } :: atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } ::sumAvg: 4.155 atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } :: atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } ::sumAvg: 4.36 atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } :: atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } ::sumAvg: 4.36 atom: 208 25K-HG2 G 1.34 ambi=2 { CG:27.8 } atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } :: atom: 208 25K-HG2 G 1.34 ambi=2 { CG:27.8 } atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } :: atom: 209 25K-HG3 G 1.74 ambi=2 { CG:27.8 } atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } ::sumAvg: 4.765 atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } :: atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } ::sumAvg: 4.915 atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } :: atom: 195 24E-HB2 B 2.11 ambi=2 { CB:30.7 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } :: atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } :: atom: 196 24E-HB3 B 2.36 ambi=2 { CB:30.7 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } ::sumAvg: 3.92 atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } ::sumAvg: 4.9 atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } :: atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 204 25K-H N 8.88 ambi=1 { N:119.7 } ::sumAvg: 4.325 atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } ::sumAvg: 4.825 atom: 235 27A-HB B 1.62 ambi=1 { CB:18.2 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } ::sumAvg: 4.825 atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } ::sumAvg: 3.25 atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } ::sumAvg: 3.25 atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } ::sumAvg: 4.28 atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } ::sumAvg: 4.82 atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } ::sumAvg: 4.82 atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } atom: 233 27A-H N 7.57 ambi=1 { N:122.4 } ::sumAvg: 4.355 atom: 254 29I-HG12 G1 0.75 ambi=2 { CG1:29.3 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } :: atom: 255 29I-HG13 G1 1.33 ambi=2 { CG1:29.3 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } ::sumAvg: 4.1 atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 4.715 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 205 25K-HA A 3.77 ambi=1 { CA:61.2 } ::sumAvg: 4.715 atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } :: atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } ::sumAvg: 4.205 atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } :: atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } ::sumAvg: 4.205 atom: 223 26N-HB2 B 2.8 ambi=2 { CB:37.6 } atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } :: atom: 224 26N-HB3 B 3.03 ambi=2 { CB:37.6 } atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } :: atom: 223 26N-HB2 B 2.8 ambi=2 { CB:37.6 } atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } :: atom: 224 26N-HB3 B 3.03 ambi=2 { CB:37.6 } atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } ::sumAvg: 4.695 atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.665 atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } ::sumAvg: 4.665 atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } :: atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } :: atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } ::sumAvg: 4.855 atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } :: atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } :: atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } ::sumAvg: 4.855 atom: 254 29I-HG12 G1 0.75 ambi=2 { CG1:29.3 } atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } :: atom: 254 29I-HG12 G1 0.75 ambi=2 { CG1:29.3 } atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } :: atom: 255 29I-HG13 G1 1.33 ambi=2 { CG1:29.3 } atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } ::sumAvg: 4.18 atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } :: atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 3.555 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } :: atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } ::sumAvg: 3.555 atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } :: atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 4.07 atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } :: atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } ::sumAvg: 4.07 atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } :: atom: 206 25K-HB2 B 1.48 ambi=2 { CB:33.3 } atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } :: atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } :: atom: 207 25K-HB3 B 2.01 ambi=2 { CB:33.3 } atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } ::sumAvg: 4.665 atom: 208 25K-HG2 G 1.34 ambi=2 { CG:27.8 } atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } :: atom: 209 25K-HG3 G 1.74 ambi=2 { CG:27.8 } atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } ::sumAvg: 4.21 atom: 208 25K-HG2 G 1.34 ambi=2 { CG:27.8 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } :: atom: 209 25K-HG3 G 1.74 ambi=2 { CG:27.8 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.995 atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 208 25K-HG2 G 1.34 ambi=2 { CG:27.8 } :: atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 209 25K-HG3 G 1.74 ambi=2 { CG:27.8 } ::sumAvg: 4.995 atom: 208 25K-HG2 G 1.34 ambi=2 { CG:27.8 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } :: atom: 209 25K-HG3 G 1.74 ambi=2 { CG:27.8 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } :: atom: 209 25K-HG3 G 1.74 ambi=2 { CG:27.8 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } ::sumAvg: 4.405 atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 208 25K-HG2 G 1.34 ambi=2 { CG:27.8 } :: atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 209 25K-HG3 G 1.74 ambi=2 { CG:27.8 } :: atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 209 25K-HG3 G 1.74 ambi=2 { CG:27.8 } ::sumAvg: 4.405 atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 4.115 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } ::sumAvg: 4.115 atom: 605 58N-HA A 4.67 ambi=1 { CA:53.2 } atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } ::sumAvg: 4.97 atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 3.005 atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } ::sumAvg: 3.005 atom: 210 25K-QD D 1.64 ambi=2 { CD:30.7 } atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } ::sumAvg: 4.865 atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 4.72 atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } atom: 617 59G-HA2 A 3.87 ambi=2 { CA:45.4 } :: atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } atom: 618 59G-HA3 A 4.15 ambi=2 { CA:45.4 } ::sumAvg: 4.66 atom: 617 59G-HA2 A 3.87 ambi=2 { CA:45.4 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } :: atom: 618 59G-HA3 A 4.15 ambi=2 { CA:45.4 } atom: 212 25K-QE E 3.07 ambi=2 { CE:42.3 } ::sumAvg: 4.66 atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } :: atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } ::sumAvg: 4.87 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 221 26N-H N 8.08 ambi=1 { N:116.7 } ::sumAvg: 4.81 atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } atom: 254 29I-HG12 G1 0.75 ambi=2 { CG1:29.3 } :: atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } atom: 255 29I-HG13 G1 1.33 ambi=2 { CG1:29.3 } ::sumAvg: 3.55 atom: 254 29I-HG12 G1 0.75 ambi=2 { CG1:29.3 } atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } :: atom: 255 29I-HG13 G1 1.33 ambi=2 { CG1:29.3 } atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } ::sumAvg: 3.55 atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } atom: 265 30K-H N 7.92 ambi=1 { N:117 } ::sumAvg: 4.145 atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } atom: 222 26N-HA A 4.35 ambi=1 { CA:55.8 } ::sumAvg: 4.96 atom: 234 27A-HA A 4.09 ambi=1 { CA:55 } atom: 223 26N-HB2 B 2.8 ambi=2 { CB:37.6 } :: atom: 234 27A-HA A 4.09 ambi=1 { CA:55 } atom: 224 26N-HB3 B 3.03 ambi=2 { CB:37.6 } ::sumAvg: 4.365 atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 233 27A-H N 7.57 ambi=1 { N:122.4 } ::sumAvg: 4.855 atom: 393 40D-HA A 4.67 ambi=1 { CA:54.1 } atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } ::sumAvg: 4.76 atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } atom: 393 40D-HA A 4.67 ambi=1 { CA:54.1 } ::sumAvg: 4.76 atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 393 40D-HA A 4.67 ambi=1 { CA:54.1 } :: atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } atom: 393 40D-HA A 4.67 ambi=1 { CA:54.1 } ::sumAvg: 4.145 atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } atom: 393 40D-HA A 4.67 ambi=1 { CA:54.1 } ::sumAvg: 4.45 atom: 394 40D-HB2 B 2.53 ambi=2 { CB:40.8 } atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } :: atom: 395 40D-HB3 B 2.69 ambi=2 { CB:40.8 } atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } ::sumAvg: 4.8 atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } atom: 394 40D-HB2 B 2.53 ambi=2 { CB:40.8 } :: atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } atom: 395 40D-HB3 B 2.69 ambi=2 { CB:40.8 } ::sumAvg: 4.8 atom: 394 40D-HB2 B 2.53 ambi=2 { CB:40.8 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } :: atom: 395 40D-HB3 B 2.69 ambi=2 { CB:40.8 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } ::sumAvg: 4.745 atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } atom: 394 40D-HB2 B 2.53 ambi=2 { CB:40.8 } :: atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } atom: 395 40D-HB3 B 2.69 ambi=2 { CB:40.8 } ::sumAvg: 4.745 atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } atom: 240 28V-H N 7.86 ambi=1 { N:120.5 } ::sumAvg: 4.98 atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } atom: 240 28V-H N 7.86 ambi=1 { N:120.5 } ::sumAvg: 4.73 atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } atom: 265 30K-H N 7.92 ambi=1 { N:117 } ::sumAvg: 4.575 atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } atom: 289 32A-H N 7.92 ambi=1 { N:123.8 } ::sumAvg: 4.265 atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 4.91 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } ::sumAvg: 4.91 atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } ::sumAvg: 4.835 atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 241 28V-HA A 3.35 ambi=1 { CA:66.4 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 3.53 atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } ::sumAvg: 4.23 atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.23 atom: 253 29I-HB B 1.77 ambi=1 { CB:37.2 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.955 atom: 254 29I-HG12 G1 0.75 ambi=2 { CG1:29.3 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } :: atom: 255 29I-HG13 G1 1.33 ambi=2 { CG1:29.3 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 3.13 atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 4.28 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.28 atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 265 30K-H N 7.92 ambi=1 { N:117 } ::sumAvg: 4.97 atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } ::sumAvg: 4.23 atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.23 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 242 28V-HB B 2.18 ambi=1 { CB:31.5 } ::sumAvg: 4.645 atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } :: atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } ::sumAvg: 3.385 atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } ::sumAvg: 4.835 atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } ::sumAvg: 4.835 atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 4.155 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } ::sumAvg: 4.155 atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } ::sumAvg: 3.63 atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 289 32A-H N 7.92 ambi=1 { N:123.8 } :: atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 289 32A-H N 7.92 ambi=1 { N:123.8 } ::sumAvg: 4.145 atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 3.48 atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 4.415 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } :: atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } ::sumAvg: 4.535 atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } :: atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } ::sumAvg: 3.895 atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } :: atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } ::sumAvg: 4.835 atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } :: atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } ::sumAvg: 4.835 atom: 243 28V-HG1 G1 0.74 ambi=2 { CG1:22.8 } atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } :: atom: 244 28V-HG2 G2 1.21 ambi=2 { CG2:23.3 } atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } ::sumAvg: 4.065 atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } atom: 251 29I-H N 7.82 ambi=1 { N:119.4 } ::sumAvg: 3.76 atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } atom: 251 29I-H N 7.82 ambi=1 { N:119.4 } ::sumAvg: 4.53 atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } atom: 251 29I-H N 7.82 ambi=1 { N:119.4 } ::sumAvg: 4.82 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 251 29I-H N 7.82 ambi=1 { N:119.4 } ::sumAvg: 4.765 atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } atom: 251 29I-H N 7.82 ambi=1 { N:119.4 } ::sumAvg: 4.62 atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } ::sumAvg: 4.775 atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } ::sumAvg: 4.775 atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } ::sumAvg: 4.89 atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } ::sumAvg: 4.69 atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 4.725 atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } :: atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } ::sumAvg: 4.085 atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 4.655 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 252 29I-HA A 3.18 ambi=1 { CA:65 } ::sumAvg: 4.655 atom: 253 29I-HB B 1.77 ambi=1 { CB:37.2 } atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } ::sumAvg: 4.25 atom: 253 29I-HB B 1.77 ambi=1 { CB:37.2 } atom: 282 31A-H N 7.53 ambi=1 { N:120.5 } ::sumAvg: 4.975 atom: 253 29I-HB B 1.77 ambi=1 { CB:37.2 } atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } ::sumAvg: 4.695 atom: 253 29I-HB B 1.77 ambi=1 { CB:37.2 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 4.2 atom: 253 29I-HB B 1.77 ambi=1 { CB:37.2 } atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } ::sumAvg: 4.475 atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } atom: 253 29I-HB B 1.77 ambi=1 { CB:37.2 } ::sumAvg: 4.475 atom: 254 29I-HG12 G1 0.75 ambi=2 { CG1:29.3 } atom: 265 30K-H N 7.92 ambi=1 { N:117 } :: atom: 255 29I-HG13 G1 1.33 ambi=2 { CG1:29.3 } atom: 265 30K-H N 7.92 ambi=1 { N:117 } ::sumAvg: 4.14 atom: 254 29I-HG12 G1 0.75 ambi=2 { CG1:29.3 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 4.735 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 254 29I-HG12 G1 0.75 ambi=2 { CG1:29.3 } :: atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 255 29I-HG13 G1 1.33 ambi=2 { CG1:29.3 } ::sumAvg: 4.79 atom: 254 29I-HG12 G1 0.75 ambi=2 { CG1:29.3 } atom: 547 53E-HG2 G 2.12 ambi=2 { CG:37.9 } :: atom: 254 29I-HG12 G1 0.75 ambi=2 { CG1:29.3 } atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } :: atom: 255 29I-HG13 G1 1.33 ambi=2 { CG1:29.3 } atom: 547 53E-HG2 G 2.12 ambi=2 { CG:37.9 } :: atom: 255 29I-HG13 G1 1.33 ambi=2 { CG1:29.3 } atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } ::sumAvg: 4.33 atom: 254 29I-HG12 G1 0.75 ambi=2 { CG1:29.3 } atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } ::sumAvg: 4.05 atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } ::sumAvg: 3.495 atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } atom: 269 30K-HG2 G 1.49 ambi=2 { CG:25.7 } :: atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } atom: 270 30K-HG3 G 1.59 ambi=2 { CG:25.7 } ::sumAvg: 4.94 atom: 269 30K-HG2 G 1.49 ambi=2 { CG:25.7 } atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } :: atom: 270 30K-HG3 G 1.59 ambi=2 { CG:25.7 } atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } ::sumAvg: 4.94 atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } atom: 271 30K-QD D 1.63 ambi=2 { CD:29.4 } ::sumAvg: 4.595 atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 3.37 atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } :: atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } ::sumAvg: 4.565 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } ::sumAvg: 4.565 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } ::sumAvg: 3.235 atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } ::sumAvg: 4.98 atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } ::sumAvg: 4 atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } ::sumAvg: 4.82 atom: 256 29I-HG2 G2 0.61 ambi=1 { CG2:18.3 } atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } ::sumAvg: 3.32 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 265 30K-H N 7.92 ambi=1 { N:117 } ::sumAvg: 4.5 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 4.595 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 4.355 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 3.175 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 545 53E-HB2 B 2.18 ambi=2 { CB:29.5 } :: atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 546 53E-HB3 B 2.54 ambi=2 { CB:29.5 } ::sumAvg: 3.305 atom: 545 53E-HB2 B 2.18 ambi=2 { CB:29.5 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } :: atom: 546 53E-HB3 B 2.54 ambi=2 { CB:29.5 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 3.305 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } ::sumAvg: 4.585 atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 4.585 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } ::sumAvg: 4.875 atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } :: atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 3.81 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } ::sumAvg: 4.205 atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } ::sumAvg: 3.635 atom: 257 29I-HD1 D1 0.49 ambi=1 { CD1:12.8 } atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } ::sumAvg: 4.52 atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } atom: 271 30K-QD D 1.63 ambi=2 { CD:29.4 } ::sumAvg: 3.1 atom: 271 30K-QD D 1.63 ambi=2 { CD:29.4 } atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } ::sumAvg: 3.1 atom: 273 30K-QE E 2.96 ambi=2 { CE:42.2 } atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } ::sumAvg: 3.905 atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 4.65 atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } :: atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } ::sumAvg: 3.18 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } ::sumAvg: 3.18 atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 4.145 atom: 266 30K-HA A 3.93 ambi=1 { CA:60 } atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 4.325 atom: 273 30K-QE E 2.96 ambi=2 { CE:42.2 } atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } ::sumAvg: 2.87 atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } atom: 283 31A-HA A 3.74 ambi=1 { CA:54.9 } ::sumAvg: 4.08 atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } ::sumAvg: 3.865 atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } ::sumAvg: 3.865 atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } :: atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } ::sumAvg: 4.88 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } ::sumAvg: 4.88 atom: 267 30K-QB B 1.78 ambi=2 { CB:32.1 } atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } ::sumAvg: 4.395 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 269 30K-HG2 G 1.49 ambi=2 { CG:25.7 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 269 30K-HG2 G 1.49 ambi=2 { CG:25.7 } :: atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 270 30K-HG3 G 1.59 ambi=2 { CG:25.7 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 270 30K-HG3 G 1.59 ambi=2 { CG:25.7 } ::sumAvg: 4.86 atom: 271 30K-QD D 1.63 ambi=2 { CD:29.4 } atom: 283 31A-HA A 3.74 ambi=1 { CA:54.9 } ::sumAvg: 4.77 atom: 283 31A-HA A 3.74 ambi=1 { CA:54.9 } atom: 271 30K-QD D 1.63 ambi=2 { CD:29.4 } ::sumAvg: 4.77 atom: 271 30K-QD D 1.63 ambi=2 { CD:29.4 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } :: atom: 271 30K-QD D 1.63 ambi=2 { CD:29.4 } atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } ::sumAvg: 4.92 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 271 30K-QD D 1.63 ambi=2 { CD:29.4 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 271 30K-QD D 1.63 ambi=2 { CD:29.4 } ::sumAvg: 4.92 atom: 271 30K-QD D 1.63 ambi=2 { CD:29.4 } atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } ::sumAvg: 4.85 atom: 283 31A-HA A 3.74 ambi=1 { CA:54.9 } atom: 318 34R-HD2 D 3.08 ambi=2 { CD:43.4 } :: atom: 283 31A-HA A 3.74 ambi=1 { CA:54.9 } atom: 319 34R-HD3 D 3.2 ambi=2 { CD:43.4 } ::sumAvg: 3.855 atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } ::sumAvg: 3.84 atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } ::sumAvg: 3.84 atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 3.81 atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 4.62 atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } atom: 314 34R-QB B 1.77 ambi=2 { CB:30 } ::sumAvg: 4.05 atom: 328 35Q-HB2 B 1.75 ambi=2 { CB:27 } atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } :: atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } ::sumAvg: 4.41 atom: 284 31A-HB B 0.76 ambi=1 { CB:17.1 } atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } ::sumAvg: 4.2 atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 4.775 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } ::sumAvg: 4.775 atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 4.445 atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } atom: 328 35Q-HB2 B 1.75 ambi=2 { CB:27 } :: atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } ::sumAvg: 3.84 atom: 328 35Q-HB2 B 1.75 ambi=2 { CB:27 } atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } :: atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } ::sumAvg: 3.84 atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } ::sumAvg: 3.965 atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } ::sumAvg: 4.22 atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } ::sumAvg: 4.555 atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } ::sumAvg: 4.555 atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } :: atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } ::sumAvg: 4.75 atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } atom: 1589 143P-HD2 D 3.04 ambi=2 { CD:50.9 } ::sumAvg: 4.615 atom: 1589 143P-HD2 D 3.04 ambi=2 { CD:50.9 } atom: 290 32A-HA A 3.94 ambi=1 { CA:55.6 } ::sumAvg: 4.615 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 3.8 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 3.8 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } :: atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } ::sumAvg: 4.465 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 4.465 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } ::sumAvg: 3.725 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 4.565 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 4.5 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 326 35Q-H N 7.87 ambi=1 { N:119.3 } ::sumAvg: 4.565 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } ::sumAvg: 4.55 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } ::sumAvg: 4.89 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } :: atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } ::sumAvg: 4.64 atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 4.64 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } :: atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } ::sumAvg: 4.645 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } ::sumAvg: 4.335 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } ::sumAvg: 4.87 atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 4.87 atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 4.825 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } ::sumAvg: 4.855 atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 4.855 atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 1589 143P-HD2 D 3.04 ambi=2 { CD:50.9 } :: atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } atom: 1590 143P-HD3 D 3.83 ambi=2 { CD:50.9 } ::sumAvg: 4.62 atom: 1589 143P-HD2 D 3.04 ambi=2 { CD:50.9 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } :: atom: 1590 143P-HD3 D 3.83 ambi=2 { CD:50.9 } atom: 291 32A-HB B 1.41 ambi=1 { CB:16.7 } ::sumAvg: 4.62 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 4.41 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 3.52 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 4.725 atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 4.725 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 326 35Q-H N 7.87 ambi=1 { N:119.3 } ::sumAvg: 4.265 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } ::sumAvg: 3.71 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } ::sumAvg: 3.3 atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 3.3 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 338 36I-HG12 G1 1.11 ambi=2 { CG1:27.7 } :: atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 339 36I-HG13 G1 1.37 ambi=2 { CG1:27.7 } ::sumAvg: 4.095 atom: 338 36I-HG12 G1 1.11 ambi=2 { CG1:27.7 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } :: atom: 339 36I-HG13 G1 1.37 ambi=2 { CG1:27.7 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 4.095 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } ::sumAvg: 4.575 atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 4.575 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } ::sumAvg: 4.87 atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 4.87 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 3.435 atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 4.22 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 4.555 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } ::sumAvg: 4.86 atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } ::sumAvg: 4.86 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 4.715 atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } :: atom: 297 33Y-HA A 4.66 ambi=1 { CA:59.3 } atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } ::sumAvg: 3.555 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 4.38 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 4.16 atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } ::sumAvg: 4.16 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 314 34R-QB B 1.77 ambi=2 { CB:30 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 314 34R-QB B 1.77 ambi=2 { CB:30 } ::sumAvg: 4.34 atom: 314 34R-QB B 1.77 ambi=2 { CB:30 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } :: atom: 314 34R-QB B 1.77 ambi=2 { CB:30 } atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } ::sumAvg: 4.34 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 316 34R-HG2 G 1.33 ambi=2 { CG:28.3 } :: atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 317 34R-HG3 G 1.78 ambi=2 { CG:28.3 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 316 34R-HG2 G 1.33 ambi=2 { CG:28.3 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 317 34R-HG3 G 1.78 ambi=2 { CG:28.3 } ::sumAvg: 4.88 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 326 35Q-H N 7.87 ambi=1 { N:119.3 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 326 35Q-H N 7.87 ambi=1 { N:119.3 } ::sumAvg: 4.965 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 4.785 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } ::sumAvg: 4.1 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } ::sumAvg: 4.64 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } :: atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } ::sumAvg: 3.705 atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } :: atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } :: atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } :: atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } ::sumAvg: 3.705 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } ::sumAvg: 4.42 atom: 298 33Y-HB2 B 3.29 ambi=2 { CB:36.8 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } :: atom: 299 33Y-HB3 B 3.53 ambi=2 { CB:36.8 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } ::sumAvg: 3.655 atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } ::sumAvg: 4.495 atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } ::sumAvg: 4.015 atom: 497 49I-HD1 D1 0.79 ambi=1 { CD1:12.5 } atom: 300 33Y-QD D 7.04 ambi=3 { CD1:130.7 } ::sumAvg: 4.69 atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 4.505 atom: 494 49I-HG12 G1 1.19 ambi=2 { CG1:28.3 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } :: atom: 495 49I-HG13 G1 1.48 ambi=2 { CG1:28.3 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 4.255 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 4.4 atom: 545 53E-HB2 B 2.18 ambi=2 { CB:29.5 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } :: atom: 546 53E-HB3 B 2.54 ambi=2 { CB:29.5 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 3.58 atom: 547 53E-HG2 G 2.12 ambi=2 { CG:37.9 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } :: atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } atom: 302 33Y-QE E 6.74 ambi=3 { CE1:118.4 } ::sumAvg: 3.755 atom: 328 35Q-HB2 B 1.75 ambi=2 { CB:27 } atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } :: atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } atom: 312 34R-H N 8.41 ambi=1 { N:117.7 } ::sumAvg: 4.88 atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } atom: 327 35Q-HA A 4.13 ambi=1 { CA:57.3 } ::sumAvg: 4.59 atom: 327 35Q-HA A 4.13 ambi=1 { CA:57.3 } atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 4.59 atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 4.345 atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 4.58 atom: 366 38E-HA A 4.32 ambi=1 { CA:58.2 } atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 3.58 atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } atom: 377 39R-HA A 4.49 ambi=1 { CA:54.6 } ::sumAvg: 4.445 atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } :: atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } ::sumAvg: 4.495 atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } :: atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } atom: 313 34R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 4.495 atom: 314 34R-QB B 1.77 ambi=2 { CB:30 } atom: 365 38E-H N 7.31 ambi=1 { N:111.3 } ::sumAvg: 4.95 atom: 314 34R-QB B 1.77 ambi=2 { CB:30 } atom: 366 38E-HA A 4.32 ambi=1 { CA:58.2 } ::sumAvg: 4.725 atom: 314 34R-QB B 1.77 ambi=2 { CB:30 } atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } ::sumAvg: 4.9 atom: 316 34R-HG2 G 1.33 ambi=2 { CG:28.3 } atom: 327 35Q-HA A 4.13 ambi=1 { CA:57.3 } :: atom: 317 34R-HG3 G 1.78 ambi=2 { CG:28.3 } atom: 327 35Q-HA A 4.13 ambi=1 { CA:57.3 } ::sumAvg: 4.99 atom: 316 34R-HG2 G 1.33 ambi=2 { CG:28.3 } atom: 366 38E-HA A 4.32 ambi=1 { CA:58.2 } :: atom: 317 34R-HG3 G 1.78 ambi=2 { CG:28.3 } atom: 366 38E-HA A 4.32 ambi=1 { CA:58.2 } ::sumAvg: 4.865 atom: 316 34R-HG2 G 1.33 ambi=2 { CG:28.3 } atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } :: atom: 317 34R-HG3 G 1.78 ambi=2 { CG:28.3 } atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } ::sumAvg: 4.735 atom: 366 38E-HA A 4.32 ambi=1 { CA:58.2 } atom: 326 35Q-H N 7.87 ambi=1 { N:119.3 } ::sumAvg: 4.7 atom: 327 35Q-HA A 4.13 ambi=1 { CA:57.3 } atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } ::sumAvg: 4.655 atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } atom: 327 35Q-HA A 4.13 ambi=1 { CA:57.3 } ::sumAvg: 4.655 atom: 327 35Q-HA A 4.13 ambi=1 { CA:57.3 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 4.845 atom: 327 35Q-HA A 4.13 ambi=1 { CA:57.3 } atom: 365 38E-H N 7.31 ambi=1 { N:111.3 } ::sumAvg: 3.855 atom: 369 38E-HG2 G 1.84 ambi=2 { CG:36.5 } atom: 327 35Q-HA A 4.13 ambi=1 { CA:57.3 } :: atom: 370 38E-HG3 G 2.21 ambi=2 { CG:36.5 } atom: 327 35Q-HA A 4.13 ambi=1 { CA:57.3 } ::sumAvg: 4.795 atom: 328 35Q-HB2 B 1.75 ambi=2 { CB:27 } atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } :: atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } ::sumAvg: 4.275 atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } atom: 328 35Q-HB2 B 1.75 ambi=2 { CB:27 } :: atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } ::sumAvg: 4.275 atom: 328 35Q-HB2 B 1.75 ambi=2 { CB:27 } atom: 338 36I-HG12 G1 1.11 ambi=2 { CG1:27.7 } :: atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } atom: 338 36I-HG12 G1 1.11 ambi=2 { CG1:27.7 } :: atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } atom: 339 36I-HG13 G1 1.37 ambi=2 { CG1:27.7 } ::sumAvg: 3.95 atom: 338 36I-HG12 G1 1.11 ambi=2 { CG1:27.7 } atom: 328 35Q-HB2 B 1.75 ambi=2 { CB:27 } :: atom: 338 36I-HG12 G1 1.11 ambi=2 { CG1:27.7 } atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } :: atom: 339 36I-HG13 G1 1.37 ambi=2 { CG1:27.7 } atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } ::sumAvg: 3.95 atom: 328 35Q-HB2 B 1.75 ambi=2 { CB:27 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } :: atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } ::sumAvg: 4.48 atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } atom: 328 35Q-HB2 B 1.75 ambi=2 { CB:27 } :: atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } ::sumAvg: 4.48 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 328 35Q-HB2 B 1.75 ambi=2 { CB:27 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 328 35Q-HB2 B 1.75 ambi=2 { CB:27 } :: atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } ::sumAvg: 3.63 atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } atom: 1587 143P-QG G 1.61 ambi=2 { CG:29.5 } ::sumAvg: 4.96 atom: 1587 143P-QG G 1.61 ambi=2 { CG:29.5 } atom: 329 35Q-HB3 B 2.16 ambi=2 { CB:27 } ::sumAvg: 4.96 atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } ::sumAvg: 4.94 atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } :: atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } atom: 335 36I-H N 7.84 ambi=1 { N:115.4 } ::sumAvg: 4.85 atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 3.55 atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } atom: 350 37F-HA A 4.73 ambi=1 { CA:57.3 } ::sumAvg: 4.575 atom: 350 37F-HA A 4.73 ambi=1 { CA:57.3 } atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } ::sumAvg: 4.575 atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } atom: 365 38E-H N 7.31 ambi=1 { N:111.3 } ::sumAvg: 4.435 atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } :: atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } ::sumAvg: 4.835 atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } :: atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } ::sumAvg: 4.835 atom: 336 36I-HA A 3.43 ambi=1 { CA:61.9 } atom: 1085 96H-HD2 D2 7.31 ambi=1 { CD2:119.9 } ::sumAvg: 3.42 atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } ::sumAvg: 2.83 atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } atom: 350 37F-HA A 4.73 ambi=1 { CA:57.3 } ::sumAvg: 4.525 atom: 350 37F-HA A 4.73 ambi=1 { CA:57.3 } atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } ::sumAvg: 4.525 atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } :: atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } ::sumAvg: 4.31 atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 4.065 atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } :: atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } ::sumAvg: 4.845 atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } :: atom: 337 36I-HB B 1.45 ambi=1 { CB:37.2 } atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } ::sumAvg: 3.115 atom: 338 36I-HG12 G1 1.11 ambi=2 { CG1:27.7 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } :: atom: 339 36I-HG13 G1 1.37 ambi=2 { CG1:27.7 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 4.265 atom: 338 36I-HG12 G1 1.11 ambi=2 { CG1:27.7 } atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } :: atom: 339 36I-HG13 G1 1.37 ambi=2 { CG1:27.7 } atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } ::sumAvg: 4.085 atom: 339 36I-HG13 G1 1.37 ambi=2 { CG1:27.7 } atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } :: atom: 339 36I-HG13 G1 1.37 ambi=2 { CG1:27.7 } atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } ::sumAvg: 2.825 atom: 338 36I-HG12 G1 1.11 ambi=2 { CG1:27.7 } atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } ::sumAvg: 4.49 atom: 339 36I-HG13 G1 1.37 ambi=2 { CG1:27.7 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } ::sumAvg: 4.43 atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } atom: 350 37F-HA A 4.73 ambi=1 { CA:57.3 } ::sumAvg: 3.42 atom: 350 37F-HA A 4.73 ambi=1 { CA:57.3 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } ::sumAvg: 3.42 atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } ::sumAvg: 4.22 atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 3.375 atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } ::sumAvg: 3.775 atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } ::sumAvg: 4.775 atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } ::sumAvg: 4.775 atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } ::sumAvg: 4.6 atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } ::sumAvg: 4.6 atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } ::sumAvg: 2.835 atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 4.345 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } ::sumAvg: 4.345 atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } atom: 340 36I-HG2 G2 -0.08 ambi=1 { CG2:17.2 } ::sumAvg: 4.735 atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 4.605 atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } ::sumAvg: 4.925 atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } atom: 710 67V-HB B 2.39 ambi=1 { CB:31.2 } ::sumAvg: 4.28 atom: 710 67V-HB B 2.39 ambi=1 { CB:31.2 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } ::sumAvg: 4.28 atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } :: atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } ::sumAvg: 3.745 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } ::sumAvg: 3.745 atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } atom: 1585 143P-HB2 B 1.17 ambi=2 { CB:31.4 } :: atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } atom: 1586 143P-HB3 B 1.26 ambi=2 { CB:31.4 } ::sumAvg: 4.975 atom: 1585 143P-HB2 B 1.17 ambi=2 { CB:31.4 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } :: atom: 1586 143P-HB3 B 1.26 ambi=2 { CB:31.4 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } ::sumAvg: 4.975 atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } atom: 1587 143P-QG G 1.61 ambi=2 { CG:29.5 } ::sumAvg: 3.78 atom: 1587 143P-QG G 1.61 ambi=2 { CG:29.5 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } ::sumAvg: 3.78 atom: 1589 143P-HD2 D 3.04 ambi=2 { CD:50.9 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } :: atom: 1590 143P-HD3 D 3.83 ambi=2 { CD:50.9 } atom: 341 36I-HD1 D1 0.5 ambi=1 { CD1:11.3 } ::sumAvg: 4.2 atom: 350 37F-HA A 4.73 ambi=1 { CA:57.3 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 2.92 atom: 366 38E-HA A 4.32 ambi=1 { CA:58.2 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 4.425 atom: 367 38E-HB2 B 2.34 ambi=2 { CB:26.1 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } :: atom: 368 38E-HB3 B 2.53 ambi=2 { CB:26.1 } atom: 349 37F-H N 8.28 ambi=1 { N:109 } ::sumAvg: 4.955 atom: 367 38E-HB2 B 2.34 ambi=2 { CB:26.1 } atom: 350 37F-HA A 4.73 ambi=1 { CA:57.3 } :: atom: 368 38E-HB3 B 2.53 ambi=2 { CB:26.1 } atom: 350 37F-HA A 4.73 ambi=1 { CA:57.3 } ::sumAvg: 4.51 atom: 350 37F-HA A 4.73 ambi=1 { CA:57.3 } atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } ::sumAvg: 4.305 atom: 350 37F-HA A 4.73 ambi=1 { CA:57.3 } atom: 824 76Y-QD D 7.16 ambi=3 {attached_atom is not_assigned} ::sumAvg: 4.34 atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 4.365 atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 377 39R-HA A 4.49 ambi=1 { CA:54.6 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 377 39R-HA A 