# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 29 3K-H N 8.49 ambi=1 { N:124.2 } atom: 1 1M-HA A 4.11 ambi=1 { CA:55 } ::sumAvg: 4.905 atom: 29 3K-H N 8.49 ambi=1 { N:124.2 } atom: 2 1M-QB B 2.13 ambi=2 { CB:32.9 } ::sumAvg: 4.365 atom: 29 3K-H N 8.49 ambi=1 { N:124.2 } atom: 4 1M-QG G 2.56 ambi=2 { CG:30.8 } ::sumAvg: 4.825 atom: 46 4M-H N 8.48 ambi=1 { N:123.1 } atom: 13 2K-HA A 4.32 ambi=1 { CA:56.4 } ::sumAvg: 4.92 atom: 29 3K-H N 8.49 ambi=1 { N:124.2 } atom: 47 4M-HA A 4.42 ambi=1 { CA:55.3 } ::sumAvg: 4.955 atom: 59 5A-H N 8.34 ambi=1 { N:125.5 } atom: 31 3K-HB2 B 1.76 ambi=2 { CB:33.2 } :: atom: 59 5A-H N 8.34 ambi=1 { N:125.5 } atom: 32 3K-HB3 B 1.7 ambi=2 { CB:33.2 } ::sumAvg: 4.715 atom: 46 4M-H N 8.48 ambi=1 { N:123.1 } atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } ::sumAvg: 4.81 atom: 66 6E-H N 8.34 ambi=1 { N:120.3 } atom: 47 4M-HA A 4.42 ambi=1 { CA:55.3 } ::sumAvg: 4.925 atom: 66 6E-H N 8.34 ambi=1 { N:120.3 } atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } ::sumAvg: 4.475 atom: 77 7F-H N 8.2 ambi=1 { N:121.1 } atom: 419 35N-HD21 D2 7.63 ambi=2 { ND2:112.7 } :: atom: 77 7F-H N 8.2 ambi=1 { N:121.1 } atom: 420 35N-HD22 D2 6.71 ambi=2 { ND2:112.7 } ::sumAvg: 4.5 atom: 419 35N-HD21 D2 7.63 ambi=2 { ND2:112.7 } atom: 77 7F-H N 8.2 ambi=1 { N:121.1 } :: atom: 420 35N-HD22 D2 6.71 ambi=2 { ND2:112.7 } atom: 77 7F-H N 8.2 ambi=1 { N:121.1 } ::sumAvg: 4.5 atom: 95 8T-H N 8.31 ambi=1 { N:115.9 } atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } ::sumAvg: 4.665 atom: 389 33S-H N 8.85 ambi=1 { N:122 } atom: 106 9F-HB2 B 3.06 ambi=2 { CB:42.4 } :: atom: 389 33S-H N 8.85 ambi=1 { N:122 } atom: 107 9F-HB3 B 2.48 ambi=2 { CB:42.4 } ::sumAvg: 4.46 atom: 389 33S-H N 8.85 ambi=1 { N:122 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } ::sumAvg: 4.88 atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } ::sumAvg: 4.945 atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } ::sumAvg: 3.845 atom: 389 33S-H N 8.85 ambi=1 { N:122 } atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } ::sumAvg: 4.86 atom: 116 10E-H N 8.38 ambi=1 { N:118.6 } atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } ::sumAvg: 4.845 atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } atom: 116 10E-H N 8.38 ambi=1 { N:118.6 } ::sumAvg: 4.845 atom: 127 11I-H N 9.3 ambi=1 { N:128.3 } atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } ::sumAvg: 4.815 atom: 127 11I-H N 9.3 ambi=1 { N:128.3 } atom: 389 33S-H N 8.85 ambi=1 { N:122 } ::sumAvg: 4.94 atom: 389 33S-H N 8.85 ambi=1 { N:122 } atom: 127 11I-H N 9.3 ambi=1 { N:128.3 } ::sumAvg: 4.94 atom: 378 32V-H N 9.09 ambi=1 { N:125 } atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } ::sumAvg: 4.98 atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } :: atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } ::sumAvg: 3.89 atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } ::sumAvg: 3.19 atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 133 11I-HD1 D1 -0.44 ambi=1 { CD1:12.2 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 133 11I-HD1 D1 -0.44 ambi=1 { CD1:12.2 } ::sumAvg: 3.215 atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } :: atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } ::sumAvg: 4.71 atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } ::sumAvg: 4.275 atom: 361 31R-H N 9.01 ambi=1 { N:118 } atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } ::sumAvg: 4.275 atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } atom: 378 32V-H N 9.09 ambi=1 { N:125 } ::sumAvg: 4.695 atom: 378 32V-H N 9.09 ambi=1 { N:125 } atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } ::sumAvg: 4.695 atom: 451 39A-H N 8.76 ambi=1 { N:126 } atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } :: atom: 451 39A-H N 8.76 ambi=1 { N:126 } atom: 146 12E-HG3 G 2.1 ambi=2 { CG:34.2 } ::sumAvg: 4.965 atom: 152 13E-H N 7.42 ambi=1 { N:115.7 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 4.815 atom: 361 31R-H N 9.01 ambi=1 { N:118 } atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } ::sumAvg: 4.775 atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } :: atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } ::sumAvg: 4.7 atom: 361 31R-H N 9.01 ambi=1 { N:118 } atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } :: atom: 361 31R-H N 9.01 ambi=1 { N:118 } atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } ::sumAvg: 4.22 atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } ::sumAvg: 3.58 atom: 191 16L-H N 7.48 ambi=1 { N:115.4 } atom: 165 14H-HB2 B 3.02 ambi=2 { CB:29 } :: atom: 191 16L-H N 7.48 ambi=1 { N:115.4 } atom: 166 14H-HB3 B 2.78 ambi=2 { CB:29 } ::sumAvg: 4.825 atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 168 14H-HE1 E1 8 ambi=1 { CE1:135.7 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 168 14H-HE1 E1 8 ambi=1 { CE1:135.7 } ::sumAvg: 4.965 atom: 191 16L-H N 7.48 ambi=1 { N:115.4 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.225 atom: 191 16L-H N 7.48 ambi=1 { N:115.4 } atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } ::sumAvg: 4.92 atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } atom: 192 16L-HA A 4.37 ambi=1 { CA:54.7 } ::sumAvg: 4.715 atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } ::sumAvg: 4.455 atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } ::sumAvg: 4.455 atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } :: atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } ::sumAvg: 4.58 atom: 335 29I-H N 9.01 ambi=1 { N:117.5 } atom: 192 16L-HA A 4.37 ambi=1 { CA:54.7 } ::sumAvg: 4.875 atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } atom: 207 17T-HB B 4.15 ambi=1 { CB:69.2 } ::sumAvg: 4.16 atom: 236 20E-H N 8.35 ambi=1 { N:118.6 } atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } ::sumAvg: 4.57 atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } atom: 205 17T-H N 9.17 ambi=1 { N:125.9 } ::sumAvg: 4.455 atom: 205 17T-H N 9.17 ambi=1 { N:125.9 } atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } :: atom: 205 17T-H N 9.17 ambi=1 { N:125.9 } atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } ::sumAvg: 4.94 atom: 205 17T-H N 9.17 ambi=1 { N:125.9 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.53 atom: 228 19S-H N 7.46 ambi=1 { N:107.4 } atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } ::sumAvg: 4.355 atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } atom: 229 19S-HA A 4.55 ambi=1 { CA:57.4 } ::sumAvg: 4.785 atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } ::sumAvg: 4.455 atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 3.315 atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } atom: 335 29I-H N 9.01 ambi=1 { N:117.5 } ::sumAvg: 4.115 atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } :: atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } ::sumAvg: 4.71 atom: 236 20E-H N 8.35 ambi=1 { N:118.6 } atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } ::sumAvg: 4.87 atom: 228 19S-H N 7.46 ambi=1 { N:107.4 } atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } ::sumAvg: 4.6 atom: 228 19S-H N 7.46 ambi=1 { N:107.4 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.82 atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } atom: 229 19S-HA A 4.55 ambi=1 { CA:57.4 } ::sumAvg: 4.93 atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } atom: 230 19S-HB2 B 4.29 ambi=2 { CB:64 } :: atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } atom: 231 19S-HB3 B 3.83 ambi=2 { CB:64 } ::sumAvg: 4.87 atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } atom: 240 20E-HG2 G 2.53 ambi=2 { CG:33.8 } :: atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } atom: 241 20E-HG3 G 2.11 ambi=2 { CG:33.8 } ::sumAvg: 4.74 atom: 251 21N-HD21 D2 7.54 ambi=2 { ND2:111.1 } atom: 247 21N-H N 8.79 ambi=1 { N:124.1 } :: atom: 252 21N-HD22 D2 6.94 ambi=2 { ND2:111.1 } atom: 247 21N-H N 8.79 ambi=1 { N:124.1 } ::sumAvg: 4.08 atom: 247 21N-H N 8.79 ambi=1 { N:124.1 } atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } ::sumAvg: 4.805 atom: 247 21N-H N 8.79 ambi=1 { N:124.1 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } ::sumAvg: 4.195 atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } atom: 247 21N-H N 8.79 ambi=1 { N:124.1 } ::sumAvg: 4.195 atom: 251 21N-HD21 D2 7.54 ambi=2 { ND2:111.1 } atom: 259 22E-H N 9.07 ambi=1 { N:118.6 } :: atom: 252 21N-HD22 D2 6.94 ambi=2 { ND2:111.1 } atom: 259 22E-H N 9.07 ambi=1 { N:118.6 } ::sumAvg: 4.86 atom: 251 21N-HD21 D2 7.54 ambi=2 { ND2:111.1 } atom: 263 22E-QG G 2.42 ambi=2 { CG:35.7 } :: atom: 252 21N-HD22 D2 6.94 ambi=2 { ND2:111.1 } atom: 263 22E-QG G 2.42 ambi=2 { CG:35.7 } ::sumAvg: 4.675 atom: 251 21N-HD21 D2 7.54 ambi=2 { ND2:111.1 } atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } :: atom: 252 21N-HD22 D2 6.94 ambi=2 { ND2:111.1 } atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } ::sumAvg: 4.75 atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } :: atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } ::sumAvg: 4.975 atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } :: atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } ::sumAvg: 4.255 atom: 270 23K-H N 7.74 ambi=1 { N:117.1 } atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } :: atom: 270 23K-H N 7.74 ambi=1 { N:117.1 } atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } ::sumAvg: 4.99 atom: 270 23K-H N 7.74 ambi=1 { N:117.1 } atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } ::sumAvg: 4.305 atom: 278 24G-H N 8.23 ambi=1 { N:107.8 } atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } ::sumAvg: 4.95 atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } ::sumAvg: 4.705 atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } ::sumAvg: 4.795 atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } ::sumAvg: 4.38 atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } atom: 594 52K-HD2 D 1.85 ambi=2 { CD:29.3 } :: atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } atom: 595 52K-HD3 D 1.72 ambi=2 { CD:29.3 } ::sumAvg: 4.72 atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } atom: 596 52K-QE E 3.06 ambi=2 { CE:42.4 } ::sumAvg: 4.405 atom: 605 53M-H N 8.45 ambi=1 { N:118.1 } atom: 291 25W-HZ3 Z3 6.48 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.56 atom: 588 52K-H N 7.88 ambi=1 { N:121.6 } atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } ::sumAvg: 4.52 atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } ::sumAvg: 4.485 atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } ::sumAvg: 4.95 atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } :: atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } ::sumAvg: 4.535 atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } ::sumAvg: 4.765 atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } ::sumAvg: 4.735 atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } atom: 538 47S-H N 7.42 ambi=1 { N:116.2 } ::sumAvg: 4.86 atom: 538 47S-H N 7.42 ambi=1 { N:116.2 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } ::sumAvg: 4.86 atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 4.315 atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.79 atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } ::sumAvg: 4.64 atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } ::sumAvg: 4.865 atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } ::sumAvg: 4.865 atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } ::sumAvg: 4.65 atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 4.48 atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 4.655 atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } :: atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } ::sumAvg: 3.475 atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 3.62 atom: 529 46W-HE1 E1 10.54 ambi=1 { NE1:129.1 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.805 atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } ::sumAvg: 4.21 atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } ::sumAvg: 4.21 atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 4.905 atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.58 atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } ::sumAvg: 4.58 atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } ::sumAvg: 3.51 atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } ::sumAvg: 4.6 atom: 361 31R-H N 9.01 ambi=1 { N:118 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 361 31R-H N 9.01 ambi=1 { N:118 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } ::sumAvg: 4.6 atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } :: atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } ::sumAvg: 3.595 atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } atom: 529 46W-HE1 E1 10.54 ambi=1 { NE1:129.1 } :: atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } atom: 529 46W-HE1 E1 10.54 ambi=1 { NE1:129.1 } ::sumAvg: 4.61 atom: 529 46W-HE1 E1 10.54 ambi=1 { NE1:129.1 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 529 46W-HE1 E1 10.54 ambi=1 { NE1:129.1 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } ::sumAvg: 4.61 atom: 361 31R-H N 9.01 ambi=1 { N:118 } atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } ::sumAvg: 4.935 atom: 361 31R-H N 9.01 ambi=1 { N:118 } atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } ::sumAvg: 4.895 atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } :: atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } ::sumAvg: 2.54 atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } atom: 370 31R-HH21 H2 6.39 ambi=2 {attached_atom is not_assigned} ::sumAvg: 2.14 atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } atom: 451 39A-H N 8.76 ambi=1 { N:126 } ::sumAvg: 4.83 atom: 451 39A-H N 8.76 ambi=1 { N:126 } atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } ::sumAvg: 4.83 atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } ::sumAvg: 