4.49 ambi=1 { CA:54.6 } ::sumAvg: 4.29 atom: 377 39R-HA A 4.49 ambi=1 { CA:54.6 } atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } :: atom: 377 39R-HA A 4.49 ambi=1 { CA:54.6 } atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } ::sumAvg: 4.29 atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } :: atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } ::sumAvg: 4.52 atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } :: atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } :: atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } :: atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } ::sumAvg: 4.52 atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 380 39R-HG2 G 1.19 ambi=2 { CG:25.4 } :: atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 381 39R-HG3 G 1.49 ambi=2 { CG:25.4 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 380 39R-HG2 G 1.19 ambi=2 { CG:25.4 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 381 39R-HG3 G 1.49 ambi=2 { CG:25.4 } ::sumAvg: 4.775 atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 392 40D-H N 8.36 ambi=1 { N:117.3 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 392 40D-H N 8.36 ambi=1 { N:117.3 } ::sumAvg: 4.745 atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 400 41I-H N 7.08 ambi=1 { N:120.4 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 400 41I-H N 7.08 ambi=1 { N:120.4 } ::sumAvg: 4.945 atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } :: atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } :: atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } :: atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } ::sumAvg: 4.36 atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } ::sumAvg: 4.535 atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.78 atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } :: atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 351 37F-HB2 B 3.2 ambi=2 { CB:40 } :: atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } :: atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 352 37F-HB3 B 3.25 ambi=2 { CB:40 } ::sumAvg: 4.78 atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } :: atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } ::sumAvg: 4.63 atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } :: atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } ::sumAvg: 4.285 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } ::sumAvg: 4.73 atom: 810 75L-HG G 1.26 ambi=1 { CG:27 } atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } ::sumAvg: 4.365 atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } :: atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } ::sumAvg: 3.9 atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } ::sumAvg: 4.605 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 353 37F-QD D 7.31 ambi=3 { CD1:131.6 } ::sumAvg: 4.505 atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 4.305 atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 4.385 atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 4.35 atom: 497 49I-HD1 D1 0.79 ambi=1 { CD1:12.5 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 4.76 atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 3.94 atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } :: atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 2.695 atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 4.64 atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 4.63 atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } :: atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 2.255 atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 4.675 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 3.505 atom: 810 75L-HG G 1.26 ambi=1 { CG:27 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 4.045 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 355 37F-QE E 7.38 ambi=3 { CE1:131.8 } ::sumAvg: 2.86 atom: 366 38E-HA A 4.32 ambi=1 { CA:58.2 } atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } :: atom: 366 38E-HA A 4.32 ambi=1 { CA:58.2 } atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } ::sumAvg: 4.565 atom: 367 38E-HB2 B 2.34 ambi=2 { CB:26.1 } atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } :: atom: 368 38E-HB3 B 2.53 ambi=2 { CB:26.1 } atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } ::sumAvg: 4.065 atom: 367 38E-HB2 B 2.34 ambi=2 { CB:26.1 } atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } :: atom: 368 38E-HB3 B 2.53 ambi=2 { CB:26.1 } atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } :: atom: 368 38E-HB3 B 2.53 ambi=2 { CB:26.1 } atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } ::sumAvg: 4.715 atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } atom: 367 38E-HB2 B 2.34 ambi=2 { CB:26.1 } :: atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } atom: 368 38E-HB3 B 2.53 ambi=2 { CB:26.1 } :: atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } atom: 368 38E-HB3 B 2.53 ambi=2 { CB:26.1 } ::sumAvg: 4.715 atom: 369 38E-HG2 G 1.84 ambi=2 { CG:36.5 } atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } :: atom: 370 38E-HG3 G 2.21 ambi=2 { CG:36.5 } atom: 376 39R-H N 7.53 ambi=1 { N:113.7 } ::sumAvg: 4.665 atom: 394 40D-HB2 B 2.53 ambi=2 { CB:40.8 } atom: 377 39R-HA A 4.49 ambi=1 { CA:54.6 } :: atom: 395 40D-HB3 B 2.69 ambi=2 { CB:40.8 } atom: 377 39R-HA A 4.49 ambi=1 { CA:54.6 } ::sumAvg: 4.795 atom: 377 39R-HA A 4.49 ambi=1 { CA:54.6 } atom: 384 39R-HE E 7.15 ambi=1 { NE:85.1 } ::sumAvg: 4.38 atom: 377 39R-HA A 4.49 ambi=1 { CA:54.6 } atom: 400 41I-H N 7.08 ambi=1 { N:120.4 } ::sumAvg: 4.91 atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } atom: 393 40D-HA A 4.67 ambi=1 { CA:54.1 } :: atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } atom: 393 40D-HA A 4.67 ambi=1 { CA:54.1 } ::sumAvg: 4.39 atom: 393 40D-HA A 4.67 ambi=1 { CA:54.1 } atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } :: atom: 393 40D-HA A 4.67 ambi=1 { CA:54.1 } atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } ::sumAvg: 4.39 atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } atom: 384 39R-HE E 7.15 ambi=1 { NE:85.1 } :: atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } atom: 384 39R-HE E 7.15 ambi=1 { NE:85.1 } ::sumAvg: 3.155 atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } atom: 400 41I-H N 7.08 ambi=1 { N:120.4 } :: atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } atom: 400 41I-H N 7.08 ambi=1 { N:120.4 } ::sumAvg: 4.01 atom: 378 39R-HB2 B 1.7 ambi=2 { CB:32 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } :: atom: 379 39R-HB3 B 2.02 ambi=2 { CB:32 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } ::sumAvg: 4.43 atom: 380 39R-HG2 G 1.19 ambi=2 { CG:25.4 } atom: 384 39R-HE E 7.15 ambi=1 { NE:85.1 } :: atom: 381 39R-HG3 G 1.49 ambi=2 { CG:25.4 } atom: 384 39R-HE E 7.15 ambi=1 { NE:85.1 } ::sumAvg: 2.75 atom: 382 39R-QD D 3.06 ambi=2 { CD:43.5 } atom: 393 40D-HA A 4.67 ambi=1 { CA:54.1 } ::sumAvg: 4.68 atom: 393 40D-HA A 4.67 ambi=1 { CA:54.1 } atom: 382 39R-QD D 3.06 ambi=2 { CD:43.5 } ::sumAvg: 4.68 atom: 382 39R-QD D 3.06 ambi=2 { CD:43.5 } atom: 400 41I-H N 7.08 ambi=1 { N:120.4 } ::sumAvg: 4.64 atom: 382 39R-QD D 3.06 ambi=2 { CD:43.5 } atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } ::sumAvg: 4.79 atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } atom: 382 39R-QD D 3.06 ambi=2 { CD:43.5 } ::sumAvg: 4.79 atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 382 39R-QD D 3.06 ambi=2 { CD:43.5 } :: atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } atom: 382 39R-QD D 3.06 ambi=2 { CD:43.5 } ::sumAvg: 4.9 atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 392 40D-H N 8.36 ambi=1 { N:117.3 } :: atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } atom: 392 40D-H N 8.36 ambi=1 { N:117.3 } ::sumAvg: 4.765 atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } atom: 392 40D-H N 8.36 ambi=1 { N:117.3 } ::sumAvg: 4.405 atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } ::sumAvg: 4.37 atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } ::sumAvg: 4.035 atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } ::sumAvg: 3.895 atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 401 41I-HA A 4.06 ambi=1 { CA:60.5 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.355 atom: 578 56V-HA A 4.22 ambi=1 { CA:63.6 } atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 4.79 atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } atom: 578 56V-HA A 4.22 ambi=1 { CA:63.6 } ::sumAvg: 4.79 atom: 578 56V-HA A 4.22 ambi=1 { CA:63.6 } atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } ::sumAvg: 4.24 atom: 578 56V-HA A 4.22 ambi=1 { CA:63.6 } atom: 624 60D-HB2 B 2.45 ambi=2 { CB:41.9 } :: atom: 578 56V-HA A 4.22 ambi=1 { CA:63.6 } atom: 625 60D-HB3 B 2.71 ambi=2 { CB:41.9 } ::sumAvg: 4.335 atom: 578 56V-HA A 4.22 ambi=1 { CA:63.6 } atom: 622 60D-H N 8.4 ambi=1 { N:121.1 } ::sumAvg: 3.415 atom: 633 61I-HG2 G2 0.79 ambi=1 { CG2:16.8 } atom: 578 56V-HA A 4.22 ambi=1 { CA:63.6 } ::sumAvg: 4.515 atom: 578 56V-HA A 4.22 ambi=1 { CA:63.6 } atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } ::sumAvg: 4.895 atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } ::sumAvg: 4.025 atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } atom: 630 61I-H N 7.02 ambi=1 { N:107.6 } ::sumAvg: 4.42 atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } ::sumAvg: 4.955 atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } ::sumAvg: 4.8 atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } atom: 690 66F-H N 8.64 ambi=1 { N:122.9 } ::sumAvg: 4.945 atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } ::sumAvg: 4.57 atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } ::sumAvg: 3.225 atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 4.395 atom: 402 41I-HB B 1.43 ambi=1 { CB:38 } atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } ::sumAvg: 4.845 atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } atom: 402 41I-HB B 1.43 ambi=1 { CB:38 } ::sumAvg: 4.845 atom: 402 41I-HB B 1.43 ambi=1 { CB:38 } atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } ::sumAvg: 4.88 atom: 402 41I-HB B 1.43 ambi=1 { CB:38 } atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } ::sumAvg: 3.63 atom: 402 41I-HB B 1.43 ambi=1 { CB:38 } atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } ::sumAvg: 3.38 atom: 402 41I-HB B 1.43 ambi=1 { CB:38 } atom: 497 49I-HD1 D1 0.79 ambi=1 { CD1:12.5 } ::sumAvg: 4.36 atom: 402 41I-HB B 1.43 ambi=1 { CB:38 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 402 41I-HB B 1.43 ambi=1 { CB:38 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 3.68 atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 414 42T-H N 7.83 ambi=1 { N:115.9 } :: atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } atom: 414 42T-H N 7.83 ambi=1 { N:115.9 } ::sumAvg: 3.97 atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } :: atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } ::sumAvg: 4.49 atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } :: atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } ::sumAvg: 4.455 atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } :: atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } ::sumAvg: 4.455 atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } :: atom: 404 41I-HG13 G1 0.5 ambi=2 { CG1:25.9 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 4.275 atom: 403 41I-HG12 G1 0.35 ambi=2 { CG1:25.9 } atom: 497 49I-HD1 D1 0.79 ambi=1 { CD1:12.5 } ::sumAvg: 4.5 atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } ::sumAvg: 4.95 atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } ::sumAvg: 4.95 atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } ::sumAvg: 4.115 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } ::sumAvg: 4.335 atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } atom: 810 75L-HG G 1.26 ambi=1 { CG:27 } ::sumAvg: 4.29 atom: 810 75L-HG G 1.26 ambi=1 { CG:27 } atom: 405 41I-HG2 G2 0.35 ambi=1 { CG2:17.8 } ::sumAvg: 4.29 atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } ::sumAvg: 4.715 atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } ::sumAvg: 4.715 atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } ::sumAvg: 4.795 atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } ::sumAvg: 4.615 atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } ::sumAvg: 4.615 atom: 494 49I-HG12 G1 1.19 ambi=2 { CG1:28.3 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } :: atom: 495 49I-HG13 G1 1.48 ambi=2 { CG1:28.3 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } ::sumAvg: 4.025 atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } ::sumAvg: 3.81 atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 406 41I-HD1 D1 -0.09 ambi=1 { CD1:13.2 } ::sumAvg: 3.81 atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 414 42T-H N 7.83 ambi=1 { N:115.9 } :: atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 414 42T-H N 7.83 ambi=1 { N:115.9 } ::sumAvg: 4.825 atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } atom: 427 43K-QG G 1.36 ambi=2 { CG:24.8 } ::sumAvg: 4.685 atom: 427 43K-QG G 1.36 ambi=2 { CG:24.8 } atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } ::sumAvg: 4.685 atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } atom: 429 43K-QD D 1.63 ambi=2 { CD:29 } ::sumAvg: 4.84 atom: 429 43K-QD D 1.63 ambi=2 { CD:29 } atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } ::sumAvg: 4.84 atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } atom: 440 44A-H N 7.93 ambi=1 { N:121.3 } ::sumAvg: 4.68 atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } ::sumAvg: 4.81 atom: 415 42T-HA A 3.95 ambi=1 { CA:63.2 } atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } ::sumAvg: 4.495 atom: 416 42T-HB B 4.22 ambi=1 { CB:70 } atom: 440 44A-H N 7.93 ambi=1 { N:121.3 } ::sumAvg: 4.84 atom: 416 42T-HB B 4.22 ambi=1 { CB:70 } atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } ::sumAvg: 4.805 atom: 416 42T-HB B 4.22 ambi=1 { CB:70 } atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } ::sumAvg: 4.79 atom: 416 42T-HB B 4.22 ambi=1 { CB:70 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } ::sumAvg: 4.015 atom: 416 42T-HB B 4.22 ambi=1 { CB:70 } atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } ::sumAvg: 4.44 atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } atom: 424 43K-HA A 4.03 ambi=1 { CA:57.8 } ::sumAvg: 4.48 atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } atom: 425 43K-HB2 B 1.73 ambi=2 { CB:32 } :: atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } atom: 426 43K-HB3 B 1.79 ambi=2 { CB:32 } ::sumAvg: 4.15 atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } atom: 429 43K-QD D 1.63 ambi=2 { CD:29 } ::sumAvg: 4.895 atom: 429 43K-QD D 1.63 ambi=2 { CD:29 } atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } ::sumAvg: 4.895 atom: 431 43K-QE E 2.94 ambi=2 { CE:42 } atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } ::sumAvg: 4.46 atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } atom: 440 44A-H N 7.93 ambi=1 { N:121.3 } ::sumAvg: 4.365 atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } ::sumAvg: 4.285 atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } ::sumAvg: 4.845 atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } ::sumAvg: 4.845 atom: 417 42T-HG2 G2 1.16 ambi=1 { CG2:21.9 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } ::sumAvg: 3.99 atom: 442 44A-HB B 1.16 ambi=1 { CB:18.7 } atom: 423 43K-H N 8.13 ambi=1 { N:119.9 } ::sumAvg: 4.915 atom: 442 44A-HB B 1.16 ambi=1 { CB:18.7 } atom: 424 43K-HA A 4.03 ambi=1 { CA:57.8 } ::sumAvg: 4.4 atom: 424 43K-HA A 4.03 ambi=1 { CA:57.8 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } ::sumAvg: 4.86 atom: 431 43K-QE E 2.94 ambi=2 { CE:42 } atom: 425 43K-HB2 B 1.73 ambi=2 { CB:32 } :: atom: 431 43K-QE E 2.94 ambi=2 { CE:42 } atom: 426 43K-HB3 B 1.79 ambi=2 { CB:32 } ::sumAvg: 2.955 atom: 442 44A-HB B 1.16 ambi=1 { CB:18.7 } atom: 425 43K-HB2 B 1.73 ambi=2 { CB:32 } :: atom: 442 44A-HB B 1.16 ambi=1 { CB:18.7 } atom: 426 43K-HB3 B 1.79 ambi=2 { CB:32 } ::sumAvg: 4.265 atom: 425 43K-HB2 B 1.73 ambi=2 { CB:32 } atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } :: atom: 426 43K-HB3 B 1.79 ambi=2 { CB:32 } atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } ::sumAvg: 4.64 atom: 427 43K-QG G 1.36 ambi=2 { CG:24.8 } atom: 440 44A-H N 7.93 ambi=1 { N:121.3 } ::sumAvg: 3.755 atom: 427 43K-QG G 1.36 ambi=2 { CG:24.8 } atom: 441 44A-HA A 4.16 ambi=1 { CA:52.9 } ::sumAvg: 4.91 atom: 441 44A-HA A 4.16 ambi=1 { CA:52.9 } atom: 427 43K-QG G 1.36 ambi=2 { CG:24.8 } ::sumAvg: 4.91 atom: 427 43K-QG G 1.36 ambi=2 { CG:24.8 } atom: 447 45Y-H N 7.75 ambi=1 { N:117.8 } ::sumAvg: 4.045 atom: 429 43K-QD D 1.63 ambi=2 { CD:29 } atom: 442 44A-HB B 1.16 ambi=1 { CB:18.7 } ::sumAvg: 4.87 atom: 442 44A-HB B 1.16 ambi=1 { CB:18.7 } atom: 429 43K-QD D 1.63 ambi=2 { CD:29 } ::sumAvg: 4.87 atom: 448 45Y-HA A 4.33 ambi=1 { CA:58.7 } atom: 440 44A-H N 7.93 ambi=1 { N:121.3 } ::sumAvg: 4.615 atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } atom: 440 44A-H N 7.93 ambi=1 { N:121.3 } ::sumAvg: 4.32 atom: 441 44A-HA A 4.16 ambi=1 { CA:52.9 } atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } ::sumAvg: 4.755 atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } atom: 441 44A-HA A 4.16 ambi=1 { CA:52.9 } ::sumAvg: 4.755 atom: 442 44A-HB B 1.16 ambi=1 { CB:18.7 } atom: 448 45Y-HA A 4.33 ambi=1 { CA:58.7 } ::sumAvg: 4.39 atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } atom: 442 44A-HB B 1.16 ambi=1 { CB:18.7 } ::sumAvg: 4.61 atom: 448 45Y-HA A 4.33 ambi=1 { CA:58.7 } atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } ::sumAvg: 4.895 atom: 448 45Y-HA A 4.33 ambi=1 { CA:58.7 } atom: 497 49I-HD1 D1 0.79 ambi=1 { CD1:12.5 } ::sumAvg: 4.6 atom: 497 49I-HD1 D1 0.79 ambi=1 { CD1:12.5 } atom: 448 45Y-HA A 4.33 ambi=1 { CA:58.7 } ::sumAvg: 4.6 atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } ::sumAvg: 3.945 atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } ::sumAvg: 4.59 atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } atom: 465 46S-HB2 B 3.77 ambi=2 { CB:64.2 } :: atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } atom: 466 46S-HB3 B 4.02 ambi=2 { CB:64.2 } ::sumAvg: 4.32 atom: 465 46S-HB2 B 3.77 ambi=2 { CB:64.2 } atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } :: atom: 466 46S-HB3 B 4.02 ambi=2 { CB:64.2 } atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } ::sumAvg: 4.32 atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } ::sumAvg: 3.63 atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } ::sumAvg: 3.63 atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 3.475 atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 449 45Y-QB B 2.89 ambi=2 { CB:38.6 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 3.47 atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } ::sumAvg: 4.735 atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } ::sumAvg: 4.74 atom: 494 49I-HG12 G1 1.19 ambi=2 { CG1:28.3 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } :: atom: 495 49I-HG13 G1 1.48 ambi=2 { CG1:28.3 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } ::sumAvg: 4.81 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 451 45Y-QD D 6.91 ambi=3 { CD1:132.9 } ::sumAvg: 4.815 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 453 45Y-QE E 6.7 ambi=3 { CE1:118.3 } ::sumAvg: 4.49 atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } ::sumAvg: 4.73 atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } atom: 473 47Q-QG G 2.42 ambi=2 { CG:33.9 } ::sumAvg: 4.605 atom: 473 47Q-QG G 2.42 ambi=2 { CG:33.9 } atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } ::sumAvg: 4.605 atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } ::sumAvg: 4.405 atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } ::sumAvg: 4.22 atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } ::sumAvg: 4.055 atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } ::sumAvg: 4.055 atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 4.985 atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } ::sumAvg: 4.985 atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } atom: 497 49I-HD1 D1 0.79 ambi=1 { CD1:12.5 } ::sumAvg: 4.25 atom: 497 49I-HD1 D1 0.79 ambi=1 { CD1:12.5 } atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } ::sumAvg: 4.25 atom: 464 46S-HA A 4.34 ambi=1 { CA:58.1 } atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } ::sumAvg: 4.95 atom: 465 46S-HB2 B 3.77 ambi=2 { CB:64.2 } atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } :: atom: 466 46S-HB3 B 4.02 ambi=2 { CB:64.2 } atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } ::sumAvg: 4.84 atom: 465 46S-HB2 B 3.77 ambi=2 { CB:64.2 } atom: 473 47Q-QG G 2.42 ambi=2 { CG:33.9 } :: atom: 466 46S-HB3 B 4.02 ambi=2 { CB:64.2 } atom: 473 47Q-QG G 2.42 ambi=2 { CG:33.9 } ::sumAvg: 4.89 atom: 465 46S-HB2 B 3.77 ambi=2 { CB:64.2 } atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } :: atom: 466 46S-HB3 B 4.02 ambi=2 { CB:64.2 } atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } ::sumAvg: 4.555 atom: 465 46S-HB2 B 3.77 ambi=2 { CB:64.2 } atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } :: atom: 466 46S-HB3 B 4.02 ambi=2 { CB:64.2 } atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } ::sumAvg: 4.195 atom: 465 46S-HB2 B 3.77 ambi=2 { CB:64.2 } atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } :: atom: 466 46S-HB3 B 4.02 ambi=2 { CB:64.2 } atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } ::sumAvg: 3.94 atom: 465 46S-HB2 B 3.77 ambi=2 { CB:64.2 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } :: atom: 466 46S-HB3 B 4.02 ambi=2 { CB:64.2 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 4.59 atom: 465 46S-HB2 B 3.77 ambi=2 { CB:64.2 } atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } :: atom: 466 46S-HB3 B 4.02 ambi=2 { CB:64.2 } atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } ::sumAvg: 4.465 atom: 470 47Q-HA A 4.1 ambi=1 { CA:59 } atom: 475 47Q-HE21 E2 7.5 ambi=1 { NE2:112.2 } :: atom: 470 47Q-HA A 4.1 ambi=1 { CA:59 } atom: 476 47Q-HE22 E2 6.85 ambi=1 { NE2:112.2 } ::sumAvg: 4.2 atom: 470 47Q-HA A 4.1 ambi=1 { CA:59 } atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } ::sumAvg: 3.46 atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } atom: 470 47Q-HA A 4.1 ambi=1 { CA:59 } ::sumAvg: 4.925 atom: 470 47Q-HA A 4.1 ambi=1 { CA:59 } atom: 513 51Y-H N 8.3 ambi=1 { N:122 } ::sumAvg: 4.29 atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } atom: 475 47Q-HE21 E2 7.5 ambi=1 { NE2:112.2 } :: atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } atom: 476 47Q-HE22 E2 6.85 ambi=1 { NE2:112.2 } ::sumAvg: 2.775 atom: 484 48S-HA A 4.34 ambi=1 { CA:61.2 } atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } ::sumAvg: 4.07 atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } ::sumAvg: 4.34 atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } :: atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } ::sumAvg: 4.81 atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 471 47Q-QB B 2.12 ambi=2 { CB:28.3 } ::sumAvg: 4.81 atom: 473 47Q-QG G 2.42 ambi=2 { CG:33.9 } atom: 484 48S-HA A 4.34 ambi=1 { CA:61.2 } ::sumAvg: 4.49 atom: 484 48S-HA A 4.34 ambi=1 { CA:61.2 } atom: 473 47Q-QG G 2.42 ambi=2 { CG:33.9 } ::sumAvg: 4.49 atom: 473 47Q-QG G 2.42 ambi=2 { CG:33.9 } atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } ::sumAvg: 4.425 atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } ::sumAvg: 4.92 atom: 494 49I-HG12 G1 1.19 ambi=2 { CG1:28.3 } atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } :: atom: 495 49I-HG13 G1 1.48 ambi=2 { CG1:28.3 } atom: 483 48S-H N 8.28 ambi=1 { N:114.3 } ::sumAvg: 3.985 atom: 484 48S-HA A 4.34 ambi=1 { CA:61.2 } atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } ::sumAvg: 4.515 atom: 484 48S-HA A 4.34 ambi=1 { CA:61.2 } atom: 529 52L-H N 7.75 ambi=1 { N:121.9 } ::sumAvg: 4.025 atom: 484 48S-HA A 4.34 ambi=1 { CA:61.2 } atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } ::sumAvg: 4.235 atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } atom: 484 48S-HA A 4.34 ambi=1 { CA:61.2 } ::sumAvg: 4.235 atom: 485 48S-QB B 3.97 ambi=2 { CB:62.8 } atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } ::sumAvg: 4.965 atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } atom: 485 48S-QB B 3.97 ambi=2 { CB:62.8 } ::sumAvg: 4.965 atom: 485 48S-QB B 3.97 ambi=2 { CB:62.8 } atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } :: atom: 485 48S-QB B 3.97 ambi=2 { CB:62.8 } atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } ::sumAvg: 3.99 atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 485 48S-QB B 3.97 ambi=2 { CB:62.8 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 485 48S-QB B 3.97 ambi=2 { CB:62.8 } ::sumAvg: 3.99 atom: 485 48S-QB B 3.97 ambi=2 { CB:62.8 } atom: 529 52L-H N 7.75 ambi=1 { N:121.9 } ::sumAvg: 4.815 atom: 485 48S-QB B 3.97 ambi=2 { CB:62.8 } atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } ::sumAvg: 3.91 atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } atom: 485 48S-QB B 3.97 ambi=2 { CB:62.8 } ::sumAvg: 3.91 atom: 485 48S-QB B 3.97 ambi=2 { CB:62.8 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 485 48S-QB B 3.97 ambi=2 { CB:62.8 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 3.825 atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 491 49I-H N 7.59 ambi=1 { N:119.9 } ::sumAvg: 4.845 atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } ::sumAvg: 3.55 atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } atom: 513 51Y-H N 8.3 ambi=1 { N:122 } ::sumAvg: 4.3 atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } :: atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } ::sumAvg: 4.95 atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } ::sumAvg: 4.95 atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } :: atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } ::sumAvg: 3.065 atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 4.23 atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 4.785 atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } :: atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } atom: 492 49I-HA A 4.23 ambi=1 { CA:62.9 } ::sumAvg: 3.85 atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } atom: 506 50S-HA A 4.14 ambi=1 { CA:62.1 } ::sumAvg: 4.2 atom: 506 50S-HA A 4.14 ambi=1 { CA:62.1 } atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } ::sumAvg: 4.2 atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } atom: 507 50S-HB2 B 3.95 ambi=2 { CB:62.6 } :: atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } atom: 508 50S-HB3 B 4.05 ambi=2 { CB:62.6 } ::sumAvg: 4.495 atom: 507 50S-HB2 B 3.95 ambi=2 { CB:62.6 } atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } :: atom: 508 50S-HB3 B 4.05 ambi=2 { CB:62.6 } atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } ::sumAvg: 4.495 atom: 493 49I-HB B 1.97 ambi=1 { CB:37.5 } atom: 513 51Y-H N 8.3 ambi=1 { N:122 } ::sumAvg: 4.75 atom: 494 49I-HG12 G1 1.19 ambi=2 { CG1:28.3 } atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } :: atom: 495 49I-HG13 G1 1.48 ambi=2 { CG1:28.3 } atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } ::sumAvg: 4.015 atom: 495 49I-HG13 G1 1.48 ambi=2 { CG1:28.3 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 495 49I-HG13 G1 1.48 ambi=2 { CG1:28.3 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 4.295 atom: 494 49I-HG12 G1 1.19 ambi=2 { CG1:28.3 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 494 49I-HG12 G1 1.19 ambi=2 { CG1:28.3 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } :: atom: 495 49I-HG13 G1 1.48 ambi=2 { CG1:28.3 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 495 49I-HG13 G1 1.48 ambi=2 { CG1:28.3 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.55 atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } atom: 506 50S-HA A 4.14 ambi=1 { CA:62.1 } ::sumAvg: 3.465 atom: 506 50S-HA A 4.14 ambi=1 { CA:62.1 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 3.465 atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } atom: 513 51Y-H N 8.3 ambi=1 { N:122 } ::sumAvg: 4.865 atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } :: atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 3.935 atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 4.045 atom: 545 53E-HB2 B 2.18 ambi=2 { CB:29.5 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } :: atom: 546 53E-HB3 B 2.54 ambi=2 { CB:29.5 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 3.715 atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 3.14 atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 496 49I-HG2 G2 0.9 ambi=1 { CG2:18.2 } ::sumAvg: 4.93 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 497 49I-HD1 D1 0.79 ambi=1 { CD1:12.5 } ::sumAvg: 4.535 atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 505 50S-H N 8.01 ambi=1 { N:116.8 } ::sumAvg: 4.745 atom: 506 50S-HA A 4.14 ambi=1 { CA:62.1 } atom: 529 52L-H N 7.75 ambi=1 { N:121.9 } ::sumAvg: 4.495 atom: 507 50S-HB2 B 3.95 ambi=2 { CB:62.6 } atom: 514 51Y-HA A 4.41 ambi=1 { CA:60.9 } ::sumAvg: 4.32 atom: 514 51Y-HA A 4.41 ambi=1 { CA:60.9 } atom: 507 50S-HB2 B 3.95 ambi=2 { CB:62.6 } ::sumAvg: 4.32 atom: 507 50S-HB2 B 3.95 ambi=2 { CB:62.6 } atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } :: atom: 507 50S-HB2 B 3.95 ambi=2 { CB:62.6 } atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } :: atom: 508 50S-HB3 B 4.05 ambi=2 { CB:62.6 } atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } :: atom: 508 50S-HB3 B 4.05 ambi=2 { CB:62.6 } atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } ::sumAvg: 4.885 atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 507 50S-HB2 B 3.95 ambi=2 { CB:62.6 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 507 50S-HB2 B 3.95 ambi=2 { CB:62.6 } :: atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 508 50S-HB3 B 4.05 ambi=2 { CB:62.6 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 508 50S-HB3 B 4.05 ambi=2 { CB:62.6 } ::sumAvg: 4.885 atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } atom: 513 51Y-H N 8.3 ambi=1 { N:122 } :: atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } atom: 513 51Y-H N 8.3 ambi=1 { N:122 } ::sumAvg: 4.805 atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } atom: 513 51Y-H N 8.3 ambi=1 { N:122 } ::sumAvg: 4.485 atom: 514 51Y-HA A 4.41 ambi=1 { CA:60.9 } atom: 519 51Y-QE E 6.79 ambi=3 { CE1:118.3 } ::sumAvg: 4.57 atom: 514 51Y-HA A 4.41 ambi=1 { CA:60.9 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 4.44 atom: 514 51Y-HA A 4.41 ambi=1 { CA:60.9 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } ::sumAvg: 3.47 atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } atom: 514 51Y-HA A 4.41 ambi=1 { CA:60.9 } ::sumAvg: 3.47 atom: 514 51Y-HA A 4.41 ambi=1 { CA:60.9 } atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } ::sumAvg: 4.345 atom: 514 51Y-HA A 4.41 ambi=1 { CA:60.9 } atom: 566 55Q-HG2 G 2.03 ambi=2 { CG:34.8 } :: atom: 514 51Y-HA A 4.41 ambi=1 { CA:60.9 } atom: 567 55Q-HG3 G 2.18 ambi=2 { CG:34.8 } ::sumAvg: 4.805 atom: 566 55Q-HG2 G 2.03 ambi=2 { CG:34.8 } atom: 514 51Y-HA A 4.41 ambi=1 { CA:60.9 } :: atom: 567 55Q-HG3 G 2.18 ambi=2 { CG:34.8 } atom: 514 51Y-HA A 4.41 ambi=1 { CA:60.9 } ::sumAvg: 4.805 atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 519 51Y-QE E 6.79 ambi=3 { CE1:118.3 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 519 51Y-QE E 6.79 ambi=3 { CE1:118.3 } ::sumAvg: 4.385 atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } ::sumAvg: 4.275 atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } :: atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } ::sumAvg: 4.275 atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } :: atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } ::sumAvg: 4.785 atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } :: atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } :: atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } :: atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } ::sumAvg: 4.785 atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } ::sumAvg: 3.37 atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } :: atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } ::sumAvg: 3.37 atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 3.87 atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } :: atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } :: atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } :: atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } ::sumAvg: 3.87 atom: 515 51Y-HB2 B 3.09 ambi=2 { CB:37.7 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } :: atom: 516 51Y-HB3 B 3.22 ambi=2 { CB:37.7 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 4.91 atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 517 51Y-QD D 7.13 ambi=3 { CD1:133.1 } ::sumAvg: 3.785 atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } atom: 517 51Y-QD D 7.13 ambi=3 { CD1:133.1 } ::sumAvg: 3.485 atom: 566 55Q-HG2 G 2.03 ambi=2 { CG:34.8 } atom: 517 51Y-QD D 7.13 ambi=3 { CD1:133.1 } :: atom: 567 55Q-HG3 G 2.18 ambi=2 { CG:34.8 } atom: 517 51Y-QD D 7.13 ambi=3 { CD1:133.1 } ::sumAvg: 3.815 atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 519 51Y-QE E 6.79 ambi=3 { CE1:118.3 } ::sumAvg: 4.995 atom: 566 55Q-HG2 G 2.03 ambi=2 { CG:34.8 } atom: 519 51Y-QE E 6.79 ambi=3 { CE1:118.3 } :: atom: 567 55Q-HG3 G 2.18 ambi=2 { CG:34.8 } atom: 519 51Y-QE E 6.79 ambi=3 { CE1:118.3 } ::sumAvg: 3.64 atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 3.525 atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } ::sumAvg: 4.795 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } ::sumAvg: 4.795 atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 554 54S-H N 8.09 ambi=1 { N:114.7 } ::sumAvg: 4.455 atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 568 55Q-HE21 E2 7 ambi=2 { NE2:109.6 } :: atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 569 55Q-HE22 E2 6.47 ambi=2 { NE2:109.6 } ::sumAvg: 3.86 atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } ::sumAvg: 4.15 atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 4.72 atom: 634 61I-HD1 D1 0.8 ambi=1 { CD1:13.3 } atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } ::sumAvg: 3.275 atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } ::sumAvg: 4.265 atom: 530 52L-HA A 4.18 ambi=1 { CA:57.7 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 4.135 atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } :: atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } ::sumAvg: 4.98 atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } :: atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } ::sumAvg: 4.98 atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } :: atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } ::sumAvg: 4.295 atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } :: atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } ::sumAvg: 4.99 atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } :: atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 4.42 atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } ::sumAvg: 4.6 atom: 634 61I-HD1 D1 0.8 ambi=1 { CD1:13.3 } atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } :: atom: 634 61I-HD1 D1 0.8 ambi=1 { CD1:13.3 } atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } ::sumAvg: 3.25 atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } :: atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } ::sumAvg: 4.325 atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } :: atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } ::sumAvg: 4.415 atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } :: atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } ::sumAvg: 4.71 atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 531 52L-HB2 B 1.78 ambi=2 { CB:42.5 } :: atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 532 52L-HB3 B 2.19 ambi=2 { CB:42.5 } ::sumAvg: 4.71 atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 4.255 atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } :: atom: 533 52L-HG G 1.94 ambi=1 { CG:27 } atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } ::sumAvg: 4.855 atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } :: atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 3.83 atom: 566 55Q-HG2 G 2.03 ambi=2 { CG:34.8 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 567 55Q-HG3 G 2.18 ambi=2 { CG:34.8 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 566 55Q-HG2 G 2.03 ambi=2 { CG:34.8 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } :: atom: 567 55Q-HG3 G 2.18 ambi=2 { CG:34.8 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 3.585 atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } atom: 568 55Q-HE21 E2 7 ambi=2 { NE2:109.6 } :: atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } atom: 569 55Q-HE22 E2 6.47 ambi=2 { NE2:109.6 } :: atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } atom: 568 55Q-HE21 E2 7 ambi=2 { NE2:109.6 } :: atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } atom: 569 55Q-HE22 E2 6.47 ambi=2 { NE2:109.6 } ::sumAvg: 3.76 atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 3.575 atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } :: atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } ::sumAvg: 4.19 atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 2.55 atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } :: atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } :: atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } :: atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } ::sumAvg: 4.615 atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 534 52L-HD1 D1 0.97 ambi=2 { CD1:25.6 } :: atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 535 52L-HD2 D2 0.99 ambi=2 { CD2:24.7 } ::sumAvg: 4.615 atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 4.86 atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } :: atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } atom: 543 53E-H N 8.85 ambi=1 { N:119.4 } ::sumAvg: 4.26 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } ::sumAvg: 4.445 atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } ::sumAvg: 4.445 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 554 54S-H N 8.09 ambi=1 { N:114.7 } ::sumAvg: 3.55 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } ::sumAvg: 4.76 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } ::sumAvg: 4.41 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } ::sumAvg: 3.735 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } ::sumAvg: 4 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } ::sumAvg: 4.485 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } ::sumAvg: 4.535 atom: 544 53E-HA A 3.72 ambi=1 { CA:59.6 } atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } ::sumAvg: 3.68 atom: 545 53E-HB2 B 2.18 ambi=2 { CB:29.5 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } :: atom: 546 53E-HB3 B 2.54 ambi=2 { CB:29.5 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } ::sumAvg: 4.63 atom: 546 53E-HB3 B 2.54 ambi=2 { CB:29.5 } atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } ::sumAvg: 4.985 atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } atom: 546 53E-HB3 B 2.54 ambi=2 { CB:29.5 } ::sumAvg: 4.985 atom: 545 53E-HB2 B 2.18 ambi=2 { CB:29.5 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } :: atom: 546 53E-HB3 B 2.54 ambi=2 { CB:29.5 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 3.955 atom: 545 53E-HB2 B 2.18 ambi=2 { CB:29.5 } atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } :: atom: 546 53E-HB3 B 2.54 ambi=2 { CB:29.5 } atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } ::sumAvg: 4 atom: 547 53E-HG2 G 2.12 ambi=2 { CG:37.9 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } :: atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } ::sumAvg: 4.76 atom: 547 53E-HG2 G 2.12 ambi=2 { CG:37.9 } atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } :: atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } ::sumAvg: 4.76 atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } ::sumAvg: 3.485 atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } ::sumAvg: 3.485 atom: 547 53E-HG2 G 2.12 ambi=2 { CG:37.9 } atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } :: atom: 547 53E-HG2 G 2.12 ambi=2 { CG:37.9 } atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } :: atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } :: atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } ::sumAvg: 4.25 atom: 547 53E-HG2 G 2.12 ambi=2 { CG:37.9 } atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } :: atom: 548 53E-HG3 G 2.36 ambi=2 { CG:37.9 } atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } ::sumAvg: 4.605 atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } atom: 554 54S-H N 8.09 ambi=1 { N:114.7 } :: atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } atom: 554 54S-H N 8.09 ambi=1 { N:114.7 } ::sumAvg: 4.805 atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } atom: 554 54S-H N 8.09 ambi=1 { N:114.7 } ::sumAvg: 4.61 atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } ::sumAvg: 4.62 atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 4.54 atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } :: atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } ::sumAvg: 4.54 atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } ::sumAvg: 3.46 atom: 592 57R-HG2 G 1.36 ambi=2 { CG:29.7 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } :: atom: 593 57R-HG3 G 1.55 ambi=2 { CG:29.7 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } ::sumAvg: 3.465 atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } :: atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } ::sumAvg: 4.045 atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } :: atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } ::sumAvg: 4.045 atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } ::sumAvg: 3.89 atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } ::sumAvg: 4.06 atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } atom: 608 58N-HD21 D2 7.87 ambi=2 { ND2:113.2 } :: atom: 555 54S-HA A 4.14 ambi=1 { CA:61.9 } atom: 609 58N-HD22 D2 6.79 ambi=2 { ND2:113.2 } ::sumAvg: 4.985 atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } :: atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } ::sumAvg: 4.965 atom: 566 55Q-HG2 G 2.03 ambi=2 { CG:34.8 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } :: atom: 567 55Q-HG3 G 2.18 ambi=2 { CG:34.8 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } ::sumAvg: 3.995 atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } atom: 568 55Q-HE21 E2 7 ambi=2 { NE2:109.6 } :: atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } atom: 569 55Q-HE22 E2 6.47 ambi=2 { NE2:109.6 } ::sumAvg: 4.8 atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } atom: 606 58N-HB2 B 2.78 ambi=2 { CB:38.9 } :: atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } atom: 607 58N-HB3 B 2.87 ambi=2 { CB:38.9 } ::sumAvg: 4.93 atom: 606 58N-HB2 B 2.78 ambi=2 { CB:38.9 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } :: atom: 607 58N-HB3 B 2.87 ambi=2 { CB:38.9 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } ::sumAvg: 4.93 atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } ::sumAvg: 4.905 atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } ::sumAvg: 4.35 atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } ::sumAvg: 4.995 atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } atom: 608 58N-HD21 D2 7.87 ambi=2 { ND2:113.2 } :: atom: 556 54S-QB B 3.97 ambi=2 { CB:62.6 } atom: 609 58N-HD22 D2 6.79 ambi=2 { ND2:113.2 } ::sumAvg: 4.345 atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } :: atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } atom: 562 55Q-H N 7.6 ambi=1 { N:119.6 } ::sumAvg: 3.97 atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } atom: 568 55Q-HE21 E2 7 ambi=2 { NE2:109.6 } :: atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } atom: 569 55Q-HE22 E2 6.47 ambi=2 { NE2:109.6 } ::sumAvg: 3.86 atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } ::sumAvg: 3.56 atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } atom: 606 58N-HB2 B 2.78 ambi=2 { CB:38.9 } :: atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } atom: 607 58N-HB3 B 2.87 ambi=2 { CB:38.9 } ::sumAvg: 3.58 atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } ::sumAvg: 4.385 atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } ::sumAvg: 3.64 atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } atom: 608 58N-HD21 D2 7.87 ambi=2 { ND2:113.2 } :: atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } atom: 609 58N-HD22 D2 6.79 ambi=2 { ND2:113.2 } ::sumAvg: 4.435 atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } ::sumAvg: 4.75 atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } atom: 622 60D-H N 8.4 ambi=1 { N:121.1 } ::sumAvg: 3.93 atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } atom: 630 61I-H N 7.02 ambi=1 { N:107.6 } ::sumAvg: 4.54 atom: 633 61I-HG2 G2 0.79 ambi=1 { CG2:16.8 } atom: 563 55Q-HA A 4.22 ambi=1 { CA:59.2 } ::sumAvg: 4.685 atom: 578 56V-HA A 4.22 ambi=1 { CA:63.6 } atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } :: atom: 578 56V-HA A 4.22 ambi=1 { CA:63.6 } atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } ::sumAvg: 4.19 atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } :: atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } ::sumAvg: 4.265 atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } :: atom: 579 56V-HB B 1.24 ambi=1 { CB:31.8 } atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } ::sumAvg: 4.265 atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } atom: 568 55Q-HE21 E2 7 ambi=2 { NE2:109.6 } :: atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } atom: 569 55Q-HE22 E2 6.47 ambi=2 { NE2:109.6 } :: atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } atom: 568 55Q-HE21 E2 7 ambi=2 { NE2:109.6 } :: atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } atom: 569 55Q-HE22 E2 6.47 ambi=2 { NE2:109.6 } ::sumAvg: 2.925 atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } :: atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 4.26 atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } :: atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } ::sumAvg: 4.805 atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } atom: 630 61I-H N 7.02 ambi=1 { N:107.6 } :: atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } atom: 630 61I-H N 7.02 ambi=1 { N:107.6 } ::sumAvg: 3.365 atom: 564 55Q-HB2 B 1.79 ambi=2 { CB:30.1 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } :: atom: 565 55Q-HB3 B 2.4 ambi=2 { CB:30.1 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } ::sumAvg: 4.69 atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } atom: 577 56V-H N 7.94 ambi=1 { N:120.4 } ::sumAvg: 4.38 atom: 605 58N-HA A 4.67 ambi=1 { CA:53.2 } atom: 617 59G-HA2 A 3.87 ambi=2 { CA:45.4 } :: atom: 605 58N-HA A 4.67 ambi=1 { CA:53.2 } atom: 618 59G-HA3 A 4.15 ambi=2 { CA:45.4 } ::sumAvg: 4.485 atom: 617 59G-HA2 A 3.87 ambi=2 { CA:45.4 } atom: 605 58N-HA A 4.67 ambi=1 { CA:53.2 } :: atom: 618 59G-HA3 A 4.15 ambi=2 { CA:45.4 } atom: 605 58N-HA A 4.67 ambi=1 { CA:53.2 } ::sumAvg: 4.485 atom: 607 58N-HB3 B 2.87 ambi=2 { CB:38.9 } atom: 624 60D-HB2 B 2.45 ambi=2 { CB:41.9 } ::sumAvg: 3.66 atom: 624 60D-HB2 B 2.45 ambi=2 { CB:41.9 } atom: 607 58N-HB3 B 2.87 ambi=2 { CB:38.9 } ::sumAvg: 3.66 atom: 617 59G-HA2 A 3.87 ambi=2 { CA:45.4 } atom: 606 58N-HB2 B 2.78 ambi=2 { CB:38.9 } :: atom: 618 59G-HA3 A 4.15 ambi=2 { CA:45.4 } atom: 606 58N-HB2 B 2.78 ambi=2 { CB:38.9 } :: atom: 617 59G-HA2 A 3.87 ambi=2 { CA:45.4 } atom: 607 58N-HB3 B 2.87 ambi=2 { CB:38.9 } :: atom: 618 59G-HA3 A 4.15 ambi=2 { CA:45.4 } atom: 607 58N-HB3 B 2.87 ambi=2 { CB:38.9 } ::sumAvg: 4.855 atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 3.245 atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } :: atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } ::sumAvg: 4.415 atom: 617 59G-HA2 A 3.87 ambi=2 { CA:45.4 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 618 59G-HA3 A 4.15 ambi=2 { CA:45.4 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 617 59G-HA2 A 3.87 ambi=2 { CA:45.4 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } :: atom: 618 59G-HA3 A 4.15 ambi=2 { CA:45.4 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 4.08 atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } :: atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } ::sumAvg: 4.665 atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 4.665 atom: 633 61I-HG2 G2 0.79 ambi=1 { CG2:16.8 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } ::sumAvg: 4.975 atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } :: atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } ::sumAvg: 3.605 atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 3.605 atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } :: atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } ::sumAvg: 4.92 atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 4.92 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 4.185 atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } :: atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } ::sumAvg: 3.81 atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } :: atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 3.39 atom: 580 56V-HG1 G1 -0.02 ambi=2 { CG1:19.7 } atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } :: atom: 581 56V-HG2 G2 0.58 ambi=2 { CG2:22.5 } atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } ::sumAvg: 3.84 atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } :: atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } atom: 588 57R-H N 8.16 ambi=1 { N:123.8 } ::sumAvg: 4.63 atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } atom: 605 58N-HA A 4.67 ambi=1 { CA:53.2 } ::sumAvg: 4.665 atom: 605 58N-HA A 4.67 ambi=1 { CA:53.2 } atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } ::sumAvg: 4.665 atom: 589 57R-HA A 3.7 ambi=1 { CA:60.2 } atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } ::sumAvg: 4.075 atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } atom: 605 58N-HA A 4.67 ambi=1 { CA:53.2 } ::sumAvg: 4.18 atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } atom: 606 58N-HB2 B 2.78 ambi=2 { CB:38.9 } :: atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } atom: 607 58N-HB3 B 2.87 ambi=2 { CB:38.9 } ::sumAvg: 4.505 atom: 606 58N-HB2 B 2.78 ambi=2 { CB:38.9 } atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } :: atom: 607 58N-HB3 B 2.87 ambi=2 { CB:38.9 } atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } ::sumAvg: 4.505 atom: 594 57R-HD2 D 3.14 ambi=2 { CD:43.2 } atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } :: atom: 595 57R-HD3 D 3.27 ambi=2 { CD:43.2 } atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } ::sumAvg: 2.445 atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } atom: 596 57R-HE E 7.93 ambi=1 { NE:84.9 } ::sumAvg: 2.985 atom: 590 57R-QB B 1.8 ambi=2 { CB:30.6 } atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } ::sumAvg: 4.61 atom: 592 57R-HG2 G 1.36 ambi=2 { CG:29.7 } atom: 605 58N-HA A 4.67 ambi=1 { CA:53.2 } :: atom: 593 57R-HG3 G 1.55 ambi=2 { CG:29.7 } atom: 605 58N-HA A 4.67 ambi=1 { CA:53.2 } ::sumAvg: 4.95 atom: 605 58N-HA A 4.67 ambi=1 { CA:53.2 } atom: 592 57R-HG2 G 1.36 ambi=2 { CG:29.7 } :: atom: 605 58N-HA A 4.67 ambi=1 { CA:53.2 } atom: 593 57R-HG3 G 1.55 ambi=2 { CG:29.7 } ::sumAvg: 4.95 atom: 617 59G-HA2 A 3.87 ambi=2 { CA:45.4 } atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } :: atom: 618 59G-HA3 A 4.15 ambi=2 { CA:45.4 } atom: 604 58N-H N 7.8 ambi=1 { N:113.4 } ::sumAvg: 4.72 atom: 624 60D-HB2 B 2.45 ambi=2 { CB:41.9 } atom: 631 61I-HA A 4.66 ambi=1 { CA:58.6 } :: atom: 625 60D-HB3 B 2.71 ambi=2 { CB:41.9 } atom: 631 61I-HA A 4.66 ambi=1 { CA:58.6 } ::sumAvg: 4.625 atom: 631 61I-HA A 4.66 ambi=1 { CA:58.6 } atom: 624 60D-HB2 B 2.45 ambi=2 { CB:41.9 } :: atom: 631 61I-HA A 4.66 ambi=1 { CA:58.6 } atom: 625 60D-HB3 B 2.71 ambi=2 { CB:41.9 } ::sumAvg: 4.625 atom: 634 61I-HD1 D1 0.8 ambi=1 { CD1:13.3 } atom: 624 60D-HB2 B 2.45 ambi=2 { CB:41.9 } :: atom: 634 61I-HD1 D1 0.8 ambi=1 { CD1:13.3 } atom: 625 60D-HB3 B 2.71 ambi=2 { CB:41.9 } ::sumAvg: 4.625 atom: 624 60D-HB2 B 2.45 ambi=2 { CB:41.9 } atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } :: atom: 625 60D-HB3 B 2.71 ambi=2 { CB:41.9 } atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } ::sumAvg: 4.515 atom: 623 60D-HA A 4.36 ambi=1 { CA:57 } atom: 616 59G-H N 7.42 ambi=1 { N:106.3 } ::sumAvg: 4.98 atom: 617 59G-HA2 A 3.87 ambi=2 { CA:45.4 } atom: 623 60D-HA A 4.36 ambi=1 { CA:57 } ::sumAvg: 4.53 atom: 623 60D-HA A 4.36 ambi=1 { CA:57 } atom: 617 59G-HA2 A 3.87 ambi=2 { CA:45.4 } ::sumAvg: 4.53 atom: 617 59G-HA2 A 3.87 ambi=2 { CA:45.4 } atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } ::sumAvg: 4.965 atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } atom: 617 59G-HA2 A 3.87 ambi=2 { CA:45.4 } ::sumAvg: 4.965 atom: 633 61I-HG2 G2 0.79 ambi=1 { CG2:16.8 } atom: 622 60D-H N 8.4 ambi=1 { N:121.1 } ::sumAvg: 4.555 atom: 623 60D-HA A 4.36 ambi=1 { CA:57 } atom: 633 61I-HG2 G2 0.79 ambi=1 { CG2:16.8 } ::sumAvg: 4.365 atom: 633 61I-HG2 G2 0.79 ambi=1 { CG2:16.8 } atom: 623 60D-HA A 4.36 ambi=1 { CA:57 } ::sumAvg: 4.365 atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } :: atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } ::sumAvg: 2.595 atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } atom: 741 69R-HD3 D 3.33 ambi=2 { CD:43.7 } :: atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } atom: 740 69R-HD2 D 2.89 ambi=2 { CD:43.7 } ::sumAvg: 3.255 atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } ::sumAvg: 3.515 atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } ::sumAvg: 4.53 atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } :: atom: 774 72K-HB3 B 2.02 ambi=2 { CB:34.8 } atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } ::sumAvg: 3.495 atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } atom: 777 72K-QE E 2.46 ambi=2 { CE:42.1 } ::sumAvg: 4.115 atom: 777 72K-QE E 2.46 ambi=2 { CE:42.1 } atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } ::sumAvg: 4.115 atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } :: atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } ::sumAvg: 3.265 atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } :: atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } ::sumAvg: 4.2 atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } :: atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } ::sumAvg: 4.2 atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } :: atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } ::sumAvg: 2.79 atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } :: atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } ::sumAvg: 3.795 atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } :: atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } ::sumAvg: 3.795 atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } :: atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } :: atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } :: atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } ::sumAvg: 4.07 atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } atom: 630 61I-H N 7.02 ambi=1 { N:107.6 } ::sumAvg: 3.79 atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } atom: 630 61I-H N 7.02 ambi=1 { N:107.6 } ::sumAvg: 4.945 atom: 631 61I-HA A 4.66 ambi=1 { CA:58.6 } atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } ::sumAvg: 4.33 atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 631 61I-HA A 4.66 ambi=1 { CA:58.6 } ::sumAvg: 4.33 atom: 631 61I-HA A 4.66 ambi=1 { CA:58.6 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 3.96 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 631 61I-HA A 4.66 ambi=1 { CA:58.6 } ::sumAvg: 3.96 atom: 631 61I-HA A 4.66 ambi=1 { CA:58.6 } atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } ::sumAvg: 4.44 atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } atom: 631 61I-HA A 4.66 ambi=1 { CA:58.6 } ::sumAvg: 4.44 atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } ::sumAvg: 4.67 atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } ::sumAvg: 4.67 atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } ::sumAvg: 4.665 atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } ::sumAvg: 4.665 atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } ::sumAvg: 4.385 atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } ::sumAvg: 3.215 atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } ::sumAvg: 3.215 atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } atom: 690 66F-H N 8.64 ambi=1 { N:122.9 } ::sumAvg: 4.26 atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } ::sumAvg: 4.985 atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } ::sumAvg: 4.985 atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } :: atom: 632 61I-HB B 1.88 ambi=1 { CB:41.5 } atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } ::sumAvg: 4.665 atom: 633 61I-HG2 G2 0.79 ambi=1 { CG2:16.8 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 3.39 atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } atom: 634 61I-HD1 D1 0.8 ambi=1 { CD1:13.3 } :: atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } atom: 634 61I-HD1 D1 0.8 ambi=1 { CD1:13.3 } ::sumAvg: 4.315 atom: 634 61I-HD1 D1 0.8 ambi=1 { CD1:13.3 } atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } ::sumAvg: 4.915 atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } atom: 634 61I-HD1 D1 0.8 ambi=1 { CD1:13.3 } ::sumAvg: 4.915 atom: 634 61I-HD1 D1 0.8 ambi=1 { CD1:13.3 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 4.075 atom: 738 69R-HG2 G 1.76 ambi=2 { CG:28.7 } atom: 634 61I-HD1 D1 0.8 ambi=1 { CD1:13.3 } :: atom: 739 69R-HG3 G 2.02 ambi=2 { CG:28.7 } atom: 634 61I-HD1 D1 0.8 ambi=1 { CD1:13.3 } ::sumAvg: 4.195 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 641 62S-H N 8.3 ambi=1 { N:117.5 } ::sumAvg: 2.87 atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } ::sumAvg: 4.495 atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } ::sumAvg: 4.3 atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } ::sumAvg: 4.755 atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 4.77 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 642 62S-HA A 4.52 ambi=1 { CA:56.5 } ::sumAvg: 4.77 atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } ::sumAvg: 4.63 atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } ::sumAvg: 4.63 atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } ::sumAvg: 4.22 atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } ::sumAvg: 2.94 atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 666 64K-HG2 G 0.84 ambi=2 { CG:24.4 } :: atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 667 64K-HG3 G 1.23 ambi=2 { CG:24.4 } ::sumAvg: 4.04 atom: 666 64K-HG2 G 0.84 ambi=2 { CG:24.4 } atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } :: atom: 667 64K-HG3 G 1.23 ambi=2 { CG:24.4 } atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } ::sumAvg: 4.04 atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 668 64K-HD2 D 1.52 ambi=2 { CD:29.7 } :: atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 669 64K-HD3 D 1.68 ambi=2 { CD:29.7 } ::sumAvg: 4.675 atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } ::sumAvg: 3.31 atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 3.91 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } ::sumAvg: 3.91 atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } ::sumAvg: 4.105 atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } ::sumAvg: 4.31 atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } ::sumAvg: 4.31 atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } ::sumAvg: 4.555 atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } atom: 643 62S-QB B 4.01 ambi=2 { CB:65.9 } ::sumAvg: 4.555 atom: 664 64K-QB B 2.37 ambi=2 { CB:33.4 } atom: 649 63M-H N 8.63 ambi=1 { N:120.9 } ::sumAvg: 4.5 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } ::sumAvg: 2.425 atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } ::sumAvg: 3.47 atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } ::sumAvg: 4.83 atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } ::sumAvg: 4.83 atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } ::sumAvg: 4.32 atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 4.985 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } ::sumAvg: 4.985 atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } ::sumAvg: 3.86 atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } ::sumAvg: 3.795 atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } :: atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } ::sumAvg: 3.895 atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } :: atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } atom: 650 63M-HA A 4.6 ambi=1 { CA:56.6 } ::sumAvg: 3.895 atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } ::sumAvg: 4.06 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } ::sumAvg: 4.785 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } ::sumAvg: 4.63 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } :: atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } ::sumAvg: 3.52 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } ::sumAvg: 4.33 atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } ::sumAvg: 4.33 atom: 1545 139E-HB2 B 2.01 ambi=2 { CB:31.4 } atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } :: atom: 1546 139E-HB3 B 2.34 ambi=2 { CB:31.4 } atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } ::sumAvg: 4.74 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 1554 140E-H N 8.25 ambi=1 { N:111.2 } ::sumAvg: 4.685 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } ::sumAvg: 3.095 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } ::sumAvg: 4.33 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } ::sumAvg: 4.985 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } ::sumAvg: 4.945 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } ::sumAvg: 3.95 atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 651 63M-QB B 1.61 ambi=2 { CB:29 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 3.79 atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } :: atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } ::sumAvg: 4.12 atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } ::sumAvg: 4.39 atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } :: atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } ::sumAvg: 3.725 atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } ::sumAvg: 4.135 atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } ::sumAvg: 4.98 atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } :: atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } ::sumAvg: 4.735 atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } ::sumAvg: 4.14 atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } :: atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } ::sumAvg: 3.13 atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 3.01 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } :: atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } ::sumAvg: 3.01 atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 1589 143P-HD2 D 3.04 ambi=2 { CD:50.9 } :: atom: 653 63M-HG2 G 1.88 ambi=2 { CG:28.7 } atom: 1590 143P-HD3 D 3.83 ambi=2 { CD:50.9 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 1589 143P-HD2 D 3.04 ambi=2 { CD:50.9 } :: atom: 654 63M-HG3 G 2.37 ambi=2 { CG:28.7 } atom: 1590 143P-HD3 D 3.83 ambi=2 { CD:50.9 } ::sumAvg: 4.165 atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } :: atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } ::sumAvg: 3.35 atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } :: atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } ::sumAvg: 4.895 atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } ::sumAvg: 3.875 atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } atom: 1589 143P-HD2 D 3.04 ambi=2 { CD:50.9 } :: atom: 655 63M-HE E 1.6 ambi=1 { CE:15.4 } atom: 1590 143P-HD3 D 3.83 ambi=2 { CD:50.9 } ::sumAvg: 4.6 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } ::sumAvg: 4.675 atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } :: atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } ::sumAvg: 4.77 atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } ::sumAvg: 4.115 atom: 1545 139E-HB2 B 2.01 ambi=2 { CB:31.4 } atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } :: atom: 1546 139E-HB3 B 2.34 ambi=2 { CB:31.4 } atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } ::sumAvg: 3.645 atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } atom: 662 64K-H N 8.12 ambi=1 { N:121.8 } ::sumAvg: 4.885 atom: 666 64K-HG2 G 0.84 ambi=2 { CG:24.4 } atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } :: atom: 667 64K-HG3 G 1.23 ambi=2 { CG:24.4 } atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } ::sumAvg: 3.06 atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } atom: 670 64K-HE2 E 2.65 ambi=2 { CE:42.2 } :: atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } atom: 671 64K-HE3 E 2.76 ambi=2 { CE:42.2 } ::sumAvg: 4.89 atom: 670 64K-HE2 E 2.65 ambi=2 { CE:42.2 } atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } :: atom: 671 64K-HE3 E 2.76 ambi=2 { CE:42.2 } atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } ::sumAvg: 4.89 atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } ::sumAvg: 3.525 atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } ::sumAvg: 3.885 atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } :: atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } ::sumAvg: 3.49 atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } ::sumAvg: 4.72 atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } atom: 663 64K-HA A 4.02 ambi=1 { CA:59.8 } ::sumAvg: 4.72 atom: 664 64K-QB B 2.37 ambi=2 { CB:33.4 } atom: 668 64K-HD2 D 1.52 ambi=2 { CD:29.7 } :: atom: 664 64K-QB B 2.37 ambi=2 { CB:33.4 } atom: 669 64K-HD3 D 1.68 ambi=2 { CD:29.7 } ::sumAvg: 2.29 atom: 664 64K-QB B 2.37 ambi=2 { CB:33.4 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } ::sumAvg: 2.85 atom: 664 64K-QB B 2.37 ambi=2 { CB:33.4 } atom: 690 66F-H N 8.64 ambi=1 { N:122.9 } ::sumAvg: 4.75 atom: 664 64K-QB B 2.37 ambi=2 { CB:33.4 } atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } ::sumAvg: 2.99 atom: 666 64K-HG2 G 0.84 ambi=2 { CG:24.4 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } :: atom: 667 64K-HG3 G 1.23 ambi=2 { CG:24.4 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } ::sumAvg: 4.985 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 666 64K-HG2 G 0.84 ambi=2 { CG:24.4 } :: atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 667 64K-HG3 G 1.23 ambi=2 { CG:24.4 } ::sumAvg: 4.17 atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } atom: 666 64K-HG2 G 0.84 ambi=2 { CG:24.4 } ::sumAvg: 4.93 atom: 666 64K-HG2 G 0.84 ambi=2 { CG:24.4 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } ::sumAvg: 4.645 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 666 64K-HG2 G 0.84 ambi=2 { CG:24.4 } ::sumAvg: 4.645 atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } atom: 666 64K-HG2 G 0.84 ambi=2 { CG:24.4 } :: atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } atom: 667 64K-HG3 G 1.23 ambi=2 { CG:24.4 } ::sumAvg: 4.64 atom: 1545 139E-HB2 B 2.01 ambi=2 { CB:31.4 } atom: 666 64K-HG2 G 0.84 ambi=2 { CG:24.4 } :: atom: 1546 139E-HB3 B 2.34 ambi=2 { CB:31.4 } atom: 666 64K-HG2 G 0.84 ambi=2 { CG:24.4 } :: atom: 1545 139E-HB2 B 2.01 ambi=2 { CB:31.4 } atom: 667 64K-HG3 G 1.23 ambi=2 { CG:24.4 } :: atom: 1546 139E-HB3 B 2.34 ambi=2 { CB:31.4 } atom: 667 64K-HG3 G 1.23 ambi=2 { CG:24.4 } ::sumAvg: 4.835 atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } atom: 668 64K-HD2 D 1.52 ambi=2 { CD:29.7 } :: atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } atom: 669 64K-HD3 D 1.68 ambi=2 { CD:29.7 } ::sumAvg: 4.605 atom: 668 64K-HD2 D 1.52 ambi=2 { CD:29.7 } atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } :: atom: 669 64K-HD3 D 1.68 ambi=2 { CD:29.7 } atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } ::sumAvg: 4.82 atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 668 64K-HD2 D 1.52 ambi=2 { CD:29.7 } :: atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 669 64K-HD3 D 1.68 ambi=2 { CD:29.7 } ::sumAvg: 4.82 atom: 1545 139E-HB2 B 2.01 ambi=2 { CB:31.4 } atom: 668 64K-HD2 D 1.52 ambi=2 { CD:29.7 } :: atom: 1546 139E-HB3 B 2.34 ambi=2 { CB:31.4 } atom: 668 64K-HD2 D 1.52 ambi=2 { CD:29.7 } :: atom: 1546 139E-HB3 B 2.34 ambi=2 { CB:31.4 } atom: 669 64K-HD3 D 1.68 ambi=2 { CD:29.7 } ::sumAvg: 3.6 atom: 1547 139E-HG2 G 2.35 ambi=2 { CG:36.8 } atom: 668 64K-HD2 D 1.52 ambi=2 { CD:29.7 } :: atom: 1548 139E-HG3 G 2.49 ambi=2 { CG:36.8 } atom: 668 64K-HD2 D 1.52 ambi=2 { CD:29.7 } :: atom: 1547 139E-HG2 G 2.35 ambi=2 { CG:36.8 } atom: 669 64K-HD3 D 1.68 ambi=2 { CD:29.7 } :: atom: 1548 139E-HG3 G 2.49 ambi=2 { CG:36.8 } atom: 669 64K-HD3 D 1.68 ambi=2 { CD:29.7 } ::sumAvg: 4.73 atom: 670 64K-HE2 E 2.65 ambi=2 { CE:42.2 } atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } :: atom: 671 64K-HE3 E 2.76 ambi=2 { CE:42.2 } atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } ::sumAvg: 4.52 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 670 64K-HE2 E 2.65 ambi=2 { CE:42.2 } :: atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 671 64K-HE3 E 2.76 ambi=2 { CE:42.2 } ::sumAvg: 4.52 atom: 670 64K-HE2 E 2.65 ambi=2 { CE:42.2 } atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } :: atom: 671 64K-HE3 E 2.76 ambi=2 { CE:42.2 } atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } ::sumAvg: 4.475 atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 670 64K-HE2 E 2.65 ambi=2 { CE:42.2 } :: atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 671 64K-HE3 E 2.76 ambi=2 { CE:42.2 } ::sumAvg: 4.475 atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } atom: 670 64K-HE2 E 2.65 ambi=2 { CE:42.2 } :: atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } atom: 671 64K-HE3 E 2.76 ambi=2 { CE:42.2 } ::sumAvg: 4.715 atom: 670 64K-HE2 E 2.65 ambi=2 { CE:42.2 } atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } :: atom: 671 64K-HE3 E 2.76 ambi=2 { CE:42.2 } atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } ::sumAvg: 4.06 atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 670 64K-HE2 E 2.65 ambi=2 { CE:42.2 } :: atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 671 64K-HE3 E 2.76 ambi=2 { CE:42.2 } ::sumAvg: 4.06 atom: 670 64K-HE2 E 2.65 ambi=2 { CE:42.2 } atom: 1497 134A-HA A 4 ambi=1 { CA:55.7 } :: atom: 671 64K-HE3 E 2.76 ambi=2 { CE:42.2 } atom: 1497 134A-HA A 4 ambi=1 { CA:55.7 } ::sumAvg: 4.645 atom: 1497 134A-HA A 4 ambi=1 { CA:55.7 } atom: 670 64K-HE2 E 2.65 ambi=2 { CE:42.2 } :: atom: 1497 134A-HA A 4 ambi=1 { CA:55.7 } atom: 671 64K-HE3 E 2.76 ambi=2 { CE:42.2 } ::sumAvg: 4.645 atom: 670 64K-HE2 E 2.65 ambi=2 { CE:42.2 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } :: atom: 671 64K-HE3 E 2.76 ambi=2 { CE:42.2 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } ::sumAvg: 3.73 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 670 64K-HE2 E 2.65 ambi=2 { CE:42.2 } :: atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 671 64K-HE3 E 2.76 ambi=2 { CE:42.2 } ::sumAvg: 3.73 atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } :: atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } ::sumAvg: 4.705 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } ::sumAvg: 4.935 atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } :: atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } atom: 679 65E-H N 7.58 ambi=1 { N:117.1 } ::sumAvg: 4.86 atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } ::sumAvg: 4.615 atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } ::sumAvg: 3.45 atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } ::sumAvg: 3.03 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } ::sumAvg: 3.03 atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } ::sumAvg: 3.38 atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } ::sumAvg: 3.38 atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } :: atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } ::sumAvg: 3.555 atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } atom: 726 68R-HE E 7.85 ambi=1 { NE:78.7 } ::sumAvg: 4.165 atom: 680 65E-HA A 4.07 ambi=1 { CA:57.6 } atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } ::sumAvg: 3.99 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } ::sumAvg: 3.95 atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 3.95 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } :: atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } ::sumAvg: 4.165 atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } :: atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 4.165 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } ::sumAvg: 4.98 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } ::sumAvg: 4.915 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } ::sumAvg: 4.875 atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } ::sumAvg: 4.875 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 726 68R-HE E 7.85 ambi=1 { NE:78.7 } ::sumAvg: 4.985 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } ::sumAvg: 4.83 atom: 681 65E-QB B 2.07 ambi=2 { CB:29.5 } atom: 742 69R-HE E 8.29 ambi=1 { NE:85.9 } ::sumAvg: 4.755 atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } atom: 690 66F-H N 8.64 ambi=1 { N:122.9 } ::sumAvg: 3.975 atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } ::sumAvg: 4.66 atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } ::sumAvg: 4.66 atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } ::sumAvg: 4.405 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } ::sumAvg: 4.405 atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } ::sumAvg: 4.785 atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } ::sumAvg: 4.785 atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } :: atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } ::sumAvg: 4.79 atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } atom: 726 68R-HE E 7.85 ambi=1 { NE:78.7 } ::sumAvg: 4.355 atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } atom: 738 69R-HG2 G 1.76 ambi=2 { CG:28.7 } ::sumAvg: 4.88 atom: 738 69R-HG2 G 1.76 ambi=2 { CG:28.7 } atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } ::sumAvg: 4.88 atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } atom: 741 69R-HD3 D 3.33 ambi=2 { CD:43.7 } :: atom: 683 65E-QG G 2.4 ambi=2 { CG:35.3 } atom: 740 69R-HD2 D 2.89 ambi=2 { CD:43.7 } ::sumAvg: 4.935 atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } :: atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } ::sumAvg: 3.08 atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 4.475 atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } ::sumAvg: 4.8 atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } ::sumAvg: 4.8 atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } ::sumAvg: 4.595 atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } ::sumAvg: 3.665 atom: 738 69R-HG2 G 1.76 ambi=2 { CG:28.7 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } :: atom: 739 69R-HG3 G 2.02 ambi=2 { CG:28.7 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } ::sumAvg: 4.055 atom: 741 69R-HD3 D 3.33 ambi=2 { CD:43.7 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } :: atom: 740 69R-HD2 D 2.89 ambi=2 { CD:43.7 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } ::sumAvg: 4.74 atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } ::sumAvg: 4.265 atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } ::sumAvg: 4.035 atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } ::sumAvg: 4.035 atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } :: atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } atom: 691 66F-HA A 4.25 ambi=1 { CA:61 } ::sumAvg: 4.645 atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } ::sumAvg: 4.19 atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } ::sumAvg: 4.19 atom: 710 67V-HB B 2.39 ambi=1 { CB:31.2 } atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } :: atom: 710 67V-HB B 2.39 ambi=1 { CB:31.2 } atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } ::sumAvg: 4.7 atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } :: atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } ::sumAvg: 4.82 atom: 692 66F-HB2 B 2.91 ambi=2 { CB:39.1 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } :: atom: 693 66F-HB3 B 3.84 ambi=2 { CB:39.1 } atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } ::sumAvg: 4.915 atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } :: atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } ::sumAvg: 4.41 atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } ::sumAvg: 3.975 atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 694 66F-QD D 7.26 ambi=3 { CD1:131.9 } ::sumAvg: 3.85 atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } :: atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 4.77 atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 696 66F-QE E 6.93 ambi=3 { CE1:131.1 } ::sumAvg: 4.06 atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 698 66F-HZ Z 7.15 ambi=1 { CZ:129.3 } ::sumAvg: 4.74 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } ::sumAvg: 4.625 atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } ::sumAvg: 4.905 atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } :: atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } ::sumAvg: 4.4 atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } :: atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } atom: 708 67V-H N 8.98 ambi=1 { N:120.2 } ::sumAvg: 4.865 atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } :: atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } ::sumAvg: 2.8 atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } ::sumAvg: 3.53 atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } ::sumAvg: 4.455 atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } ::sumAvg: 3.635 atom: 709 67V-HA A 3 ambi=1 { CA:67.6 } atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } ::sumAvg: 4.065 atom: 710 67V-HB B 2.39 ambi=1 { CB:31.2 } atom: 719 68R-HA A 3.29 ambi=1 { CA:59.2 } ::sumAvg: 4.285 atom: 719 68R-HA A 3.29 ambi=1 { CA:59.2 } atom: 710 67V-HB B 2.39 ambi=1 { CB:31.2 } ::sumAvg: 4.285 atom: 710 67V-HB B 2.39 ambi=1 { CB:31.2 } atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } ::sumAvg: 4.35 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 710 67V-HB B 2.39 ambi=1 { CB:31.2 } ::sumAvg: 4.35 atom: 710 67V-HB B 2.39 ambi=1 { CB:31.2 } atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } ::sumAvg: 4.6 atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } atom: 710 67V-HB B 2.39 ambi=1 { CB:31.2 } ::sumAvg: 4.6 atom: 710 67V-HB B 2.39 ambi=1 { CB:31.2 } atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } :: atom: 710 67V-HB B 2.39 ambi=1 { CB:31.2 } atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } ::sumAvg: 3.27 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } :: atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } ::sumAvg: 4.265 atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } :: atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } ::sumAvg: 4.495 atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } :: atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } ::sumAvg: 4.495 atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } :: atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } ::sumAvg: 3.91 atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } :: atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } ::sumAvg: 4.66 atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } :: atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } ::sumAvg: 3.915 atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } atom: 1585 143P-HB2 B 1.17 ambi=2 { CB:31.4 } :: atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } atom: 1586 143P-HB3 B 1.26 ambi=2 { CB:31.4 } ::sumAvg: 4.82 atom: 1587 143P-QG G 1.61 ambi=2 { CG:29.5 } atom: 711 67V-HG1 G1 0.73 ambi=2 { CG1:20.4 } :: atom: 1587 143P-QG G 1.61 ambi=2 { CG:29.5 } atom: 712 67V-HG2 G2 0.96 ambi=2 { CG2:22.5 } ::sumAvg: 3.07 atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } :: atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } ::sumAvg: 4.805 atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } ::sumAvg: 2.99 atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } :: atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } ::sumAvg: 4.575 atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } atom: 718 68R-H N 8.02 ambi=1 { N:117.7 } ::sumAvg: 4.955 atom: 719 68R-HA A 3.29 ambi=1 { CA:59.2 } atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } ::sumAvg: 4.72 atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } atom: 719 68R-HA A 3.29 ambi=1 { CA:59.2 } ::sumAvg: 4.72 atom: 719 68R-HA A 3.29 ambi=1 { CA:59.2 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } ::sumAvg: 4.415 atom: 719 68R-HA A 3.29 ambi=1 { CA:59.2 } atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } ::sumAvg: 3.685 atom: 719 68R-HA A 3.29 ambi=1 { CA:59.2 } atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } ::sumAvg: 4.37 atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } atom: 719 68R-HA A 3.29 ambi=1 { CA:59.2 } :: atom: 774 72K-HB3 B 2.02 ambi=2 { CB:34.8 } atom: 719 68R-HA A 3.29 ambi=1 { CA:59.2 } ::sumAvg: 4.845 atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } atom: 719 68R-HA A 3.29 ambi=1 { CA:59.2 } ::sumAvg: 4.135 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } ::sumAvg: 4.14 atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } ::sumAvg: 4.14 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } :: atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } ::sumAvg: 2.305 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 726 68R-HE E 7.85 ambi=1 { NE:78.7 } ::sumAvg: 2.9 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } ::sumAvg: 4.83 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 4.625 atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } ::sumAvg: 4.625 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } :: atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } ::sumAvg: 4.02 atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } :: atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } ::sumAvg: 4.02 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 1402 125D-HA A 4.03 ambi=1 { CA:57.9 } ::sumAvg: 4.355 atom: 1402 125D-HA A 4.03 ambi=1 { CA:57.9 } atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } ::sumAvg: 4.355 atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } :: atom: 720 68R-QB B 1.88 ambi=2 { CB:31.6 } atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } ::sumAvg: 2.87 atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } ::sumAvg: 4.48 atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } ::sumAvg: 3.285 atom: 739 69R-HG3 G 2.02 ambi=2 { CG:28.7 } atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } ::sumAvg: 4.68 atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 4.565 atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } atom: 777 72K-QE E 2.46 ambi=2 { CE:42.1 } ::sumAvg: 4.9 atom: 777 72K-QE E 2.46 ambi=2 { CE:42.1 } atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } ::sumAvg: 4.9 atom: 722 68R-QG G 1.5 ambi=2 { CG:25.5 } atom: 1402 125D-HA A 4.03 ambi=1 { CA:57.9 } ::sumAvg: 4.2 atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } :: atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } ::sumAvg: 4.905 atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } :: atom: 735 69R-HA A 3.83 ambi=1 { CA:59 } atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } ::sumAvg: 4.905 atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } :: atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } ::sumAvg: 4.785 atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } :: atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } :: atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } :: atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } ::sumAvg: 4.865 atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } atom: 1403 125D-HB2 B 2.49 ambi=2 { CB:39.4 } :: atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } atom: 1404 125D-HB3 B 2.58 ambi=2 { CB:39.4 } :: atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 1403 125D-HB2 B 2.49 ambi=2 { CB:39.4 } :: atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 1404 125D-HB3 B 2.58 ambi=2 { CB:39.4 } ::sumAvg: 4.7 atom: 1403 125D-HB2 B 2.49 ambi=2 { CB:39.4 } atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } :: atom: 1404 125D-HB3 B 2.58 ambi=2 { CB:39.4 } atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } :: atom: 1403 125D-HB2 B 2.49 ambi=2 { CB:39.4 } atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } :: atom: 1404 125D-HB3 B 2.58 ambi=2 { CB:39.4 } atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } ::sumAvg: 4.7 atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } :: atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } :: atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } :: atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } ::sumAvg: 3.62 atom: 724 68R-HD2 D 2.98 ambi=2 { CD:43.9 } atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } :: atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } ::sumAvg: 4.955 atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } :: atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } ::sumAvg: 4.455 atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } :: atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } atom: 725 68R-HD3 D 3.4 ambi=2 { CD:43.9 } ::sumAvg: 4.455 atom: 736 69R-HB2 B 1.75 ambi=2 { CB:30.8 } atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } :: atom: 737 69R-HB3 B 2.01 ambi=2 { CB:30.8 } atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } ::sumAvg: 2.345 atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } :: atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } ::sumAvg: 4.755 atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 734 69R-H N 8.02 ambi=1 { N:113.8 } ::sumAvg: 4.515 atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } ::sumAvg: 4.69 atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } ::sumAvg: 4.69 atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } ::sumAvg: 3.535 atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } ::sumAvg: 4.12 atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } :: atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } ::sumAvg: 3.435 atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 751 70L-HA A 3.87 ambi=1 { CA:58 } ::sumAvg: 3.435 atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } :: atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } ::sumAvg: 4.21 atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } :: atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } ::sumAvg: 4.21 atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 3.8 atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } ::sumAvg: 3.8 atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } :: atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } ::sumAvg: 4.785 atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } :: atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } :: atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } :: atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } ::sumAvg: 4.86 atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } :: atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } ::sumAvg: 4.86 atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } atom: 790 73S-HG G 6.24 ambi=1 {attached_atom is not_assigned} :: atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } atom: 790 73S-HG G 6.24 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.665 atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } :: atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 4.63 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 752 70L-HB2 B 1.07 ambi=2 { CB:42.3 } :: atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 753 70L-HB3 B 1.68 ambi=2 { CB:42.3 } ::sumAvg: 4.63 atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } atom: 750 70L-H N 9.07 ambi=1 { N:121.5 } ::sumAvg: 4.35 atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } ::sumAvg: 4.62 atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } ::sumAvg: 4.62 atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } :: atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } ::sumAvg: 4.89 atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } ::sumAvg: 4.89 atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } atom: 790 73S-HG G 6.24 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.56 atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } ::sumAvg: 4.915 atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } atom: 824 76Y-QD D 7.16 ambi=3 {attached_atom is not_assigned} ::sumAvg: 2.85 atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } :: atom: 765 71A-HA A 3.26 ambi=1 { CA:53.3 } atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } ::sumAvg: 4.07 atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } ::sumAvg: 4.04 atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 4.04 atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } :: atom: 774 72K-HB3 B 2.02 ambi=2 { CB:34.8 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 4.205 atom: 776 72K-HG3 G 1.76 ambi=2 { CG:27.3 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 4.52 atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } atom: 786 73S-H N 7.69 ambi=1 { N:117.8 } ::sumAvg: 4.32 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 3.74 atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } atom: 824 76Y-QD D 7.16 ambi=3 {attached_atom is not_assigned} ::sumAvg: 3.31 atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } ::sumAvg: 4.895 atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 4.895 atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } ::sumAvg: 4.935 atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 4.935 atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 4.46 atom: 1392 124V-HB B 1.73 ambi=1 { CB:31.7 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 3.79 atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } ::sumAvg: 3.565 atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } atom: 766 71A-HB B 0.71 ambi=1 { CB:17.5 } ::sumAvg: 3.565 atom: 754 70L-HG G 1.31 ambi=1 { CG:25.9 } atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } ::sumAvg: 4.445 atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } :: atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } ::sumAvg: 4.345 atom: 755 70L-HD1 D1 0.12 ambi=2 { CD1:24.8 } atom: 790 73S-HG G 6.24 ambi=1 {attached_atom is not_assigned} :: atom: 756 70L-HD2 D2 0.78 ambi=2 { CD2:22.2 } atom: 790 73S-HG G 6.24 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.985 atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } :: atom: 774 72K-HB3 B 2.02 ambi=2 { CB:34.8 } atom: 764 71A-H N 8.12 ambi=1 { N:121.3 } ::sumAvg: 4.825 atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } atom: 847 78K-HA A 4.04 ambi=1 { CA:59 } :: atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } atom: 847 78K-HA A 4.04 ambi=1 { CA:59 } ::sumAvg: 3.83 atom: 847 78K-HA A 4.04 ambi=1 { CA:59 } atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } ::sumAvg: 4.44 atom: 847 78K-HA A 4.04 ambi=1 { CA:59 } atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } ::sumAvg: 4.77 atom: 847 78K-HA A 4.04 ambi=1 { CA:59 } atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } ::sumAvg: 4.73 atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } atom: 847 78K-HA A 4.04 ambi=1 { CA:59 } ::sumAvg: 4.73 atom: 854 78K-QE E 2.93 ambi=2 { CE:42.1 } atom: 848 78K-HB2 B 1.83 ambi=2 { CB:32.6 } :: atom: 854 78K-QE E 2.93 ambi=2 { CE:42.1 } atom: 849 78K-HB3 B 1.92 ambi=2 { CB:32.6 } ::sumAvg: 2.94 atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } atom: 848 78K-HB2 B 1.83 ambi=2 { CB:32.6 } :: atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } atom: 849 78K-HB3 B 1.92 ambi=2 { CB:32.6 } ::sumAvg: 4.26 atom: 848 78K-HB2 B 1.83 ambi=2 { CB:32.6 } atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } :: atom: 849 78K-HB3 B 1.92 ambi=2 { CB:32.6 } atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } ::sumAvg: 4.75 atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } atom: 848 78K-HB2 B 1.83 ambi=2 { CB:32.6 } :: atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } atom: 849 78K-HB3 B 1.92 ambi=2 { CB:32.6 } ::sumAvg: 4.75 atom: 775 72K-HG2 G 0.84 ambi=2 { CG:27.3 } atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } :: atom: 776 72K-HG3 G 1.76 ambi=2 { CG:27.3 } atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } ::sumAvg: 3.35 atom: 787 73S-HA A 4.54 ambi=1 { CA:58.6 } atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } ::sumAvg: 4.755 atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } ::sumAvg: 4.415 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 771 72K-H N 6.62 ambi=1 { N:109.5 } ::sumAvg: 4.555 atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } atom: 777 72K-QE E 2.46 ambi=2 { CE:42.1 } ::sumAvg: 4.605 atom: 777 72K-QE E 2.46 ambi=2 { CE:42.1 } atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } ::sumAvg: 4.605 atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } atom: 787 73S-HA A 4.54 ambi=1 { CA:58.6 } ::sumAvg: 4.715 atom: 787 73S-HA A 4.54 ambi=1 { CA:58.6 } atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } ::sumAvg: 4.715 atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 4.445 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } ::sumAvg: 4.445 atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } atom: 824 76Y-QD D 7.16 ambi=3 {attached_atom is not_assigned} ::sumAvg: 4.675 atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } ::sumAvg: 4.385 atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } atom: 1364 121P-HD2 D 3.63 ambi=2 { CD:49.9 } ::sumAvg: 4.865 atom: 1392 124V-HB B 1.73 ambi=1 { CB:31.7 } atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } ::sumAvg: 4.3 atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } :: atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } atom: 772 72K-HA A 4.12 ambi=1 { CA:56.1 } ::sumAvg: 3.915 atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } atom: 786 73S-H N 7.69 ambi=1 { N:117.8 } :: atom: 774 72K-HB3 B 2.02 ambi=2 { CB:34.8 } atom: 786 73S-H N 7.69 ambi=1 { N:117.8 } ::sumAvg: 3.785 atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } atom: 787 73S-HA A 4.54 ambi=1 { CA:58.6 } :: atom: 774 72K-HB3 B 2.02 ambi=2 { CB:34.8 } atom: 787 73S-HA A 4.54 ambi=1 { CA:58.6 } ::sumAvg: 4.58 atom: 787 73S-HA A 4.54 ambi=1 { CA:58.6 } atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } :: atom: 787 73S-HA A 4.54 ambi=1 { CA:58.6 } atom: 774 72K-HB3 B 2.02 ambi=2 { CB:34.8 } ::sumAvg: 4.58 atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } :: atom: 774 72K-HB3 B 2.02 ambi=2 { CB:34.8 } atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } ::sumAvg: 3.525 atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } :: atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } atom: 774 72K-HB3 B 2.02 ambi=2 { CB:34.8 } ::sumAvg: 3.525 atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } atom: 1360 121P-HB2 B 1.92 ambi=2 { CB:30.7 } :: atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } atom: 1361 121P-HB3 B 2.19 ambi=2 { CB:30.7 } ::sumAvg: 3.66 atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } ::sumAvg: 4.8 atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } atom: 773 72K-HB2 B 1.51 ambi=2 { CB:34.8 } ::sumAvg: 4.8 atom: 775 72K-HG2 G 0.84 ambi=2 { CG:27.3 } atom: 777 72K-QE E 2.46 ambi=2 { CE:42.1 } :: atom: 776 72K-HG3 G 1.76 ambi=2 { CG:27.3 } atom: 777 72K-QE E 2.46 ambi=2 { CE:42.1 } ::sumAvg: 2.575 atom: 775 72K-HG2 G 0.84 ambi=2 { CG:27.3 } atom: 786 73S-H N 7.69 ambi=1 { N:117.8 } :: atom: 776 72K-HG3 G 1.76 ambi=2 { CG:27.3 } atom: 786 73S-H N 7.69 ambi=1 { N:117.8 } ::sumAvg: 4.44 atom: 777 72K-QE E 2.46 ambi=2 { CE:42.1 } atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } ::sumAvg: 4.82 atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } atom: 777 72K-QE E 2.46 ambi=2 { CE:42.1 } ::sumAvg: 4.82 atom: 777 72K-QE E 2.46 ambi=2 { CE:42.1 } atom: 1360 121P-HB2 B 1.92 ambi=2 { CB:30.7 } ::sumAvg: 3.61 atom: 1360 121P-HB2 B 1.92 ambi=2 { CB:30.7 } atom: 777 72K-QE E 2.46 ambi=2 { CE:42.1 } ::sumAvg: 3.61 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 786 73S-H N 7.69 ambi=1 { N:117.8 } ::sumAvg: 3.395 atom: 787 73S-HA A 4.54 ambi=1 { CA:58.6 } atom: 797 74P-HG2 G 2.1 ambi=2 { CG:28 } :: atom: 787 73S-HA A 4.54 ambi=1 { CA:58.6 } atom: 798 74P-HG3 G 2.26 ambi=2 { CG:28 } ::sumAvg: 4.275 atom: 787 73S-HA A 4.54 ambi=1 { CA:58.6 } atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } ::sumAvg: 4.995 atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 795 74P-HB2 B 2.07 ambi=2 { CB:32 } :: atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 796 74P-HB3 B 2.43 ambi=2 { CB:32 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 795 74P-HB2 B 2.07 ambi=2 { CB:32 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 796 74P-HB3 B 2.43 ambi=2 { CB:32 } ::sumAvg: 4.985 atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 797 74P-HG2 G 2.1 ambi=2 { CG:28 } :: atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 798 74P-HG3 G 2.26 ambi=2 { CG:28 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 797 74P-HG2 G 2.1 ambi=2 { CG:28 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 798 74P-HG3 G 2.26 ambi=2 { CG:28 } ::sumAvg: 4.21 atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } ::sumAvg: 3.35 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } :: atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } ::sumAvg: 3.35 atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.29 atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } ::sumAvg: 3.515 atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } :: atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 3.86 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 788 73S-HB2 B 4.34 ambi=2 { CB:63.2 } :: atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 789 73S-HB3 B 4.38 ambi=2 { CB:63.2 } ::sumAvg: 3.86 atom: 799 74P-QD D 4.02 ambi=2 { CD:50.7 } atom: 790 73S-HG G 6.24 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.305 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 790 73S-HG G 6.24 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.535 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 790 73S-HG G 6.24 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.9 atom: 848 78K-HB2 B 1.83 ambi=2 { CB:32.6 } atom: 794 74P-HA A 4.34 ambi=1 { CA:65.7 } :: atom: 849 78K-HB3 B 1.92 ambi=2 { CB:32.6 } atom: 794 74P-HA A 4.34 ambi=1 { CA:65.7 } ::sumAvg: 4.705 atom: 794 74P-HA A 4.34 ambi=1 { CA:65.7 } atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } ::sumAvg: 4.475 atom: 832 77R-HB2 B 1.9 ambi=2 { CB:30.9 } atom: 794 74P-HA A 4.34 ambi=1 { CA:65.7 } :: atom: 833 77R-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 794 74P-HA A 4.34 ambi=1 { CA:65.7 } ::sumAvg: 3.4 atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } atom: 794 74P-HA A 4.34 ambi=1 { CA:65.7 } ::sumAvg: 3.475 atom: 794 74P-HA A 4.34 ambi=1 { CA:65.7 } atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } ::sumAvg: 4.19 atom: 796 74P-HB3 B 2.43 ambi=2 { CB:32 } atom: 848 78K-HB2 B 1.83 ambi=2 { CB:32.6 } :: atom: 796 74P-HB3 B 2.43 ambi=2 { CB:32 } atom: 849 78K-HB3 B 1.92 ambi=2 { CB:32.6 } ::sumAvg: 4.86 atom: 848 78K-HB2 B 1.83 ambi=2 { CB:32.6 } atom: 796 74P-HB3 B 2.43 ambi=2 { CB:32 } :: atom: 849 78K-HB3 B 1.92 ambi=2 { CB:32.6 } atom: 796 74P-HB3 B 2.43 ambi=2 { CB:32 } ::sumAvg: 4.86 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 795 74P-HB2 B 2.07 ambi=2 { CB:32 } :: atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 796 74P-HB3 B 2.43 ambi=2 { CB:32 } ::sumAvg: 4.36 atom: 795 74P-HB2 B 2.07 ambi=2 { CB:32 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 795 74P-HB2 B 2.07 ambi=2 { CB:32 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } :: atom: 796 74P-HB3 B 2.43 ambi=2 { CB:32 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 796 74P-HB3 B 2.43 ambi=2 { CB:32 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.125 atom: 797 74P-HG2 G 2.1 ambi=2 { CG:28 } atom: 806 75L-H N 7.64 ambi=1 { N:116.8 } :: atom: 798 74P-HG3 G 2.26 ambi=2 { CG:28 } atom: 806 75L-H N 7.64 ambi=1 { N:116.8 } ::sumAvg: 3.4 atom: 797 74P-HG2 G 2.1 ambi=2 { CG:28 } atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } :: atom: 798 74P-HG3 G 2.26 ambi=2 { CG:28 } atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } ::sumAvg: 4.745 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 797 74P-HG2 G 2.1 ambi=2 { CG:28 } :: atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 798 74P-HG3 G 2.26 ambi=2 { CG:28 } ::sumAvg: 4.745 atom: 797 74P-HG2 G 2.1 ambi=2 { CG:28 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 797 74P-HG2 G 2.1 ambi=2 { CG:28 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } :: atom: 798 74P-HG3 G 2.26 ambi=2 { CG:28 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 798 74P-HG3 G 2.26 ambi=2 { CG:28 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.91 atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 797 74P-HG2 G 2.1 ambi=2 { CG:28 } :: atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 797 74P-HG2 G 2.1 ambi=2 { CG:28 } :: atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 798 74P-HG3 G 2.26 ambi=2 { CG:28 } :: atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 798 74P-HG3 G 2.26 ambi=2 { CG:28 } ::sumAvg: 4.91 atom: 799 74P-QD D 4.02 ambi=2 { CD:50.7 } atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } ::sumAvg: 4.275 atom: 799 74P-QD D 4.02 ambi=2 { CD:50.7 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 799 74P-QD D 4.02 ambi=2 { CD:50.7 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.71 atom: 799 74P-QD D 4.02 ambi=2 { CD:50.7 } atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } ::sumAvg: 4.825 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 806 75L-H N 7.64 ambi=1 { N:116.8 } ::sumAvg: 4.51 atom: 807 75L-HA A 4.03 ambi=1 { CA:58.1 } atom: 848 78K-HB2 B 1.83 ambi=2 { CB:32.6 } :: atom: 807 75L-HA A 4.03 ambi=1 { CA:58.1 } atom: 849 78K-HB3 B 1.92 ambi=2 { CB:32.6 } ::sumAvg: 3.03 atom: 807 75L-HA A 4.03 ambi=1 { CA:58.1 } atom: 810 75L-HG G 1.26 ambi=1 { CG:27 } ::sumAvg: 3.37 atom: 807 75L-HA A 4.03 ambi=1 { CA:58.1 } atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } ::sumAvg: 4.43 atom: 866 79Q-HG2 G 1.63 ambi=2 { CG:34 } atom: 807 75L-HA A 4.03 ambi=1 { CA:58.1 } :: atom: 867 79Q-HG3 G 2.05 ambi=2 { CG:34 } atom: 807 75L-HA A 4.03 ambi=1 { CA:58.1 } ::sumAvg: 3.9 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 849 78K-HB3 B 1.92 ambi=2 { CB:32.6 } ::sumAvg: 4.965 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } ::sumAvg: 3.925 atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } ::sumAvg: 3.925 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 3.87 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } ::sumAvg: 3.87 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 830 77R-H N 8.7 ambi=1 { N:119 } ::sumAvg: 4.62 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 867 79Q-HG3 G 2.05 ambi=2 { CG:34 } ::sumAvg: 4.715 atom: 867 79Q-HG3 G 2.05 ambi=2 { CG:34 } atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } ::sumAvg: 4.715 atom: 808 75L-QB B 1.45 ambi=2 { CB:41.8 } atom: 868 79Q-HE21 E2 6.84 ambi=1 { NE2:109.7 } ::sumAvg: 4.785 atom: 810 75L-HG G 1.26 ambi=1 { CG:27 } atom: 820 76Y-H N 7.9 ambi=1 { N:119.5 } ::sumAvg: 4.42 atom: 867 79Q-HG3 G 2.05 ambi=2 { CG:34 } atom: 810 75L-HG G 1.26 ambi=1 { CG:27 } ::sumAvg: 4.325 atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 848 78K-HB2 B 1.83 ambi=2 { CB:32.6 } :: atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 849 78K-HB3 B 1.92 ambi=2 { CB:32.6 } :: atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 848 78K-HB2 B 1.83 ambi=2 { CB:32.6 } :: atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 849 78K-HB3 B 1.92 ambi=2 { CB:32.6 } ::sumAvg: 3.325 atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } :: atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } ::sumAvg: 4.61 atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.61 atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 846 78K-H N 8.67 ambi=1 { N:118.7 } :: atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 846 78K-H N 8.67 ambi=1 { N:118.7 } ::sumAvg: 4.66 atom: 854 78K-QE E 2.93 ambi=2 { CE:42.1 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 854 78K-QE E 2.93 ambi=2 { CE:42.1 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.585 atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 852 78K-QD D 1.62 ambi=2 { CD:29 } :: atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 852 78K-QD D 1.62 ambi=2 { CD:29 } ::sumAvg: 4.635 atom: 852 78K-QD D 1.62 ambi=2 { CD:29 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 852 78K-QD D 1.62 ambi=2 { CD:29 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.635 atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } :: atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } :: atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } ::sumAvg: 4.265 atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 868 79Q-HE21 E2 6.84 ambi=1 { NE2:109.7 } :: atom: 811 75L-HD1 D1 0.61 ambi=2 { CD1:23.4 } atom: 869 79Q-HE22 E2 6.56 ambi=1 { NE2:109.7 } :: atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 868 79Q-HE21 E2 6.84 ambi=1 { NE2:109.7 } :: atom: 812 75L-HD2 D2 0.08 ambi=2 { CD2:24.9 } atom: 869 79Q-HE22 E2 6.56 ambi=1 { NE2:109.7 } ::sumAvg: 3.645 atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } atom: 830 77R-H N 8.7 ambi=1 { N:119 } ::sumAvg: 3.48 atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } atom: 846 78K-H N 8.67 ambi=1 { N:118.7 } ::sumAvg: 4.17 atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } :: atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } ::sumAvg: 4.875 atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } :: atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } ::sumAvg: 4.875 atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } :: atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } ::sumAvg: 3.005 atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } atom: 866 79Q-HG2 G 1.63 ambi=2 { CG:34 } :: atom: 821 76Y-HA A 3.95 ambi=1 { CA:63.4 } atom: 867 79Q-HG3 G 2.05 ambi=2 { CG:34 } ::sumAvg: 4.085 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 830 77R-H N 8.7 ambi=1 { N:119 } ::sumAvg: 2.7 atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 4.075 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 832 77R-HB2 B 1.9 ambi=2 { CB:30.9 } :: atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 833 77R-HB3 B 2.02 ambi=2 { CB:30.9 } ::sumAvg: 4.475 atom: 832 77R-HB2 B 1.9 ambi=2 { CB:30.9 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } :: atom: 833 77R-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 4.475 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } ::sumAvg: 4.235 atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 4.235 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 846 78K-H N 8.67 ambi=1 { N:118.7 } ::sumAvg: 4.75 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } :: atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } ::sumAvg: 4.96 atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } :: atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 4.96 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } :: atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } ::sumAvg: 4.02 atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } :: atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 4.02 atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } :: atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } ::sumAvg: 4.99 atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } :: atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } atom: 822 76Y-QB B 3.14 ambi=2 { CB:38.9 } ::sumAvg: 4.99 atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } atom: 824 76Y-QD D 7.16 ambi=3 {attached_atom is not_assigned} ::sumAvg: 3.78 atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 824 76Y-QD D 7.16 ambi=3 {attached_atom is not_assigned} :: atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 824 76Y-QD D 7.16 ambi=3 {attached_atom is not_assigned} ::sumAvg: 4.645 atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } atom: 824 76Y-QD D 7.16 ambi=3 {attached_atom is not_assigned} :: atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } atom: 824 76Y-QD D 7.16 ambi=3 {attached_atom is not_assigned} ::sumAvg: 4.63 atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } atom: 824 76Y-QD D 7.16 ambi=3 {attached_atom is not_assigned} ::sumAvg: 4.29 atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } atom: 836 77R-HD2 D 3.29 ambi=2 { CD:43.5 } :: atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } atom: 837 77R-HD3 D 3.38 ambi=2 { CD:43.5 } ::sumAvg: 3.515 atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } ::sumAvg: 4.49 atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } ::sumAvg: 4.48 atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } ::sumAvg: 4.755 atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 3.96 atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } :: atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } ::sumAvg: 3.96 atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } ::sumAvg: 4.645 atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } atom: 831 77R-HA A 3.97 ambi=1 { CA:59.7 } ::sumAvg: 4.645 atom: 832 77R-HB2 B 1.9 ambi=2 { CB:30.9 } atom: 847 78K-HA A 4.04 ambi=1 { CA:59 } :: atom: 833 77R-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 847 78K-HA A 4.04 ambi=1 { CA:59 } ::sumAvg: 4.355 atom: 832 77R-HB2 B 1.9 ambi=2 { CB:30.9 } atom: 850 78K-QG G 1.48 ambi=2 { CG:25 } :: atom: 833 77R-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 850 78K-QG G 1.48 ambi=2 { CG:25 } ::sumAvg: 4.635 atom: 832 77R-HB2 B 1.9 ambi=2 { CB:30.9 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 832 77R-HB2 B 1.9 ambi=2 { CB:30.9 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } :: atom: 833 77R-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 833 77R-HB3 B 2.02 ambi=2 { CB:30.9 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 4.48 atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } atom: 832 77R-HB2 B 1.9 ambi=2 { CB:30.9 } :: atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } atom: 832 77R-HB2 B 1.9 ambi=2 { CB:30.9 } :: atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } atom: 833 77R-HB3 B 2.02 ambi=2 { CB:30.9 } :: atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } atom: 833 77R-HB3 B 2.02 ambi=2 { CB:30.9 } ::sumAvg: 4.48 atom: 847 78K-HA A 4.04 ambi=1 { CA:59 } atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } ::sumAvg: 4.635 atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } ::sumAvg: 2.66 atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } :: atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } ::sumAvg: 4.245 atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } :: atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } ::sumAvg: 4.245 atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 3.715 atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } ::sumAvg: 3.715 atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } ::sumAvg: 4.535 atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } ::sumAvg: 4.18 atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } ::sumAvg: 4.18 atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } atom: 1364 121P-HD2 D 3.63 ambi=2 { CD:49.9 } :: atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } atom: 1365 121P-HD3 D 3.91 ambi=2 { CD:49.9 } ::sumAvg: 3.52 atom: 1364 121P-HD2 D 3.63 ambi=2 { CD:49.9 } atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } :: atom: 1365 121P-HD3 D 3.91 ambi=2 { CD:49.9 } atom: 834 77R-QG G 1.72 ambi=2 { CG:28.5 } ::sumAvg: 3.52 atom: 836 77R-HD2 D 3.29 ambi=2 { CD:43.5 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 836 77R-HD2 D 3.29 ambi=2 { CD:43.5 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } :: atom: 837 77R-HD3 D 3.38 ambi=2 { CD:43.5 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 837 77R-HD3 D 3.38 ambi=2 { CD:43.5 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 4.305 atom: 836 77R-HD2 D 3.29 ambi=2 { CD:43.5 } atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } :: atom: 837 77R-HD3 D 3.38 ambi=2 { CD:43.5 } atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } ::sumAvg: 4.165 atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } atom: 836 77R-HD2 D 3.29 ambi=2 { CD:43.5 } :: atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } atom: 837 77R-HD3 D 3.38 ambi=2 { CD:43.5 } ::sumAvg: 4.165 atom: 836 77R-HD2 D 3.29 ambi=2 { CD:43.5 } atom: 1365 121P-HD3 D 3.91 ambi=2 { CD:49.9 } :: atom: 837 77R-HD3 D 3.38 ambi=2 { CD:43.5 } atom: 1365 121P-HD3 D 3.91 ambi=2 { CD:49.9 } ::sumAvg: 4.04 atom: 1365 121P-HD3 D 3.91 ambi=2 { CD:49.9 } atom: 836 77R-HD2 D 3.29 ambi=2 { CD:43.5 } :: atom: 1365 121P-HD3 D 3.91 ambi=2 { CD:49.9 } atom: 837 77R-HD3 D 3.38 ambi=2 { CD:43.5 } ::sumAvg: 4.04 atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } :: atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } ::sumAvg: 4.75 atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } ::sumAvg: 4.385 atom: 1364 121P-HD2 D 3.63 ambi=2 { CD:49.9 } atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } :: atom: 1365 121P-HD3 D 3.91 ambi=2 { CD:49.9 } atom: 838 77R-HE E 7.89 ambi=1 { NE:84.4 } ::sumAvg: 4.12 atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } atom: 846 78K-H N 8.67 ambi=1 { N:118.7 } :: atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } atom: 846 78K-H N 8.67 ambi=1 { N:118.7 } ::sumAvg: 4.805 atom: 866 79Q-HG2 G 1.63 ambi=2 { CG:34 } atom: 846 78K-H N 8.67 ambi=1 { N:118.7 } :: atom: 867 79Q-HG3 G 2.05 ambi=2 { CG:34 } atom: 846 78K-H N 8.67 ambi=1 { N:118.7 } ::sumAvg: 4.375 atom: 850 78K-QG G 1.48 ambi=2 { CG:25 } atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } ::sumAvg: 4.63 atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } atom: 850 78K-QG G 1.48 ambi=2 { CG:25 } ::sumAvg: 4.63 atom: 850 78K-QG G 1.48 ambi=2 { CG:25 } atom: 867 79Q-HG3 G 2.05 ambi=2 { CG:34 } ::sumAvg: 4.49 atom: 867 79Q-HG3 G 2.05 ambi=2 { CG:34 } atom: 850 78K-QG G 1.48 ambi=2 { CG:25 } ::sumAvg: 4.49 atom: 850 78K-QG G 1.48 ambi=2 { CG:25 } atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 4.78 atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } atom: 850 78K-QG G 1.48 ambi=2 { CG:25 } ::sumAvg: 4.78 atom: 850 78K-QG G 1.48 ambi=2 { CG:25 } atom: 915 82E-QG G 2.42 ambi=2 { CG:37.1 } ::sumAvg: 4.445 atom: 915 82E-QG G 2.42 ambi=2 { CG:37.1 } atom: 850 78K-QG G 1.48 ambi=2 { CG:25 } ::sumAvg: 4.445 atom: 852 78K-QD D 1.62 ambi=2 { CD:29 } atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } ::sumAvg: 4.51 atom: 852 78K-QD D 1.62 ambi=2 { CD:29 } atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } ::sumAvg: 4.665 atom: 852 78K-QD D 1.62 ambi=2 { CD:29 } atom: 867 79Q-HG3 G 2.05 ambi=2 { CG:34 } ::sumAvg: 4.42 atom: 878 80F-HA A 5.14 ambi=1 { CA:57.8 } atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } ::sumAvg: 3.05 atom: 878 80F-HA A 5.14 ambi=1 { CA:57.8 } atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } ::sumAvg: 4.825 atom: 878 80F-HA A 5.14 ambi=1 { CA:57.8 } atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } :: atom: 878 80F-HA A 5.14 ambi=1 { CA:57.8 } atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } ::sumAvg: 4.565 atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } atom: 878 80F-HA A 5.14 ambi=1 { CA:57.8 } :: atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } atom: 878 80F-HA A 5.14 ambi=1 { CA:57.8 } ::sumAvg: 4.565 atom: 878 80F-HA A 5.14 ambi=1 { CA:57.8 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.865 atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 883 80F-QE E 7.44 ambi=3 { CE1:131.3 } :: atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 883 80F-QE E 7.44 ambi=3 { CE1:131.3 } ::sumAvg: 4.37 atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } :: atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } ::sumAvg: 4.435 atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } :: atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } ::sumAvg: 4.68 atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } :: atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } ::sumAvg: 4.68 atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } :: atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } ::sumAvg: 3.21 atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } :: atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.84 atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } :: atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } ::sumAvg: 4.84 atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.385 atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 1028 92L-HB2 B 0.85 ambi=2 { CB:42.7 } :: atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 1029 92L-HB3 B 2.01 ambi=2 { CB:42.7 } :: atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 1028 92L-HB2 B 0.85 ambi=2 { CB:42.7 } :: atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 1029 92L-HB3 B 2.01 ambi=2 { CB:42.7 } ::sumAvg: 4.675 atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } :: atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } ::sumAvg: 3.43 atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } :: atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } :: atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } :: atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } ::sumAvg: 4.39 atom: 879 80F-HB2 B 1.45 ambi=2 { CB:39.8 } atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } :: atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } ::sumAvg: 4.94 atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } :: atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } atom: 862 79Q-H N 7.41 ambi=1 { N:113.9 } ::sumAvg: 4.895 atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } atom: 878 80F-HA A 5.14 ambi=1 { CA:57.8 } ::sumAvg: 4.53 atom: 878 80F-HA A 5.14 ambi=1 { CA:57.8 } atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } ::sumAvg: 4.53 atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } atom: 868 79Q-HE21 E2 6.84 ambi=1 { NE2:109.7 } :: atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } atom: 869 79Q-HE22 E2 6.56 ambi=1 { NE2:109.7 } ::sumAvg: 3.45 atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } ::sumAvg: 4.525 atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } ::sumAvg: 4.505 atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } atom: 863 79Q-HA A 3.97 ambi=1 { CA:57.6 } ::sumAvg: 4.505 atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } atom: 878 80F-HA A 5.14 ambi=1 { CA:57.8 } :: atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } atom: 878 80F-HA A 5.14 ambi=1 { CA:57.8 } ::sumAvg: 4.605 atom: 878 80F-HA A 5.14 ambi=1 { CA:57.8 } atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } :: atom: 878 80F-HA A 5.14 ambi=1 { CA:57.8 } atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } ::sumAvg: 4.605 atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } :: atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } ::sumAvg: 4.33 atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } :: atom: 880 80F-HB3 B 3.25 ambi=2 { CB:39.8 } atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } ::sumAvg: 4.33 atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } atom: 868 79Q-HE21 E2 6.84 ambi=1 { NE2:109.7 } :: atom: 864 79Q-HB2 B 1.07 ambi=2 { CB:30.5 } atom: 869 79Q-HE22 E2 6.56 ambi=1 { NE2:109.7 } :: atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } atom: 868 79Q-HE21 E2 6.84 ambi=1 { NE2:109.7 } :: atom: 865 79Q-HB3 B 1.57 ambi=2 { CB:30.5 } atom: 869 79Q-HE22 E2 6.56 ambi=1 { NE2:109.7 } ::sumAvg: 3.15 atom: 924 83P-HG2 G 1.3 ambi=2 { CG:27.8 } atom: 877 80F-H N 8.48 ambi=1 { N:110.8 } :: atom: 925 83P-HG3 G 1.61 ambi=2 { CG:27.8 } atom: 877 80F-H N 8.48 ambi=1 { N:110.8 } ::sumAvg: 4.875 atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } atom: 877 80F-H N 8.48 ambi=1 { N:110.8 } :: atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } atom: 877 80F-H N 8.48 ambi=1 { N:110.8 } ::sumAvg: 4.08 atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } ::sumAvg: 4.475 atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } :: atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } ::sumAvg: 