2.8 atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } ::sumAvg: 4.2 atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } atom: 368 31R-HD3 D 2.53 ambi=2 { CD:42.4 } :: atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } atom: 367 31R-HD2 D 2.69 ambi=2 { CD:42.4 } ::sumAvg: 2.79 atom: 451 39A-H N 8.76 ambi=1 { N:126 } atom: 370 31R-HH21 H2 6.39 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.025 atom: 696 61N-HD21 D2 7.79 ambi=2 { ND2:112.2 } atom: 370 31R-HH21 H2 6.39 ambi=2 {attached_atom is not_assigned} :: atom: 697 61N-HD22 D2 7.07 ambi=2 { ND2:112.2 } atom: 370 31R-HH21 H2 6.39 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.465 atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } ::sumAvg: 4.81 atom: 378 32V-H N 9.09 ambi=1 { N:125 } atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } ::sumAvg: 4.85 atom: 378 32V-H N 9.09 ambi=1 { N:125 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 4.305 atom: 378 32V-H N 9.09 ambi=1 { N:125 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } ::sumAvg: 4.65 atom: 378 32V-H N 9.09 ambi=1 { N:125 } atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } ::sumAvg: 4.875 atom: 389 33S-H N 8.85 ambi=1 { N:122 } atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } ::sumAvg: 4.78 atom: 389 33S-H N 8.85 ambi=1 { N:122 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } ::sumAvg: 4.74 atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } atom: 389 33S-H N 8.85 ambi=1 { N:122 } ::sumAvg: 4.74 atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 4.83 atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } atom: 433 37A-H N 7.59 ambi=1 { N:123.8 } ::sumAvg: 4.545 atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } :: atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.855 atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } ::sumAvg: 4.075 atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 4.08 atom: 419 35N-HD21 D2 7.63 ambi=2 { ND2:112.7 } atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } :: atom: 420 35N-HD22 D2 6.71 ambi=2 { ND2:112.7 } atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } ::sumAvg: 4.255 atom: 451 39A-H N 8.76 ambi=1 { N:126 } atom: 442 38P-HG2 G 2.13 ambi=2 { CG:28.2 } :: atom: 451 39A-H N 8.76 ambi=1 { N:126 } atom: 443 38P-HG3 G 1.99 ambi=2 { CG:28.2 } ::sumAvg: 3.865 atom: 451 39A-H N 8.76 ambi=1 { N:126 } atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } :: atom: 451 39A-H N 8.76 ambi=1 { N:126 } atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.465 atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } ::sumAvg: 4.84 atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } ::sumAvg: 4.53 atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } ::sumAvg: 4.78 atom: 696 61N-HD21 D2 7.79 ambi=2 { ND2:112.2 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } :: atom: 697 61N-HD22 D2 7.07 ambi=2 { ND2:112.2 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } ::sumAvg: 4.625 atom: 647 57I-H N 8.94 ambi=1 { N:117.7 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 4.84 atom: 661 58T-H N 8.26 ambi=1 { N:123.1 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 4.965 atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } :: atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } ::sumAvg: 4.92 atom: 696 61N-HD21 D2 7.79 ambi=2 { ND2:112.2 } atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } :: atom: 697 61N-HD22 D2 7.07 ambi=2 { ND2:112.2 } atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } ::sumAvg: 4.805 atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } ::sumAvg: 4.23 atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } :: atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } ::sumAvg: 4.555 atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } ::sumAvg: 4.94 atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 4.97 atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } ::sumAvg: 4.39 atom: 487 42D-H N 9.07 ambi=1 { N:124 } atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } :: atom: 487 42D-H N 9.07 ambi=1 { N:124 } atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } ::sumAvg: 4.625 atom: 487 42D-H N 9.07 ambi=1 { N:124 } atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } ::sumAvg: 4.775 atom: 487 42D-H N 9.07 ambi=1 { N:124 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } ::sumAvg: 4.785 atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } ::sumAvg: 4.955 atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } :: atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } ::sumAvg: 4.795 atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } atom: 648 57I-HA A 4.7 ambi=1 { CA:58.7 } ::sumAvg: 4.96 atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } ::sumAvg: 4.93 atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } ::sumAvg: 4.425 atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } :: atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } ::sumAvg: 4.765 atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } atom: 624 55K-H N 8.46 ambi=1 { N:121.6 } ::sumAvg: 4.45 atom: 624 55K-H N 8.46 ambi=1 { N:121.6 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } ::sumAvg: 4.45 atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } atom: 627 55K-HB3 B 1.76 ambi=2 { CB:32.8 } :: atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } atom: 626 55K-HB2 B 2 ambi=2 { CB:32.8 } ::sumAvg: 4.535 atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } :: atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } ::sumAvg: 3.56 atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.355 atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } ::sumAvg: 4.96 atom: 641 56G-H N 7.91 ambi=1 { N:110 } atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } ::sumAvg: 4.09 atom: 557 49D-H N 7.35 ambi=1 { N:111.7 } atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } :: atom: 557 49D-H N 7.35 ambi=1 { N:111.7 } atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } ::sumAvg: 4.655 atom: 538 47S-H N 7.42 ambi=1 { N:116.2 } atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } ::sumAvg: 4.405 atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } ::sumAvg: 4.935 atom: 529 46W-HE1 E1 10.54 ambi=1 { NE1:129.1 } atom: 526 46W-HB2 B 2.8 ambi=2 { CB:34.4 } :: atom: 529 46W-HE1 E1 10.54 ambi=1 { NE1:129.1 } atom: 527 46W-HB3 B 2.66 ambi=2 { CB:34.4 } ::sumAvg: 4.81 atom: 605 53M-H N 8.45 ambi=1 { N:118.1 } atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } ::sumAvg: 4.695 atom: 565 50H-H N 8.28 ambi=1 { N:111.8 } atom: 546 48P-HB2 B 2.33 ambi=2 { CB:31.5 } :: atom: 565 50H-H N 8.28 ambi=1 { N:111.8 } atom: 547 48P-HB3 B 1.8 ambi=2 { CB:31.5 } ::sumAvg: 4.785 atom: 557 49D-H N 7.35 ambi=1 { N:111.7 } atom: 548 48P-HG2 G 2.07 ambi=2 { CG:27.2 } :: atom: 557 49D-H N 7.35 ambi=1 { N:111.7 } atom: 549 48P-HG3 G 1.95 ambi=2 { CG:27.2 } ::sumAvg: 3.715 atom: 579 51T-H N 7.77 ambi=1 { N:105.6 } atom: 559 49D-HB2 B 3.05 ambi=2 { CB:40.5 } :: atom: 579 51T-H N 7.77 ambi=1 { N:105.6 } atom: 560 49D-HB3 B 2.58 ambi=2 { CB:40.5 } ::sumAvg: 4.855 atom: 565 50H-H N 8.28 ambi=1 { N:111.8 } atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } ::sumAvg: 4.71 atom: 588 52K-H N 7.88 ambi=1 { N:121.6 } atom: 566 50H-HA A 3.82 ambi=1 { CA:60.4 } ::sumAvg: 4.985 atom: 579 51T-H N 7.77 ambi=1 { N:105.6 } atom: 592 52K-QG G 1.49 ambi=2 { CG:24.9 } ::sumAvg: 4.99 atom: 624 55K-H N 8.46 ambi=1 { N:121.6 } atom: 607 53M-HB2 B 1.05 ambi=2 { CB:35.3 } :: atom: 624 55K-H N 8.46 ambi=1 { N:121.6 } atom: 608 53M-HB3 B 0.97 ambi=2 { CB:35.3 } ::sumAvg: 4.97 atom: 588 52K-H N 7.88 ambi=1 { N:121.6 } atom: 606 53M-HA A 4.4 ambi=1 { CA:53.7 } ::sumAvg: 4.78 atom: 618 54G-H N 8.33 ambi=1 { N:110.6 } atom: 590 52K-HB2 B 1.91 ambi=2 { CB:35.9 } :: atom: 618 54G-H N 8.33 ambi=1 { N:110.6 } atom: 591 52K-HB3 B 1.46 ambi=2 { CB:35.9 } ::sumAvg: 4.8 atom: 605 53M-H N 8.45 ambi=1 { N:118.1 } atom: 596 52K-QE E 3.06 ambi=2 { CE:42.4 } ::sumAvg: 4.935 atom: 605 53M-H N 8.45 ambi=1 { N:118.1 } atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } :: atom: 605 53M-H N 8.45 ambi=1 { N:118.1 } atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } ::sumAvg: 4.755 atom: 618 54G-H N 8.33 ambi=1 { N:110.6 } atom: 611 53M-HE E 1.43 ambi=1 { CE:17 } ::sumAvg: 4.515 atom: 641 56G-H N 7.91 ambi=1 { N:110 } atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } :: atom: 641 56G-H N 7.91 ambi=1 { N:110 } atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } ::sumAvg: 4.905 atom: 618 54G-H N 8.33 ambi=1 { N:110.6 } atom: 625 55K-HA A 4.24 ambi=1 { CA:56.9 } ::sumAvg: 4.725 atom: 684 60S-H N 9.63 ambi=1 { N:118.1 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } ::sumAvg: 4.475 atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } ::sumAvg: 4.84 atom: 684 60S-H N 9.63 ambi=1 { N:118.1 } atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } :: atom: 684 60S-H N 9.63 ambi=1 { N:118.1 } atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } ::sumAvg: 4.365 atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } atom: 684 60S-H N 9.63 ambi=1 { N:118.1 } ::sumAvg: 4.25 atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } ::sumAvg: 4.975 atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } :: atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } ::sumAvg: 4.895 atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } atom: 706 62E-HB2 B 2.1 ambi=2 { CB:29 } :: atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } atom: 707 62E-HB3 B 2 ambi=2 { CB:29 } ::sumAvg: 4.81 atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } atom: 708 62E-HG2 G 2.51 ambi=2 { CG:36.5 } :: atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } atom: 709 62E-HG3 G 2.34 ambi=2 { CG:36.5 } ::sumAvg: 4.915 atom: 715 63E-H N 8.07 ambi=1 { N:121.6 } atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } ::sumAvg: 4.295 atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } ::sumAvg: 4.78 atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } ::sumAvg: 4.78 atom: 715 63E-H N 8.07 ambi=1 { N:121.6 } atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } ::sumAvg: 4.66 atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } ::sumAvg: 3.71 atom: 744 65Q-H N 8.33 ambi=1 { N:117 } atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } :: atom: 744 65Q-H N 8.33 ambi=1 { N:117 } atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } ::sumAvg: 4.71 atom: 696 61N-HD21 D2 7.79 ambi=2 { ND2:112.2 } atom: 704 62E-H N 8.95 ambi=1 { N:119.4 } :: atom: 697 61N-HD22 D2 7.07 ambi=2 { ND2:112.2 } atom: 704 62E-H N 8.95 ambi=1 { N:119.4 } ::sumAvg: 4.935 atom: 704 62E-H N 8.95 ambi=1 { N:119.4 } atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } ::sumAvg: 4.77 atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } atom: 705 62E-HA A 4.08 ambi=1 { CA:60.4 } ::sumAvg: 4.52 atom: 744 65Q-H N 8.33 ambi=1 { N:117 } atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } ::sumAvg: 4.735 atom: 768 67M-H N 7.47 ambi=1 { N:121.7 } atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } ::sumAvg: 4.815 atom: 744 65Q-H N 8.33 ambi=1 { N:117 } atom: 716 63E-HA A 3.92 ambi=1 { CA:59.2 } ::sumAvg: 4.6 atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } atom: 768 67M-H N 7.47 ambi=1 { N:121.7 } ::sumAvg: 4.845 atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } ::sumAvg: 4.94 atom: 744 65Q-H N 8.33 ambi=1 { N:117 } atom: 781 68V-H N 7.79 ambi=1 { N:117.3 } ::sumAvg: 4.925 atom: 781 68V-H N 7.79 ambi=1 { N:117.3 } atom: 744 65Q-H N 8.33 ambi=1 { N:117 } ::sumAvg: 4.925 atom: 792 69D-H N 8.21 ambi=1 { N:115.9 } atom: 748 65Q-HG2 G 2.44 ambi=2 { CG:33.7 } :: atom: 792 69D-H N 8.21 ambi=1 { N:115.9 } atom: 749 65Q-HG3 G 2.38 ambi=2 { CG:33.7 } ::sumAvg: 4.675 atom: 750 65Q-HE21 E2 7.36 ambi=2 { NE2:112.5 } atom: 793 69D-HA A 4.22 ambi=1 { CA:55.6 } :: atom: 751 65Q-HE22 E2 6.91 ambi=2 { NE2:112.5 } atom: 793 69D-HA A 4.22 ambi=1 { CA:55.6 } ::sumAvg: 4.605 atom: 750 65Q-HE21 E2 7.36 ambi=2 { NE2:112.5 } atom: 792 69D-H N 8.21 ambi=1 { N:115.9 } :: atom: 751 65Q-HE22 E2 6.91 ambi=2 { NE2:112.5 } atom: 792 69D-H N 8.21 ambi=1 { N:115.9 } ::sumAvg: 4.335 atom: 781 68V-H N 7.79 ambi=1 { N:117.3 } atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } ::sumAvg: 4.945 atom: 792 69D-H N 8.21 ambi=1 { N:115.9 } atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } ::sumAvg: 4.83 atom: 848 74N-H N 8.26 ambi=1 { N:118.7 } atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } ::sumAvg: 4.645 atom: 848 74N-H N 8.26 ambi=1 { N:118.7 } atom: 809 71F-HB2 B 3.3 ambi=2 { CB:38.3 } :: atom: 848 74N-H N 8.26 ambi=1 { N:118.7 } atom: 810 71F-HB3 B 3.01 ambi=2 { CB:38.3 } ::sumAvg: 4.9 atom: 825 72K-H N 7.9 ambi=1 { N:118.3 } atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } :: atom: 825 72K-H N 7.9 ambi=1 { N:118.3 } atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } ::sumAvg: 4.85 atom: 842 73G-H N 7.73 ambi=1 { N:107 } atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } :: atom: 842 73G-H N 7.73 ambi=1 { N:107 } atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } ::sumAvg: 4.825 atom: 852 74N-HD21 D2 7.58 ambi=2 { ND2:112.8 } atom: 848 74N-H N 8.26 ambi=1 { N:118.7 } :: atom: 853 74N-HD22 D2 6.93 ambi=2 { ND2:112.8 } atom: 848 74N-H N 8.26 ambi=1 { N:118.7 } ::sumAvg: 4.44 atom: 852 74N-HD21 D2 7.58 ambi=2 { ND2:112.8 } atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } :: atom: 853 74N-HD22 D2 6.93 ambi=2 { ND2:112.8 } atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } ::sumAvg: 4.905 atom: 852 74N-HD21 D2 7.58 ambi=2 { ND2:112.8 } atom: 864 75L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 852 74N-HD21 D2 7.58 ambi=2 { ND2:112.8 } atom: 865 75L-HD2 D2 0.78 ambi=2 { CD2:24.1 } :: atom: 853 74N-HD22 D2 6.93 ambi=2 { ND2:112.8 } atom: 864 75L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 853 74N-HD22 D2 6.93 ambi=2 { ND2:112.8 } atom: 865 75L-HD2 D2 0.78 ambi=2 { CD2:24.1 } ::sumAvg: 4.86 atom: 893 78H-H N 8.52 ambi=1 { N:119.1 } atom: 875 76E-QB B 1.87 ambi=2 { CB:29.9 } ::sumAvg: 4.58 atom: 893 78H-H N 8.52 ambi=1 { N:119.1 } atom: 877 76E-HG2 G 2.22 ambi=2 { CG:35.3 } :: atom: 893 78H-H N 8.52 ambi=1 { N:119.1 } atom: 878 76E-HG3 G 2.14 ambi=2 { CG:35.3 } ::sumAvg: 4.49 atom: 917 81H-H N 8.56 ambi=1 { N:120.8 } atom: 926 82H-HA A 4.41 ambi=1 { CA:57.1 } ::sumAvg: 4.66 # Missing interactons for c_aro.peaks atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } ::sumAvg: 4.965 atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } atom: 67 6E-HA A 4.22 ambi=1 { CA:56.4 } ::sumAvg: 4.725 atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } atom: 68 6E-HB2 B 1.96 ambi=2 { CB:30.2 } :: atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } atom: 69 6E-HB3 B 1.86 ambi=2 { CB:30.2 } ::sumAvg: 4.565 atom: 83 7F-QE E 7.32 ambi=3 { CE1:131.4 } atom: 78 7F-HA A 5.06 ambi=1 { CA:57.1 } ::sumAvg: 4.885 atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } ::sumAvg: 4.945 atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } ::sumAvg: 4.905 atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } ::sumAvg: 4.475 atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } atom: 416 35N-HA A 4.42 ambi=1 { CA:54.1 } ::sumAvg: 4.975 atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } atom: 420 35N-HD22 D2 6.71 ambi=2 { ND2:112.7 } ::sumAvg: 3.64 atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } atom: 95 8T-H N 8.31 ambi=1 { N:115.9 } ::sumAvg: 4.665 atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } ::sumAvg: 3.695 atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } ::sumAvg: 4.77 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 106 9F-HB2 B 3.06 ambi=2 { CB:42.4 } :: atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 107 9F-HB3 B 2.48 ambi=2 { CB:42.4 } ::sumAvg: 3.55 atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } ::sumAvg: 2.79 atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } ::sumAvg: 4.565 atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } atom: 116 10E-H N 8.38 ambi=1 { N:118.6 } ::sumAvg: 3.615 atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } :: atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } ::sumAvg: 4.94 atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } :: atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } ::sumAvg: 2.77 atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } ::sumAvg: 3.49 atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 3.705 atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } ::sumAvg: 3.845 atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } atom: 116 10E-H N 8.38 ambi=1 { N:118.6 } ::sumAvg: 4.6 atom: 167 14H-HD2 D2 7.1 ambi=1 { CD2:120.5 } atom: 163 14H-H N 9.27 ambi=1 { N:126.9 } ::sumAvg: 4.175 atom: 167 14H-HD2 D2 7.1 ambi=1 { CD2:120.5 } atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } ::sumAvg: 4.06 atom: 167 14H-HD2 D2 7.1 ambi=1 { CD2:120.5 } atom: 168 14H-HE1 E1 8 ambi=1 { CE1:135.7 } ::sumAvg: 4.24 atom: 168 14H-HE1 E1 8 ambi=1 { CE1:135.7 } atom: 167 14H-HD2 D2 7.1 ambi=1 { CD2:120.5 } ::sumAvg: 4.24 atom: 168 14H-HE1 E1 8 ambi=1 { CE1:135.7 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 3.98 atom: 168 14H-HE1 E1 8 ambi=1 { CE1:135.7 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 168 14H-HE1 E1 8 ambi=1 { CE1:135.7 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } ::sumAvg: 4.965 atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } :: atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } ::sumAvg: 4.515 atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } ::sumAvg: 3.56 atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } ::sumAvg: 4.985 atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } ::sumAvg: 4.41 atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 182 15L-HD1 D1 0.78 ambi=2 { CD1:25.4 } :: atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 183 15L-HD2 D2 0.82 ambi=2 { CD2:25 } ::sumAvg: 4.76 atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } :: atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } ::sumAvg: 2.985 atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } atom: 270 23K-H N 7.74 ambi=1 { N:117.1 } ::sumAvg: 4.305 atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } atom: 278 24G-H N 8.23 ambi=1 { N:107.8 } ::sumAvg: 4.285 atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } :: atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } ::sumAvg: 4.18 atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } ::sumAvg: 3.125 atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } :: atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } ::sumAvg: 4.675 atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } :: atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } ::sumAvg: 3.52 atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } ::sumAvg: 4.975 atom: 290 25W-HZ2 Z2 7.38 ambi=1 { CZ2:114.5 } atom: 291 25W-HZ3 Z3 6.48 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.295 atom: 290 25W-HZ2 Z2 7.38 ambi=1 { CZ2:114.5 } atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } :: atom: 290 25W-HZ2 Z2 7.38 ambi=1 { CZ2:114.5 } atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } ::sumAvg: 4.67 atom: 290 25W-HZ2 Z2 7.38 ambi=1 { CZ2:114.5 } atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } :: atom: 290 25W-HZ2 Z2 7.38 ambi=1 { CZ2:114.5 } atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } ::sumAvg: 4.72 atom: 290 25W-HZ2 Z2 7.38 ambi=1 { CZ2:114.5 } atom: 596 52K-QE E 3.06 ambi=2 { CE:42.4 } ::sumAvg: 3.66 atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } atom: 607 53M-HB2 B 1.05 ambi=2 { CB:35.3 } :: atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } atom: 608 53M-HB3 B 0.97 ambi=2 { CB:35.3 } ::sumAvg: 4.51 atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } atom: 588 52K-H N 7.88 ambi=1 { N:121.6 } ::sumAvg: 4.52 atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } atom: 589 52K-HA A 4.72 ambi=1 { CA:54.7 } ::sumAvg: 4.61 atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } atom: 594 52K-HD2 D 1.85 ambi=2 { CD:29.3 } :: atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } atom: 595 52K-HD3 D 1.72 ambi=2 { CD:29.3 } ::sumAvg: 3.585 atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } atom: 596 52K-QE E 3.06 ambi=2 { CE:42.4 } ::sumAvg: 4.37 atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } atom: 605 53M-H N 8.45 ambi=1 { N:118.1 } ::sumAvg: 3.635 atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } :: atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } ::sumAvg: 4.945 atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } ::sumAvg: 4.15 atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 4.05 atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } :: atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } ::sumAvg: 4.41 atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 4.165 atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } ::sumAvg: 4.87 atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } ::sumAvg: 4.755 atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 338 29I-HG12 G1 1.73 ambi=2 { CG1:27.3 } :: atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 339 29I-HG13 G1 1.25 ambi=2 { CG1:27.3 } ::sumAvg: 4.555 atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } ::sumAvg: 3.59 atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } ::sumAvg: 4.265 atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } :: atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } ::sumAvg: 2.86 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } ::sumAvg: 4.895 atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } ::sumAvg: 4.185 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } ::sumAvg: 2.59 atom: 405 34F-HZ Z 7.14 ambi=1 { CZ:129.8 } atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } ::sumAvg: 3.18 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 378 32V-H N 9.09 ambi=1 { N:125 } ::sumAvg: 4.305 atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } :: atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } ::sumAvg: 2.99 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } :: atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } ::sumAvg: 2.565 atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } ::sumAvg: 3.795 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } ::sumAvg: 4.91 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 399 34F-HB2 B 3.02 ambi=2 { CB:40.2 } :: atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 400 34F-HB3 B 2.85 ambi=2 { CB:40.2 } ::sumAvg: 4.405 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } ::sumAvg: 4.83 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } ::sumAvg: 4.425 atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } ::sumAvg: 4.18 atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } :: atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } ::sumAvg: 4.01 atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } ::sumAvg: 4.075 atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } :: atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.45 atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } ::sumAvg: 4.815 atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } ::sumAvg: 3.8 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } :: atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } ::sumAvg: 3.62 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } ::sumAvg: 4.08 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } :: atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } ::sumAvg: 4.02 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } :: atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.795 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } ::sumAvg: 4.98 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 663 58T-HB B 3.78 ambi=1 { CB:70.3 } ::sumAvg: 4.405 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } ::sumAvg: 2.6 atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } ::sumAvg: 4.885 atom: 405 34F-HZ Z 7.14 ambi=1 { CZ:129.8 } atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } :: atom: 405 34F-HZ Z 7.14 ambi=1 { CZ:129.8 } atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } ::sumAvg: 4.79 atom: 405 34F-HZ Z 7.14 ambi=1 { CZ:129.8 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 4.975 atom: 405 34F-HZ Z 7.14 ambi=1 { CZ:129.8 } atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } :: atom: 405 34F-HZ Z 7.14 ambi=1 { CZ:129.8 } atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } ::sumAvg: 3.645 atom: 405 34F-HZ Z 7.14 ambi=1 { CZ:129.8 } atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } ::sumAvg: 4.82 atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } :: atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } ::sumAvg: 4.615 atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } ::sumAvg: 4.07 atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 3.13 atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 2.89 atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 3.84 atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } :: atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } ::sumAvg: 4.405 atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } ::sumAvg: 4.245 atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } :: atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } ::sumAvg: 4.24 atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } ::sumAvg: 2.79 atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } ::sumAvg: 4.39 atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 487 42D-H N 9.07 ambi=1 { N:124 } ::sumAvg: 4.785 atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } ::sumAvg: 4.425 atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } :: atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } ::sumAvg: 4.58 atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } :: atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } ::sumAvg: 3.79 atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } ::sumAvg: 2.915 atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } ::sumAvg: 4.72 atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.96 atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } :: atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } ::sumAvg: 3.925 atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } ::sumAvg: 3.395 atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } ::sumAvg: 4.725 atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } ::sumAvg: 2.915 atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } ::sumAvg: 4.105 atom: 530 46W-HZ2 Z2 7.23 ambi=1 { CZ2:112.9 } atom: 529 46W-HE1 E1 10.54 ambi=1 { NE1:129.1 } ::sumAvg: 2.79 atom: 569 50H-HD2 D2 5.94 ambi=1 { CD2:117.8 } atom: 565 50H-H N 8.28 ambi=1 { N:111.8 } ::sumAvg: 4.72 atom: 570 50H-HE1 E1 8.15 ambi=1 { CE1:136.1 } atom: 567 50H-HB2 B 3.3 ambi=2 { CB:25.6 } :: atom: 570 50H-HE1 E1 8.15 ambi=1 { CE1:136.1 } atom: 568 50H-HB3 B 3.13 ambi=2 { CB:25.6 } ::sumAvg: 4.74 atom: 569 50H-HD2 D2 5.94 ambi=1 { CD2:117.8 } atom: 570 50H-HE1 E1 8.15 ambi=1 { CE1:136.1 } ::sumAvg: 4.24 atom: 570 50H-HE1 E1 8.15 ambi=1 { CE1:136.1 } atom: 569 50H-HD2 D2 5.94 ambi=1 { CD2:117.8 } ::sumAvg: 4.24 atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } ::sumAvg: 4.84 atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } :: atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } ::sumAvg: 2.64 atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } :: atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } ::sumAvg: 4.06 atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } ::sumAvg: 4.58 atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } ::sumAvg: 4.445 atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } ::sumAvg: 3.92 atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } ::sumAvg: 3.595 atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } ::sumAvg: 4.4 atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 744 65Q-H N 8.33 ambi=1 { N:117 } ::sumAvg: 3.93 atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 745 65Q-HA A 3.64 ambi=1 { CA:58.3 } ::sumAvg: 4.285 atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } :: atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } ::sumAvg: 4.97 atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } :: atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } ::sumAvg: 3.585 atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } :: atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } ::sumAvg: 3.945 atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } ::sumAvg: 3.465 atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } atom: 781 68V-H N 7.79 ambi=1 { N:117.3 } ::sumAvg: 4.945 atom: 815 71F-HZ Z 6.9 ambi=1 { CZ:128.6 } atom: 769 67M-HA A 3.34 ambi=1 { CA:59.7 } ::sumAvg: 4.98 atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } :: atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } ::sumAvg: 4.25 atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } atom: 825 72K-H N 7.9 ambi=1 { N:118.3 } ::sumAvg: 4.565 atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } atom: 848 74N-H N 8.26 ambi=1 { N:118.7 } ::sumAvg: 4.645 atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } ::sumAvg: 3.735 atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } atom: 859 75L-H N 8.35 ambi=1 { N:122.3 } ::sumAvg: 4.795 atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } atom: 807 71F-H N 7.65 ambi=1 { N:116.2 } ::sumAvg: 3.1 atom: 813 71F-QE E 7 ambi=3 { CE1:130.5 } atom: 807 71F-H N 7.65 ambi=1 { N:116.2 } ::sumAvg: 4.73 atom: 813 71F-QE E 7 ambi=3 { CE1:130.5 } atom: 808 71F-HA A 4.62 ambi=1 { CA:57.8 } ::sumAvg: 4.22 atom: 813 71F-QE E 7 ambi=3 { CE1:130.5 } atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } ::sumAvg: 4.965 # Missing interactons for c_ali.peaks atom: 2 1M-QB B 2.13 ambi=2 { CB:32.9 } atom: 1 1M-HA A 4.11 ambi=1 { CA:55 } ::sumAvg: 2.355 atom: 1 1M-HA A 4.11 ambi=1 { CA:55 } atom: 4 1M-QG G 2.56 ambi=2 { CG:30.8 } ::sumAvg: 2.655 atom: 4 1M-QG G 2.56 ambi=2 { CG:30.8 } atom: 1 1M-HA A 4.11 ambi=1 { CA:55 } ::sumAvg: 2.655 atom: 6 1M-HE E 2.08 ambi=1 { CE:16.8 } atom: 1 1M-HA A 4.11 ambi=1 { CA:55 } ::sumAvg: 3.795 atom: 1 1M-HA A 4.11 ambi=1 { CA:55 } atom: 16 2K-QG G 1.38 ambi=2 { CG:24.7 } ::sumAvg: 4.995 atom: 1 1M-HA A 4.11 ambi=1 { CA:55 } atom: 29 3K-H N 8.49 ambi=1 { N:124.2 } ::sumAvg: 4.905 atom: 2 1M-QB B 2.13 ambi=2 { CB:32.9 } atom: 4 1M-QG G 2.56 ambi=2 { CG:30.8 } ::sumAvg: 2.045 atom: 4 1M-QG G 2.56 ambi=2 { CG:30.8 } atom: 2 1M-QB B 2.13 ambi=2 { CB:32.9 } ::sumAvg: 2.045 atom: 2 1M-QB B 2.13 ambi=2 { CB:32.9 } atom: 12 2K-H N 8.69 ambi=1 { N:125 } ::sumAvg: 2.96 atom: 2 1M-QB B 2.13 ambi=2 { CB:32.9 } atom: 13 2K-HA A 4.32 ambi=1 { CA:56.4 } ::sumAvg: 4.19 atom: 13 2K-HA A 4.32 ambi=1 { CA:56.4 } atom: 2 1M-QB B 2.13 ambi=2 { CB:32.9 } ::sumAvg: 4.19 atom: 2 1M-QB B 2.13 ambi=2 { CB:32.9 } atom: 15 2K-HB3 B 1.7 ambi=2 { CB:33.2 } ::sumAvg: 4.465 atom: 15 2K-HB3 B 1.7 ambi=2 { CB:33.2 } atom: 2 1M-QB B 2.13 ambi=2 { CB:32.9 } ::sumAvg: 4.465 atom: 2 1M-QB B 2.13 ambi=2 { CB:32.9 } atom: 16 2K-QG G 1.38 ambi=2 { CG:24.7 } ::sumAvg: 4.185 atom: 16 2K-QG G 1.38 ambi=2 { CG:24.7 } atom: 2 1M-QB B 2.13 ambi=2 { CB:32.9 } ::sumAvg: 4.185 atom: 2 1M-QB B 2.13 ambi=2 { CB:32.9 } atom: 29 3K-H N 8.49 ambi=1 { N:124.2 } ::sumAvg: 4.365 atom: 4 1M-QG G 2.56 ambi=2 { CG:30.8 } atom: 6 1M-HE E 2.08 ambi=1 { CE:16.8 } ::sumAvg: 2.32 atom: 4 1M-QG G 2.56 ambi=2 { CG:30.8 } atom: 12 2K-H N 8.69 ambi=1 { N:125 } ::sumAvg: 3.78 atom: 4 1M-QG G 2.56 ambi=2 { CG:30.8 } atom: 13 2K-HA A 4.32 ambi=1 { CA:56.4 } ::sumAvg: 4.735 atom: 13 2K-HA A 4.32 ambi=1 { CA:56.4 } atom: 4 1M-QG G 2.56 ambi=2 { CG:30.8 } ::sumAvg: 4.735 atom: 4 1M-QG G 2.56 ambi=2 { CG:30.8 } atom: 16 2K-QG G 1.38 ambi=2 { CG:24.7 } ::sumAvg: 4.585 atom: 16 2K-QG G 1.38 ambi=2 { CG:24.7 } atom: 4 1M-QG G 2.56 ambi=2 { CG:30.8 } ::sumAvg: 4.585 atom: 4 1M-QG G 2.56 ambi=2 { CG:30.8 } atom: 29 3K-H N 8.49 ambi=1 { N:124.2 } ::sumAvg: 4.825 atom: 6 1M-HE E 2.08 ambi=1 { CE:16.8 } atom: 12 2K-H N 8.69 ambi=1 { N:125 } ::sumAvg: 4.245 atom: 6 1M-HE E 2.08 ambi=1 { CE:16.8 } atom: 16 2K-QG G 1.38 ambi=2 { CG:24.7 } ::sumAvg: 4.63 atom: 16 2K-QG G 1.38 ambi=2 { CG:24.7 } atom: 6 1M-HE E 2.08 ambi=1 { CE:16.8 } ::sumAvg: 4.63 atom: 16 2K-QG G 1.38 ambi=2 { CG:24.7 } atom: 12 2K-H N 8.69 ambi=1 { N:125 } ::sumAvg: 3.215 atom: 18 2K-QD D 1.64 ambi=2 { CD:29.2 } atom: 12 2K-H N 8.69 ambi=1 { N:125 } ::sumAvg: 4.25 atom: 13 2K-HA A 4.32 ambi=1 { CA:56.4 } atom: 18 2K-QD D 1.64 ambi=2 { CD:29.2 } ::sumAvg: 3.195 atom: 13 2K-HA A 4.32 ambi=1 { CA:56.4 } atom: 20 2K-QE E 2.95 ambi=2 { CE:42.2 } ::sumAvg: 4.795 atom: 20 2K-QE E 2.95 ambi=2 { CE:42.2 } atom: 13 2K-HA A 4.32 ambi=1 { CA:56.4 } ::sumAvg: 4.795 atom: 18 2K-QD D 1.64 ambi=2 { CD:29.2 } atom: 29 3K-H N 8.49 ambi=1 { N:124.2 } ::sumAvg: 4.715 atom: 35 3K-QD D 1.64 ambi=2 { CD:29.2 } atom: 29 3K-H N 8.49 ambi=1 { N:124.2 } ::sumAvg: 4.395 atom: 30 3K-HA A 4.25 ambi=1 { CA:56.4 } atom: 37 3K-QE E 2.95 ambi=2 { CE:42.2 } ::sumAvg: 4.535 atom: 33 3K-QG G 1.38 ambi=2 { CG:24.7 } atom: 47 4M-HA A 4.42 ambi=1 { CA:55.3 } ::sumAvg: 4.915 atom: 33 3K-QG G 1.38 ambi=2 { CG:24.7 } atom: 48 4M-HB2 B 2.04 ambi=2 { CB:33 } :: atom: 33 3K-QG G 1.38 ambi=2 { CG:24.7 } atom: 49 4M-HB3 B 1.96 ambi=2 { CB:33 } ::sumAvg: 4.85 atom: 48 4M-HB2 B 2.04 ambi=2 { CB:33 } atom: 33 3K-QG G 1.38 ambi=2 { CG:24.7 } :: atom: 49 4M-HB3 B 1.96 ambi=2 { CB:33 } atom: 33 3K-QG G 1.38 ambi=2 { CG:24.7 } ::sumAvg: 4.85 atom: 52 4M-HE E 2.05 ambi=1 { CE:17 } atom: 46 4M-H N 8.48 ambi=1 { N:123.1 } ::sumAvg: 4.55 atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } atom: 46 4M-H N 8.48 ambi=1 { N:123.1 } ::sumAvg: 4.81 atom: 52 4M-HE E 2.05 ambi=1 { CE:17 } atom: 47 4M-HA A 4.42 ambi=1 { CA:55.3 } ::sumAvg: 3.725 atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } atom: 47 4M-HA A 4.42 ambi=1 { CA:55.3 } ::sumAvg: 4.37 atom: 48 4M-HB2 B 2.04 ambi=2 { CB:33 } atom: 50 4M-HG2 G 2.58 ambi=2 { CG:32.1 } :: atom: 48 4M-HB2 B 2.04 ambi=2 { CB:33 } atom: 51 4M-HG3 G 2.51 ambi=2 { CG:32.1 } :: atom: 49 4M-HB3 B 1.96 ambi=2 { CB:33 } atom: 50 4M-HG2 G 2.58 ambi=2 { CG:32.1 } :: atom: 49 4M-HB3 B 1.96 ambi=2 { CB:33 } atom: 51 4M-HG3 G 2.51 ambi=2 { CG:32.1 } ::sumAvg: 2.42 atom: 48 4M-HB2 B 2.04 ambi=2 { CB:33 } atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } :: atom: 49 4M-HB3 B 1.96 ambi=2 { CB:33 } atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } ::sumAvg: 4.52 atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } atom: 48 4M-HB2 B 2.04 ambi=2 { CB:33 } :: atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } atom: 49 4M-HB3 B 1.96 ambi=2 { CB:33 } ::sumAvg: 4.52 atom: 50 4M-HG2 G 2.58 ambi=2 { CG:32.1 } atom: 59 5A-H N 8.34 ambi=1 { N:125.5 } :: atom: 51 4M-HG3 G 2.51 ambi=2 { CG:32.1 } atom: 59 5A-H N 8.34 ambi=1 { N:125.5 } ::sumAvg: 3.915 atom: 52 4M-HE E 2.05 ambi=1 { CE:17 } atom: 59 5A-H N 8.34 ambi=1 { N:125.5 } ::sumAvg: 4.585 atom: 60 5A-HA A 4.25 ambi=1 { CA:52.5 } atom: 77 7F-H N 8.2 ambi=1 { N:121.1 } ::sumAvg: 4.88 atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } atom: 68 6E-HB2 B 1.96 ambi=2 { CB:30.2 } :: atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } atom: 69 6E-HB3 B 1.86 ambi=2 { CB:30.2 } ::sumAvg: 4.615 atom: 68 6E-HB2 B 1.96 ambi=2 { CB:30.2 } atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } :: atom: 69 6E-HB3 B 1.86 ambi=2 { CB:30.2 } atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } ::sumAvg: 4.615 atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } atom: 70 6E-HG2 G 2.22 ambi=2 { CG:35.4 } :: atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } atom: 71 6E-HG3 G 2.15 ambi=2 { CG:35.4 } ::sumAvg: 4.605 atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } atom: 77 7F-H N 8.2 ambi=1 { N:121.1 } ::sumAvg: 4.715 atom: 61 5A-HB B 1.33 ambi=1 { CB:19.4 } atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } ::sumAvg: 4.965 atom: 67 6E-HA A 4.22 ambi=1 { CA:56.4 } atom: 78 7F-HA A 5.06 ambi=1 { CA:57.1 } ::sumAvg: 4.45 atom: 78 7F-HA A 5.06 ambi=1 { CA:57.1 } atom: 67 6E-HA A 4.22 ambi=1 { CA:56.4 } ::sumAvg: 4.45 atom: 68 6E-HB2 B 1.96 ambi=2 { CB:30.2 } atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } :: atom: 69 6E-HB3 B 1.86 ambi=2 { CB:30.2 } atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } ::sumAvg: 4.565 atom: 78 7F-HA A 5.06 ambi=1 { CA:57.1 } atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } ::sumAvg: 4.435 atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } atom: 78 7F-HA A 5.06 ambi=1 { CA:57.1 } ::sumAvg: 4.435 atom: 417 35N-HB2 B 3.08 ambi=2 { CB:37.6 } atom: 78 7F-HA A 5.06 ambi=1 { CA:57.1 } :: atom: 418 35N-HB3 B 2.75 ambi=2 { CB:37.6 } atom: 78 7F-HA A 5.06 ambi=1 { CA:57.1 } ::sumAvg: 4.915 atom: 79 7F-HB2 B 3.15 ambi=2 { CB:40.4 } atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } :: atom: 80 7F-HB3 B 3.1 ambi=2 { CB:40.4 } atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } ::sumAvg: 4.705 atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } atom: 79 7F-HB2 B 3.15 ambi=2 { CB:40.4 } :: atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } atom: 80 7F-HB3 B 3.1 ambi=2 { CB:40.4 } ::sumAvg: 4.705 atom: 79 7F-HB2 B 3.15 ambi=2 { CB:40.4 } atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } :: atom: 80 7F-HB3 B 3.1 ambi=2 { CB:40.4 } atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } ::sumAvg: 4.52 atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } atom: 79 7F-HB2 B 3.15 ambi=2 { CB:40.4 } :: atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } atom: 80 7F-HB3 B 3.1 ambi=2 { CB:40.4 } ::sumAvg: 4.52 atom: 79 7F-HB2 B 3.15 ambi=2 { CB:40.4 } atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } :: atom: 80 7F-HB3 B 3.1 ambi=2 { CB:40.4 } atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } ::sumAvg: 4.785 atom: 79 7F-HB2 B 3.15 ambi=2 { CB:40.4 } atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } :: atom: 80 7F-HB3 B 3.1 ambi=2 { CB:40.4 } atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } ::sumAvg: 3.935 atom: 79 7F-HB2 B 3.15 ambi=2 { CB:40.4 } atom: 416 35N-HA A 4.42 ambi=1 { CA:54.1 } :: atom: 80 7F-HB3 B 3.1 ambi=2 { CB:40.4 } atom: 416 35N-HA A 4.42 ambi=1 { CA:54.1 } ::sumAvg: 4.51 atom: 79 7F-HB2 B 3.15 ambi=2 { CB:40.4 } atom: 418 35N-HB3 B 2.75 ambi=2 { CB:37.6 } ::sumAvg: 4.2 atom: 418 35N-HB3 B 2.75 ambi=2 { CB:37.6 } atom: 79 7F-HB2 B 3.15 ambi=2 { CB:40.4 } ::sumAvg: 4.2 atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } ::sumAvg: 4.945 atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } ::sumAvg: 4.905 atom: 416 35N-HA A 4.42 ambi=1 { CA:54.1 } atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } ::sumAvg: 4.975 atom: 417 35N-HB2 B 3.08 ambi=2 { CB:37.6 } atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } :: atom: 418 35N-HB3 B 2.75 ambi=2 { CB:37.6 } atom: 81 7F-QD D 7.32 ambi=3 { CD1:132.2 } ::sumAvg: 4.355 atom: 417 35N-HB2 B 3.08 ambi=2 { CB:37.6 } atom: 95 8T-H N 8.31 ambi=1 { N:115.9 } :: atom: 418 35N-HB3 B 2.75 ambi=2 { CB:37.6 } atom: 95 8T-H N 8.31 ambi=1 { N:115.9 } ::sumAvg: 3.61 atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } atom: 106 9F-HB2 B 3.06 ambi=2 { CB:42.4 } :: atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } atom: 107 9F-HB3 B 2.48 ambi=2 { CB:42.4 } ::sumAvg: 4.455 atom: 106 9F-HB2 B 3.06 ambi=2 { CB:42.4 } atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } :: atom: 107 9F-HB3 B 2.48 ambi=2 { CB:42.4 } atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } ::sumAvg: 4.455 atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } ::sumAvg: 4.39 atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } atom: 96 8T-HA A 4.55 ambi=1 { CA:60.8 } ::sumAvg: 4.39 atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } ::sumAvg: 4.385 atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } ::sumAvg: 4.385 atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } ::sumAvg: 4.77 atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } atom: 417 35N-HB2 B 3.08 ambi=2 { CB:37.6 } :: atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } atom: 418 35N-HB3 B 2.75 ambi=2 { CB:37.6 } ::sumAvg: 4.775 atom: 417 35N-HB2 B 3.08 ambi=2 { CB:37.6 } atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } :: atom: 418 35N-HB3 B 2.75 ambi=2 { CB:37.6 } atom: 98 8T-HG2 G2 1.13 ambi=1 { CG2:21.3 } ::sumAvg: 4.775 atom: 106 9F-HB2 B 3.06 ambi=2 { CB:42.4 } atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } :: atom: 107 9F-HB3 B 2.48 ambi=2 { CB:42.4 } atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } ::sumAvg: 4.47 atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } atom: 106 9F-HB2 B 3.06 ambi=2 { CB:42.4 } :: atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } atom: 107 9F-HB3 B 2.48 ambi=2 { CB:42.4 } ::sumAvg: 4.47 atom: 106 9F-HB2 B 3.06 ambi=2 { CB:42.4 } atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } :: atom: 107 9F-HB3 B 2.48 ambi=2 { CB:42.4 } atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } ::sumAvg: 4.515 atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } atom: 106 9F-HB2 B 3.06 ambi=2 { CB:42.4 } :: atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } atom: 107 9F-HB3 B 2.48 ambi=2 { CB:42.4 } ::sumAvg: 4.515 atom: 106 9F-HB2 B 3.06 ambi=2 { CB:42.4 } atom: 389 33S-H N 8.85 ambi=1 { N:122 } :: atom: 107 9F-HB3 B 2.48 ambi=2 { CB:42.4 } atom: 389 33S-H N 8.85 ambi=1 { N:122 } ::sumAvg: 4.46 atom: 107 9F-HB3 B 2.48 ambi=2 { CB:42.4 } atom: 399 34F-HB2 B 3.02 ambi=2 { CB:40.2 } ::sumAvg: 4.83 atom: 399 34F-HB2 B 3.02 ambi=2 { CB:40.2 } atom: 107 9F-HB3 B 2.48 ambi=2 { CB:42.4 } ::sumAvg: 