4.505 atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } ::sumAvg: 4.52 atom: 1028 92L-HB2 B 0.85 ambi=2 { CB:42.7 } atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } :: atom: 1029 92L-HB3 B 2.01 ambi=2 { CB:42.7 } atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } ::sumAvg: 3.74 atom: 1030 92L-HG G 1.48 ambi=1 { CG:27.4 } atom: 881 80F-QD D 6.96 ambi=3 { CD1:131.6 } ::sumAvg: 4.945 atom: 1028 92L-HB2 B 0.85 ambi=2 { CB:42.7 } atom: 883 80F-QE E 7.44 ambi=3 { CE1:131.3 } :: atom: 1029 92L-HB3 B 2.01 ambi=2 { CB:42.7 } atom: 883 80F-QE E 7.44 ambi=3 { CE1:131.3 } ::sumAvg: 4.265 atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } atom: 883 80F-QE E 7.44 ambi=3 { CE1:131.3 } ::sumAvg: 4.995 atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } ::sumAvg: 4.555 atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } atom: 912 82E-HA A 4.07 ambi=1 { CA:60.4 } ::sumAvg: 4.935 atom: 912 82E-HA A 4.07 ambi=1 { CA:60.4 } atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } ::sumAvg: 4.935 atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 4.92 atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } ::sumAvg: 4.92 atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } :: atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } ::sumAvg: 4.965 atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } :: atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } ::sumAvg: 4.965 atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } :: atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } ::sumAvg: 4.98 atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } :: atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } ::sumAvg: 4.98 atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.885 atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } ::sumAvg: 4.885 atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } :: atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } ::sumAvg: 4.155 atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } :: atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } atom: 896 81F-HA A 5.11 ambi=1 { CA:60.9 } ::sumAvg: 4.155 atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } :: atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } ::sumAvg: 4.375 atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } atom: 912 82E-HA A 4.07 ambi=1 { CA:60.4 } :: atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } atom: 912 82E-HA A 4.07 ambi=1 { CA:60.4 } ::sumAvg: 4.255 atom: 912 82E-HA A 4.07 ambi=1 { CA:60.4 } atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } :: atom: 912 82E-HA A 4.07 ambi=1 { CA:60.4 } atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } ::sumAvg: 4.255 atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } :: atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 4.26 atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } atom: 915 82E-QG G 2.42 ambi=2 { CG:37.1 } :: atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } atom: 915 82E-QG G 2.42 ambi=2 { CG:37.1 } ::sumAvg: 4.615 atom: 915 82E-QG G 2.42 ambi=2 { CG:37.1 } atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } :: atom: 915 82E-QG G 2.42 ambi=2 { CG:37.1 } atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } ::sumAvg: 4.615 atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } :: atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } ::sumAvg: 4.76 atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } :: atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } ::sumAvg: 4.76 atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } :: atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 3.82 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } :: atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } ::sumAvg: 3.82 atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } :: atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 3.585 atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } :: atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } ::sumAvg: 4.85 atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } atom: 897 81F-HB2 B 2.97 ambi=2 { CB:44.7 } :: atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } atom: 898 81F-HB3 B 3.61 ambi=2 { CB:44.7 } ::sumAvg: 4.85 atom: 912 82E-HA A 4.07 ambi=1 { CA:60.4 } atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } ::sumAvg: 4.76 atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } ::sumAvg: 4.09 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 895 81F-H N 7.69 ambi=1 { N:120.5 } ::sumAvg: 4.65 atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } ::sumAvg: 3.5 atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } ::sumAvg: 4.575 atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } ::sumAvg: 4.005 atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } ::sumAvg: 4.765 atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.865 atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } ::sumAvg: 3.445 atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } ::sumAvg: 3.4 atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } :: atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } ::sumAvg: 4.755 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } ::sumAvg: 4.755 atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } ::sumAvg: 4.1 atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } ::sumAvg: 4.1 atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } :: atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } ::sumAvg: 4.595 atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } atom: 983 88R-HG2 G 1.37 ambi=2 { CG:26.9 } :: atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } atom: 984 88R-HG3 G 1.57 ambi=2 { CG:26.9 } ::sumAvg: 4.835 atom: 983 88R-HG2 G 1.37 ambi=2 { CG:26.9 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } :: atom: 984 88R-HG3 G 1.57 ambi=2 { CG:26.9 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } ::sumAvg: 4.835 atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } ::sumAvg: 4.825 atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } :: atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } ::sumAvg: 4.91 atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } ::sumAvg: 4.68 atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } ::sumAvg: 3.63 atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } :: atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } ::sumAvg: 4.76 atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } atom: 899 81F-QD D 7.3 ambi=3 { CD1:132.2 } ::sumAvg: 4.87 atom: 912 82E-HA A 4.07 ambi=1 { CA:60.4 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } ::sumAvg: 4.965 atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } ::sumAvg: 3.78 atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } :: atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } ::sumAvg: 4.615 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } ::sumAvg: 3.195 atom: 1342 119G-HA2 A 4.1 ambi=2 { CA:45 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } :: atom: 1343 119G-HA3 A 4.29 ambi=2 { CA:45 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } ::sumAvg: 4.345 atom: 1347 120L-HA A 3.8 ambi=1 { CA:58.8 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } ::sumAvg: 4.785 atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } :: atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } atom: 901 81F-QE E 6.99 ambi=3 { CE1:131 } ::sumAvg: 4.295 atom: 924 83P-HG2 G 1.3 ambi=2 { CG:27.8 } atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } :: atom: 925 83P-HG3 G 1.61 ambi=2 { CG:27.8 } atom: 911 82E-H N 9.05 ambi=1 { N:120.8 } ::sumAvg: 4.385 atom: 912 82E-HA A 4.07 ambi=1 { CA:60.4 } atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } ::sumAvg: 3.005 atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } atom: 912 82E-HA A 4.07 ambi=1 { CA:60.4 } ::sumAvg: 3.005 atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } atom: 921 83P-HA A 4.26 ambi=1 { CA:64.5 } ::sumAvg: 4.35 atom: 921 83P-HA A 4.26 ambi=1 { CA:64.5 } atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 4.35 atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } atom: 922 83P-HB2 B 0.33 ambi=2 { CB:30.8 } ::sumAvg: 4.715 atom: 922 83P-HB2 B 0.33 ambi=2 { CB:30.8 } atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 4.715 atom: 924 83P-HG2 G 1.3 ambi=2 { CG:27.8 } atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } :: atom: 925 83P-HG3 G 1.61 ambi=2 { CG:27.8 } atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 4.335 atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } atom: 933 84F-H N 7.04 ambi=1 { N:113.9 } ::sumAvg: 4.145 atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } ::sumAvg: 4.915 atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 4.915 atom: 913 82E-QB B 2.13 ambi=2 { CB:28.5 } atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } ::sumAvg: 4.045 atom: 915 82E-QG G 2.42 ambi=2 { CG:37.1 } atom: 921 83P-HA A 4.26 ambi=1 { CA:64.5 } ::sumAvg: 4.855 atom: 921 83P-HA A 4.26 ambi=1 { CA:64.5 } atom: 915 82E-QG G 2.42 ambi=2 { CG:37.1 } ::sumAvg: 4.855 atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } atom: 915 82E-QG G 2.42 ambi=2 { CG:37.1 } ::sumAvg: 3.88 atom: 921 83P-HA A 4.26 ambi=1 { CA:64.5 } atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } :: atom: 921 83P-HA A 4.26 ambi=1 { CA:64.5 } atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } ::sumAvg: 3.7 atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } atom: 921 83P-HA A 4.26 ambi=1 { CA:64.5 } :: atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } atom: 921 83P-HA A 4.26 ambi=1 { CA:64.5 } ::sumAvg: 3.7 atom: 921 83P-HA A 4.26 ambi=1 { CA:64.5 } atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } ::sumAvg: 4.53 atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } atom: 921 83P-HA A 4.26 ambi=1 { CA:64.5 } ::sumAvg: 4.53 atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } atom: 922 83P-HB2 B 0.33 ambi=2 { CB:30.8 } :: atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } atom: 922 83P-HB2 B 0.33 ambi=2 { CB:30.8 } :: atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } atom: 923 83P-HB3 B 1.83 ambi=2 { CB:30.8 } :: atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } atom: 923 83P-HB3 B 1.83 ambi=2 { CB:30.8 } ::sumAvg: 3.16 atom: 922 83P-HB2 B 0.33 ambi=2 { CB:30.8 } atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } :: atom: 923 83P-HB3 B 1.83 ambi=2 { CB:30.8 } atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } ::sumAvg: 4.34 atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } atom: 922 83P-HB2 B 0.33 ambi=2 { CB:30.8 } :: atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } atom: 923 83P-HB3 B 1.83 ambi=2 { CB:30.8 } ::sumAvg: 4.34 atom: 924 83P-HG2 G 1.3 ambi=2 { CG:27.8 } atom: 933 84F-H N 7.04 ambi=1 { N:113.9 } :: atom: 925 83P-HG3 G 1.61 ambi=2 { CG:27.8 } atom: 933 84F-H N 7.04 ambi=1 { N:113.9 } ::sumAvg: 3.555 atom: 924 83P-HG2 G 1.3 ambi=2 { CG:27.8 } atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } :: atom: 925 83P-HG3 G 1.61 ambi=2 { CG:27.8 } atom: 937 84F-QD D 6.98 ambi=3 { CD1:131.4 } ::sumAvg: 3.805 atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } :: atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } :: atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } ::sumAvg: 4.495 atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } :: atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } atom: 926 83P-HD2 D 2.8 ambi=2 { CD:50.9 } :: atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } atom: 927 83P-HD3 D 3.69 ambi=2 { CD:50.9 } ::sumAvg: 4.495 atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } atom: 933 84F-H N 7.04 ambi=1 { N:113.9 } ::sumAvg: 4.965 atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } ::sumAvg: 4.61 atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } ::sumAvg: 4.61 atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } atom: 948 85I-QG1 G1 1.36 ambi=2 { CG1:26.9 } ::sumAvg: 4.86 atom: 948 85I-QG1 G1 1.36 ambi=2 { CG1:26.9 } atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } ::sumAvg: 4.86 atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } ::sumAvg: 4.015 atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } ::sumAvg: 4.76 atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } ::sumAvg: 4.76 atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } :: atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } ::sumAvg: 4.835 atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } :: atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } atom: 934 84F-HA A 4.99 ambi=1 { CA:56.1 } ::sumAvg: 4.835 atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } :: atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } ::sumAvg: 4.79 atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } :: atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } ::sumAvg: 4.79 atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } :: atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } ::sumAvg: 4.055 atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } :: atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } ::sumAvg: 4.825 atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } :: atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } ::sumAvg: 4.825 atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } :: atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } :: atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } ::sumAvg: 2.67 atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } atom: 985 88R-HD2 D 3 ambi=2 { CD:42.8 } :: atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } atom: 986 88R-HD3 D 3.23 ambi=2 { CD:42.8 } ::sumAvg: 4.275 atom: 985 88R-HD2 D 3 ambi=2 { CD:42.8 } atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } :: atom: 986 88R-HD3 D 3.23 ambi=2 { CD:42.8 } atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } ::sumAvg: 4.275 atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } :: atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } ::sumAvg: 4.03 atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } :: atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.645 atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } :: atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } ::sumAvg: 4.645 atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 935 84F-HB2 B 2.31 ambi=2 { CB:43 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } :: atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 936 84F-HB3 B 3.3 ambi=2 { CB:43 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } ::sumAvg: 4.405 atom: 985 88R-HD2 D 3 ambi=2 { CD:42.8 } atom: 945 85I-H N 8.29 ambi=1 { N:118.2 } :: atom: 986 88R-HD3 D 3.23 ambi=2 { CD:42.8 } atom: 945 85I-H N 8.29 ambi=1 { N:118.2 } ::sumAvg: 4.89 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 945 85I-H N 8.29 ambi=1 { N:118.2 } ::sumAvg: 4.685 atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } ::sumAvg: 3.075 atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } :: atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } ::sumAvg: 4.815 atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } :: atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } ::sumAvg: 4.815 atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } ::sumAvg: 4.8 atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.725 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 946 85I-HA A 4.16 ambi=1 { CA:62.3 } ::sumAvg: 4.725 atom: 947 85I-HB B 2.1 ambi=1 { CB:38.4 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } ::sumAvg: 4.62 atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } atom: 947 85I-HB B 2.1 ambi=1 { CB:38.4 } ::sumAvg: 4.62 atom: 947 85I-HB B 2.1 ambi=1 { CB:38.4 } atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } ::sumAvg: 3.965 atom: 947 85I-HB B 2.1 ambi=1 { CB:38.4 } atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } ::sumAvg: 4.54 atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } atom: 948 85I-QG1 G1 1.36 ambi=2 { CG1:26.9 } ::sumAvg: 4.69 atom: 948 85I-QG1 G1 1.36 ambi=2 { CG1:26.9 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } ::sumAvg: 3.11 atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } atom: 948 85I-QG1 G1 1.36 ambi=2 { CG1:26.9 } ::sumAvg: 3.11 atom: 948 85I-QG1 G1 1.36 ambi=2 { CG1:26.9 } atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } ::sumAvg: 2.92 atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } atom: 948 85I-QG1 G1 1.36 ambi=2 { CG1:26.9 } ::sumAvg: 4.5 atom: 948 85I-QG1 G1 1.36 ambi=2 { CG1:26.9 } atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } :: atom: 948 85I-QG1 G1 1.36 ambi=2 { CG1:26.9 } atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } ::sumAvg: 4.61 atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } atom: 948 85I-QG1 G1 1.36 ambi=2 { CG1:26.9 } :: atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } atom: 948 85I-QG1 G1 1.36 ambi=2 { CG1:26.9 } ::sumAvg: 4.61 atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } ::sumAvg: 4.04 atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } ::sumAvg: 4.04 atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } ::sumAvg: 3.665 atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } :: atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } ::sumAvg: 3.705 atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } atom: 984 88R-HG3 G 1.57 ambi=2 { CG:26.9 } ::sumAvg: 4.68 atom: 984 88R-HG3 G 1.57 ambi=2 { CG:26.9 } atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } ::sumAvg: 4.68 atom: 950 85I-HG2 G2 1.03 ambi=1 { CG2:17.6 } atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } ::sumAvg: 4.77 atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } ::sumAvg: 3.36 atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } :: atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } ::sumAvg: 4.225 atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } :: atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } atom: 951 85I-HD1 D1 0.92 ambi=1 { CD1:14 } ::sumAvg: 4.225 atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } ::sumAvg: 4.83 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 959 86N-H N 8.96 ambi=1 { N:121.4 } ::sumAvg: 4.37 atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } ::sumAvg: 3.49 atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } ::sumAvg: 4.075 atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } ::sumAvg: 3.97 atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } :: atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } ::sumAvg: 4.94 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } ::sumAvg: 4.94 atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } :: atom: 960 86N-HA A 4.38 ambi=1 { CA:56.4 } atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } ::sumAvg: 3.83 atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } :: atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } ::sumAvg: 4.295 atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } :: atom: 972 87S-HA A 4.19 ambi=1 { CA:61.2 } atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } ::sumAvg: 4.295 atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } :: atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } ::sumAvg: 4.655 atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } :: atom: 973 87S-QB B 3.91 ambi=2 { CB:62 } atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } ::sumAvg: 4.655 atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } :: atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.22 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } :: atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } ::sumAvg: 4.22 atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } :: atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } ::sumAvg: 4.93 atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } :: atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } :: atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } :: atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } ::sumAvg: 4.78 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } :: atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } ::sumAvg: 4.78 atom: 961 86N-HB2 B 2.65 ambi=2 { CB:38.1 } atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } :: atom: 962 86N-HB3 B 2.8 ambi=2 { CB:38.1 } atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } ::sumAvg: 4.35 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 963 86N-HD21 D2 7.44 ambi=1 { ND2:110.7 } ::sumAvg: 4.675 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 963 86N-HD21 D2 7.44 ambi=1 { ND2:110.7 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 963 86N-HD21 D2 7.44 ambi=1 { ND2:110.7 } :: atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 964 86N-HD22 D2 6.89 ambi=1 { ND2:110.7 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 964 86N-HD22 D2 6.89 ambi=1 { ND2:110.7 } ::sumAvg: 3.68 atom: 1320 116S-HA A 4.13 ambi=1 { CA:61.8 } atom: 963 86N-HD21 D2 7.44 ambi=1 { ND2:110.7 } :: atom: 1320 116S-HA A 4.13 ambi=1 { CA:61.8 } atom: 964 86N-HD22 D2 6.89 ambi=1 { ND2:110.7 } ::sumAvg: 4.49 atom: 1321 116S-HB2 B 3.74 ambi=2 { CB:62.9 } atom: 964 86N-HD22 D2 6.89 ambi=1 { ND2:110.7 } :: atom: 1322 116S-HB3 B 3.85 ambi=2 { CB:62.9 } atom: 964 86N-HD22 D2 6.89 ambi=1 { ND2:110.7 } ::sumAvg: 4.875 atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } :: atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } ::sumAvg: 4.875 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 971 87S-H N 8.85 ambi=1 { N:114.1 } ::sumAvg: 4.69 atom: 985 88R-HD2 D 3 ambi=2 { CD:42.8 } atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } :: atom: 986 88R-HD3 D 3.23 ambi=2 { CD:42.8 } atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } ::sumAvg: 4.37 atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } atom: 979 88R-H N 7.35 ambi=1 { N:123.4 } ::sumAvg: 4.935 atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } atom: 985 88R-HD2 D 3 ambi=2 { CD:42.8 } :: atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } atom: 986 88R-HD3 D 3.23 ambi=2 { CD:42.8 } ::sumAvg: 3.235 atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } atom: 987 88R-HE E 6.93 ambi=1 { NE:84.2 } ::sumAvg: 3.915 atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } ::sumAvg: 3.5 atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } ::sumAvg: 4.2 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } ::sumAvg: 4.685 atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } :: atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } ::sumAvg: 3.19 atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } atom: 1019 91E-HG2 G 2.05 ambi=2 { CG:36 } :: atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } atom: 1020 91E-HG3 G 2.36 ambi=2 { CG:36 } ::sumAvg: 4.24 atom: 1019 91E-HG2 G 2.05 ambi=2 { CG:36 } atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } :: atom: 1020 91E-HG3 G 2.36 ambi=2 { CG:36 } atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } ::sumAvg: 4.24 atom: 980 88R-HA A 4.38 ambi=1 { CA:57.2 } atom: 1026 92L-H N 8.18 ambi=1 { N:117.9 } ::sumAvg: 4.27 atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } atom: 987 88R-HE E 6.93 ambi=1 { NE:84.2 } :: atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } atom: 987 88R-HE E 6.93 ambi=1 { NE:84.2 } ::sumAvg: 3.27 atom: 981 88R-HB2 B 1.85 ambi=2 { CB:30.5 } atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } :: atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.25 atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.11 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 982 88R-HB3 B 1.96 ambi=2 { CB:30.5 } ::sumAvg: 4.11 atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } atom: 983 88R-HG2 G 1.37 ambi=2 { CG:26.9 } :: atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } atom: 983 88R-HG2 G 1.37 ambi=2 { CG:26.9 } :: atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } atom: 984 88R-HG3 G 1.57 ambi=2 { CG:26.9 } :: atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } atom: 984 88R-HG3 G 1.57 ambi=2 { CG:26.9 } ::sumAvg: 4.795 atom: 983 88R-HG2 G 1.37 ambi=2 { CG:26.9 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 983 88R-HG2 G 1.37 ambi=2 { CG:26.9 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } :: atom: 984 88R-HG3 G 1.57 ambi=2 { CG:26.9 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 984 88R-HG3 G 1.57 ambi=2 { CG:26.9 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } ::sumAvg: 4.305 atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } atom: 983 88R-HG2 G 1.37 ambi=2 { CG:26.9 } :: atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } atom: 983 88R-HG2 G 1.37 ambi=2 { CG:26.9 } :: atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } atom: 984 88R-HG3 G 1.57 ambi=2 { CG:26.9 } :: atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } atom: 984 88R-HG3 G 1.57 ambi=2 { CG:26.9 } ::sumAvg: 4.305 atom: 985 88R-HD2 D 3 ambi=2 { CD:42.8 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 985 88R-HD2 D 3 ambi=2 { CD:42.8 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } :: atom: 986 88R-HD3 D 3.23 ambi=2 { CD:42.8 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 986 88R-HD3 D 3.23 ambi=2 { CD:42.8 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } ::sumAvg: 4.225 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 995 89A-H N 8.5 ambi=1 { N:122.3 } ::sumAvg: 4.83 atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } ::sumAvg: 3.505 atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } atom: 1026 92L-H N 8.18 ambi=1 { N:117.9 } ::sumAvg: 3.41 atom: 1030 92L-HG G 1.48 ambi=1 { CG:27.4 } atom: 996 89A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.29 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } ::sumAvg: 3.875 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } ::sumAvg: 4.115 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } :: atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } ::sumAvg: 4.735 atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } :: atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.735 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } ::sumAvg: 4.75 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1026 92L-H N 8.18 ambi=1 { N:117.9 } ::sumAvg: 4.57 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1028 92L-HB2 B 0.85 ambi=2 { CB:42.7 } :: atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1029 92L-HB3 B 2.01 ambi=2 { CB:42.7 } ::sumAvg: 3.99 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } ::sumAvg: 3.805 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } ::sumAvg: 4.49 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } ::sumAvg: 3.435 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 3.435 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 4.455 atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.455 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } :: atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } ::sumAvg: 3.01 atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } :: atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } ::sumAvg: 4.07 atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 997 89A-HB B 1.53 ambi=1 { CB:19.1 } ::sumAvg: 4.07 atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } ::sumAvg: 4.775 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } ::sumAvg: 4.27 atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1002 90L-H N 8.62 ambi=1 { N:119.2 } ::sumAvg: 4.43 atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } ::sumAvg: 3.555 atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } ::sumAvg: 4.8 atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } ::sumAvg: 4.8 atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } atom: 1026 92L-H N 8.18 ambi=1 { N:117.9 } ::sumAvg: 4.5 atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } ::sumAvg: 3.665 atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } atom: 1047 94F-H N 8.3 ambi=1 { N:118.9 } ::sumAvg: 4.195 atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 4.145 atom: 1310 115V-HB B 2.19 ambi=1 { CB:31.8 } atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } ::sumAvg: 4.87 atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } :: atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } ::sumAvg: 3.975 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } ::sumAvg: 3.975 atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } :: atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } atom: 1003 90L-HA A 4.19 ambi=1 { CA:59.2 } ::sumAvg: 4.795 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } ::sumAvg: 4.16 atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } :: atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } ::sumAvg: 4.16 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 1020 91E-HG3 G 2.36 ambi=2 { CG:36 } ::sumAvg: 4.755 atom: 1020 91E-HG3 G 2.36 ambi=2 { CG:36 } atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } ::sumAvg: 4.755 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 1026 92L-H N 8.18 ambi=1 { N:117.9 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 1026 92L-H N 8.18 ambi=1 { N:117.9 } ::sumAvg: 4.845 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 4.79 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } ::sumAvg: 4.975 atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } :: atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } ::sumAvg: 4.975 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.2 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } ::sumAvg: 3.99 atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } :: atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } ::sumAvg: 3.99 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } :: atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } ::sumAvg: 4.9 atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } :: atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } :: atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } :: atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } ::sumAvg: 4.9 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } ::sumAvg: 3.615 atom: 1004 90L-HB2 B 1.87 ambi=2 { CB:42.1 } atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } :: atom: 1005 90L-HB3 B 2 ambi=2 { CB:42.1 } atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } ::sumAvg: 4.975 atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } ::sumAvg: 3.87 atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } ::sumAvg: 3.87 atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } atom: 1047 94F-H N 8.3 ambi=1 { N:118.9 } ::sumAvg: 4.595 atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } ::sumAvg: 4.23 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } ::sumAvg: 4.23 atom: 1147 102P-HB2 B 1.16 ambi=2 { CB:31.8 } atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } :: atom: 1148 102P-HB3 B 1.44 ambi=2 { CB:31.8 } atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } ::sumAvg: 4.615 atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } ::sumAvg: 3.865 atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } ::sumAvg: 3.865 atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } atom: 1151 102P-HD2 D 3.12 ambi=2 { CD:49.2 } :: atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } atom: 1152 102P-HD3 D 3.44 ambi=2 { CD:49.2 } ::sumAvg: 4.815 atom: 1151 102P-HD2 D 3.12 ambi=2 { CD:49.2 } atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } :: atom: 1152 102P-HD3 D 3.44 ambi=2 { CD:49.2 } atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } ::sumAvg: 4.815 atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } ::sumAvg: 4.495 atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } ::sumAvg: 4.495 atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 3.89 atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 3.96 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1006 90L-HG G 1.85 ambi=1 { CG:27.5 } ::sumAvg: 3.96 atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } :: atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } ::sumAvg: 4.675 atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } :: atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } ::sumAvg: 4.97 atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } ::sumAvg: 3.4 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } :: atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } ::sumAvg: 4.715 atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } :: atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } ::sumAvg: 4.065 atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } atom: 1148 102P-HB3 B 1.44 ambi=2 { CB:31.8 } ::sumAvg: 4.245 atom: 1148 102P-HB3 B 1.44 ambi=2 { CB:31.8 } atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } ::sumAvg: 4.245 atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } :: atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } :: atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } ::sumAvg: 3.765 atom: 1223 109Q-HA A 4 ambi=1 { CA:59.2 } atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } :: atom: 1223 109Q-HA A 4 ambi=1 { CA:59.2 } atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } ::sumAvg: 4.485 atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } :: atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } ::sumAvg: 4.115 atom: 1007 90L-HD1 D1 1.11 ambi=2 { CD1:27.1 } atom: 1300 114I-HD1 D1 0.51 ambi=1 { CD1:13.5 } :: atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } atom: 1300 114I-HD1 D1 0.51 ambi=1 { CD1:13.5 } ::sumAvg: 4.945 atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } ::sumAvg: 3.935 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } ::sumAvg: 3.935 atom: 1008 90L-HD2 D2 0.98 ambi=2 { CD2:26.5 } atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } ::sumAvg: 3.8 atom: 1028 92L-HB2 B 0.85 ambi=2 { CB:42.7 } atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } :: atom: 1029 92L-HB3 B 2.01 ambi=2 { CB:42.7 } atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } ::sumAvg: 4.805 atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } ::sumAvg: 4.87 atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } :: atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } atom: 1015 91E-H N 7.73 ambi=1 { N:120.7 } ::sumAvg: 4.865 atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } ::sumAvg: 4.505 atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } atom: 1065 95R-H N 7.85 ambi=1 { N:116.9 } ::sumAvg: 4.2 atom: 1016 91E-HA A 3.61 ambi=1 { CA:60.5 } atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } ::sumAvg: 4.355 atom: 1027 92L-HA A 3.6 ambi=1 { CA:57.7 } atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } :: atom: 1027 92L-HA A 3.6 ambi=1 { CA:57.7 } atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } ::sumAvg: 4.18 atom: 1028 92L-HB2 B 0.85 ambi=2 { CB:42.7 } atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } :: atom: 1028 92L-HB2 B 0.85 ambi=2 { CB:42.7 } atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } ::sumAvg: 4.545 atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1030 92L-HG G 1.48 ambi=1 { CG:27.4 } :: atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } atom: 1030 92L-HG G 1.48 ambi=1 { CG:27.4 } ::sumAvg: 4.735 atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } :: atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } ::sumAvg: 4.565 atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } :: atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } :: atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } :: atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } ::sumAvg: 4.565 atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } :: atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } ::sumAvg: 4.88 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } :: atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } ::sumAvg: 4.88 atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } :: atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } :: atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } :: atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } ::sumAvg: 4.385 atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } :: atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } :: atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } :: atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } ::sumAvg: 4.385 atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1151 102P-HD2 D 3.12 ambi=2 { CD:49.2 } :: atom: 1017 91E-HB2 B 2.12 ambi=2 { CB:29 } atom: 1152 102P-HD3 D 3.44 ambi=2 { CD:49.2 } :: atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } atom: 1151 102P-HD2 D 3.12 ambi=2 { CD:49.2 } :: atom: 1018 91E-HB3 B 2.22 ambi=2 { CB:29 } atom: 1152 102P-HD3 D 3.44 ambi=2 { CD:49.2 } ::sumAvg: 3.905 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1019 91E-HG2 G 2.05 ambi=2 { CG:36 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1019 91E-HG2 G 2.05 ambi=2 { CG:36 } :: atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1020 91E-HG3 G 2.36 ambi=2 { CG:36 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1020 91E-HG3 G 2.36 ambi=2 { CG:36 } ::sumAvg: 4.715 atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1019 91E-HG2 G 2.05 ambi=2 { CG:36 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1019 91E-HG2 G 2.05 ambi=2 { CG:36 } :: atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1020 91E-HG3 G 2.36 ambi=2 { CG:36 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1020 91E-HG3 G 2.36 ambi=2 { CG:36 } ::sumAvg: 4.21 atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } atom: 1019 91E-HG2 G 2.05 ambi=2 { CG:36 } :: atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } atom: 1019 91E-HG2 G 2.05 ambi=2 { CG:36 } :: atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } atom: 1020 91E-HG3 G 2.36 ambi=2 { CG:36 } :: atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } atom: 1020 91E-HG3 G 2.36 ambi=2 { CG:36 } ::sumAvg: 3.32 atom: 1151 102P-HD2 D 3.12 ambi=2 { CD:49.2 } atom: 1019 91E-HG2 G 2.05 ambi=2 { CG:36 } :: atom: 1152 102P-HD3 D 3.44 ambi=2 { CD:49.2 } atom: 1019 91E-HG2 G 2.05 ambi=2 { CG:36 } :: atom: 1151 102P-HD2 D 3.12 ambi=2 { CD:49.2 } atom: 1020 91E-HG3 G 2.36 ambi=2 { CG:36 } :: atom: 1152 102P-HD3 D 3.44 ambi=2 { CD:49.2 } atom: 1020 91E-HG3 G 2.36 ambi=2 { CG:36 } ::sumAvg: 3.3 atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } atom: 1026 92L-H N 8.18 ambi=1 { N:117.9 } ::sumAvg: 4.345 atom: 1027 92L-HA A 3.6 ambi=1 { CA:57.7 } atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.8 atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } atom: 1027 92L-HA A 3.6 ambi=1 { CA:57.7 } ::sumAvg: 4.8 atom: 1027 92L-HA A 3.6 ambi=1 { CA:57.7 } atom: 1047 94F-H N 8.3 ambi=1 { N:118.9 } ::sumAvg: 4.58 atom: 1027 92L-HA A 3.6 ambi=1 { CA:57.7 } atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } :: atom: 1027 92L-HA A 3.6 ambi=1 { CA:57.7 } atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } ::sumAvg: 4.18 atom: 1027 92L-HA A 3.6 ambi=1 { CA:57.7 } atom: 1071 95R-QD D 2.89 ambi=2 { CD:43.4 } ::sumAvg: 3.665 atom: 1027 92L-HA A 3.6 ambi=1 { CA:57.7 } atom: 1073 95R-HE E 7.61 ambi=1 { NE:84.3 } ::sumAvg: 4.95 atom: 1027 92L-HA A 3.6 ambi=1 { CA:57.7 } atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } ::sumAvg: 4.685 atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } atom: 1027 92L-HA A 3.6 ambi=1 { CA:57.7 } ::sumAvg: 4.685 atom: 1028 92L-HB2 B 0.85 ambi=2 { CB:42.7 } atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } :: atom: 1029 92L-HB3 B 2.01 ambi=2 { CB:42.7 } atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } ::sumAvg: 4.635 atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } atom: 1028 92L-HB2 B 0.85 ambi=2 { CB:42.7 } :: atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } atom: 1029 92L-HB3 B 2.01 ambi=2 { CB:42.7 } ::sumAvg: 4.635 atom: 1030 92L-HG G 1.48 ambi=1 { CG:27.4 } atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } ::sumAvg: 4.68 atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } ::sumAvg: 4.44 atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } ::sumAvg: 4.565 atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } :: atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } ::sumAvg: 4.87 atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } atom: 1031 92L-HD1 D1 0.45 ambi=2 { CD1:26.3 } :: atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } atom: 1032 92L-HD2 D2 0.64 ambi=2 { CD2:23 } ::sumAvg: 4.08 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } ::sumAvg: 4.635 atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } ::sumAvg: 4.95 atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } :: atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } atom: 1040 93A-H N 8.03 ambi=1 { N:122.4 } ::sumAvg: 4.76 atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } ::sumAvg: 4.805 atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.805 atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } atom: 1065 95R-H N 7.85 ambi=1 { N:116.9 } ::sumAvg: 4.445 atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } atom: 1091 97I-H N 8.18 ambi=1 { N:115.1 } ::sumAvg: 3.955 atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } ::sumAvg: 4.81 atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.81 atom: 1094 97I-HG12 G1 0.55 ambi=2 { CG1:29.1 } atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } :: atom: 1095 97I-HG13 G1 1.43 ambi=2 { CG1:29.1 } atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 3.375 atom: 1097 97I-HD1 D1 0.55 ambi=1 { CD1:13.7 } atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 3.64 atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.94 atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } :: atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.765 atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } :: atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } ::sumAvg: 4.47 atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } :: atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } atom: 1041 93A-HA A 4.11 ambi=1 { CA:55.7 } ::sumAvg: 4.47 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } ::sumAvg: 4.155 atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } atom: 1065 95R-H N 7.85 ambi=1 { N:116.9 } ::sumAvg: 4.54 atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } atom: 1091 97I-H N 8.18 ambi=1 { N:115.1 } ::sumAvg: 4.565 atom: 1094 97I-HG12 G1 0.55 ambi=2 { CG1:29.1 } atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } ::sumAvg: 3.67 atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } atom: 1042 93A-HB B 1.48 ambi=1 { CB:17.7 } ::sumAvg: 4.275 atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1047 94F-H N 8.3 ambi=1 { N:118.9 } ::sumAvg: 4.775 atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } ::sumAvg: 4.38 atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } ::sumAvg: 4.37 atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } atom: 1091 97I-H N 8.18 ambi=1 { N:115.1 } ::sumAvg: 3.795 atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } ::sumAvg: 3.435 atom: 1094 97I-HG12 G1 0.55 ambi=2 { CG1:29.1 } atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } :: atom: 1095 97I-HG13 G1 1.43 ambi=2 { CG1:29.1 } atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } ::sumAvg: 4.795 atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } ::sumAvg: 4.695 atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } ::sumAvg: 4.695 atom: 1097 97I-HD1 D1 0.55 ambi=1 { CD1:13.7 } atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } ::sumAvg: 4.115 atom: 1109 98L-HG G 1.38 ambi=1 { CG:27.3 } atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } ::sumAvg: 3.735 atom: 1048 94F-HA A 3.58 ambi=1 { CA:63.4 } atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } ::sumAvg: 4.835 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } ::sumAvg: 4.37 atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } ::sumAvg: 4.095 atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } ::sumAvg: 4.095 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } ::sumAvg: 4.3 atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } ::sumAvg: 4.3 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } ::sumAvg: 4.965 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } :: atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } ::sumAvg: 4.27 atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } :: atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } ::sumAvg: 4.27 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } :: atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } ::sumAvg: 4.055 atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } :: atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } ::sumAvg: 4.055 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1125 100R-H N 7.4 ambi=1 { N:114 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1125 100R-H N 7.4 ambi=1 { N:114 } ::sumAvg: 4.6 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } ::sumAvg: 4.46 atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } ::sumAvg: 4.46 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1146 102P-HA A 3.76 ambi=1 { CA:62.6 } ::sumAvg: 4.7 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } :: atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } ::sumAvg: 4.19 atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } :: atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } :: atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } ::sumAvg: 4.67 atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } atom: 1049 94F-HB2 B 3.16 ambi=2 { CB:37.6 } :: atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } :: atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } atom: 1050 94F-HB3 B 3.96 ambi=2 { CB:37.6 } ::sumAvg: 4.67 atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 4.905 atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } :: atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 3.615 atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 4.425 atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 4.2 atom: 1146 102P-HA A 3.76 ambi=1 { CA:62.6 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 4.13 atom: 1147 102P-HB2 B 1.16 ambi=2 { CB:31.8 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } :: atom: 1148 102P-HB3 B 1.44 ambi=2 { CB:31.8 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 4.155 atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } :: atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 3.64 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1051 94F-QD D 6.97 ambi=3 { CD1:130.6 CD2:130.3 } ::sumAvg: 4.145 atom: 1146 102P-HA A 3.76 ambi=1 { CA:62.6 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } ::sumAvg: 4.24 atom: 1147 102P-HB2 B 1.16 ambi=2 { CB:31.8 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } :: atom: 1148 102P-HB3 B 1.44 ambi=2 { CB:31.8 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } ::sumAvg: 4.04 atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } :: atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } ::sumAvg: 4.54 atom: 1151 102P-HD2 D 3.12 ambi=2 { CD:49.2 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } :: atom: 1152 102P-HD3 D 3.44 ambi=2 { CD:49.2 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } ::sumAvg: 4.745 atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } ::sumAvg: 3.85 atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } ::sumAvg: 4.005 atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } :: atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } ::sumAvg: 4.29 atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1053 94F-QE E 6.7 ambi=3 { CE1:130.8 } ::sumAvg: 3.085 atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } :: atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } ::sumAvg: 4.88 atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } ::sumAvg: 4.38 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } ::sumAvg: 3.25 atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1055 94F-HZ Z 6.36 ambi=1 { CZ:129.7 } ::sumAvg: 4.625 atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1065 95R-H N 7.85 ambi=1 { N:116.9 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1065 95R-H N 7.85 ambi=1 { N:116.9 } ::sumAvg: 4 atom: 1071 95R-QD D 2.89 ambi=2 { CD:43.4 } atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } ::sumAvg: 3.115 atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } atom: 1073 95R-HE E 7.61 ambi=1 { NE:84.3 } ::sumAvg: 4.835 atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } atom: 1082 96H-HA A 4.34 ambi=1 { CA:57.8 } ::sumAvg: 4.645 atom: 1082 96H-HA A 4.34 ambi=1 { CA:57.8 } atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } ::sumAvg: 4.645 atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } atom: 1091 97I-H N 8.18 ambi=1 { N:115.1 } ::sumAvg: 4.48 atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } :: atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } ::sumAvg: 4.85 atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } :: atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } ::sumAvg: 4.85 atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } ::sumAvg: 3.275 atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } ::sumAvg: 3.275 atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } ::sumAvg: 4.22 atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } ::sumAvg: 4.22 atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } ::sumAvg: 4.89 atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } ::sumAvg: 4.89 atom: 1066 95R-HA A 3.42 ambi=1 { CA:60.3 } atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } ::sumAvg: 3.98 atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1073 95R-HE E 7.61 ambi=1 { NE:84.3 } ::sumAvg: 3.145 atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } ::sumAvg: 3.045 atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1082 96H-HA A 4.34 ambi=1 { CA:57.8 } ::sumAvg: 3.965 atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } ::sumAvg: 3.915 atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1091 97I-H N 8.18 ambi=1 { N:115.1 } ::sumAvg: 4.83 atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } ::sumAvg: 4.705 atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } :: atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } ::sumAvg: 4.475 atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } :: atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } ::sumAvg: 4.475 atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } atom: 1141 101G-H N 8.32 ambi=1 { N:103.8 } ::sumAvg: 4.585 atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } ::sumAvg: 3.96 atom: 1617 145L-HD1 D1 0.89 ambi=2 { CD1:24.9 } atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } :: atom: 1618 145L-HD2 D2 0.82 ambi=2 { CD2:24.2 } atom: 1067 95R-QB B 1.46 ambi=2 { CB:29.8 } ::sumAvg: 3.88 atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } :: atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } ::sumAvg: 3.76 atom: 1082 96H-HA A 4.34 ambi=1 { CA:57.8 } atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } :: atom: 1082 96H-HA A 4.34 ambi=1 { CA:57.8 } atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } ::sumAvg: 4.835 atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } :: atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } ::sumAvg: 4.79 atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } :: atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } ::sumAvg: 4.79 atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } :: atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } :: atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } :: atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } ::sumAvg: 4.38 atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } :: atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } :: atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } :: atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } ::sumAvg: 4.38 atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } :: atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } ::sumAvg: 4.685 atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1069 95R-HG2 G 1.21 ambi=2 { CG:28.2 } :: atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1070 95R-HG3 G 1.53 ambi=2 { CG:28.2 } ::sumAvg: 4.71 atom: 1071 95R-QD D 2.89 ambi=2 { CD:43.4 } atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } ::sumAvg: 4.915 atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1071 95R-QD D 2.89 ambi=2 { CD:43.4 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1071 95R-QD D 2.89 ambi=2 { CD:43.4 } ::sumAvg: 4.965 atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } ::sumAvg: 4.595 atom: 1094 97I-HG12 G1 0.55 ambi=2 { CG1:29.1 } atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } :: atom: 1095 97I-HG13 G1 1.43 ambi=2 { CG1:29.1 } atom: 1081 96H-H N 8.07 ambi=1 { N:113.8 } ::sumAvg: 4.08 atom: 1082 96H-HA A 4.34 ambi=1 { CA:57.8 } atom: 1091 97I-H N 8.18 ambi=1 { N:115.1 } ::sumAvg: 3.49 atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1082 96H-HA A 4.34 ambi=1 { CA:57.8 } ::sumAvg: 4.38 atom: 1082 96H-HA A 4.34 ambi=1 { CA:57.8 } atom: 1617 145L-HD1 D1 0.89 ambi=2 { CD1:24.9 } :: atom: 1082 96H-HA A 4.34 ambi=1 { CA:57.8 } atom: 1618 145L-HD2 D2 0.82 ambi=2 { CD2:24.2 } ::sumAvg: 4.26 atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } atom: 1092 97I-HA A 3.75 ambi=1 { CA:64 } ::sumAvg: 4.04 atom: 1092 97I-HA A 3.75 ambi=1 { CA:64 } atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } ::sumAvg: 4.04 atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } ::sumAvg: 4.64 atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } atom: 1083 96H-QB B 3.04 ambi=2 { CB:29.6 } ::sumAvg: 4.64 atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } atom: 1091 97I-H N 8.18 ambi=1 { N:115.1 } :: atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } atom: 1091 97I-H N 8.18 ambi=1 { N:115.1 } ::sumAvg: 4.795 atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } atom: 1091 97I-H N 8.18 ambi=1 { N:115.1 } :: atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1091 97I-H N 8.18 ambi=1 { N:115.1 } ::sumAvg: 4.535 atom: 1092 97I-HA A 3.75 ambi=1 { CA:64 } atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } ::sumAvg: 4.58 atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1092 97I-HA A 3.75 ambi=1 { CA:64 } ::sumAvg: 4.58 atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } atom: 1092 97I-HA A 3.75 ambi=1 { CA:64 } :: atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1092 97I-HA A 3.75 ambi=1 { CA:64 } ::sumAvg: 4.765 atom: 1092 97I-HA A 3.75 ambi=1 { CA:64 } atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } ::sumAvg: 4.705 atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } atom: 1092 97I-HA A 3.75 ambi=1 { CA:64 } :: atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } atom: 1092 97I-HA A 3.75 ambi=1 { CA:64 } ::sumAvg: 4.64 atom: 1092 97I-HA A 3.75 ambi=1 { CA:64 } atom: 1585 143P-HB2 B 1.17 ambi=2 { CB:31.4 } :: atom: 1092 97I-HA A 3.75 ambi=1 { CA:64 } atom: 1586 143P-HB3 B 1.26 ambi=2 { CB:31.4 } ::sumAvg: 4.635 atom: 1587 143P-QG G 1.61 ambi=2 { CG:29.5 } atom: 1092 97I-HA A 3.75 ambi=1 { CA:64 } ::sumAvg: 4.575 atom: 1094 97I-HG12 G1 0.55 ambi=2 { CG1:29.1 } atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } ::sumAvg: 2.48 atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } ::sumAvg: 4.465 atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } ::sumAvg: 4.465 atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } :: atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } ::sumAvg: 3.22 atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } ::sumAvg: 4.545 atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } ::sumAvg: 3.405 atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } :: atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } atom: 1093 97I-HB B 1.62 ambi=1 { CB:38 } ::sumAvg: 4.71 atom: 1094 97I-HG12 G1 0.55 ambi=2 { CG1:29.1 } atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } :: atom: 1095 97I-HG13 G1 1.43 ambi=2 { CG1:29.1 } atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } ::sumAvg: 4.235 atom: 1094 97I-HG12 G1 0.55 ambi=2 { CG1:29.1 } atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } :: atom: 1095 97I-HG13 G1 1.43 ambi=2 { CG1:29.1 } atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } ::sumAvg: 4.895 atom: 1094 97I-HG12 G1 0.55 ambi=2 { CG1:29.1 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } :: atom: 1095 97I-HG13 G1 1.43 ambi=2 { CG1:29.1 } atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } :: atom: 1095 97I-HG13 G1 1.43 ambi=2 { CG1:29.1 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } ::sumAvg: 3.815 atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } atom: 1095 97I-HG13 G1 1.43 ambi=2 { CG1:29.1 } :: atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } atom: 1095 97I-HG13 G1 1.43 ambi=2 { CG1:29.1 } ::sumAvg: 3.565 atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } ::sumAvg: 3.315 atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } ::sumAvg: 3.315 atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } :: atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } ::sumAvg: 4.26 atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } :: atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } ::sumAvg: 4.26 atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } atom: 1109 98L-HG G 1.38 ambi=1 { CG:27.3 } ::sumAvg: 3.755 atom: 1109 98L-HG G 1.38 ambi=1 { CG:27.3 } atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } ::sumAvg: 3.755 atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } ::sumAvg: 4.89 atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } ::sumAvg: 4.115 atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } ::sumAvg: 4.115 atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } ::sumAvg: 4.47 atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } ::sumAvg: 4.735 atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } ::sumAvg: 4.735 atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } :: atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } atom: 1096 97I-HG2 G2 0.74 ambi=1 { CG2:19.1 } ::sumAvg: 4.72 atom: 1097 97I-HD1 D1 0.55 ambi=1 { CD1:13.7 } atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } ::sumAvg: 4.795 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1097 97I-HD1 D1 0.55 ambi=1 { CD1:13.7 } ::sumAvg: 4.795 atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } atom: 1097 97I-HD1 D1 0.55 ambi=1 { CD1:13.7 } ::sumAvg: 3.85 atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } atom: 1097 97I-HD1 D1 0.55 ambi=1 { CD1:13.7 } ::sumAvg: 3.87 atom: 1097 97I-HD1 D1 0.55 ambi=1 { CD1:13.7 } atom: 1431 128V-HA A 2.97 ambi=1 { CA:64.9 } ::sumAvg: 4.525 atom: 1097 97I-HD1 D1 0.55 ambi=1 { CD1:13.7 } atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } ::sumAvg: 4.935 atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } ::sumAvg: 2.89 atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } :: atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } ::sumAvg: 4.495 atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } :: atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } atom: 1105 98L-H N 7.81 ambi=1 { N:110.6 } ::sumAvg: 3.93 atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } :: atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } ::sumAvg: 2.53 atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1109 98L-HG G 1.38 ambi=1 { CG:27.3 } ::sumAvg: 3.055 atom: 1109 98L-HG G 1.38 ambi=1 { CG:27.3 } atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } ::sumAvg: 3.055 atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } :: atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } ::sumAvg: 2.565 atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } ::sumAvg: 3.425 atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } ::sumAvg: 4.53 atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } ::sumAvg: 4.53 atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1125 100R-H N 7.4 ambi=1 { N:114 } ::sumAvg: 4.575 atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } :: atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } ::sumAvg: 4.755 atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } :: atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } ::sumAvg: 4.755 atom: 1106 98L-HA A 4.83 ambi=1 { CA:53.7 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } ::sumAvg: 4.1 atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } :: atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } :: atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } :: atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } ::sumAvg: 4.8 atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } :: atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } :: atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } :: atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } ::sumAvg: 4.8 atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } atom: 1129 100R-HG2 G 1.06 ambi=2 { CG:26.1 } :: atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } atom: 1130 100R-HG3 G 1.2 ambi=2 { CG:26.1 } ::sumAvg: 4.785 atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } atom: 1141 101G-H N 8.32 ambi=1 { N:103.8 } :: atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } atom: 1141 101G-H N 8.32 ambi=1 { N:103.8 } ::sumAvg: 4.845 atom: 1107 98L-HB2 B 1.35 ambi=2 { CB:44.8 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } :: atom: 1108 98L-HB3 B 1.68 ambi=2 { CB:44.8 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } ::sumAvg: 4.425 atom: 1109 98L-HG G 1.38 ambi=1 { CG:27.3 } atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } ::sumAvg: 4.775 atom: 1109 98L-HG G 1.38 ambi=1 { CG:27.3 } atom: 1417 127L-HA A 4.05 ambi=1 { CA:57.7 } ::sumAvg: 4.795 atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } atom: 1109 98L-HG G 1.38 ambi=1 { CG:27.3 } :: atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } atom: 1109 98L-HG G 1.38 ambi=1 { CG:27.3 } ::sumAvg: 3.72 atom: 1109 98L-HG G 1.38 ambi=1 { CG:27.3 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } ::sumAvg: 4.4 atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } :: atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } ::sumAvg: 4.145 atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } atom: 1125 100R-H N 7.4 ambi=1 { N:114 } :: atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1125 100R-H N 7.4 ambi=1 { N:114 } ::sumAvg: 4.155 atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } :: atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } ::sumAvg: 3.39 atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } :: atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } ::sumAvg: 4.86 atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } :: atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } ::sumAvg: 2.745 atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } :: atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } ::sumAvg: 4.485 atom: 1110 98L-HD1 D1 0.55 ambi=2 { CD1:25.4 } atom: 1431 128V-HA A 2.97 ambi=1 { CA:64.9 } :: atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1431 128V-HA A 2.97 ambi=1 { CA:64.9 } ::sumAvg: 4.83 atom: 1111 98L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } ::sumAvg: 4.685 atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } ::sumAvg: 4.92 atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } atom: 1119 99G-H N 7.27 ambi=1 { N:105.2 } ::sumAvg: 4.615 atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } ::sumAvg: 4.42 atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } ::sumAvg: 4.42 atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } :: atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } ::sumAvg: 4.515 atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } :: atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } ::sumAvg: 4.515 atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1613 145L-HA A 4.4 ambi=1 { CA:55.6 } ::sumAvg: 4.39 atom: 1613 145L-HA A 4.4 ambi=1 { CA:55.6 } atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } ::sumAvg: 4.39 atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1614 145L-HB2 B 1.54 ambi=2 { CB:41.8 } :: atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1615 145L-HB3 B 1.74 ambi=2 { CB:41.8 } :: atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } atom: 1614 145L-HB2 B 1.54 ambi=2 { CB:41.8 } :: atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } atom: 1615 145L-HB3 B 1.74 ambi=2 { CB:41.8 } ::sumAvg: 4.015 atom: 1614 145L-HB2 B 1.54 ambi=2 { CB:41.8 } atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } :: atom: 1615 145L-HB3 B 1.74 ambi=2 { CB:41.8 } atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } :: atom: 1614 145L-HB2 B 1.54 ambi=2 { CB:41.8 } atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } :: atom: 1615 145L-HB3 B 1.74 ambi=2 { CB:41.8 } atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } ::sumAvg: 4.015 atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } atom: 1616 145L-HG G 1.76 ambi=1 { CG:26.8 } :: atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } atom: 1616 145L-HG G 1.76 ambi=1 { CG:26.8 } ::sumAvg: 4.29 atom: 1616 145L-HG G 1.76 ambi=1 { CG:26.8 } atom: 1120 99G-HA2 A 3.75 ambi=2 { CA:46.1 } :: atom: 1616 145L-HG G 1.76 ambi=1 { CG:26.8 } atom: 1121 99G-HA3 A 4.53 ambi=2 { CA:46.1 } ::sumAvg: 4.29 atom: 1131 100R-HD2 D 2.72 ambi=2 { CD:43.3 } atom: 1125 100R-H N 7.4 ambi=1 { N:114 } :: atom: 1132 100R-HD3 D 2.94 ambi=2 { CD:43.3 } atom: 1125 100R-H N 7.4 ambi=1 { N:114 } ::sumAvg: 4.91 atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1125 100R-H N 7.4 ambi=1 { N:114 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1125 100R-H N 7.4 ambi=1 { N:114 } ::sumAvg: 4.58 atom: 1131 100R-HD2 D 2.72 ambi=2 { CD:43.3 } atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } :: atom: 1132 100R-HD3 D 2.94 ambi=2 { CD:43.3 } atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } ::sumAvg: 3.35 atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } atom: 1133 100R-HE E 9.56 ambi=1 { NE:86.1 } ::sumAvg: 3.84 atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } ::sumAvg: 4.44 atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } ::sumAvg: 4.44 atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } atom: 1617 145L-HD1 D1 0.89 ambi=2 { CD1:24.9 } :: atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } atom: 1618 145L-HD2 D2 0.82 ambi=2 { CD2:24.2 } ::sumAvg: 4.84 atom: 1617 145L-HD1 D1 0.89 ambi=2 { CD1:24.9 } atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } :: atom: 1618 145L-HD2 D2 0.82 ambi=2 { CD2:24.2 } atom: 1126 100R-HA A 4.72 ambi=1 { CA:53.9 } ::sumAvg: 4.84 atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } atom: 1133 100R-HE E 9.56 ambi=1 { NE:86.1 } ::sumAvg: 2.945 atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } :: atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } ::sumAvg: 4.38 atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1127 100R-QB B 1.64 ambi=2 { CB:32.2 } ::sumAvg: 4.38 atom: 1129 100R-HG2 G 1.06 ambi=2 { CG:26.1 } atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } :: atom: 1129 100R-HG2 G 1.06 ambi=2 { CG:26.1 } atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } :: atom: 1130 100R-HG3 G 1.2 ambi=2 { CG:26.1 } atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } :: atom: 1130 100R-HG3 G 1.2 ambi=2 { CG:26.1 } atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } ::sumAvg: 4.935 atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1129 100R-HG2 G 1.06 ambi=2 { CG:26.1 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1129 100R-HG2 G 1.06 ambi=2 { CG:26.1 } :: atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1130 100R-HG3 G 1.2 ambi=2 { CG:26.1 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1130 100R-HG3 G 1.2 ambi=2 { CG:26.1 } ::sumAvg: 4.935 atom: 1131 100R-HD2 D 2.72 ambi=2 { CD:43.3 } atom: 1141 101G-H N 8.32 ambi=1 { N:103.8 } :: atom: 1132 100R-HD3 D 2.94 ambi=2 { CD:43.3 } atom: 1141 101G-H N 8.32 ambi=1 { N:103.8 } ::sumAvg: 4.57 atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1146 102P-HA A 3.76 ambi=1 { CA:62.6 } ::sumAvg: 4.41 atom: 1146 102P-HA A 3.76 ambi=1 { CA:62.6 } atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } ::sumAvg: 4.41 atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } :: atom: 1142 101G-HA2 A 3.62 ambi=2 { CA:43.6 } atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } :: atom: 1143 101G-HA3 A 4.37 ambi=2 { CA:43.6 } atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } ::sumAvg: 4.235 atom: 1146 102P-HA A 3.76 ambi=1 { CA:62.6 } atom: 1159 103S-HA A 4.4 ambi=1 { CA:59.2 } ::sumAvg: 4.405 atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } atom: 1146 102P-HA A 3.76 ambi=1 { CA:62.6 } ::sumAvg: 4.195 atom: 1146 102P-HA A 3.76 ambi=1 { CA:62.6 } atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } :: atom: 1146 102P-HA A 3.76 ambi=1 { CA:62.6 } atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } ::sumAvg: 4.13 atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1146 102P-HA A 3.76 ambi=1 { CA:62.6 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1146 102P-HA A 3.76 ambi=1 { CA:62.6 } ::sumAvg: 4.13 atom: 1147 102P-HB2 B 1.16 ambi=2 { CB:31.8 } atom: 1159 103S-HA A 4.4 ambi=1 { CA:59.2 } :: atom: 1148 102P-HB3 B 1.44 ambi=2 { CB:31.8 } atom: 1159 103S-HA A 4.4 ambi=1 { CA:59.2 } ::sumAvg: 4.76 atom: 1159 103S-HA A 4.4 ambi=1 { CA:59.2 } atom: 1147 102P-HB2 B 1.16 ambi=2 { CB:31.8 } :: atom: 1159 103S-HA A 4.4 ambi=1 { CA:59.2 } atom: 1148 102P-HB3 B 1.44 ambi=2 { CB:31.8 } ::sumAvg: 4.76 atom: 1147 102P-HB2 B 1.16 ambi=2 { CB:31.8 } atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } :: atom: 1148 102P-HB3 B 1.44 ambi=2 { CB:31.8 } atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } ::sumAvg: 3.8 atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1147 102P-HB2 B 1.16 ambi=2 { CB:31.8 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1147 102P-HB2 B 1.16 ambi=2 { CB:31.8 } :: atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1148 102P-HB3 B 1.44 ambi=2 { CB:31.8 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1148 102P-HB3 B 1.44 ambi=2 { CB:31.8 } ::sumAvg: 4.56 atom: 1147 102P-HB2 B 1.16 ambi=2 { CB:31.8 } atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } :: atom: 1148 102P-HB3 B 1.44 ambi=2 { CB:31.8 } atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } ::sumAvg: 4.09 atom: 1147 102P-HB2 B 1.16 ambi=2 { CB:31.8 } atom: 1214 108V-HB B 2.14 ambi=1 { CB:31.6 } :: atom: 1148 102P-HB3 B 1.44 ambi=2 { CB:31.8 } atom: 1214 108V-HB B 2.14 ambi=1 { CB:31.6 } ::sumAvg: 4.705 atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } atom: 1149 102P-HG2 G 0.7 ambi=2 { CG:26.7 } :: atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } atom: 1150 102P-HG3 G 1.65 ambi=2 { CG:26.7 } ::sumAvg: 4.43 atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } atom: 1158 103S-H N 9.66 ambi=1 { N:117.2 } ::sumAvg: 4.995 atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } atom: 1158 103S-H N 9.66 ambi=1 { N:117.2 } ::sumAvg: 3.88 atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1158 103S-H N 9.66 ambi=1 { N:117.2 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1158 103S-H N 9.66 ambi=1 { N:117.2 } ::sumAvg: 4.525 atom: 1159 103S-HA A 4.4 ambi=1 { CA:59.2 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1159 103S-HA A 4.4 ambi=1 { CA:59.2 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.9 atom: 1160 103S-HB2 B 3.78 ambi=2 { CB:65.4 } atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } :: atom: 1161 103S-HB3 B 3.96 ambi=2 { CB:65.4 } atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } ::sumAvg: 4.57 atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } atom: 1160 103S-HB2 B 3.78 ambi=2 { CB:65.4 } :: atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } atom: 1161 103S-HB3 B 3.96 ambi=2 { CB:65.4 } ::sumAvg: 4.57 atom: 1160 103S-HB2 B 3.78 ambi=2 { CB:65.4 } atom: 1169 104S-HB3 B 4.24 ambi=2 { CB:66 } ::sumAvg: 4.445 atom: 1169 104S-HB3 B 4.24 ambi=2 { CB:66 } atom: 1160 103S-HB2 B 3.78 ambi=2 { CB:65.4 } ::sumAvg: 4.445 atom: 1160 103S-HB2 B 3.78 ambi=2 { CB:65.4 } atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } :: atom: 1161 103S-HB3 B 3.96 ambi=2 { CB:65.4 } atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } ::sumAvg: 4.46 atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } atom: 1160 103S-HB2 B 3.78 ambi=2 { CB:65.4 } :: atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } atom: 1161 103S-HB3 B 3.96 ambi=2 { CB:65.4 } ::sumAvg: 4.46 atom: 1160 103S-HB2 B 3.78 ambi=2 { CB:65.4 } atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } :: atom: 1160 103S-HB2 B 3.78 ambi=2 { CB:65.4 } atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } :: atom: 1161 103S-HB3 B 3.96 ambi=2 { CB:65.4 } atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } :: atom: 1161 103S-HB3 B 3.96 ambi=2 { CB:65.4 } atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } ::sumAvg: 4.81 atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1160 103S-HB2 B 3.78 ambi=2 { CB:65.4 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1160 103S-HB2 B 3.78 ambi=2 { CB:65.4 } :: atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1161 103S-HB3 B 3.96 ambi=2 { CB:65.4 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1161 103S-HB3 B 3.96 ambi=2 { CB:65.4 } ::sumAvg: 4.81 atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1166 104S-H N 7.37 ambi=1 { N:113.1 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1166 104S-H N 7.37 ambi=1 { N:113.1 } ::sumAvg: 4.09 atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } atom: 1175 105R-HA A 4 ambi=1 { CA:58.9 } ::sumAvg: 4.29 atom: 1175 105R-HA A 4 ambi=1 { CA:58.9 } atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } ::sumAvg: 4.29 atom: 1176 105R-HB2 B 1.79 ambi=2 { CB:29.6 } atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } :: atom: 1177 105R-HB3 B 1.86 ambi=2 { CB:29.6 } atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } ::sumAvg: 4.735 atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } atom: 1201 107E-H N 8.15 ambi=1 { N:122.9 } ::sumAvg: 4.74 atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } ::sumAvg: 4.485 atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } ::sumAvg: 4.485 atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.215 atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } :: atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } atom: 1167 104S-HA A 4.64 ambi=1 { CA:57.1 } ::sumAvg: 4.215 atom: 1168 104S-HB2 B 4.08 ambi=2 { CB:66 } atom: 1192 106E-HB2 B 1.92 ambi=2 { CB:28.8 } :: atom: 1168 104S-HB2 B 4.08 ambi=2 { CB:66 } atom: 1193 106E-HB3 B 2.1 ambi=2 { CB:28.8 } :: atom: 1169 104S-HB3 B 4.24 ambi=2 { CB:66 } atom: 1192 106E-HB2 B 1.92 ambi=2 { CB:28.8 } :: atom: 1169 104S-HB3 B 4.24 ambi=2 { CB:66 } atom: 1193 106E-HB3 B 2.1 ambi=2 { CB:28.8 } ::sumAvg: 4.235 atom: 1168 104S-HB2 B 4.08 ambi=2 { CB:66 } atom: 1194 106E-HG2 G 2.25 ambi=2 { CG:37.2 } :: atom: 1168 104S-HB2 B 4.08 ambi=2 { CB:66 } atom: 1195 106E-HG3 G 2.42 ambi=2 { CG:37.2 } :: atom: 1169 104S-HB3 B 4.24 ambi=2 { CB:66 } atom: 1194 106E-HG2 G 2.25 ambi=2 { CG:37.2 } :: atom: 1169 104S-HB3 B 4.24 ambi=2 { CB:66 } atom: 1195 106E-HG3 G 2.42 ambi=2 { CG:37.2 } ::sumAvg: 4.735 atom: 1168 104S-HB2 B 4.08 ambi=2 { CB:66 } atom: 1201 107E-H N 8.15 ambi=1 { N:122.9 } :: atom: 1169 104S-HB3 B 4.24 ambi=2 { CB:66 } atom: 1201 107E-H N 8.15 ambi=1 { N:122.9 } ::sumAvg: 3.12 atom: 1168 104S-HB2 B 4.08 ambi=2 { CB:66 } atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } :: atom: 1169 104S-HB3 B 4.24 ambi=2 { CB:66 } atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } ::sumAvg: 3.16 atom: 1168 104S-HB2 B 4.08 ambi=2 { CB:66 } atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } :: atom: 1169 104S-HB3 B 4.24 ambi=2 { CB:66 } atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } ::sumAvg: 4.52 atom: 1168 104S-HB2 B 4.08 ambi=2 { CB:66 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1168 104S-HB2 B 4.08 ambi=2 { CB:66 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } :: atom: 1169 104S-HB3 B 4.24 ambi=2 { CB:66 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1169 104S-HB3 B 4.24 ambi=2 { CB:66 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.825 atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } atom: 1174 105R-H N 9.09 ambi=1 { N:121.8 } ::sumAvg: 4.16 atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } atom: 1174 105R-H N 9.09 ambi=1 { N:121.8 } :: atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } atom: 1174 105R-H N 9.09 ambi=1 { N:121.8 } ::sumAvg: 4.335 atom: 1175 105R-HA A 4 ambi=1 { CA:58.9 } atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } ::sumAvg: 3.21 atom: 1175 105R-HA A 4 ambi=1 { CA:58.9 } atom: 1201 107E-H N 8.15 ambi=1 { N:122.9 } ::sumAvg: 4.38 atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } atom: 1175 105R-HA A 4 ambi=1 { CA:58.9 } ::sumAvg: 4.89 atom: 1176 105R-HB2 B 1.79 ambi=2 { CB:29.6 } atom: 1182 105R-HE E 7.21 ambi=1 { NE:84.3 } :: atom: 1177 105R-HB3 B 1.86 ambi=2 { CB:29.6 } atom: 1182 105R-HE E 7.21 ambi=1 { NE:84.3 } ::sumAvg: 3.375 atom: 1191 106E-HA A 4 ambi=1 { CA:60.4 } atom: 1176 105R-HB2 B 1.79 ambi=2 { CB:29.6 } :: atom: 1191 106E-HA A 4 ambi=1 { CA:60.4 } atom: 1177 105R-HB3 B 1.86 ambi=2 { CB:29.6 } ::sumAvg: 4.45 atom: 1178 105R-HG2 G 1.61 ambi=2 { CG:27.1 } atom: 1182 105R-HE E 7.21 ambi=1 { NE:84.3 } :: atom: 1179 105R-HG3 G 1.69 ambi=2 { CG:27.1 } atom: 1182 105R-HE E 7.21 ambi=1 { NE:84.3 } ::sumAvg: 2.865 atom: 1191 106E-HA A 4 ambi=1 { CA:60.4 } atom: 1178 105R-HG2 G 1.61 ambi=2 { CG:27.1 } :: atom: 1191 106E-HA A 4 ambi=1 { CA:60.4 } atom: 1179 105R-HG3 G 1.69 ambi=2 { CG:27.1 } ::sumAvg: 4.91 atom: 1178 105R-HG2 G 1.61 ambi=2 { CG:27.1 } atom: 1214 108V-HB B 2.14 ambi=1 { CB:31.6 } :: atom: 1179 105R-HG3 G 1.69 ambi=2 { CG:27.1 } atom: 1214 108V-HB B 2.14 ambi=1 { CB:31.6 } ::sumAvg: 4.745 atom: 1214 108V-HB B 2.14 ambi=1 { CB:31.6 } atom: 1178 105R-HG2 G 1.61 ambi=2 { CG:27.1 } :: atom: 1214 108V-HB B 2.14 ambi=1 { CB:31.6 } atom: 1179 105R-HG3 G 1.69 ambi=2 { CG:27.1 } ::sumAvg: 4.745 atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } atom: 1190 106E-H N 8.78 ambi=1 { N:119.8 } ::sumAvg: 3.905 atom: 1191 106E-HA A 4 ambi=1 { CA:60.4 } atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } ::sumAvg: 4.475 atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } atom: 1214 108V-HB B 2.14 ambi=1 { CB:31.6 } ::sumAvg: 4.76 atom: 1214 108V-HB B 2.14 ambi=1 { CB:31.6 } atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } ::sumAvg: 4.76 atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.51 atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } atom: 1224 109Q-QB B 2.14 ambi=2 { CB:28.2 } ::sumAvg: 4.67 atom: 1224 109Q-QB B 2.14 ambi=2 { CB:28.2 } atom: 1180 105R-QD D 3.18 ambi=2 { CD:43.2 } ::sumAvg: 4.67 atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } atom: 1190 106E-H N 8.78 ambi=1 { N:119.8 } ::sumAvg: 4.27 atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } atom: 1190 106E-H N 8.78 ambi=1 { N:119.8 } :: atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } atom: 1190 106E-H N 8.78 ambi=1 { N:119.8 } ::sumAvg: 4.925 atom: 1191 106E-HA A 4 ambi=1 { CA:60.4 } atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } ::sumAvg: 4.535 atom: 1191 106E-HA A 4 ambi=1 { CA:60.4 } atom: 1228 109Q-HE21 E2 7.44 ambi=2 { NE2:111.9 } :: atom: 1191 106E-HA A 4 ambi=1 { CA:60.4 } atom: 1229 109Q-HE22 E2 6.86 ambi=2 { NE2:111.9 } ::sumAvg: 4.38 atom: 1191 106E-HA A 4 ambi=1 { CA:60.4 } atom: 1237 110K-H N 7.99 ambi=1 { N:120.4 } ::sumAvg: 3.975 atom: 1191 106E-HA A 4 ambi=1 { CA:60.4 } atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } ::sumAvg: 4.605 atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } atom: 1191 106E-HA A 4 ambi=1 { CA:60.4 } ::sumAvg: 4.605 atom: 1192 106E-HB2 B 1.92 ambi=2 { CB:28.8 } atom: 1202 107E-HA A 4.24 ambi=1 { CA:60.1 } :: atom: 1193 106E-HB3 B 2.1 ambi=2 { CB:28.8 } atom: 1202 107E-HA A 4.24 ambi=1 { CA:60.1 } ::sumAvg: 4.23 atom: 1195 106E-HG3 G 2.42 ambi=2 { CG:37.2 } atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } ::sumAvg: 4.925 atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } atom: 1195 106E-HG3 G 2.42 ambi=2 { CG:37.2 } ::sumAvg: 4.925 atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1201 107E-H N 8.15 ambi=1 { N:122.9 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1201 107E-H N 8.15 ambi=1 { N:122.9 } ::sumAvg: 4.13 atom: 1214 108V-HB B 2.14 ambi=1 { CB:31.6 } atom: 1201 107E-H N 8.15 ambi=1 { N:122.9 } ::sumAvg: 4.82 atom: 1202 107E-HA A 4.24 ambi=1 { CA:60.1 } atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } ::sumAvg: 4.84 atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } atom: 1202 107E-HA A 4.24 