4.83 atom: 106 9F-HB2 B 3.06 ambi=2 { CB:42.4 } atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } :: atom: 107 9F-HB3 B 2.48 ambi=2 { CB:42.4 } atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } ::sumAvg: 3.295 atom: 106 9F-HB2 B 3.06 ambi=2 { CB:42.4 } atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } :: atom: 107 9F-HB3 B 2.48 ambi=2 { CB:42.4 } atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } ::sumAvg: 4.355 atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } atom: 104 9F-H N 7.9 ambi=1 { N:117.9 } ::sumAvg: 4.86 atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } ::sumAvg: 4.425 atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } ::sumAvg: 4.425 atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } atom: 118 10E-HB2 B 1.82 ambi=2 { CB:32.8 } :: atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } atom: 119 10E-HB3 B 1.77 ambi=2 { CB:32.8 } ::sumAvg: 4.365 atom: 118 10E-HB2 B 1.82 ambi=2 { CB:32.8 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } :: atom: 119 10E-HB3 B 1.77 ambi=2 { CB:32.8 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } ::sumAvg: 4.365 atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } atom: 120 10E-HG2 G 2.07 ambi=2 { CG:34.5 } :: atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } atom: 121 10E-HG3 G 1.92 ambi=2 { CG:34.5 } ::sumAvg: 4.945 atom: 120 10E-HG2 G 2.07 ambi=2 { CG:34.5 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } :: atom: 121 10E-HG3 G 1.92 ambi=2 { CG:34.5 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } ::sumAvg: 4.945 atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } atom: 391 33S-HB2 B 3.67 ambi=2 { CB:64 } :: atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } atom: 392 33S-HB3 B 3.57 ambi=2 { CB:64 } ::sumAvg: 4.93 atom: 391 33S-HB2 B 3.67 ambi=2 { CB:64 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } :: atom: 392 33S-HB3 B 3.57 ambi=2 { CB:64 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } ::sumAvg: 4.93 atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } atom: 389 33S-H N 8.85 ambi=1 { N:122 } ::sumAvg: 4.88 atom: 399 34F-HB2 B 3.02 ambi=2 { CB:40.2 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } :: atom: 400 34F-HB3 B 2.85 ambi=2 { CB:40.2 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } ::sumAvg: 4.88 atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } ::sumAvg: 4.945 atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } atom: 416 35N-HA A 4.42 ambi=1 { CA:54.1 } ::sumAvg: 4.655 atom: 416 35N-HA A 4.42 ambi=1 { CA:54.1 } atom: 105 9F-HA A 5.54 ambi=1 { CA:55.6 } ::sumAvg: 4.655 atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } :: atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } ::sumAvg: 4.94 atom: 399 34F-HB2 B 3.02 ambi=2 { CB:40.2 } atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } :: atom: 400 34F-HB3 B 2.85 ambi=2 { CB:40.2 } atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } ::sumAvg: 4.76 atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } atom: 108 9F-QD D 6.95 ambi=3 { CD1:132.4 } ::sumAvg: 3.49 atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } ::sumAvg: 4.335 atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } ::sumAvg: 4.335 atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } atom: 129 11I-HB B 1.45 ambi=1 { CB:36.9 } ::sumAvg: 4.61 atom: 129 11I-HB B 1.45 ambi=1 { CB:36.9 } atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } ::sumAvg: 4.61 atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } :: atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } ::sumAvg: 3.705 atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } atom: 133 11I-HD1 D1 -0.44 ambi=1 { CD1:12.2 } ::sumAvg: 4.935 atom: 133 11I-HD1 D1 -0.44 ambi=1 { CD1:12.2 } atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } ::sumAvg: 4.935 atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } :: atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } ::sumAvg: 3.675 atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } ::sumAvg: 3.675 atom: 117 10E-HA A 4.33 ambi=1 { CA:55.2 } atom: 389 33S-H N 8.85 ambi=1 { N:122 } ::sumAvg: 4.86 atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } atom: 118 10E-HB2 B 1.82 ambi=2 { CB:32.8 } :: atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } atom: 119 10E-HB3 B 1.77 ambi=2 { CB:32.8 } ::sumAvg: 4.99 atom: 119 10E-HB3 B 1.77 ambi=2 { CB:32.8 } atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } ::sumAvg: 4.375 atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } atom: 119 10E-HB3 B 1.77 ambi=2 { CB:32.8 } ::sumAvg: 4.375 atom: 118 10E-HB2 B 1.82 ambi=2 { CB:32.8 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } :: atom: 118 10E-HB2 B 1.82 ambi=2 { CB:32.8 } atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } :: atom: 119 10E-HB3 B 1.77 ambi=2 { CB:32.8 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } :: atom: 119 10E-HB3 B 1.77 ambi=2 { CB:32.8 } atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } ::sumAvg: 4.57 atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 118 10E-HB2 B 1.82 ambi=2 { CB:32.8 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 118 10E-HB2 B 1.82 ambi=2 { CB:32.8 } :: atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 119 10E-HB3 B 1.77 ambi=2 { CB:32.8 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 119 10E-HB3 B 1.77 ambi=2 { CB:32.8 } ::sumAvg: 4.57 atom: 118 10E-HB2 B 1.82 ambi=2 { CB:32.8 } atom: 389 33S-H N 8.85 ambi=1 { N:122 } :: atom: 119 10E-HB3 B 1.77 ambi=2 { CB:32.8 } atom: 389 33S-H N 8.85 ambi=1 { N:122 } ::sumAvg: 3.995 atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } atom: 116 10E-H N 8.38 ambi=1 { N:118.6 } ::sumAvg: 4.72 atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } atom: 116 10E-H N 8.38 ambi=1 { N:118.6 } ::sumAvg: 4.52 atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 116 10E-H N 8.38 ambi=1 { N:118.6 } ::sumAvg: 4.745 atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } atom: 127 11I-H N 9.3 ambi=1 { N:128.3 } ::sumAvg: 4.815 atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } atom: 142 12E-HA A 4.24 ambi=1 { CA:56.8 } ::sumAvg: 4.345 atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } ::sumAvg: 4.335 atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } :: atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } atom: 146 12E-HG3 G 2.1 ambi=2 { CG:34.2 } ::sumAvg: 3.82 atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } :: atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } ::sumAvg: 4.79 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } ::sumAvg: 4.79 atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } ::sumAvg: 4.695 atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } ::sumAvg: 4.695 atom: 128 11I-HA A 3.72 ambi=1 { CA:63.1 } atom: 378 32V-H N 9.09 ambi=1 { N:125 } ::sumAvg: 4.98 atom: 129 11I-HB B 1.45 ambi=1 { CB:36.9 } atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } ::sumAvg: 4.205 atom: 129 11I-HB B 1.45 ambi=1 { CB:36.9 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } :: atom: 129 11I-HB B 1.45 ambi=1 { CB:36.9 } atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } ::sumAvg: 4.35 atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } :: atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } ::sumAvg: 4.325 atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } :: atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } :: atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } :: atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } ::sumAvg: 4.07 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } :: atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } ::sumAvg: 4.07 atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } :: atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } ::sumAvg: 3.89 atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } :: atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } ::sumAvg: 4.06 atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } atom: 130 11I-HG12 G1 1.3 ambi=2 { CG1:28.9 } :: atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } atom: 131 11I-HG13 G1 0.22 ambi=2 { CG1:28.9 } ::sumAvg: 4.06 atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } ::sumAvg: 4.175 atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } ::sumAvg: 4.175 atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } :: atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } atom: 146 12E-HG3 G 2.1 ambi=2 { CG:34.2 } ::sumAvg: 4.855 atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } :: atom: 146 12E-HG3 G 2.1 ambi=2 { CG:34.2 } atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } ::sumAvg: 4.855 atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } ::sumAvg: 3.91 atom: 165 14H-HB2 B 3.02 ambi=2 { CB:29 } atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } :: atom: 166 14H-HB3 B 2.78 ambi=2 { CB:29 } atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } ::sumAvg: 4.245 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } ::sumAvg: 2.595 atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 132 11I-HG2 G2 0.33 ambi=1 { CG2:16.8 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } ::sumAvg: 3.19 atom: 133 11I-HD1 D1 -0.44 ambi=1 { CD1:12.2 } atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } :: atom: 133 11I-HD1 D1 -0.44 ambi=1 { CD1:12.2 } atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } ::sumAvg: 4.23 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 133 11I-HD1 D1 -0.44 ambi=1 { CD1:12.2 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 133 11I-HD1 D1 -0.44 ambi=1 { CD1:12.2 } ::sumAvg: 4.23 atom: 133 11I-HD1 D1 -0.44 ambi=1 { CD1:12.2 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 133 11I-HD1 D1 -0.44 ambi=1 { CD1:12.2 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } ::sumAvg: 3.215 atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } ::sumAvg: 4.815 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } ::sumAvg: 4.15 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 141 12E-H N 8.44 ambi=1 { N:129.6 } ::sumAvg: 4.71 atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } ::sumAvg: 4.215 atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } ::sumAvg: 4.215 atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } :: atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } ::sumAvg: 4.235 atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } :: atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } ::sumAvg: 4.235 atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 4.98 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } ::sumAvg: 4.98 atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } ::sumAvg: 4.65 atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } atom: 368 31R-HD3 D 2.53 ambi=2 { CD:42.4 } :: atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } atom: 367 31R-HD2 D 2.69 ambi=2 { CD:42.4 } ::sumAvg: 4.525 atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } atom: 378 32V-H N 9.09 ambi=1 { N:125 } ::sumAvg: 4.905 atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } atom: 391 33S-HB2 B 3.67 ambi=2 { CB:64 } :: atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } atom: 392 33S-HB3 B 3.57 ambi=2 { CB:64 } ::sumAvg: 4.585 atom: 391 33S-HB2 B 3.67 ambi=2 { CB:64 } atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } :: atom: 392 33S-HB3 B 3.57 ambi=2 { CB:64 } atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } ::sumAvg: 4.585 atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } atom: 389 33S-H N 8.85 ambi=1 { N:122 } ::sumAvg: 4.39 atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } ::sumAvg: 4.685 atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } atom: 143 12E-QB B 1.37 ambi=2 { CB:29.7 } ::sumAvg: 4.685 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } :: atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 146 12E-HG3 G 2.1 ambi=2 { CG:34.2 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 146 12E-HG3 G 2.1 ambi=2 { CG:34.2 } ::sumAvg: 4.795 atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } :: atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } atom: 146 12E-HG3 G 2.1 ambi=2 { CG:34.2 } ::sumAvg: 3.34 atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } :: atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 146 12E-HG3 G 2.1 ambi=2 { CG:34.2 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 146 12E-HG3 G 2.1 ambi=2 { CG:34.2 } ::sumAvg: 4.43 atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } :: atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 146 12E-HG3 G 2.1 ambi=2 { CG:34.2 } ::sumAvg: 4.31 atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } :: atom: 146 12E-HG3 G 2.1 ambi=2 { CG:34.2 } atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } ::sumAvg: 4.03 atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } atom: 145 12E-HG2 G 2.17 ambi=2 { CG:34.2 } :: atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } atom: 146 12E-HG3 G 2.1 ambi=2 { CG:34.2 } ::sumAvg: 4.03 atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } atom: 152 13E-H N 7.42 ambi=1 { N:115.7 } ::sumAvg: 4.63 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 152 13E-H N 7.42 ambi=1 { N:115.7 } ::sumAvg: 4.815 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 152 13E-H N 7.42 ambi=1 { N:115.7 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 152 13E-H N 7.42 ambi=1 { N:115.7 } ::sumAvg: 4.165 atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 152 13E-H N 7.42 ambi=1 { N:115.7 } :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 152 13E-H N 7.42 ambi=1 { N:115.7 } ::sumAvg: 4.93 atom: 368 31R-HD3 D 2.53 ambi=2 { CD:42.4 } atom: 152 13E-H N 7.42 ambi=1 { N:115.7 } :: atom: 367 31R-HD2 D 2.69 ambi=2 { CD:42.4 } atom: 152 13E-H N 7.42 ambi=1 { N:115.7 } ::sumAvg: 4.955 atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } atom: 152 13E-H N 7.42 ambi=1 { N:115.7 } ::sumAvg: 4.545 atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } atom: 152 13E-H N 7.42 ambi=1 { N:115.7 } ::sumAvg: 4.46 atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } ::sumAvg: 4.365 atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } ::sumAvg: 4.365 atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } atom: 165 14H-HB2 B 3.02 ambi=2 { CB:29 } :: atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } atom: 166 14H-HB3 B 2.78 ambi=2 { CB:29 } ::sumAvg: 4.6 atom: 165 14H-HB2 B 3.02 ambi=2 { CB:29 } atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } :: atom: 166 14H-HB3 B 2.78 ambi=2 { CB:29 } atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } ::sumAvg: 4.6 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } ::sumAvg: 4.765 atom: 153 13E-HA A 4.29 ambi=1 { CA:55.6 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } ::sumAvg: 4.775 atom: 154 13E-HB2 B 1.83 ambi=2 { CB:33.7 } atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } :: atom: 155 13E-HB3 B 1.56 ambi=2 { CB:33.7 } atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } ::sumAvg: 4.92 atom: 154 13E-HB2 B 1.83 ambi=2 { CB:33.7 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } :: atom: 155 13E-HB3 B 1.56 ambi=2 { CB:33.7 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } ::sumAvg: 4.245 atom: 154 13E-HB2 B 1.83 ambi=2 { CB:33.7 } atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } :: atom: 154 13E-HB2 B 1.83 ambi=2 { CB:33.7 } atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } :: atom: 155 13E-HB3 B 1.56 ambi=2 { CB:33.7 } atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } :: atom: 155 13E-HB3 B 1.56 ambi=2 { CB:33.7 } atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } ::sumAvg: 4.515 atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 154 13E-HB2 B 1.83 ambi=2 { CB:33.7 } :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 154 13E-HB2 B 1.83 ambi=2 { CB:33.7 } :: atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 155 13E-HB3 B 1.56 ambi=2 { CB:33.7 } :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 155 13E-HB3 B 1.56 ambi=2 { CB:33.7 } ::sumAvg: 4.515 atom: 154 13E-HB2 B 1.83 ambi=2 { CB:33.7 } atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } :: atom: 155 13E-HB3 B 1.56 ambi=2 { CB:33.7 } atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } ::sumAvg: 4.895 atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } :: atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } ::sumAvg: 4.17 atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } :: atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } ::sumAvg: 4.17 atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } :: atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } ::sumAvg: 4.255 atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } :: atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } ::sumAvg: 4.255 atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } :: atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } ::sumAvg: 4.45 atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } :: atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } :: atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } :: atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } ::sumAvg: 3.64 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } :: atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } ::sumAvg: 3.64 atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } :: atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } ::sumAvg: 4.22 atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } :: atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } :: atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } :: atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } ::sumAvg: 4.835 atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } :: atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } ::sumAvg: 4.835 atom: 367 31R-HD2 D 2.69 ambi=2 { CD:42.4 } atom: 156 13E-HG2 G 2.23 ambi=2 { CG:35.4 } :: atom: 368 31R-HD3 D 2.53 ambi=2 { CD:42.4 } atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } :: atom: 367 31R-HD2 D 2.69 ambi=2 { CD:42.4 } atom: 157 13E-HG3 G 1.93 ambi=2 { CG:35.4 } ::sumAvg: 3.765 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 163 14H-H N 9.27 ambi=1 { N:126.9 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 163 14H-H N 9.27 ambi=1 { N:126.9 } ::sumAvg: 4.84 atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } atom: 167 14H-HD2 D2 7.1 ambi=1 { CD2:120.5 } ::sumAvg: 4.06 atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } ::sumAvg: 4.35 atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } ::sumAvg: 4.35 atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } :: atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } ::sumAvg: 4.47 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } ::sumAvg: 2.715 atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } ::sumAvg: 3.58 atom: 164 14H-HA A 6.01 ambi=1 { CA:53.7 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } ::sumAvg: 3.43 atom: 165 14H-HB2 B 3.02 ambi=2 { CB:29 } atom: 168 14H-HE1 E1 8 ambi=1 { CE1:135.7 } :: atom: 166 14H-HB3 B 2.78 ambi=2 { CB:29 } atom: 168 14H-HE1 E1 8 ambi=1 { CE1:135.7 } ::sumAvg: 4.735 atom: 165 14H-HB2 B 3.02 ambi=2 { CB:29 } atom: 191 16L-H N 7.48 ambi=1 { N:115.4 } :: atom: 166 14H-HB3 B 2.78 ambi=2 { CB:29 } atom: 191 16L-H N 7.48 ambi=1 { N:115.4 } ::sumAvg: 4.825 atom: 165 14H-HB2 B 3.02 ambi=2 { CB:29 } atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } :: atom: 166 14H-HB3 B 2.78 ambi=2 { CB:29 } atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } ::sumAvg: 3.59 atom: 165 14H-HB2 B 3.02 ambi=2 { CB:29 } atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } :: atom: 166 14H-HB3 B 2.78 ambi=2 { CB:29 } atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } ::sumAvg: 4.91 atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } atom: 165 14H-HB2 B 3.02 ambi=2 { CB:29 } :: atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } atom: 166 14H-HB3 B 2.78 ambi=2 { CB:29 } ::sumAvg: 4.91 atom: 165 14H-HB2 B 3.02 ambi=2 { CB:29 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 165 14H-HB2 B 3.02 ambi=2 { CB:29 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } :: atom: 166 14H-HB3 B 2.78 ambi=2 { CB:29 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 166 14H-HB3 B 2.78 ambi=2 { CB:29 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } ::sumAvg: 4.245 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 168 14H-HE1 E1 8 ambi=1 { CE1:135.7 } ::sumAvg: 3.98 atom: 195 16L-HG G 1.26 ambi=1 { CG:27.2 } atom: 191 16L-H N 7.48 ambi=1 { N:115.4 } ::sumAvg: 3.44 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 191 16L-H N 7.48 ambi=1 { N:115.4 } ::sumAvg: 4.685 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 191 16L-H N 7.48 ambi=1 { N:115.4 } ::sumAvg: 4.225 atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 191 16L-H N 7.48 ambi=1 { N:115.4 } ::sumAvg: 4.92 atom: 193 16L-QB B 1.35 ambi=2 { CB:47.3 } atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } ::sumAvg: 4.875 atom: 192 16L-HA A 4.37 ambi=1 { CA:54.7 } atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } ::sumAvg: 4.715 atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } ::sumAvg: 4.62 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 177 15L-H N 8.21 ambi=1 { N:126.2 } ::sumAvg: 3.42 atom: 193 16L-QB B 1.35 ambi=2 { CB:47.3 } atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } ::sumAvg: 4.745 atom: 196 16L-HD1 D1 0.81 ambi=2 { CD1:23.6 } atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } :: atom: 197 16L-HD2 D2 0.61 ambi=2 { CD2:27.2 } atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } ::sumAvg: 4.9 atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } ::sumAvg: 4.72 atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } atom: 178 15L-HA A 4.52 ambi=1 { CA:57 } ::sumAvg: 4.72 atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } atom: 192 16L-HA A 4.37 ambi=1 { CA:54.7 } :: atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } atom: 192 16L-HA A 4.37 ambi=1 { CA:54.7 } ::sumAvg: 4.675 atom: 192 16L-HA A 4.37 ambi=1 { CA:54.7 } atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } :: atom: 192 16L-HA A 4.37 ambi=1 { CA:54.7 } atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } ::sumAvg: 4.675 atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } atom: 335 29I-H N 9.01 ambi=1 { N:117.5 } :: atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } atom: 335 29I-H N 9.01 ambi=1 { N:117.5 } ::sumAvg: 4.315 atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } :: atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } ::sumAvg: 4.77 atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } :: atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } ::sumAvg: 4.58 atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } :: atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } ::sumAvg: 3.205 atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } :: atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } :: atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } :: atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } ::sumAvg: 4.89 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } :: atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } ::sumAvg: 4.89 atom: 179 15L-HB2 B 1.52 ambi=2 { CB:42.1 } atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } :: atom: 180 15L-HB3 B 1.4 ambi=2 { CB:42.1 } atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } ::sumAvg: 4.515 atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } ::sumAvg: 3.45 atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } ::sumAvg: 4.49 atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } :: atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } ::sumAvg: 3.855 atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } ::sumAvg: 3.855 atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } atom: 368 31R-HD3 D 2.53 ambi=2 { CD:42.4 } :: atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } atom: 367 31R-HD2 D 2.69 ambi=2 { CD:42.4 } ::sumAvg: 4.875 atom: 368 31R-HD3 D 2.53 ambi=2 { CD:42.4 } atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } :: atom: 367 31R-HD2 D 2.69 ambi=2 { CD:42.4 } atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } ::sumAvg: 4.875 atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } ::sumAvg: 3.56 atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } ::sumAvg: 4.985 atom: 181 15L-HG G 1.51 ambi=1 { CG:29.3 } atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } ::sumAvg: 4.41 atom: 182 15L-HD1 D1 0.78 ambi=2 { CD1:25.4 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } :: atom: 183 15L-HD2 D2 0.82 ambi=2 { CD2:25 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 4.21 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 182 15L-HD1 D1 0.78 ambi=2 { CD1:25.4 } :: atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 183 15L-HD2 D2 0.82 ambi=2 { CD2:25 } ::sumAvg: 3.875 atom: 182 15L-HD1 D1 0.78 ambi=2 { CD1:25.4 } atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } :: atom: 183 15L-HD2 D2 0.82 ambi=2 { CD2:25 } atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } ::sumAvg: 4.445 atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 182 15L-HD1 D1 0.78 ambi=2 { CD1:25.4 } :: atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 183 15L-HD2 D2 0.82 ambi=2 { CD2:25 } ::sumAvg: 4.445 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 182 15L-HD1 D1 0.78 ambi=2 { CD1:25.4 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 182 15L-HD1 D1 0.78 ambi=2 { CD1:25.4 } :: atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 183 15L-HD2 D2 0.82 ambi=2 { CD2:25 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 183 15L-HD2 D2 0.82 ambi=2 { CD2:25 } ::sumAvg: 4.565 atom: 182 15L-HD1 D1 0.78 ambi=2 { CD1:25.4 } atom: 487 42D-H N 9.07 ambi=1 { N:124 } :: atom: 183 15L-HD2 D2 0.82 ambi=2 { CD2:25 } atom: 487 42D-H N 9.07 ambi=1 { N:124 } ::sumAvg: 3.95 atom: 193 16L-QB B 1.35 ambi=2 { CB:47.3 } atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } ::sumAvg: 4.365 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 193 16L-QB B 1.35 ambi=2 { CB:47.3 } ::sumAvg: 4.365 atom: 193 16L-QB B 1.35 ambi=2 { CB:47.3 } atom: 215 18L-HA A 4.2 ambi=1 { CA:56.5 } ::sumAvg: 4.76 atom: 193 16L-QB B 1.35 ambi=2 { CB:47.3 } atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } ::sumAvg: 4.89 atom: 193 16L-QB B 1.35 ambi=2 { CB:47.3 } atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } :: atom: 193 16L-QB B 1.35 ambi=2 { CB:47.3 } atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } ::sumAvg: 3.355 atom: 193 16L-QB B 1.35 ambi=2 { CB:47.3 } atom: 335 29I-H N 9.01 ambi=1 { N:117.5 } ::sumAvg: 4.06 atom: 192 16L-HA A 4.37 ambi=1 { CA:54.7 } atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } ::sumAvg: 4.4 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 192 16L-HA A 4.37 ambi=1 { CA:54.7 } ::sumAvg: 4.4 atom: 192 16L-HA A 4.37 ambi=1 { CA:54.7 } atom: 335 29I-H N 9.01 ambi=1 { N:117.5 } ::sumAvg: 4.875 atom: 207 17T-HB B 4.15 ambi=1 { CB:69.2 } atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } ::sumAvg: 4.16 atom: 207 17T-HB B 4.15 ambi=1 { CB:69.2 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.735 atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } :: atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } ::sumAvg: 4.8 atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } atom: 236 20E-H N 8.35 ambi=1 { N:118.6 } ::sumAvg: 4.57 atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } atom: 229 19S-HA A 4.55 ambi=1 { CA:57.4 } ::sumAvg: 3.53 atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } ::sumAvg: 4.68 atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } ::sumAvg: 4.68 atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } atom: 