ambi=1 { CA:60.1 } ::sumAvg: 4.84 atom: 1202 107E-HA A 4.24 ambi=1 { CA:60.1 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1202 107E-HA A 4.24 ambi=1 { CA:60.1 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.995 atom: 1241 110K-HG2 G 0.64 ambi=2 { CG:24.6 } atom: 1202 107E-HA A 4.24 ambi=1 { CA:60.1 } :: atom: 1242 110K-HG3 G 1.29 ambi=2 { CG:24.6 } atom: 1202 107E-HA A 4.24 ambi=1 { CA:60.1 } ::sumAvg: 4.59 atom: 1202 107E-HA A 4.24 ambi=1 { CA:60.1 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } ::sumAvg: 3.39 atom: 1202 107E-HA A 4.24 ambi=1 { CA:60.1 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } ::sumAvg: 3.825 atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } ::sumAvg: 4.805 atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } ::sumAvg: 3.715 atom: 1203 107E-QB B 2.15 ambi=2 { CB:30.4 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } ::sumAvg: 3.945 atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } ::sumAvg: 3.965 atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } ::sumAvg: 4.785 atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } :: atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } ::sumAvg: 4.785 atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.355 atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } ::sumAvg: 4.245 atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } :: atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } ::sumAvg: 4.245 atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1243 110K-HD2 D 1.54 ambi=2 { CD:29.7 } :: atom: 1205 107E-HG2 G 2.42 ambi=2 { CG:39 } atom: 1244 110K-HD3 D 1.62 ambi=2 { CD:29.7 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1243 110K-HD2 D 1.54 ambi=2 { CD:29.7 } :: atom: 1206 107E-HG3 G 2.55 ambi=2 { CG:39 } atom: 1244 110K-HD3 D 1.62 ambi=2 { CD:29.7 } ::sumAvg: 4.97 atom: 1224 109Q-QB B 2.14 ambi=2 { CB:28.2 } atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } ::sumAvg: 4.68 atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } atom: 1212 108V-H N 7.84 ambi=1 { N:118.4 } ::sumAvg: 4.675 atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } atom: 1223 109Q-HA A 4 ambi=1 { CA:59.2 } ::sumAvg: 4.75 atom: 1223 109Q-HA A 4 ambi=1 { CA:59.2 } atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } ::sumAvg: 4.75 atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } atom: 1237 110K-H N 7.99 ambi=1 { N:120.4 } ::sumAvg: 4.47 atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } ::sumAvg: 4.985 atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } ::sumAvg: 4.985 atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } ::sumAvg: 4.02 atom: 1213 108V-HA A 3.42 ambi=1 { CA:67.8 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } ::sumAvg: 4.115 atom: 1214 108V-HB B 2.14 ambi=1 { CB:31.6 } atom: 1237 110K-H N 7.99 ambi=1 { N:120.4 } ::sumAvg: 4.8 atom: 1214 108V-HB B 2.14 ambi=1 { CB:31.6 } atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } :: atom: 1214 108V-HB B 2.14 ambi=1 { CB:31.6 } atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } ::sumAvg: 4.99 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.67 atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } atom: 1215 108V-HG1 G1 0.79 ambi=2 { CG1:21.3 } :: atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } atom: 1216 108V-HG2 G2 0.89 ambi=2 { CG2:23.6 } ::sumAvg: 4.725 atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } :: atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } atom: 1222 109Q-H N 8.33 ambi=1 { N:117.2 } ::sumAvg: 4.745 atom: 1223 109Q-HA A 4 ambi=1 { CA:59.2 } atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } ::sumAvg: 3.76 atom: 1224 109Q-QB B 2.14 ambi=2 { CB:28.2 } atom: 1228 109Q-HE21 E2 7.44 ambi=2 { NE2:111.9 } :: atom: 1224 109Q-QB B 2.14 ambi=2 { CB:28.2 } atom: 1229 109Q-HE22 E2 6.86 ambi=2 { NE2:111.9 } ::sumAvg: 2.795 atom: 1224 109Q-QB B 2.14 ambi=2 { CB:28.2 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } ::sumAvg: 4.835 atom: 1224 109Q-QB B 2.14 ambi=2 { CB:28.2 } atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } :: atom: 1224 109Q-QB B 2.14 ambi=2 { CB:28.2 } atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } ::sumAvg: 4.085 atom: 1224 109Q-QB B 2.14 ambi=2 { CB:28.2 } atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } ::sumAvg: 4.76 atom: 1224 109Q-QB B 2.14 ambi=2 { CB:28.2 } atom: 1286 113S-H N 8.1 ambi=1 { N:116.2 } ::sumAvg: 4.98 atom: 1226 109Q-HG2 G 2.42 ambi=2 { CG:34.1 } atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } :: atom: 1226 109Q-HG2 G 2.42 ambi=2 { CG:34.1 } atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } :: atom: 1227 109Q-HG3 G 2.5 ambi=2 { CG:34.1 } atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } :: atom: 1227 109Q-HG3 G 2.5 ambi=2 { CG:34.1 } atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } ::sumAvg: 4.66 atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } atom: 1226 109Q-HG2 G 2.42 ambi=2 { CG:34.1 } :: atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } atom: 1226 109Q-HG2 G 2.42 ambi=2 { CG:34.1 } :: atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } atom: 1227 109Q-HG3 G 2.5 ambi=2 { CG:34.1 } :: atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } atom: 1227 109Q-HG3 G 2.5 ambi=2 { CG:34.1 } ::sumAvg: 4.66 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1237 110K-H N 7.99 ambi=1 { N:120.4 } ::sumAvg: 4.845 atom: 1245 110K-QE E 2.69 ambi=2 { CE:42.1 } atom: 1238 110K-HA A 4.05 ambi=1 { CA:59.4 } ::sumAvg: 4.595 atom: 1238 110K-HA A 4.05 ambi=1 { CA:59.4 } atom: 1297 114I-HG12 G1 0.97 ambi=2 { CG1:28.7 } :: atom: 1238 110K-HA A 4.05 ambi=1 { CA:59.4 } atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } ::sumAvg: 4.6 atom: 1238 110K-HA A 4.05 ambi=1 { CA:59.4 } atom: 1300 114I-HD1 D1 0.51 ambi=1 { CD1:13.5 } ::sumAvg: 4.865 atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } atom: 1245 110K-QE E 2.69 ambi=2 { CE:42.1 } ::sumAvg: 3.385 atom: 1245 110K-QE E 2.69 ambi=2 { CE:42.1 } atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } ::sumAvg: 3.385 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } ::sumAvg: 4.075 atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } ::sumAvg: 3.765 atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } ::sumAvg: 4.36 atom: 1239 110K-QB B 2 ambi=2 { CB:32.4 } atom: 1300 114I-HD1 D1 0.51 ambi=1 { CD1:13.5 } ::sumAvg: 4.33 atom: 1241 110K-HG2 G 0.64 ambi=2 { CG:24.6 } atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } :: atom: 1242 110K-HG3 G 1.29 ambi=2 { CG:24.6 } atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } ::sumAvg: 4.665 atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } atom: 1241 110K-HG2 G 0.64 ambi=2 { CG:24.6 } :: atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } atom: 1242 110K-HG3 G 1.29 ambi=2 { CG:24.6 } ::sumAvg: 4.665 atom: 1241 110K-HG2 G 0.64 ambi=2 { CG:24.6 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } :: atom: 1242 110K-HG3 G 1.29 ambi=2 { CG:24.6 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } ::sumAvg: 4.365 atom: 1241 110K-HG2 G 0.64 ambi=2 { CG:24.6 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } :: atom: 1242 110K-HG3 G 1.29 ambi=2 { CG:24.6 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } ::sumAvg: 4.39 atom: 1241 110K-HG2 G 0.64 ambi=2 { CG:24.6 } atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } :: atom: 1242 110K-HG3 G 1.29 ambi=2 { CG:24.6 } atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } ::sumAvg: 4.54 atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } atom: 1241 110K-HG2 G 0.64 ambi=2 { CG:24.6 } :: atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } atom: 1242 110K-HG3 G 1.29 ambi=2 { CG:24.6 } ::sumAvg: 4.54 atom: 1242 110K-HG3 G 1.29 ambi=2 { CG:24.6 } atom: 1300 114I-HD1 D1 0.51 ambi=1 { CD1:13.5 } ::sumAvg: 3.655 atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } atom: 1243 110K-HD2 D 1.54 ambi=2 { CD:29.7 } :: atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } atom: 1244 110K-HD3 D 1.62 ambi=2 { CD:29.7 } ::sumAvg: 4.48 atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } :: atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } ::sumAvg: 4.635 atom: 1297 114I-HG12 G1 0.97 ambi=2 { CG1:28.7 } atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } :: atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } atom: 1254 111Y-H N 8.16 ambi=1 { N:116.7 } ::sumAvg: 4.71 atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } ::sumAvg: 4.525 atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } atom: 1295 114I-HA A 3.75 ambi=1 { CA:65.3 } ::sumAvg: 4.885 atom: 1295 114I-HA A 3.75 ambi=1 { CA:65.3 } atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } ::sumAvg: 4.885 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } ::sumAvg: 4.85 atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1255 111Y-HA A 4.28 ambi=1 { CA:62.3 } ::sumAvg: 3.4 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } ::sumAvg: 3.93 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } ::sumAvg: 4.04 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } ::sumAvg: 4.46 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } ::sumAvg: 3.645 atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 3.645 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1297 114I-HG12 G1 0.97 ambi=2 { CG1:28.7 } :: atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } ::sumAvg: 4.565 atom: 1297 114I-HG12 G1 0.97 ambi=2 { CG1:28.7 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } :: atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 4.565 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } ::sumAvg: 4.51 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 4.51 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1300 114I-HD1 D1 0.51 ambi=1 { CD1:13.5 } ::sumAvg: 3.38 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } ::sumAvg: 4.255 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1310 115V-HB B 2.19 ambi=1 { CB:31.8 } ::sumAvg: 4.31 atom: 1310 115V-HB B 2.19 ambi=1 { CB:31.8 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 4.31 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 4.165 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } ::sumAvg: 4.75 atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 4.75 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } ::sumAvg: 4.56 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 4.56 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } ::sumAvg: 4.49 atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 4.49 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } ::sumAvg: 4.8 atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } ::sumAvg: 4.8 atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } :: atom: 1256 111Y-QB B 3.08 ambi=2 { CB:38.8 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } ::sumAvg: 3.805 atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } ::sumAvg: 3.53 atom: 1297 114I-HG12 G1 0.97 ambi=2 { CG1:28.7 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } :: atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } ::sumAvg: 4.455 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } ::sumAvg: 3.675 atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } ::sumAvg: 3.85 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } ::sumAvg: 4.835 atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } ::sumAvg: 4.57 atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } atom: 1258 111Y-QD D 7.47 ambi=3 { CD1:133.1 } ::sumAvg: 3.825 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } ::sumAvg: 4.77 atom: 1417 127L-HA A 4.05 ambi=1 { CA:57.7 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } ::sumAvg: 3.83 atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } atom: 1260 111Y-QE E 6.78 ambi=3 { CE1:118.6 } ::sumAvg: 3.805 atom: 1288 113S-QB B 4.05 ambi=2 { CB:62.6 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } ::sumAvg: 4.695 atom: 1297 114I-HG12 G1 0.97 ambi=2 { CG1:28.7 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } :: atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } ::sumAvg: 4.99 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } ::sumAvg: 4.18 atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1270 112F-H N 9.71 ambi=1 { N:125 } ::sumAvg: 4.735 atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } ::sumAvg: 4.585 atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } atom: 1286 113S-H N 8.1 ambi=1 { N:116.2 } ::sumAvg: 3.525 atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } ::sumAvg: 3.52 atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } atom: 1310 115V-HB B 2.19 ambi=1 { CB:31.8 } ::sumAvg: 4.13 atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1271 112F-HA A 4.36 ambi=1 { CA:61 } ::sumAvg: 4.36 atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } :: atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } atom: 1276 112F-QE E 7.32 ambi=3 { CE1:131.4 } ::sumAvg: 4.38 atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } :: atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } ::sumAvg: 4.265 atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } :: atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } ::sumAvg: 4.265 atom: 1288 113S-QB B 4.05 ambi=2 { CB:62.6 } atom: 1272 112F-HB2 B 3.23 ambi=2 { CB:38.6 } :: atom: 1288 113S-QB B 4.05 ambi=2 { CB:62.6 } atom: 1273 112F-HB3 B 3.3 ambi=2 { CB:38.6 } ::sumAvg: 4.39 atom: 1321 116S-HB2 B 3.74 ambi=2 { CB:62.9 } atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } :: atom: 1322 116S-HB3 B 3.85 ambi=2 { CB:62.9 } atom: 1274 112F-QD D 7.14 ambi=3 { CD1:131 } ::sumAvg: 4.635 atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } atom: 1286 113S-H N 8.1 ambi=1 { N:116.2 } ::sumAvg: 4.82 atom: 1297 114I-HG12 G1 0.97 ambi=2 { CG1:28.7 } atom: 1286 113S-H N 8.1 ambi=1 { N:116.2 } :: atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } atom: 1286 113S-H N 8.1 ambi=1 { N:116.2 } ::sumAvg: 4.09 atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } atom: 1295 114I-HA A 3.75 ambi=1 { CA:65.3 } ::sumAvg: 4.775 atom: 1295 114I-HA A 3.75 ambi=1 { CA:65.3 } atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } ::sumAvg: 4.775 atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } :: atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } ::sumAvg: 4.46 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } ::sumAvg: 4.46 atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } atom: 1321 116S-HB2 B 3.74 ambi=2 { CB:62.9 } ::sumAvg: 3.325 atom: 1321 116S-HB2 B 3.74 ambi=2 { CB:62.9 } atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } ::sumAvg: 3.325 atom: 1287 113S-HA A 4.21 ambi=1 { CA:62 } atom: 1327 117S-H N 7.57 ambi=1 { N:113.2 } ::sumAvg: 4.02 atom: 1288 113S-QB B 4.05 ambi=2 { CB:62.6 } atom: 1297 114I-HG12 G1 0.97 ambi=2 { CG1:28.7 } :: atom: 1288 113S-QB B 4.05 ambi=2 { CB:62.6 } atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } ::sumAvg: 3.77 atom: 1288 113S-QB B 4.05 ambi=2 { CB:62.6 } atom: 1300 114I-HD1 D1 0.51 ambi=1 { CD1:13.5 } ::sumAvg: 4.965 atom: 1288 113S-QB B 4.05 ambi=2 { CB:62.6 } atom: 1327 117S-H N 7.57 ambi=1 { N:113.2 } ::sumAvg: 4.91 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } ::sumAvg: 3.76 atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1294 114I-H N 7.12 ambi=1 { N:122.2 } ::sumAvg: 4.565 atom: 1295 114I-HA A 3.75 ambi=1 { CA:65.3 } atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } ::sumAvg: 4.87 atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } atom: 1295 114I-HA A 3.75 ambi=1 { CA:65.3 } ::sumAvg: 4.87 atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } atom: 1295 114I-HA A 3.75 ambi=1 { CA:65.3 } ::sumAvg: 4.45 atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } atom: 1309 115V-HA A 3.92 ambi=1 { CA:64.8 } ::sumAvg: 4.25 atom: 1309 115V-HA A 3.92 ambi=1 { CA:64.8 } atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } ::sumAvg: 4.25 atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } :: atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } ::sumAvg: 4.175 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } ::sumAvg: 4.175 atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } ::sumAvg: 4.775 atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } ::sumAvg: 4.775 atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } ::sumAvg: 3.76 atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } ::sumAvg: 4.02 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1296 114I-HB B 1.98 ambi=1 { CB:38.7 } ::sumAvg: 4.02 atom: 1297 114I-HG12 G1 0.97 ambi=2 { CG1:28.7 } atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } :: atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } ::sumAvg: 4.17 atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1298 114I-HG13 G1 1.7 ambi=2 { CG1:28.7 } ::sumAvg: 4.75 atom: 1297 114I-HG12 G1 0.97 ambi=2 { CG1:28.7 } atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } ::sumAvg: 4.625 atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } atom: 1297 114I-HG12 G1 0.97 ambi=2 { CG1:28.7 } ::sumAvg: 4.625 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1309 115V-HA A 3.92 ambi=1 { CA:64.8 } ::sumAvg: 3.31 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } ::sumAvg: 4.565 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1329 117S-QB B 3.89 ambi=2 { CB:63.9 } ::sumAvg: 4.645 atom: 1329 117S-QB B 3.89 ambi=2 { CB:63.9 } atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } ::sumAvg: 4.645 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1336 118G-HA2 A 3.56 ambi=2 { CA:45.5 } :: atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } ::sumAvg: 3.995 atom: 1336 118G-HA2 A 3.56 ambi=2 { CA:45.5 } atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } :: atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } ::sumAvg: 3.995 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1341 119G-H N 8.23 ambi=1 { N:110.5 } ::sumAvg: 4.31 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } ::sumAvg: 4.78 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } ::sumAvg: 4.225 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } ::sumAvg: 3.275 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } ::sumAvg: 3.275 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } ::sumAvg: 4.855 atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } ::sumAvg: 4.855 atom: 1299 114I-HG2 G2 0.76 ambi=1 { CG2:16.8 } atom: 1410 126A-HA A 4.06 ambi=1 { CA:54.6 } ::sumAvg: 4.965 atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } atom: 1300 114I-HD1 D1 0.51 ambi=1 { CD1:13.5 } ::sumAvg: 3.94 atom: 1410 126A-HA A 4.06 ambi=1 { CA:54.6 } atom: 1300 114I-HD1 D1 0.51 ambi=1 { CD1:13.5 } ::sumAvg: 4.98 atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } ::sumAvg: 4.975 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1308 115V-H N 8.37 ambi=1 { N:120.3 } ::sumAvg: 3.745 atom: 1309 115V-HA A 3.92 ambi=1 { CA:64.8 } atom: 1327 117S-H N 7.57 ambi=1 { N:113.2 } ::sumAvg: 4.385 atom: 1309 115V-HA A 3.92 ambi=1 { CA:64.8 } atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } ::sumAvg: 4.765 atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } atom: 1309 115V-HA A 3.92 ambi=1 { CA:64.8 } ::sumAvg: 4.765 atom: 1309 115V-HA A 3.92 ambi=1 { CA:64.8 } atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } ::sumAvg: 4.965 atom: 1309 115V-HA A 3.92 ambi=1 { CA:64.8 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } ::sumAvg: 3.575 atom: 1309 115V-HA A 3.92 ambi=1 { CA:64.8 } atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } ::sumAvg: 3.67 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1309 115V-HA A 3.92 ambi=1 { CA:64.8 } ::sumAvg: 2.8 atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 1309 115V-HA A 3.92 ambi=1 { CA:64.8 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1309 115V-HA A 3.92 ambi=1 { CA:64.8 } ::sumAvg: 4.04 atom: 1310 115V-HB B 2.19 ambi=1 { CB:31.8 } atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } ::sumAvg: 4.565 atom: 1310 115V-HB B 2.19 ambi=1 { CB:31.8 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } ::sumAvg: 4.315 atom: 1310 115V-HB B 2.19 ambi=1 { CB:31.8 } atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } ::sumAvg: 4.38 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 1327 117S-H N 7.57 ambi=1 { N:113.2 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 1327 117S-H N 7.57 ambi=1 { N:113.2 } ::sumAvg: 4.485 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 1341 119G-H N 8.23 ambi=1 { N:110.5 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 1341 119G-H N 8.23 ambi=1 { N:110.5 } ::sumAvg: 3.94 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 3.605 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } ::sumAvg: 4.75 atom: 1311 115V-HG1 G1 1.11 ambi=2 { CG1:21.2 } atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } :: atom: 1312 115V-HG2 G2 1.23 ambi=2 { CG2:24.4 } atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } ::sumAvg: 4.855 atom: 1321 116S-HB2 B 3.74 ambi=2 { CB:62.9 } atom: 1328 117S-HA A 4.5 ambi=1 { CA:59.9 } :: atom: 1322 116S-HB3 B 3.85 ambi=2 { CB:62.9 } atom: 1328 117S-HA A 4.5 ambi=1 { CA:59.9 } ::sumAvg: 4.37 atom: 1336 118G-HA2 A 3.56 ambi=2 { CA:45.5 } atom: 1327 117S-H N 7.57 ambi=1 { N:113.2 } :: atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } atom: 1327 117S-H N 7.57 ambi=1 { N:113.2 } ::sumAvg: 4.895 atom: 1328 117S-HA A 4.5 ambi=1 { CA:59.9 } atom: 1336 118G-HA2 A 3.56 ambi=2 { CA:45.5 } ::sumAvg: 4.6 atom: 1336 118G-HA2 A 3.56 ambi=2 { CA:45.5 } atom: 1328 117S-HA A 4.5 ambi=1 { CA:59.9 } ::sumAvg: 4.6 atom: 1329 117S-QB B 3.89 ambi=2 { CB:63.9 } atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } ::sumAvg: 3.975 atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } atom: 1329 117S-QB B 3.89 ambi=2 { CB:63.9 } ::sumAvg: 3.975 atom: 1329 117S-QB B 3.89 ambi=2 { CB:63.9 } atom: 1341 119G-H N 8.23 ambi=1 { N:110.5 } ::sumAvg: 4.59 atom: 1329 117S-QB B 3.89 ambi=2 { CB:63.9 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } ::sumAvg: 4.975 atom: 1336 118G-HA2 A 3.56 ambi=2 { CA:45.5 } atom: 1342 119G-HA2 A 4.1 ambi=2 { CA:45 } :: atom: 1336 118G-HA2 A 3.56 ambi=2 { CA:45.5 } atom: 1343 119G-HA3 A 4.29 ambi=2 { CA:45 } :: atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } atom: 1342 119G-HA2 A 4.1 ambi=2 { CA:45 } ::sumAvg: 4.39 atom: 1342 119G-HA2 A 4.1 ambi=2 { CA:45 } atom: 1336 118G-HA2 A 3.56 ambi=2 { CA:45.5 } :: atom: 1343 119G-HA3 A 4.29 ambi=2 { CA:45 } atom: 1336 118G-HA2 A 3.56 ambi=2 { CA:45.5 } :: atom: 1342 119G-HA2 A 4.1 ambi=2 { CA:45 } atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } ::sumAvg: 4.39 atom: 1336 118G-HA2 A 3.56 ambi=2 { CA:45.5 } atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } :: atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } ::sumAvg: 4.525 atom: 1336 118G-HA2 A 3.56 ambi=2 { CA:45.5 } atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } :: atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } ::sumAvg: 4.96 atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } atom: 1336 118G-HA2 A 3.56 ambi=2 { CA:45.5 } :: atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } atom: 1337 118G-HA3 A 4.56 ambi=2 { CA:45.5 } ::sumAvg: 4.96 atom: 1343 119G-HA3 A 4.29 ambi=2 { CA:45 } atom: 1347 120L-HA A 3.8 ambi=1 { CA:58.8 } ::sumAvg: 4.285 atom: 1347 120L-HA A 3.8 ambi=1 { CA:58.8 } atom: 1343 119G-HA3 A 4.29 ambi=2 { CA:45 } ::sumAvg: 4.285 atom: 1342 119G-HA2 A 4.1 ambi=2 { CA:45 } atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } :: atom: 1342 119G-HA2 A 4.1 ambi=2 { CA:45 } atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } :: atom: 1343 119G-HA3 A 4.29 ambi=2 { CA:45 } atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } :: atom: 1343 119G-HA3 A 4.29 ambi=2 { CA:45 } atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } ::sumAvg: 4.545 atom: 1342 119G-HA2 A 4.1 ambi=2 { CA:45 } atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } :: atom: 1343 119G-HA3 A 4.29 ambi=2 { CA:45 } atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } ::sumAvg: 3.935 atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } atom: 1346 120L-H N 8.31 ambi=1 { N:120 } ::sumAvg: 4.23 atom: 1347 120L-HA A 3.8 ambi=1 { CA:58.8 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } ::sumAvg: 4.86 atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } atom: 1347 120L-HA A 3.8 ambi=1 { CA:58.8 } ::sumAvg: 4.86 atom: 1347 120L-HA A 3.8 ambi=1 { CA:58.8 } atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } ::sumAvg: 2.715 atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 4.33 atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } :: atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } ::sumAvg: 3.81 atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 1362 121P-QG G 2.16 ambi=2 { CG:28.7 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 3.81 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 4.775 atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } :: atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } :: atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } ::sumAvg: 4.85 atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 4.85 atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } atom: 1348 120L-HB2 B 1.42 ambi=2 { CB:37.6 } :: atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } :: atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } atom: 1349 120L-HB3 B -0.18 ambi=2 { CB:37.6 } ::sumAvg: 3.96 atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } ::sumAvg: 2.115 atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } ::sumAvg: 4.975 atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } ::sumAvg: 4.975 atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } atom: 1364 121P-HD2 D 3.63 ambi=2 { CD:49.9 } :: atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } atom: 1365 121P-HD3 D 3.91 ambi=2 { CD:49.9 } ::sumAvg: 4.16 atom: 1350 120L-HG G 1.18 ambi=1 { CG:27.3 } atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } ::sumAvg: 4.425 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } :: atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } ::sumAvg: 3.09 atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } atom: 1351 120L-HD1 D1 0.77 ambi=2 { CD1:22 } :: atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } atom: 1352 120L-HD2 D2 0.86 ambi=2 { CD2:25.4 } ::sumAvg: 4.645 atom: 1359 121P-HA A 3.87 ambi=1 { CA:66.8 } atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } ::sumAvg: 4.56 atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } atom: 1360 121P-HB2 B 1.92 ambi=2 { CB:30.7 } :: atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } atom: 1361 121P-HB3 B 2.19 ambi=2 { CB:30.7 } ::sumAvg: 4.01 atom: 1360 121P-HB2 B 1.92 ambi=2 { CB:30.7 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } :: atom: 1361 121P-HB3 B 2.19 ambi=2 { CB:30.7 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } ::sumAvg: 4.015 atom: 1361 121P-HB3 B 2.19 ambi=2 { CB:30.7 } atom: 1392 124V-HB B 1.73 ambi=1 { CB:31.7 } ::sumAvg: 4.82 atom: 1392 124V-HB B 1.73 ambi=1 { CB:31.7 } atom: 1361 121P-HB3 B 2.19 ambi=2 { CB:30.7 } ::sumAvg: 4.82 atom: 1364 121P-HD2 D 3.63 ambi=2 { CD:49.9 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } :: atom: 1365 121P-HD3 D 3.91 ambi=2 { CD:49.9 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } ::sumAvg: 4.375 atom: 1364 121P-HD2 D 3.63 ambi=2 { CD:49.9 } atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } :: atom: 1365 121P-HD3 D 3.91 ambi=2 { CD:49.9 } atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } ::sumAvg: 4.76 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } ::sumAvg: 4.27 atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } :: atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } atom: 1371 122A-H N 6.34 ambi=1 { N:115.6 } ::sumAvg: 4.875 atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } ::sumAvg: 3.52 atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } ::sumAvg: 4.49 atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } ::sumAvg: 4.03 atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } ::sumAvg: 4.67 atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } atom: 1372 122A-HA A 4.11 ambi=1 { CA:54.2 } ::sumAvg: 4.67 atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } ::sumAvg: 3.845 atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } atom: 1401 125D-H N 7.91 ambi=1 { N:117.4 } ::sumAvg: 4.61 atom: 1403 125D-HB2 B 2.49 ambi=2 { CB:39.4 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } :: atom: 1404 125D-HB3 B 2.58 ambi=2 { CB:39.4 } atom: 1373 122A-HB B 1.28 ambi=1 { CB:19.4 } ::sumAvg: 4.575 atom: 1392 124V-HB B 1.73 ambi=1 { CB:31.7 } atom: 1377 123L-H N 7.73 ambi=1 { N:120.6 } ::sumAvg: 4.815 atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } ::sumAvg: 4.81 atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } ::sumAvg: 4.81 atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } ::sumAvg: 2.835 atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } ::sumAvg: 4.165 atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } :: atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } ::sumAvg: 4.715 atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } :: atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } atom: 1378 123L-HA A 4 ambi=1 { CA:58.2 } ::sumAvg: 4.715 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } ::sumAvg: 4.16 atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } ::sumAvg: 4.16 atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } :: atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } ::sumAvg: 3.165 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1401 125D-H N 7.91 ambi=1 { N:117.4 } ::sumAvg: 4.77 atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } :: atom: 1379 123L-QB B 1.39 ambi=2 { CB:41.9 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } ::sumAvg: 4.34 atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } ::sumAvg: 3.625 atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } ::sumAvg: 3.625 atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } ::sumAvg: 4.605 atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } atom: 1381 123L-HG G 1.47 ambi=1 { CG:27.4 } ::sumAvg: 4.605 atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } :: atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } ::sumAvg: 4.605 atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } ::sumAvg: 3.155 atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } :: atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } ::sumAvg: 3.155 atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } :: atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } ::sumAvg: 4.84 atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } :: atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } ::sumAvg: 2.97 atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } atom: 1382 123L-HD1 D1 1.13 ambi=2 { CD1:23.8 } :: atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } atom: 1383 123L-HD2 D2 1.02 ambi=2 { CD2:25.8 } ::sumAvg: 2.97 atom: 1403 125D-HB2 B 2.49 ambi=2 { CB:39.4 } atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } :: atom: 1404 125D-HB3 B 2.58 ambi=2 { CB:39.4 } atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } ::sumAvg: 4.94 atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } atom: 1390 124V-H N 8.32 ambi=1 { N:117.1 } ::sumAvg: 4.895 atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } atom: 1402 125D-HA A 4.03 ambi=1 { CA:57.9 } ::sumAvg: 4.775 atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } ::sumAvg: 4.965 atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } ::sumAvg: 4.965 atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } :: atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } ::sumAvg: 3.025 atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } ::sumAvg: 3.865 atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } ::sumAvg: 3.865 atom: 1391 124V-HA A 3.08 ambi=1 { CA:67.5 } atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } ::sumAvg: 4.105 atom: 1392 124V-HB B 1.73 ambi=1 { CB:31.7 } atom: 1403 125D-HB2 B 2.49 ambi=2 { CB:39.4 } :: atom: 1392 124V-HB B 1.73 ambi=1 { CB:31.7 } atom: 1404 125D-HB3 B 2.58 ambi=2 { CB:39.4 } ::sumAvg: 4.37 atom: 1403 125D-HB2 B 2.49 ambi=2 { CB:39.4 } atom: 1392 124V-HB B 1.73 ambi=1 { CB:31.7 } :: atom: 1404 125D-HB3 B 2.58 ambi=2 { CB:39.4 } atom: 1392 124V-HB B 1.73 ambi=1 { CB:31.7 } ::sumAvg: 4.37 atom: 1392 124V-HB B 1.73 ambi=1 { CB:31.7 } atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } ::sumAvg: 4.975 atom: 1403 125D-HB2 B 2.49 ambi=2 { CB:39.4 } atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } :: atom: 1404 125D-HB3 B 2.58 ambi=2 { CB:39.4 } atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } :: atom: 1403 125D-HB2 B 2.49 ambi=2 { CB:39.4 } atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } :: atom: 1404 125D-HB3 B 2.58 ambi=2 { CB:39.4 } atom: 1394 124V-HG2 G2 0.59 ambi=2 { CG2:23 } ::sumAvg: 4.6 atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } atom: 1393 124V-HG1 G1 0.85 ambi=2 { CG1:22.5 } ::sumAvg: 2.39 atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } atom: 1401 125D-H N 7.91 ambi=1 { N:117.4 } ::sumAvg: 4.4 atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } atom: 1401 125D-H N 7.91 ambi=1 { N:117.4 } :: atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } atom: 1401 125D-H N 7.91 ambi=1 { N:117.4 } ::sumAvg: 4.695 atom: 1402 125D-HA A 4.03 ambi=1 { CA:57.9 } atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } ::sumAvg: 3.85 atom: 1402 125D-HA A 4.03 ambi=1 { CA:57.9 } atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } :: atom: 1402 125D-HA A 4.03 ambi=1 { CA:57.9 } atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } ::sumAvg: 4.25 atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } atom: 1402 125D-HA A 4.03 ambi=1 { CA:57.9 } :: atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } atom: 1402 125D-HA A 4.03 ambi=1 { CA:57.9 } ::sumAvg: 4.25 atom: 1403 125D-HB2 B 2.49 ambi=2 { CB:39.4 } atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } :: atom: 1404 125D-HB3 B 2.58 ambi=2 { CB:39.4 } atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } ::sumAvg: 4.515 atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } atom: 1403 125D-HB2 B 2.49 ambi=2 { CB:39.4 } :: atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } atom: 1404 125D-HB3 B 2.58 ambi=2 { CB:39.4 } ::sumAvg: 4.515 atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } :: atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } ::sumAvg: 4.9 atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } atom: 1409 126A-H N 7.75 ambi=1 { N:118.5 } ::sumAvg: 4.41 atom: 1410 126A-HA A 4.06 ambi=1 { CA:54.6 } atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } ::sumAvg: 4.58 atom: 1410 126A-HA A 4.06 ambi=1 { CA:54.6 } atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } ::sumAvg: 3.965 atom: 1410 126A-HA A 4.06 ambi=1 { CA:54.6 } atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } :: atom: 1410 126A-HA A 4.06 ambi=1 { CA:54.6 } atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } ::sumAvg: 3.725 atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } atom: 1410 126A-HA A 4.06 ambi=1 { CA:54.6 } :: atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } atom: 1410 126A-HA A 4.06 ambi=1 { CA:54.6 } ::sumAvg: 3.725 atom: 1410 126A-HA A 4.06 ambi=1 { CA:54.6 } atom: 1449 130S-H N 7.34 ambi=1 { N:117.1 } ::sumAvg: 4.735 atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } ::sumAvg: 4.52 atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } ::sumAvg: 4.63 atom: 1411 126A-HB B 1.59 ambi=1 { CB:18.9 } atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } ::sumAvg: 4.92 atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } atom: 1416 127L-H N 7.7 ambi=1 { N:116.3 } ::sumAvg: 4.9 atom: 1431 128V-HA A 2.97 ambi=1 { CA:64.9 } atom: 1417 127L-HA A 4.05 ambi=1 { CA:57.7 } ::sumAvg: 4.69 atom: 1417 127L-HA A 4.05 ambi=1 { CA:57.7 } atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } ::sumAvg: 4.435 atom: 1417 127L-HA A 4.05 ambi=1 { CA:57.7 } atom: 1449 130S-H N 7.34 ambi=1 { N:117.1 } ::sumAvg: 3.97 atom: 1417 127L-HA A 4.05 ambi=1 { CA:57.7 } atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } ::sumAvg: 3.65 atom: 1417 127L-HA A 4.05 ambi=1 { CA:57.7 } atom: 1453 130S-HG G 5.64 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.4 atom: 1417 127L-HA A 4.05 ambi=1 { CA:57.7 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } ::sumAvg: 4.405 atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } atom: 1431 128V-HA A 2.97 ambi=1 { CA:64.9 } :: atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } atom: 1431 128V-HA A 2.97 ambi=1 { CA:64.9 } ::sumAvg: 4.23 atom: 1431 128V-HA A 2.97 ambi=1 { CA:64.9 } atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } :: atom: 1431 128V-HA A 2.97 ambi=1 { CA:64.9 } atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } ::sumAvg: 4.23 atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } ::sumAvg: 4.84 atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } ::sumAvg: 4.84 atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } :: atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } ::sumAvg: 4.955 atom: 1418 127L-HB2 B 0.87 ambi=2 { CB:43.4 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } :: atom: 1419 127L-HB3 B 1.78 ambi=2 { CB:43.4 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } ::sumAvg: 4.795 atom: 1420 127L-HG G 1.58 ambi=1 { CG:26.1 } atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } ::sumAvg: 4.44 atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } :: atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } ::sumAvg: 4.24 atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } :: atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } :: atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } :: atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } ::sumAvg: 4.655 atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } :: atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } :: atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } :: atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } ::sumAvg: 4.655 atom: 1421 127L-HD1 D1 0.29 ambi=2 { CD1:26.5 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } :: atom: 1422 127L-HD2 D2 -0.35 ambi=2 { CD2:21.9 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } ::sumAvg: 4.78 atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } :: atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } atom: 1430 128V-H N 8.7 ambi=1 { N:119.7 } ::sumAvg: 4.72 atom: 1431 128V-HA A 2.97 ambi=1 { CA:64.9 } atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } ::sumAvg: 4.7 atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 1431 128V-HA A 2.97 ambi=1 { CA:64.9 } ::sumAvg: 4.7 atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } ::sumAvg: 4.31 atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } ::sumAvg: 4.31 atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } :: atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } ::sumAvg: 4.295 atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } :: atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } atom: 1432 128V-HB B 1.53 ambi=1 { CB:31.8 } ::sumAvg: 4.295 atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } :: atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } ::sumAvg: 3.545 atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } :: atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } ::sumAvg: 3.545 atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } :: atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } :: atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } :: atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } ::sumAvg: 4.47 atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } :: atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } ::sumAvg: 4.685 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1433 128V-HG1 G1 0.28 ambi=2 { CG1:22.4 } :: atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1434 128V-HG2 G2 0.55 ambi=2 { CG2:23.4 } ::sumAvg: 4.685 atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } ::sumAvg: 2.855 atom: 1450 130S-HA A 4.26 ambi=1 { CA:59.1 } atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } ::sumAvg: 4.915 atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } :: atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } atom: 1441 129D-H N 8.18 ambi=1 { N:114.3 } ::sumAvg: 4.655 atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } :: atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } ::sumAvg: 2.525 atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 1449 130S-H N 7.34 ambi=1 { N:117.1 } ::sumAvg: 3.225 atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 1450 130S-HA A 4.26 ambi=1 { CA:59.1 } ::sumAvg: 4.77 atom: 1450 130S-HA A 4.26 ambi=1 { CA:59.1 } atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } ::sumAvg: 4.77 atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } ::sumAvg: 4.405 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1442 129D-HA A 4.75 ambi=1 { CA:55 } ::sumAvg: 4.405 atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } atom: 1449 130S-H N 7.34 ambi=1 { N:117.1 } :: atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } atom: 1449 130S-H N 7.34 ambi=1 { N:117.1 } ::sumAvg: 3.48 atom: 1450 130S-HA A 4.26 ambi=1 { CA:59.1 } atom: 1443 129D-HB2 B 2.69 ambi=2 { CB:39.4 } :: atom: 1450 130S-HA A 4.26 ambi=1 { CA:59.1 } atom: 1444 129D-HB3 B 2.79 ambi=2 { CB:39.4 } ::sumAvg: 4.545 atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } atom: 1449 130S-H N 7.34 ambi=1 { N:117.1 } :: atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } atom: 1449 130S-H N 7.34 ambi=1 { N:117.1 } ::sumAvg: 4.065 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1449 130S-H N 7.34 ambi=1 { N:117.1 } ::sumAvg: 4.93 atom: 1450 130S-HA A 4.26 ambi=1 { CA:59.1 } atom: 1453 130S-HG G 5.64 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.025 atom: 1460 131Q-HB2 B 2.01 ambi=2 { CB:28.2 } atom: 1450 130S-HA A 4.26 ambi=1 { CA:59.1 } :: atom: 1461 131Q-HB3 B 2.22 ambi=2 { CB:28.2 } atom: 1450 130S-HA A 4.26 ambi=1 { CA:59.1 } ::sumAvg: 4.395 atom: 1450 130S-HA A 4.26 ambi=1 { CA:59.1 } atom: 1484 133Y-H N 7.95 ambi=1 { N:120.3 } ::sumAvg: 4.695 atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } atom: 1473 132E-H N 8.32 ambi=1 { N:118.5 } :: atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } atom: 1473 132E-H N 8.32 ambi=1 { N:118.5 } ::sumAvg: 3.525 atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } :: atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } :: atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } :: atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } ::sumAvg: 4.225 atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } :: atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } :: atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } :: atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } ::sumAvg: 4.225 atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } atom: 1477 132E-HG2 G 2.42 ambi=2 { CG:34.1 } :: atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } atom: 1478 132E-HG3 G 2.49 ambi=2 { CG:34.1 } :: atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } atom: 1477 132E-HG2 G 2.42 ambi=2 { CG:34.1 } :: atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } atom: 1478 132E-HG3 G 2.49 ambi=2 { CG:34.1 } ::sumAvg: 4.96 atom: 1477 132E-HG2 G 2.42 ambi=2 { CG:34.1 } atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } :: atom: 1478 132E-HG3 G 2.49 ambi=2 { CG:34.1 } atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } :: atom: 1477 132E-HG2 G 2.42 ambi=2 { CG:34.1 } atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } :: atom: 1478 132E-HG3 G 2.49 ambi=2 { CG:34.1 } atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } ::sumAvg: 4.96 atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } atom: 1484 133Y-H N 7.95 ambi=1 { N:120.3 } :: atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } atom: 1484 133Y-H N 7.95 ambi=1 { N:120.3 } ::sumAvg: 3.095 atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } :: atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } :: atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } :: atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } ::sumAvg: 3.57 atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } :: atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } ::sumAvg: 3.98 atom: 1451 130S-HB2 B 4.39 ambi=2 { CB:64.8 } atom: 1496 134A-H N 7.68 ambi=1 { N:122.2 } :: atom: 1452 130S-HB3 B 4.58 ambi=2 { CB:64.8 } atom: 1496 134A-H N 7.68 ambi=1 { N:122.2 } ::sumAvg: 4.44 atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } atom: 1453 130S-HG G 5.64 ambi=1 {attached_atom is not_assigned} :: atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } atom: 1453 130S-HG G 5.64 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.23 atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } atom: 1453 130S-HG G 5.64 ambi=1 {attached_atom is not_assigned} :: atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } atom: 1453 130S-HG G 5.64 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.965 atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } atom: 1458 131Q-H N 8.98 ambi=1 { N:124.6 } :: atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } atom: 1458 131Q-H N 8.98 ambi=1 { N:124.6 } ::sumAvg: 4.915 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1458 131Q-H N 8.98 ambi=1 { N:124.6 } ::sumAvg: 4.43 atom: 1459 131Q-HA A 3.97 ambi=1 { CA:57.9 } atom: 1484 133Y-H N 7.95 ambi=1 { N:120.3 } ::sumAvg: 4.44 atom: 1459 131Q-HA A 3.97 ambi=1 { CA:57.9 } atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } ::sumAvg: 3.73 atom: 1505 135D-HB2 B 2.18 ambi=2 { CB:40.5 } atom: 1459 131Q-HA A 3.97 ambi=1 { CA:57.9 } :: atom: 1506 135D-HB3 B 2.7 ambi=2 { CB:40.5 } atom: 1459 131Q-HA A 3.97 ambi=1 { CA:57.9 } ::sumAvg: 4.935 atom: 1460 131Q-HB2 B 2.01 ambi=2 { CB:28.2 } atom: 1463 131Q-HG3 G 2.47 ambi=2 { CG:33.4 } ::sumAvg: 2.365 atom: 1460 131Q-HB2 B 2.01 ambi=2 { CB:28.2 } atom: 1464 131Q-HE21 E2 8.07 ambi=1 { NE2:116.9 } :: atom: 1460 131Q-HB2 B 2.01 ambi=2 { CB:28.2 } atom: 1465 131Q-HE22 E2 6.94 ambi=1 { NE2:116.9 } :: atom: 1461 131Q-HB3 B 2.22 ambi=2 { CB:28.2 } atom: 1464 131Q-HE21 E2 8.07 ambi=1 { NE2:116.9 } :: atom: 1461 131Q-HB3 B 2.22 ambi=2 { CB:28.2 } atom: 1465 131Q-HE22 E2 6.94 ambi=1 { NE2:116.9 } ::sumAvg: 3.145 atom: 1460 131Q-HB2 B 2.01 ambi=2 { CB:28.2 } atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } :: atom: 1461 131Q-HB3 B 2.22 ambi=2 { CB:28.2 } atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } ::sumAvg: 4.25 atom: 1461 131Q-HB3 B 2.22 ambi=2 { CB:28.2 } atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } ::sumAvg: 4.875 atom: 1462 131Q-HG2 G 2.4 ambi=2 { CG:33.4 } atom: 1473 132E-H N 8.32 ambi=1 { N:118.5 } :: atom: 1463 131Q-HG3 G 2.47 ambi=2 { CG:33.4 } atom: 1473 132E-H N 8.32 ambi=1 { N:118.5 } ::sumAvg: 4.475 atom: 1505 135D-HB2 B 2.18 ambi=2 { CB:40.5 } atom: 1464 131Q-HE21 E2 8.07 ambi=1 { NE2:116.9 } :: atom: 1506 135D-HB3 B 2.7 ambi=2 { CB:40.5 } atom: 1464 131Q-HE21 E2 8.07 ambi=1 { NE2:116.9 } ::sumAvg: 4.9 atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } atom: 1473 132E-H N 8.32 ambi=1 { N:118.5 } :: atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } atom: 1473 132E-H N 8.32 ambi=1 { N:118.5 } ::sumAvg: 4.92 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1473 132E-H N 8.32 ambi=1 { N:118.5 } ::sumAvg: 4.655 atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } atom: 1477 132E-HG2 G 2.42 ambi=2 { CG:34.1 } :: atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } atom: 1478 132E-HG3 G 2.49 ambi=2 { CG:34.1 } ::sumAvg: 3.065 atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } ::sumAvg: 4.715 atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } ::sumAvg: 4.715 atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } atom: 1496 134A-H N 7.68 ambi=1 { N:122.2 } ::sumAvg: 4.485 atom: 1505 135D-HB2 B 2.18 ambi=2 { CB:40.5 } atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } :: atom: 1506 135D-HB3 B 2.7 ambi=2 { CB:40.5 } atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } ::sumAvg: 3.525 atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } atom: 1511 136Y-H N 7.65 ambi=1 { N:115.7 } ::sumAvg: 3.965 atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } :: atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } ::sumAvg: 4.82 atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } :: atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } atom: 1474 132E-HA A 4.07 ambi=1 { CA:59.7 } ::sumAvg: 4.82 atom: 1477 132E-HG2 G 2.42 ambi=2 { CG:34.1 } atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } :: atom: 1478 132E-HG3 G 2.49 ambi=2 { CG:34.1 } atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } ::sumAvg: 2.345 atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } :: atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } ::sumAvg: 4.21 atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } :: atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } ::sumAvg: 4.21 atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } :: atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } :: atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } :: atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } ::sumAvg: 4.88 atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } :: atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } :: atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } :: atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } ::sumAvg: 4.88 atom: 1475 132E-HB2 B 1.79 ambi=2 { CB:29.6 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } :: atom: 1476 132E-HB3 B 2.21 ambi=2 { CB:29.6 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } ::sumAvg: 4.525 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1484 133Y-H N 7.95 ambi=1 { N:120.3 } ::sumAvg: 4.25 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } ::sumAvg: 4.98 atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } ::sumAvg: 4.46 atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } atom: 1515 136Y-QD D 7.09 ambi=3 { CD1:133.4 } ::sumAvg: 3.685 atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } :: atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } ::sumAvg: 4.995 atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } :: atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } atom: 1485 133Y-HA A 3.63 ambi=1 { CA:62.2 } ::sumAvg: 4.995 atom: 1497 134A-HA A 4 ambi=1 { CA:55.7 } atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } :: atom: 1497 134A-HA A 4 ambi=1 { CA:55.7 } atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } ::sumAvg: 4.215 atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } :: atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } ::sumAvg: 4.1 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } :: atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } ::sumAvg: 4.1 atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } :: atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } atom: 1486 133Y-HB2 B 2.89 ambi=2 { CB:38.9 } :: atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } :: atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } atom: 1487 133Y-HB3 B 3.29 ambi=2 { CB:38.9 } ::sumAvg: 4.94 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } ::sumAvg: 4.375 atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } :: atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } atom: 1488 133Y-QD D 6.84 ambi=3 { CD1:133.6 } ::sumAvg: 4.74 atom: 1497 134A-HA A 4 ambi=1 { CA:55.7 } atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } ::sumAvg: 3.515 atom: 1497 134A-HA A 4 ambi=1 { CA:55.7 } atom: 1527 137F-H N 8.25 ambi=1 { N:119.3 } ::sumAvg: 4.26 atom: 1497 134A-HA A 4 ambi=1 { CA:55.7 } atom: 1543 139E-H N 8.64 ambi=1 { N:119.1 } ::sumAvg: 4.925 atom: 1497 134A-HA A 4 ambi=1 { CA:55.7 } atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } ::sumAvg: 4.66 atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } atom: 1497 134A-HA A 4 ambi=1 { CA:55.7 } ::sumAvg: 4.66 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1504 135D-HA A 4.16 ambi=1 { CA:56.7 } ::sumAvg: 3.78 atom: 1504 135D-HA A 4.16 ambi=1 { CA:56.7 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } ::sumAvg: 3.78 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1505 135D-HB2 B 2.18 ambi=2 { CB:40.5 } :: atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1506 135D-HB3 B 2.7 ambi=2 { CB:40.5 } ::sumAvg: 4.025 atom: 1505 135D-HB2 B 2.18 ambi=2 { CB:40.5 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } :: atom: 1506 135D-HB3 B 2.7 ambi=2 { CB:40.5 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } ::sumAvg: 4.025 atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } ::sumAvg: 4.995 atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } ::sumAvg: 4.995 atom: 1545 139E-HB2 B 2.01 ambi=2 { CB:31.4 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } :: atom: 1546 139E-HB3 B 2.34 ambi=2 { CB:31.4 } atom: 1498 134A-HB B 1.6 ambi=1 { CB:17.8 } ::sumAvg: 4.02 atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } :: atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } atom: 1503 135D-H N 8.72 ambi=1 { N:117.8 } ::sumAvg: 4.58 atom: 1504 135D-HA A 4.16 ambi=1 { CA:56.7 } atom: 1537 138G-H N 8.11 ambi=1 { N:107.6 } ::sumAvg: 4.75 atom: 1505 135D-HB2 B 2.18 ambi=2 { CB:40.5 } atom: 1512 136Y-HA A 3.85 ambi=1 { CA:61.4 } :: atom: 1506 135D-HB3 B 2.7 ambi=2 { CB:40.5 } atom: 1512 136Y-HA A 3.85 ambi=1 { CA:61.4 } ::sumAvg: 4.215 atom: 1512 136Y-HA A 3.85 ambi=1 { CA:61.4 } atom: 1505 135D-HB2 B 2.18 ambi=2 { CB:40.5 } :: atom: 1512 136Y-HA A 3.85 ambi=1 { CA:61.4 } atom: 1506 135D-HB3 B 2.7 ambi=2 { CB:40.5 } ::sumAvg: 4.215 atom: 1505 135D-HB2 B 2.18 ambi=2 { CB:40.5 } atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } :: atom: 1505 135D-HB2 B 2.18 ambi=2 { CB:40.5 } atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } :: atom: 1506 135D-HB3 B 2.7 ambi=2 { CB:40.5 } atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } :: atom: 1506 135D-HB3 B 2.7 ambi=2 { CB:40.5 } atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } ::sumAvg: 4.375 atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } atom: 1505 135D-HB2 B 2.18 ambi=2 { CB:40.5 } :: atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } atom: 1505 135D-HB2 B 2.18 ambi=2 { CB:40.5 } :: atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } atom: 1506 135D-HB3 B 2.7 ambi=2 { CB:40.5 } :: atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } atom: 1506 135D-HB3 B 2.7 ambi=2 { CB:40.5 } ::sumAvg: 4.375 atom: 1512 136Y-HA A 3.85 ambi=1 { CA:61.4 } atom: 1517 136Y-QE E 6.74 ambi=3 { CE1:118.2 } ::sumAvg: 4.615 atom: 1512 136Y-HA A 3.85 ambi=1 { CA:61.4 } atom: 1528 137F-HA A 4.93 ambi=1 { CA:55.4 } ::sumAvg: 4.585 atom: 1528 137F-HA A 4.93 ambi=1 { CA:55.4 } atom: 1512 136Y-HA A 3.85 ambi=1 { CA:61.4 } ::sumAvg: 4.585 atom: 1512 136Y-HA A 3.85 ambi=1 { CA:61.4 } atom: 1537 138G-H N 8.11 ambi=1 { N:107.6 } ::sumAvg: 4.715 atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } atom: 1517 136Y-QE E 6.74 ambi=3 { CE1:118.2 } :: atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } atom: 1517 136Y-QE E 6.74 ambi=3 { CE1:118.2 } ::sumAvg: 4.39 atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } atom: 1528 137F-HA A 4.93 ambi=1 { CA:55.4 } :: atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } atom: 1528 137F-HA A 4.93 ambi=1 { CA:55.4 } ::sumAvg: 4.225 atom: 1528 137F-HA A 4.93 ambi=1 { CA:55.4 } atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } :: atom: 1528 137F-HA A 4.93 ambi=1 { CA:55.4 } atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } ::sumAvg: 4.225 atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } :: atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } :: atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } :: atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } ::sumAvg: 4.1 atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } :: atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } :: atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } :: atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } ::sumAvg: 4.1 atom: 1513 136Y-HB2 B 1.38 ambi=2 { CB:37.2 } atom: 1537 138G-H N 8.11 ambi=1 { N:107.6 } :: atom: 1514 136Y-HB3 B 1.45 ambi=2 { CB:37.2 } atom: 1537 138G-H N 8.11 ambi=1 { N:107.6 } ::sumAvg: 4.77 atom: 1528 137F-HA A 4.93 ambi=1 { CA:55.4 } atom: 1515 136Y-QD D 7.09 ambi=3 { CD1:133.4 } ::sumAvg: 4.295 atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } atom: 1515 136Y-QD D 7.09 ambi=3 { CD1:133.4 } :: atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } atom: 1515 136Y-QD D 7.09 ambi=3 { CD1:133.4 } ::sumAvg: 4.36 atom: 1528 137F-HA A 4.93 ambi=1 { CA:55.4 } atom: 1537 138G-H N 8.11 ambi=1 { N:107.6 } ::sumAvg: 3.38 atom: 1528 137F-HA A 4.93 ambi=1 { CA:55.4 } atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } :: atom: 1528 137F-HA A 4.93 ambi=1 { CA:55.4 } atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } ::sumAvg: 4.485 atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } atom: 1528 137F-HA A 4.93 ambi=1 { CA:55.4 } :: atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } atom: 1528 137F-HA A 4.93 ambi=1 { CA:55.4 } ::sumAvg: 4.485 atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } atom: 1537 138G-H N 8.11 ambi=1 { N:107.6 } :: atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } atom: 1537 138G-H N 8.11 ambi=1 { N:107.6 } ::sumAvg: 3.48 atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } :: atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } :: atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } :: atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } ::sumAvg: 4.61 atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } :: atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } :: atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } :: atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } ::sumAvg: 4.61 atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } :: atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } ::sumAvg: 4.62 atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } :: atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } ::sumAvg: 4.62 atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } :: atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } ::sumAvg: 4.62 atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 1529 137F-HB2 B 2.14 ambi=2 { CB:39.3 } :: atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } ::sumAvg: 4.62 atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } ::sumAvg: 4.615 atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } atom: 1530 137F-HB3 B 3.22 ambi=2 { CB:39.3 } ::sumAvg: 4.615 atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } atom: 1537 138G-H N 8.11 ambi=1 { N:107.6 } ::sumAvg: 4.94 atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } atom: 1545 139E-HB2 B 2.01 ambi=2 { CB:31.4 } :: atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } atom: 1546 139E-HB3 B 2.34 ambi=2 { CB:31.4 } :: atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } atom: 1545 139E-HB2 B 2.01 ambi=2 { CB:31.4 } :: atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } atom: 1546 139E-HB3 B 2.34 ambi=2 { CB:31.4 } ::sumAvg: 4.49 atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } atom: 1547 139E-HG2 G 2.35 ambi=2 { CG:36.8 } :: atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } atom: 1548 139E-HG3 G 2.49 ambi=2 { CG:36.8 } :: atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } atom: 1547 139E-HG2 G 2.35 ambi=2 { CG:36.8 } :: atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } atom: 1548 139E-HG3 G 2.49 ambi=2 { CG:36.8 } ::sumAvg: 4.65 atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } atom: 1558 140E-HG2 G 2.26 ambi=2 { CG:36.1 } :: atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } atom: 1559 140E-HG3 G 2.39 ambi=2 { CG:36.1 } :: atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } atom: 1558 140E-HG2 G 2.26 ambi=2 { CG:36.1 } :: atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } atom: 1559 140E-HG3 G 2.39 ambi=2 { CG:36.1 } ::sumAvg: 4.355 atom: 1558 140E-HG2 G 2.26 ambi=2 { CG:36.1 } atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } :: atom: 1559 140E-HG3 G 2.39 ambi=2 { CG:36.1 } atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } :: atom: 1558 140E-HG2 G 2.26 ambi=2 { CG:36.1 } atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } :: atom: 1559 140E-HG3 G 2.39 ambi=2 { CG:36.1 } atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } ::sumAvg: 4.355 atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } :: atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } ::sumAvg: 3.66 atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } :: atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } ::sumAvg: 4.695 atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } atom: 1538 138G-HA2 A 4.06 ambi=2 { CA:46.5 } :: atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } atom: 1539 138G-HA3 A 4.11 ambi=2 { CA:46.5 } ::sumAvg: 4.695 atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } atom: 1543 139E-H N 8.64 ambi=1 { N:119.1 } :: atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } atom: 1543 139E-H N 8.64 ambi=1 { N:119.1 } ::sumAvg: 4.475 atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } atom: 1554 140E-H N 8.25 ambi=1 { N:111.2 } ::sumAvg: 3.36 atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } ::sumAvg: 4.645 atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } ::sumAvg: 4.645 atom: 1544 139E-HA A 4.44 ambi=1 { CA:58.1 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } ::sumAvg: 3.985 atom: 1545 139E-HB2 B 2.01 ambi=2 { CB:31.4 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } :: atom: 1546 139E-HB3 B 2.34 ambi=2 { CB:31.4 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } ::sumAvg: 4.665 atom: 1547 139E-HG2 G 2.35 ambi=2 { CG:36.8 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } :: atom: 1548 139E-HG3 G 2.49 ambi=2 { CG:36.8 } atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } ::sumAvg: 4.925 atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 1554 140E-H N 8.25 ambi=1 { N:111.2 } ::sumAvg: 4.915 atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } atom: 1554 140E-H N 8.25 ambi=1 { N:111.2 } ::sumAvg: 4.98 atom: 1555 140E-HA A 4.91 ambi=1 { CA:57.5 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } ::sumAvg: 3.395 atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } :: atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } ::sumAvg: 3.485 atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } :: atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } ::sumAvg: 4.295 atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 1556 140E-HB2 B 2.14 ambi=2 { CB:32.3 } :: atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 1557 140E-HB3 B 2.17 ambi=2 { CB:32.3 } ::sumAvg: 4.295 atom: 1558 140E-HG2 G 2.26 ambi=2 { CG:36.1 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } :: atom: 1559 140E-HG3 G 2.39 ambi=2 { CG:36.1 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } ::sumAvg: 3.215 atom: 1558 140E-HG2 G 2.26 ambi=2 { CG:36.1 } atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } :: atom: 1559 140E-HG3 G 2.39 ambi=2 { CG:36.1 } atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } ::sumAvg: 4.79 atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 1558 140E-HG2 G 2.26 ambi=2 { CG:36.1 } :: atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 1559 140E-HG3 G 2.39 ambi=2 { CG:36.1 } ::sumAvg: 4.79 atom: 1558 140E-HG2 G 2.26 ambi=2 { CG:36.1 } atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } :: atom: 1559 140E-HG3 G 2.39 ambi=2 { CG:36.1 } atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } ::sumAvg: 4.78 atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 1558 140E-HG2 G 2.26 ambi=2 { CG:36.1 } :: atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 1559 140E-HG3 G 2.39 ambi=2 { CG:36.1 } ::sumAvg: 4.78 atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } atom: 1565 141T-H N 7.66 ambi=1 { N:116.5 } ::sumAvg: 2.92 atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } ::sumAvg: 4.405 atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } ::sumAvg: 4.405 atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } ::sumAvg: 4.71 atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } ::sumAvg: 4.71 atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 1566 141T-HA A 4.63 ambi=1 { CA:63.8 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 3.645 atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } ::sumAvg: 2.125 atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } ::sumAvg: 3.495 atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } ::sumAvg: 4.84 atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } ::sumAvg: 4.84 atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 4.765 atom: 1567 141T-HB B 4.79 ambi=1 { CB:69.1 } atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } ::sumAvg: 4.295 atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } ::sumAvg: 4.52 atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } ::sumAvg: 4.07 atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } ::sumAvg: 4.07 atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 4.135 atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 1596 144Y-H N 5.7 ambi=1 { N:114.6 } ::sumAvg: 4.485 atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } ::sumAvg: 4.325 atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1568 141T-HG2 G2 1.59 ambi=1 { CG2:21.4 } ::sumAvg: 4.325 atom: 1589 143P-HD2 D 3.04 ambi=2 { CD:50.9 } atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } :: atom: 1590 143P-HD3 D 3.83 ambi=2 { CD:50.9 } atom: 1574 142V-H N 8.92 ambi=1 { N:128.8 } ::sumAvg: 4.57 atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } ::sumAvg: 4.45 atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } ::sumAvg: 4.45 atom: 1585 143P-HB2 B 1.17 ambi=2 { CB:31.4 } atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } :: atom: 1586 143P-HB3 B 1.26 ambi=2 { CB:31.4 } atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } ::sumAvg: 4.965 atom: 1587 143P-QG G 1.61 ambi=2 { CG:29.5 } atom: 1575 142V-HA A 3.68 ambi=1 { CA:61.2 } ::sumAvg: 3.8 atom: 1576 142V-HB B 2.29 ambi=1 { CB:32.4 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 4.695 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } ::sumAvg: 4.26 atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 4.26 atom: 1587 143P-QG G 1.61 ambi=2 { CG:29.5 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 1587 143P-QG G 1.61 ambi=2 { CG:29.5 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 3.39 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 1596 144Y-H N 5.7 ambi=1 { N:114.6 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 1596 144Y-H N 5.7 ambi=1 { N:114.6 } ::sumAvg: 4.14 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } ::sumAvg: 4.485 atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 4.485 atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } :: atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } ::sumAvg: 4.29 atom: 1577 142V-HG1 G1 0.96 ambi=2 { CG1:20.3 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } :: atom: 1578 142V-HG2 G2 1.12 ambi=2 { CG2:22.7 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 4.61 atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } atom: 1589 143P-HD2 D 3.04 ambi=2 { CD:50.9 } :: atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } atom: 1590 143P-HD3 D 3.83 ambi=2 { CD:50.9 } ::sumAvg: 3.375 atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } ::sumAvg: 4.415 atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } ::sumAvg: 4.415 atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } ::sumAvg: 4.455 atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } ::sumAvg: 4.455 atom: 1584 143P-HA A 1.97 ambi=1 { CA:63 } atom: 1612 145L-H N 8.18 ambi=1 { N:117.4 } ::sumAvg: 4.75 atom: 1587 143P-QG G 1.61 ambi=2 { CG:29.5 } atom: 1585 143P-HB2 B 1.17 ambi=2 { CB:31.4 } ::sumAvg: 2.17 atom: 1585 143P-HB2 B 1.17 ambi=2 { CB:31.4 } atom: 1596 144Y-H N 5.7 ambi=1 { N:114.6 } :: atom: 1586 143P-HB3 B 1.26 ambi=2 { CB:31.4 } atom: 1596 144Y-H N 5.7 ambi=1 { N:114.6 } ::sumAvg: 3.605 atom: 1585 143P-HB2 B 1.17 ambi=2 { CB:31.4 } atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } :: atom: 1586 143P-HB3 B 1.26 ambi=2 { CB:31.4 } atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } ::sumAvg: 4.5 atom: 1587 143P-QG G 1.61 ambi=2 { CG:29.5 } atom: 1596 144Y-H N 5.7 ambi=1 { N:114.6 } ::sumAvg: 4.66 atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1596 144Y-H N 5.7 ambi=1 { N:114.6 } ::sumAvg: 2.705 atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 3.025 atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } atom: 1617 145L-HD1 D1 0.89 ambi=2 { CD1:24.9 } :: atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } atom: 1618 145L-HD2 D2 0.82 ambi=2 { CD2:24.2 } ::sumAvg: 4.6 atom: 1617 145L-HD1 D1 0.89 ambi=2 { CD1:24.9 } atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } :: atom: 1618 145L-HD2 D2 0.82 ambi=2 { CD2:24.2 } atom: 1597 144Y-HA A 4.71 ambi=1 { CA:53.4 } ::sumAvg: 4.6 atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } ::sumAvg: 3.93 atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1613 145L-HA A 4.4 ambi=1 { CA:55.6 } ::sumAvg: 4.68 atom: 1613 145L-HA A 4.4 ambi=1 { CA:55.6 } atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } ::sumAvg: 4.68 atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1614 145L-HB2 B 1.54 ambi=2 { CB:41.8 } :: atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1615 145L-HB3 B 1.74 ambi=2 { CB:41.8 } ::sumAvg: 4.555 atom: 1614 145L-HB2 B 1.54 ambi=2 { CB:41.8 } atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } :: atom: 1615 145L-HB3 B 1.74 ambi=2 { CB:41.8 } atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } ::sumAvg: 4.555 atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1617 145L-HD1 D1 0.89 ambi=2 { CD1:24.9 } :: atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1618 145L-HD2 D2 0.82 ambi=2 { CD2:24.2 } ::sumAvg: 4.115 atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1626 146R-H N 8.98 ambi=1 { N:126.3 } ::sumAvg: 4.275 atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1628 146R-HB2 B 1.47 ambi=2 { CB:31.7 } :: atom: 1598 144Y-QB B 3.02 ambi=2 { CB:41 } atom: 1629 146R-HB3 B 2.01 ambi=2 { CB:31.7 } ::sumAvg: 4.74 atom: 1613 145L-HA A 4.4 ambi=1 { CA:55.6 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 4.95 atom: 1614 145L-HB2 B 1.54 ambi=2 { CB:41.8 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } :: atom: 1615 145L-HB3 B 1.74 ambi=2 { CB:41.8 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 4.41 atom: 1617 145L-HD1 D1 0.89 ambi=2 { CD1:24.9 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } :: atom: 1618 145L-HD2 D2 0.82 ambi=2 { CD2:24.2 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 3.925 atom: 1628 146R-HB2 B 1.47 ambi=2 { CB:31.7 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } :: atom: 1629 146R-HB3 B 2.01 ambi=2 { CB:31.7 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 3.945 atom: 1630 146R-HG2 G 1.65 ambi=2 { CG:26.2 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } :: atom: 1631 146R-HG3 G 1.72 ambi=2 { CG:26.2 } atom: 1600 144Y-QD D 7.16 ambi=3 { CD1:135.3 } ::sumAvg: 4.075 atom: 1628 146R-HB2 B 1.47 ambi=2 { CB:31.7 } atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } :: atom: 1629 146R-HB3 B 2.01 ambi=2 { CB:31.7 } atom: 1602 144Y-QE E 6.87 ambi=3 { CE1:117.2 } ::sumAvg: 4.5 atom: 1614 145L-HB2 B 1.54 ambi=2 { CB:41.8 } atom: 1612 145L-H N 8.18 ambi=1 { N:117.4 } :: atom: 1615 145L-HB3 B 1.74 ambi=2 { CB:41.8 } atom: 1612 145L-H N 8.18 ambi=1 { N:117.4 } ::sumAvg: 2.92 atom: 1616 145L-HG G 1.76 ambi=1 { CG:26.8 } atom: 1612 145L-H N 8.18 ambi=1 { N:117.4 } ::sumAvg: 3.015 atom: 1614 145L-HB2 B 1.54 ambi=2 { CB:41.8 } atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } :: atom: 1615 145L-HB3 B 1.74 ambi=2 { CB:41.8 } atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } ::sumAvg: 4.735 atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } atom: 1614 145L-HB2 B 1.54 ambi=2 { CB:41.8 } :: atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } atom: 1615 145L-HB3 B 1.74 ambi=2 { CB:41.8 } ::sumAvg: 4.735 atom: 1614 145L-HB2 B 1.54 ambi=2 { CB:41.8 } atom: 1629 146R-HB3 B 2.01 ambi=2 { CB:31.7 } ::sumAvg: 4.98 atom: 1614 145L-HB2 B 1.54 ambi=2 { CB:41.8 } atom: 1642 147G-H N 8.46 ambi=1 { N:109 } :: atom: 1615 145L-HB3 B 1.74 ambi=2 { CB:41.8 } atom: 1642 147G-H N 8.46 ambi=1 { N:109 } ::sumAvg: 4.88 atom: 1617 145L-HD1 D1 0.89 ambi=2 { CD1:24.9 } atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } :: atom: 1618 145L-HD2 D2 0.82 ambi=2 { CD2:24.2 } atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } ::sumAvg: 4.81 atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } atom: 1617 145L-HD1 D1 0.89 ambi=2 { CD1:24.9 } :: atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } atom: 1618 145L-HD2 D2 0.82 ambi=2 { CD2:24.2 } ::sumAvg: 4.81 atom: 1617 145L-HD1 D1 0.89 ambi=2 { CD1:24.9 } atom: 1642 147G-H N 8.46 ambi=1 { N:109 } :: atom: 1618 145L-HD2 D2 0.82 ambi=2 { CD2:24.2 } atom: 1642 147G-H N 8.46 ambi=1 { N:109 } ::sumAvg: 4.985 atom: 1632 146R-HD2 D 2.57 ambi=2 { CD:43.7 } atom: 1626 146R-H N 8.98 ambi=1 { N:126.3 } :: atom: 1633 146R-HD3 D 2.93 ambi=2 { CD:43.7 } atom: 1626 146R-H N 8.98 ambi=1 { N:126.3 } ::sumAvg: 3.99 atom: 1643 147G-HA2 A 3.93 ambi=2 { CA:45.2 } atom: 1626 146R-H N 8.98 ambi=1 { N:126.3 } :: atom: 1644 147G-HA3 A 4.07 ambi=2 { CA:45.2 } atom: 1626 146R-H N 8.98 ambi=1 { N:126.3 } ::sumAvg: 4.715 atom: 1630 146R-HG2 G 1.65 ambi=2 { CG:26.2 } atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } :: atom: 1631 146R-HG3 G 1.72 ambi=2 { CG:26.2 } atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } ::sumAvg: 2.98 atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } atom: 1632 146R-HD2 D 2.57 ambi=2 { CD:43.7 } :: atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } atom: 1633 146R-HD3 D 2.93 ambi=2 { CD:43.7 } ::sumAvg: 3.285 atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } atom: 1634 146R-HE E 6.4 ambi=1 { NE:82.3 } ::sumAvg: 4.415 atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } atom: 1643 147G-HA2 A 3.93 ambi=2 { CA:45.2 } ::sumAvg: 4.57 atom: 1643 147G-HA2 A 3.93 ambi=2 { CA:45.2 } atom: 1627 146R-HA A 4.46 ambi=1 { CA:56.4 } ::sumAvg: 4.57 atom: 1628 146R-HB2 B 1.47 ambi=2 { CB:31.7 } atom: 1642 147G-H N 8.46 ambi=1 { N:109 } :: atom: 1629 146R-HB3 B 2.01 ambi=2 { CB:31.7 } atom: 1642 147G-H N 8.46 ambi=1 { N:109 } ::sumAvg: 3.21 atom: 1628 146R-HB2 B 1.47 ambi=2 { CB:31.7 } atom: 1643 147G-HA2 A 3.93 ambi=2 { CA:45.2 } :: atom: 1628 146R-HB2 B 1.47 ambi=2 { CB:31.7 } atom: 1644 147G-HA3 A 4.07 ambi=2 { CA:45.2 } :: atom: 1629 146R-HB3 B 2.01 ambi=2 { CB:31.7 } atom: 1643 147G-HA2 A 3.93 ambi=2 { CA:45.2 } :: atom: 1629 146R-HB3 B 2.01 ambi=2 { CB:31.7 } atom: 1644 147G-HA3 A 4.07 ambi=2 { CA:45.2 } ::sumAvg: 4.64 atom: 1643 147G-HA2 A 3.93 ambi=2 { CA:45.2 } atom: 1628 146R-HB2 B 1.47 ambi=2 { CB:31.7 } :: atom: 1644 147G-HA3 A 4.07 ambi=2 { CA:45.2 } atom: 1628 146R-HB2 B 1.47 ambi=2 { CB:31.7 } :: atom: 1643 147G-HA2 A 3.93 ambi=2 { CA:45.2 } atom: 1629 146R-HB3 B 2.01 ambi=2 { CB:31.7 } :: atom: 1644 147G-HA3 A 4.07 ambi=2 { CA:45.2 } atom: 1629 146R-HB3 B 2.01 ambi=2 { CB:31.7 } ::sumAvg: 4.64 atom: 1630 146R-HG2 G 1.65 ambi=2 { CG:26.2 } atom: 1642 147G-H N 8.46 ambi=1 { N:109 } :: atom: 1631 146R-HG3 G 1.72 ambi=2 { CG:26.2 } atom: 1642 147G-H N 8.46 ambi=1 { N:109 } ::sumAvg: 3.365 atom: 1643 147G-HA2 A 3.93 ambi=2 { CA:45.2 } atom: 1630 146R-HG2 G 1.65 ambi=2 { CG:26.2 } :: atom: 1644 147G-HA3 A 4.07 ambi=2 { CA:45.2 } atom: 1630 146R-HG2 G 1.65 ambi=2 { CG:26.2 } :: atom: 1643 147G-HA2 A 3.93 ambi=2 { CA:45.2 } atom: 1631 146R-HG3 G 1.72 ambi=2 { CG:26.2 } :: atom: 1644 147G-HA3 A 4.07 ambi=2 { CA:45.2 } atom: 1631 146R-HG3 G 1.72 ambi=2 { CG:26.2 } ::sumAvg: 4.8 atom: 1632 146R-HD2 D 2.57 ambi=2 { CD:43.7 } atom: 1642 147G-H N 8.46 ambi=1 { N:109 } :: atom: 1633 146R-HD3 D 2.93 ambi=2 { CD:43.7 } atom: 1642 147G-H N 8.46 ambi=1 { N:109 } ::sumAvg: 4.555 atom: 1653 148L-HD1 D1 0.86 ambi=2 { CD1:25.2 } atom: 1642 147G-H N 8.46 ambi=1 { N:109 } :: atom: 1654 148L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1642 147G-H N 8.46 ambi=1 { N:109 } ::sumAvg: 4.755 atom: 1643 147G-HA2 A 3.93 ambi=2 { CA:45.2 } atom: 1653 148L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 1643 147G-HA2 A 3.93 ambi=2 { CA:45.2 } atom: 1654 148L-HD2 D2 0.8 ambi=2 { CD2:23.5 } :: atom: 1644 147G-HA3 A 4.07 ambi=2 { CA:45.2 } atom: 1653 148L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 1644 147G-HA3 A 4.07 ambi=2 { CA:45.2 } atom: 1654 148L-HD2 D2 0.8 ambi=2 { CD2:23.5 } ::sumAvg: 4.145 atom: 1649 148L-HA A 4.27 ambi=1 { CA:55.3 } atom: 1666 149E-HG2 G 2.12 ambi=2 { CG:36.2 } :: atom: 1649 148L-HA A 4.27 ambi=1 { CA:55.3 } atom: 1667 149E-HG3 G 2.19 ambi=2 { CG:36.2 } ::sumAvg: 4.95 atom: 1650 148L-HB2 B 1.5 ambi=2 { CB:42.2 } atom: 1663 149E-HA A 4.17 ambi=1 { CA:56.6 } :: atom: 1651 148L-HB3 B 1.55 ambi=2 { CB:42.2 } atom: 1663 149E-HA A 4.17 ambi=1 { CA:56.6 } ::sumAvg: 4.705 atom: 1663 149E-HA A 4.17 ambi=1 { CA:56.6 } atom: 1650 148L-HB2 B 1.5 ambi=2 { CB:42.2 } :: atom: 1663 149E-HA A 4.17 ambi=1 { CA:56.6 } atom: 1651 148L-HB3 B 1.55 ambi=2 { CB:42.2 } ::sumAvg: 4.705 atom: 1650 148L-HB2 B 1.5 ambi=2 { CB:42.2 } atom: 1666 149E-HG2 G 2.12 ambi=2 { CG:36.2 } :: atom: 1650 148L-HB2 B 1.5 ambi=2 { CB:42.2 } atom: 1667 149E-HG3 G 2.19 ambi=2 { CG:36.2 } :: atom: 1651 148L-HB3 B 1.55 ambi=2 { CB:42.2 } atom: 1666 149E-HG2 G 2.12 ambi=2 { CG:36.2 } :: atom: 1651 148L-HB3 B 1.55 ambi=2 { CB:42.2 } atom: 1667 149E-HG3 G 2.19 ambi=2 { CG:36.2 } ::sumAvg: 4.84 atom: 1666 149E-HG2 G 2.12 ambi=2 { CG:36.2 } atom: 1650 148L-HB2 B 1.5 ambi=2 { CB:42.2 } :: atom: 1667 149E-HG3 G 2.19 ambi=2 { CG:36.2 } atom: 1650 148L-HB2 B 1.5 ambi=2 { CB:42.2 } :: atom: 1666 149E-HG2 G 2.12 ambi=2 { CG:36.2 } atom: 1651 148L-HB3 B 1.55 ambi=2 { CB:42.2 } :: atom: 1667 149E-HG3 G 2.19 ambi=2 { CG:36.2 } atom: 1651 148L-HB3 B 1.55 ambi=2 { CB:42.2 } ::sumAvg: 4.84 atom: 1653 148L-HD1 D1 0.86 ambi=2 { CD1:25.2 } atom: 1663 149E-HA A 4.17 ambi=1 { CA:56.6 } :: atom: 1654 148L-HD2 D2 0.8 ambi=2 { CD2:23.5 } atom: 1663 149E-HA A 4.17 ambi=1 { CA:56.6 } ::sumAvg: 4.345 atom: 1664 149E-HB2 B 1.85 ambi=2 { CB:30.2 } atom: 1653 148L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 1665 149E-HB3 B 1.9 ambi=2 { CB:30.2 } atom: 1653 148L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 1664 149E-HB2 B 1.85 ambi=2 { CB:30.2 } atom: 1654 148L-HD2 D2 0.8 ambi=2 { CD2:23.5 } :: atom: 1665 149E-HB3 B 1.9 ambi=2 { CB:30.2 } atom: 1654 148L-HD2 D2 0.8 ambi=2 { CD2:23.5 } ::sumAvg: 4.915 atom: 1674 150H-QB B 2.97 ambi=2 { CB:30.4 } atom: 1662 149E-H N 8.55 ambi=1 { N:121.4 } ::sumAvg: 4.985 atom: 1663 149E-HA A 4.17 ambi=1 { CA:56.6 } atom: 1674 150H-QB B 2.97 ambi=2 { CB:30.4 } ::sumAvg: 4.6 atom: 1674 150H-QB B 2.97 ambi=2 { CB:30.4 } atom: 1663 149E-HA A 4.17 ambi=1 { CA:56.6 } ::sumAvg: 4.6 atom: 1663 149E-HA A 4.17 ambi=1 { CA:56.6 } atom: 1680 151H-H N 8.12 ambi=1 { N:125.4 } ::sumAvg: 4.935 atom: 1664 149E-HB2 B 1.85 ambi=2 { CB:30.2 } atom: 1673 150H-HA A 4.55 ambi=1 { CA:56 } :: atom: 1665 149E-HB3 B 1.9 ambi=2 { CB:30.2 } atom: 1673 150H-HA A 4.55 ambi=1 { CA:56 } ::sumAvg: 4.765 atom: 1673 150H-HA A 4.55 ambi=1 { CA:56 } atom: 1664 149E-HB2 B 1.85 ambi=2 { CB:30.2 } :: atom: 1673 150H-HA A 4.55 ambi=1 { CA:56 } atom: 1665 149E-HB3 B 1.9 ambi=2 { CB:30.2 } ::sumAvg: 4.765 atom: 1674 150H-QB B 2.97 ambi=2 { CB:30.4 } atom: 1664 149E-HB2 B 1.85 ambi=2 { CB:30.2 } :: atom: 1674 150H-QB B 2.97 ambi=2 { CB:30.4 } atom: 1665 149E-HB3 B 1.9 ambi=2 { CB:30.2 } ::sumAvg: 4.915 atom: 1664 149E-HB2 B 1.85 ambi=2 { CB:30.2 } atom: 1680 151H-H N 8.12 ambi=1 { N:125.4 } :: atom: 1665 149E-HB3 B 1.9 ambi=2 { CB:30.2 } atom: 1680 151H-H N 8.12 ambi=1 { N:125.4 } ::sumAvg: 4.845 atom: 1666 149E-HG2 G 2.12 ambi=2 { CG:36.2 } atom: 1672 150H-H N 8.31 ambi=1 { N:120.1 } :: atom: 1667 149E-HG3 G 2.19 ambi=2 { CG:36.2 } atom: 1672 150H-H N 8.31 ambi=1 { N:120.1 } ::sumAvg: 3.585 atom: 1666 149E-HG2 G 2.12 ambi=2 { CG:36.2 } atom: 1674 150H-QB B 2.97 ambi=2 { CB:30.4 } :: atom: 1667 149E-HG3 G 2.19 ambi=2 { CG:36.2 } atom: 1674 150H-QB B 2.97 ambi=2 { CB:30.4 } ::sumAvg: 4.95 atom: 1674 150H-QB B 2.97 ambi=2 { CB:30.4 } atom: 1666 149E-HG2 G 2.12 ambi=2 { CG:36.2 } :: atom: 1674 150H-QB B 2.97 ambi=2 { CB:30.4 } atom: 1667 149E-HG3 G 2.19 ambi=2 { CG:36.2 } ::sumAvg: 4.95 atom: 1674 150H-QB B 2.97 ambi=2 { CB:30.4 } atom: 1680 151H-H N 8.12 ambi=1 { N:125.4 } ::sumAvg: 2.92