238 20E-HB2 B 1.95 ambi=2 { CB:32.2 } :: atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } atom: 239 20E-HB3 B 1.89 ambi=2 { CB:32.2 } ::sumAvg: 4.15 atom: 238 20E-HB2 B 1.95 ambi=2 { CB:32.2 } atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } :: atom: 239 20E-HB3 B 1.89 ambi=2 { CB:32.2 } atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } ::sumAvg: 4.15 atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } ::sumAvg: 4.745 atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } ::sumAvg: 3.835 atom: 195 16L-HG G 1.26 ambi=1 { CG:27.2 } atom: 205 17T-H N 9.17 ambi=1 { N:125.9 } ::sumAvg: 4.095 atom: 195 16L-HG G 1.26 ambi=1 { CG:27.2 } atom: 335 29I-H N 9.01 ambi=1 { N:117.5 } ::sumAvg: 4.36 atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } atom: 195 16L-HG G 1.26 ambi=1 { CG:27.2 } ::sumAvg: 3.255 atom: 196 16L-HD1 D1 0.81 ambi=2 { CD1:23.6 } atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } :: atom: 197 16L-HD2 D2 0.61 ambi=2 { CD2:27.2 } atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } ::sumAvg: 4.645 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 196 16L-HD1 D1 0.81 ambi=2 { CD1:23.6 } :: atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 197 16L-HD2 D2 0.61 ambi=2 { CD2:27.2 } ::sumAvg: 4.645 atom: 196 16L-HD1 D1 0.81 ambi=2 { CD1:23.6 } atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } :: atom: 197 16L-HD2 D2 0.61 ambi=2 { CD2:27.2 } atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } ::sumAvg: 4.93 atom: 196 16L-HD1 D1 0.81 ambi=2 { CD1:23.6 } atom: 218 18L-HG G 1.5 ambi=1 { CG:27.6 } :: atom: 197 16L-HD2 D2 0.61 ambi=2 { CD2:27.2 } atom: 218 18L-HG G 1.5 ambi=1 { CG:27.6 } ::sumAvg: 3.81 atom: 196 16L-HD1 D1 0.81 ambi=2 { CD1:23.6 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } :: atom: 197 16L-HD2 D2 0.61 ambi=2 { CD2:27.2 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } ::sumAvg: 4.86 atom: 196 16L-HD1 D1 0.81 ambi=2 { CD1:23.6 } atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } :: atom: 197 16L-HD2 D2 0.61 ambi=2 { CD2:27.2 } atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } ::sumAvg: 4.71 atom: 196 16L-HD1 D1 0.81 ambi=2 { CD1:23.6 } atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } :: atom: 197 16L-HD2 D2 0.61 ambi=2 { CD2:27.2 } atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } ::sumAvg: 4.955 atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } atom: 196 16L-HD1 D1 0.81 ambi=2 { CD1:23.6 } :: atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } atom: 197 16L-HD2 D2 0.61 ambi=2 { CD2:27.2 } ::sumAvg: 4.955 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 205 17T-H N 9.17 ambi=1 { N:125.9 } ::sumAvg: 2.915 atom: 215 18L-HA A 4.2 ambi=1 { CA:56.5 } atom: 205 17T-H N 9.17 ambi=1 { N:125.9 } ::sumAvg: 4.95 atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } atom: 205 17T-H N 9.17 ambi=1 { N:125.9 } :: atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } atom: 205 17T-H N 9.17 ambi=1 { N:125.9 } ::sumAvg: 4.94 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 205 17T-H N 9.17 ambi=1 { N:125.9 } ::sumAvg: 4.53 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 207 17T-HB B 4.15 ambi=1 { CB:69.2 } ::sumAvg: 3.03 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 208 17T-HG2 G2 1.35 ambi=1 { CG2:23.4 } ::sumAvg: 2.4 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 215 18L-HA A 4.2 ambi=1 { CA:56.5 } ::sumAvg: 4.3 atom: 215 18L-HA A 4.2 ambi=1 { CA:56.5 } atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } ::sumAvg: 4.3 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } :: atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } ::sumAvg: 4.48 atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } :: atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } ::sumAvg: 4.48 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } ::sumAvg: 2.195 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } :: atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } ::sumAvg: 4.325 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 218 18L-HG G 1.5 ambi=1 { CG:27.6 } ::sumAvg: 3.815 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 228 19S-H N 7.46 ambi=1 { N:107.4 } ::sumAvg: 4.355 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } ::sumAvg: 2.645 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 2.425 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } ::sumAvg: 2.425 atom: 206 17T-HA A 4.8 ambi=1 { CA:63.1 } atom: 335 29I-H N 9.01 ambi=1 { N:117.5 } ::sumAvg: 3.36 atom: 215 18L-HA A 4.2 ambi=1 { CA:56.5 } atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } ::sumAvg: 4.66 atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } atom: 215 18L-HA A 4.2 ambi=1 { CA:56.5 } ::sumAvg: 4.66 atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } atom: 229 19S-HA A 4.55 ambi=1 { CA:57.4 } :: atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } atom: 229 19S-HA A 4.55 ambi=1 { CA:57.4 } ::sumAvg: 4.85 atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } atom: 230 19S-HB2 B 4.29 ambi=2 { CB:64 } :: atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } atom: 231 19S-HB3 B 3.83 ambi=2 { CB:64 } :: atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } atom: 230 19S-HB2 B 4.29 ambi=2 { CB:64 } :: atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } atom: 231 19S-HB3 B 3.83 ambi=2 { CB:64 } ::sumAvg: 3.81 atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } ::sumAvg: 2.61 atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } ::sumAvg: 2.61 atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } :: atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } ::sumAvg: 4.3 atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } :: atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } ::sumAvg: 4.765 atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } :: atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } ::sumAvg: 4.765 atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } atom: 315 27K-HG3 G 1.24 ambi=2 { CG:26.4 } ::sumAvg: 3.71 atom: 315 27K-HG3 G 1.24 ambi=2 { CG:26.4 } atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } ::sumAvg: 3.71 atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } atom: 318 27K-QE E 3.11 ambi=2 { CE:41.8 } :: atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } atom: 318 27K-QE E 3.11 ambi=2 { CE:41.8 } ::sumAvg: 4.59 atom: 318 27K-QE E 3.11 ambi=2 { CE:41.8 } atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } :: atom: 318 27K-QE E 3.11 ambi=2 { CE:41.8 } atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } ::sumAvg: 4.59 atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } :: atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 4.59 atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } :: atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } ::sumAvg: 3.365 atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.79 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 217 18L-HB3 B 1.43 ambi=2 { CB:43.2 } ::sumAvg: 4.79 atom: 216 18L-HB2 B 1.72 ambi=2 { CB:43.2 } atom: 341 29I-HD1 D1 1.05 ambi=1 { CD1:14.4 } ::sumAvg: 4.98 atom: 229 19S-HA A 4.55 ambi=1 { CA:57.4 } atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } ::sumAvg: 4.785 atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } :: atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } ::sumAvg: 4.28 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 214 18L-H N 9.6 ambi=1 { N:125.8 } ::sumAvg: 3.315 atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } :: atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } ::sumAvg: 4.585 atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } :: atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } ::sumAvg: 4.585 atom: 316 27K-QD D 1.54 ambi=2 { CD:29.6 } atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } :: atom: 316 27K-QD D 1.54 ambi=2 { CD:29.6 } atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } ::sumAvg: 3.55 atom: 318 27K-QE E 3.11 ambi=2 { CE:41.8 } atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } :: atom: 318 27K-QE E 3.11 ambi=2 { CE:41.8 } atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } ::sumAvg: 3.395 atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } :: atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 3.96 atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } :: atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } ::sumAvg: 3.42 atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } :: atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.805 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } :: atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } ::sumAvg: 4.805 atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } :: atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } ::sumAvg: 4.665 atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } :: atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } ::sumAvg: 4.665 atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } :: atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } ::sumAvg: 4.05 atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } :: atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } ::sumAvg: 4.05 atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } :: atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } ::sumAvg: 4.605 atom: 219 18L-HD1 D1 0.74 ambi=2 { CD1:25.5 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } :: atom: 220 18L-HD2 D2 0.73 ambi=2 { CD2:23.7 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.71 atom: 218 18L-HG G 1.5 ambi=1 { CG:27.6 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 4.565 atom: 218 18L-HG G 1.5 ambi=1 { CG:27.6 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.39 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 218 18L-HG G 1.5 ambi=1 { CG:27.6 } ::sumAvg: 4.39 atom: 218 18L-HG G 1.5 ambi=1 { CG:27.6 } atom: 335 29I-H N 9.01 ambi=1 { N:117.5 } ::sumAvg: 3.53 atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 218 18L-HG G 1.5 ambi=1 { CG:27.6 } ::sumAvg: 4.545 atom: 240 20E-HG2 G 2.53 ambi=2 { CG:33.8 } atom: 236 20E-H N 8.35 ambi=1 { N:118.6 } :: atom: 241 20E-HG3 G 2.11 ambi=2 { CG:33.8 } atom: 236 20E-H N 8.35 ambi=1 { N:118.6 } ::sumAvg: 4.495 atom: 248 21N-HA A 5.06 ambi=1 { CA:51 } atom: 236 20E-H N 8.35 ambi=1 { N:118.6 } ::sumAvg: 4.745 atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 236 20E-H N 8.35 ambi=1 { N:118.6 } ::sumAvg: 4.87 atom: 304 26T-HG2 G2 1.26 ambi=1 { CG2:23.1 } atom: 236 20E-H N 8.35 ambi=1 { N:118.6 } ::sumAvg: 4.69 atom: 230 19S-HB2 B 4.29 ambi=2 { CB:64 } atom: 228 19S-H N 7.46 ambi=1 { N:107.4 } :: atom: 231 19S-HB3 B 3.83 ambi=2 { CB:64 } atom: 228 19S-H N 7.46 ambi=1 { N:107.4 } ::sumAvg: 3.255 atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } atom: 228 19S-H N 7.46 ambi=1 { N:107.4 } ::sumAvg: 4.6 atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 228 19S-H N 7.46 ambi=1 { N:107.4 } ::sumAvg: 4.935 atom: 314 27K-HG2 G 1.57 ambi=2 { CG:26.4 } atom: 228 19S-H N 7.46 ambi=1 { N:107.4 } :: atom: 315 27K-HG3 G 1.24 ambi=2 { CG:26.4 } atom: 228 19S-H N 7.46 ambi=1 { N:107.4 } ::sumAvg: 4.995 atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } atom: 228 19S-H N 7.46 ambi=1 { N:107.4 } ::sumAvg: 4.22 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 228 19S-H N 7.46 ambi=1 { N:107.4 } ::sumAvg: 4.82 atom: 229 19S-HA A 4.55 ambi=1 { CA:57.4 } atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } ::sumAvg: 4.43 atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } atom: 229 19S-HA A 4.55 ambi=1 { CA:57.4 } ::sumAvg: 4.43 atom: 229 19S-HA A 4.55 ambi=1 { CA:57.4 } atom: 238 20E-HB2 B 1.95 ambi=2 { CB:32.2 } :: atom: 229 19S-HA A 4.55 ambi=1 { CA:57.4 } atom: 239 20E-HB3 B 1.89 ambi=2 { CB:32.2 } ::sumAvg: 4.465 atom: 229 19S-HA A 4.55 ambi=1 { CA:57.4 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } ::sumAvg: 4.93 atom: 230 19S-HB2 B 4.29 ambi=2 { CB:64 } atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } :: atom: 231 19S-HB3 B 3.83 ambi=2 { CB:64 } atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } ::sumAvg: 4.655 atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } atom: 230 19S-HB2 B 4.29 ambi=2 { CB:64 } :: atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } atom: 231 19S-HB3 B 3.83 ambi=2 { CB:64 } ::sumAvg: 4.655 atom: 230 19S-HB2 B 4.29 ambi=2 { CB:64 } atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } :: atom: 230 19S-HB2 B 4.29 ambi=2 { CB:64 } atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } :: atom: 231 19S-HB3 B 3.83 ambi=2 { CB:64 } atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } :: atom: 231 19S-HB3 B 3.83 ambi=2 { CB:64 } atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } ::sumAvg: 4.21 atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } atom: 230 19S-HB2 B 4.29 ambi=2 { CB:64 } :: atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } atom: 230 19S-HB2 B 4.29 ambi=2 { CB:64 } :: atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } atom: 231 19S-HB3 B 3.83 ambi=2 { CB:64 } :: atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } atom: 231 19S-HB3 B 3.83 ambi=2 { CB:64 } ::sumAvg: 4.21 atom: 230 19S-HB2 B 4.29 ambi=2 { CB:64 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } :: atom: 231 19S-HB3 B 3.83 ambi=2 { CB:64 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } ::sumAvg: 4.87 atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } :: atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } ::sumAvg: 4.665 atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } ::sumAvg: 4.075 atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } ::sumAvg: 4.075 atom: 237 20E-HA A 5.1 ambi=1 { CA:54.9 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } ::sumAvg: 4.82 atom: 248 21N-HA A 5.06 ambi=1 { CA:51 } atom: 238 20E-HB2 B 1.95 ambi=2 { CB:32.2 } :: atom: 248 21N-HA A 5.06 ambi=1 { CA:51 } atom: 239 20E-HB3 B 1.89 ambi=2 { CB:32.2 } ::sumAvg: 4.945 atom: 238 20E-HB2 B 1.95 ambi=2 { CB:32.2 } atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } :: atom: 239 20E-HB3 B 1.89 ambi=2 { CB:32.2 } atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } ::sumAvg: 3.925 atom: 238 20E-HB2 B 1.95 ambi=2 { CB:32.2 } atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } :: atom: 239 20E-HB3 B 1.89 ambi=2 { CB:32.2 } atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } ::sumAvg: 4.89 atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } atom: 238 20E-HB2 B 1.95 ambi=2 { CB:32.2 } :: atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } atom: 239 20E-HB3 B 1.89 ambi=2 { CB:32.2 } ::sumAvg: 4.89 atom: 238 20E-HB2 B 1.95 ambi=2 { CB:32.2 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } :: atom: 239 20E-HB3 B 1.89 ambi=2 { CB:32.2 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } ::sumAvg: 4.88 atom: 240 20E-HG2 G 2.53 ambi=2 { CG:33.8 } atom: 270 23K-H N 7.74 ambi=1 { N:117.1 } :: atom: 241 20E-HG3 G 2.11 ambi=2 { CG:33.8 } atom: 270 23K-H N 7.74 ambi=1 { N:117.1 } ::sumAvg: 4.83 atom: 240 20E-HG2 G 2.53 ambi=2 { CG:33.8 } atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } :: atom: 240 20E-HG2 G 2.53 ambi=2 { CG:33.8 } atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } :: atom: 241 20E-HG3 G 2.11 ambi=2 { CG:33.8 } atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } :: atom: 241 20E-HG3 G 2.11 ambi=2 { CG:33.8 } atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } ::sumAvg: 3.895 atom: 240 20E-HG2 G 2.53 ambi=2 { CG:33.8 } atom: 284 25W-H N 8.16 ambi=1 { N:120.8 } :: atom: 241 20E-HG3 G 2.11 ambi=2 { CG:33.8 } atom: 284 25W-H N 8.16 ambi=1 { N:120.8 } ::sumAvg: 4.44 atom: 240 20E-HG2 G 2.53 ambi=2 { CG:33.8 } atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } :: atom: 241 20E-HG3 G 2.11 ambi=2 { CG:33.8 } atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } ::sumAvg: 3.26 atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 240 20E-HG2 G 2.53 ambi=2 { CG:33.8 } :: atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 241 20E-HG3 G 2.11 ambi=2 { CG:33.8 } ::sumAvg: 3.26 atom: 240 20E-HG2 G 2.53 ambi=2 { CG:33.8 } atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } :: atom: 241 20E-HG3 G 2.11 ambi=2 { CG:33.8 } atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } ::sumAvg: 4.65 atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } atom: 240 20E-HG2 G 2.53 ambi=2 { CG:33.8 } :: atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } atom: 241 20E-HG3 G 2.11 ambi=2 { CG:33.8 } ::sumAvg: 4.65 atom: 240 20E-HG2 G 2.53 ambi=2 { CG:33.8 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } :: atom: 241 20E-HG3 G 2.11 ambi=2 { CG:33.8 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } ::sumAvg: 4.74 atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } atom: 260 22E-HA A 4.14 ambi=1 { CA:59.1 } :: atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } atom: 260 22E-HA A 4.14 ambi=1 { CA:59.1 } ::sumAvg: 4.475 atom: 260 22E-HA A 4.14 ambi=1 { CA:59.1 } atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } :: atom: 260 22E-HA A 4.14 ambi=1 { CA:59.1 } atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } ::sumAvg: 4.475 atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } atom: 261 22E-QB B 2.09 ambi=2 { CB:28.7 } :: atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } atom: 261 22E-QB B 2.09 ambi=2 { CB:28.7 } ::sumAvg: 4.52 atom: 261 22E-QB B 2.09 ambi=2 { CB:28.7 } atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } :: atom: 261 22E-QB B 2.09 ambi=2 { CB:28.7 } atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } ::sumAvg: 4.52 atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } :: atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } ::sumAvg: 3.035 atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } atom: 263 22E-QG G 2.42 ambi=2 { CG:35.7 } :: atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } atom: 263 22E-QG G 2.42 ambi=2 { CG:35.7 } ::sumAvg: 4.3 atom: 263 22E-QG G 2.42 ambi=2 { CG:35.7 } atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } :: atom: 263 22E-QG G 2.42 ambi=2 { CG:35.7 } atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } ::sumAvg: 4.3 atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } atom: 270 23K-H N 7.74 ambi=1 { N:117.1 } :: atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } atom: 270 23K-H N 7.74 ambi=1 { N:117.1 } ::sumAvg: 4.66 atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } atom: 284 25W-H N 8.16 ambi=1 { N:120.8 } :: atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } atom: 284 25W-H N 8.16 ambi=1 { N:120.8 } ::sumAvg: 3.98 atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } :: atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } ::sumAvg: 4.86 atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } :: atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } ::sumAvg: 4.86 atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } :: atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } :: atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } :: atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } ::sumAvg: 4.76 atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } :: atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } :: atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } :: atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } ::sumAvg: 4.76 atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } :: atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } ::sumAvg: 4.95 atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } atom: 249 21N-HB2 B 3.54 ambi=2 { CB:39.2 } :: atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } atom: 250 21N-HB3 B 3.02 ambi=2 { CB:39.2 } ::sumAvg: 4.95 atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } atom: 247 21N-H N 8.79 ambi=1 { N:124.1 } :: atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } atom: 247 21N-H N 8.79 ambi=1 { N:124.1 } ::sumAvg: 3.66 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 247 21N-H N 8.79 ambi=1 { N:124.1 } ::sumAvg: 4.805 atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 247 21N-H N 8.79 ambi=1 { N:124.1 } ::sumAvg: 2.775 atom: 248 21N-HA A 5.06 ambi=1 { CA:51 } atom: 260 22E-HA A 4.14 ambi=1 { CA:59.1 } ::sumAvg: 4.4 atom: 261 22E-QB B 2.09 ambi=2 { CB:28.7 } atom: 248 21N-HA A 5.06 ambi=1 { CA:51 } ::sumAvg: 4.34 atom: 248 21N-HA A 5.06 ambi=1 { CA:51 } atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } :: atom: 248 21N-HA A 5.06 ambi=1 { CA:51 } atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } ::sumAvg: 4.935 atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } atom: 248 21N-HA A 5.06 ambi=1 { CA:51 } :: atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } atom: 248 21N-HA A 5.06 ambi=1 { CA:51 } ::sumAvg: 4.935 atom: 248 21N-HA A 5.06 ambi=1 { CA:51 } atom: 263 22E-QG G 2.42 ambi=2 { CG:35.7 } ::sumAvg: 4.735 atom: 248 21N-HA A 5.06 ambi=1 { CA:51 } atom: 270 23K-H N 7.74 ambi=1 { N:117.1 } ::sumAvg: 4.95 atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } atom: 251 21N-HD21 D2 7.54 ambi=2 { ND2:111.1 } :: atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } atom: 251 21N-HD21 D2 7.54 ambi=2 { ND2:111.1 } :: atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } atom: 252 21N-HD22 D2 6.94 ambi=2 { ND2:111.1 } :: atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } atom: 252 21N-HD22 D2 6.94 ambi=2 { ND2:111.1 } ::sumAvg: 4.15 atom: 263 22E-QG G 2.42 ambi=2 { CG:35.7 } atom: 251 21N-HD21 D2 7.54 ambi=2 { ND2:111.1 } :: atom: 263 22E-QG G 2.42 ambi=2 { CG:35.7 } atom: 252 21N-HD22 D2 6.94 ambi=2 { ND2:111.1 } ::sumAvg: 4.675 atom: 272 23K-HB2 B 2.39 ambi=2 { CB:29.6 } atom: 260 22E-HA A 4.14 ambi=1 { CA:59.1 } :: atom: 273 23K-HB3 B 2.1 ambi=2 { CB:29.6 } atom: 260 22E-HA A 4.14 ambi=1 { CA:59.1 } ::sumAvg: 4.915 atom: 261 22E-QB B 2.09 ambi=2 { CB:28.7 } atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } :: atom: 261 22E-QB B 2.09 ambi=2 { CB:28.7 } atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } ::sumAvg: 4.79 atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } atom: 261 22E-QB B 2.09 ambi=2 { CB:28.7 } :: atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } atom: 261 22E-QB B 2.09 ambi=2 { CB:28.7 } ::sumAvg: 4.79 atom: 261 22E-QB B 2.09 ambi=2 { CB:28.7 } atom: 271 23K-HA A 4.46 ambi=1 { CA:56.3 } ::sumAvg: 4.515 atom: 261 22E-QB B 2.09 ambi=2 { CB:28.7 } atom: 278 24G-H N 8.23 ambi=1 { N:107.8 } ::sumAvg: 4.415 atom: 261 22E-QB B 2.09 ambi=2 { CB:28.7 } atom: 284 25W-H N 8.16 ambi=1 { N:120.8 } ::sumAvg: 4.31 atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } :: atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } ::sumAvg: 4.59 atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } :: atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } ::sumAvg: 4.59 atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } :: atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } ::sumAvg: 4.975 atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } :: atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } ::sumAvg: 3.545 atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } :: atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } ::sumAvg: 4.255 atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } :: atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } ::sumAvg: 4.905 atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } ::sumAvg: 4.82 atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } ::sumAvg: 4.82 atom: 263 22E-QG G 2.42 ambi=2 { CG:35.7 } atom: 271 23K-HA A 4.46 ambi=1 { CA:56.3 } ::sumAvg: 4.88 atom: 271 23K-HA A 4.46 ambi=1 { CA:56.3 } atom: 263 22E-QG G 2.42 ambi=2 { CG:35.7 } ::sumAvg: 4.88 atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } atom: 270 23K-H N 7.74 ambi=1 { N:117.1 } :: atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } atom: 270 23K-H N 7.74 ambi=1 { N:117.1 } ::sumAvg: 4.395 atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } atom: 270 23K-H N 7.74 ambi=1 { N:117.1 } :: atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } atom: 270 23K-H N 7.74 ambi=1 { N:117.1 } ::sumAvg: 4.99 atom: 271 23K-HA A 4.46 ambi=1 { CA:56.3 } atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } ::sumAvg: 4.4 atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } atom: 271 23K-HA A 4.46 ambi=1 { CA:56.3 } ::sumAvg: 4.4 atom: 271 23K-HA A 4.46 ambi=1 { CA:56.3 } atom: 284 25W-H N 8.16 ambi=1 { N:120.8 } ::sumAvg: 4.42 atom: 272 23K-HB2 B 2.39 ambi=2 { CB:29.6 } atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } :: atom: 272 23K-HB2 B 2.39 ambi=2 { CB:29.6 } atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } :: atom: 273 23K-HB3 B 2.1 ambi=2 { CB:29.6 } atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } :: atom: 273 23K-HB3 B 2.1 ambi=2 { CB:29.6 } atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } ::sumAvg: 4.515 atom: 272 23K-HB2 B 2.39 ambi=2 { CB:29.6 } atom: 284 25W-H N 8.16 ambi=1 { N:120.8 } :: atom: 273 23K-HB3 B 2.1 ambi=2 { CB:29.6 } atom: 284 25W-H N 8.16 ambi=1 { N:120.8 } ::sumAvg: 4.525 atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } atom: 278 24G-H N 8.23 ambi=1 { N:107.8 } :: atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } atom: 278 24G-H N 8.23 ambi=1 { N:107.8 } ::sumAvg: 4.705 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 278 24G-H N 8.23 ambi=1 { N:107.8 } ::sumAvg: 4.95 atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } :: atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } ::sumAvg: 4.365 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } :: atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } ::sumAvg: 4.365 atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } :: atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } ::sumAvg: 4.18 atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } atom: 546 48P-HB2 B 2.33 ambi=2 { CB:31.5 } :: atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } atom: 547 48P-HB3 B 1.8 ambi=2 { CB:31.5 } :: atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } atom: 546 48P-HB2 B 2.33 ambi=2 { CB:31.5 } :: atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } atom: 547 48P-HB3 B 1.8 ambi=2 { CB:31.5 } ::sumAvg: 4.59 atom: 548 48P-HG2 G 2.07 ambi=2 { CG:27.2 } atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } :: atom: 549 48P-HG3 G 1.95 ambi=2 { CG:27.2 } atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } :: atom: 548 48P-HG2 G 2.07 ambi=2 { CG:27.2 } atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } :: atom: 549 48P-HG3 G 1.95 ambi=2 { CG:27.2 } atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } ::sumAvg: 3.505 atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } :: atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } :: atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } :: atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } ::sumAvg: 3.7 atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } :: atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } atom: 279 24G-HA2 A 4.3 ambi=2 { CA:45.4 } :: atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } :: atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } atom: 280 24G-HA3 A 3.88 ambi=2 { CA:45.4 } ::sumAvg: 3.7 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 284 25W-H N 8.16 ambi=1 { N:120.8 } ::sumAvg: 2.89 atom: 548 48P-HG2 G 2.07 ambi=2 { CG:27.2 } atom: 284 25W-H N 8.16 ambi=1 { N:120.8 } :: atom: 549 48P-HG3 G 1.95 ambi=2 { CG:27.2 } atom: 284 25W-H N 8.16 ambi=1 { N:120.8 } ::sumAvg: 4.8 atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } atom: 284 25W-H N 8.16 ambi=1 { N:120.8 } :: atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } atom: 284 25W-H N 8.16 ambi=1 { N:120.8 } ::sumAvg: 4.26 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 286 25W-HB2 B 3.07 ambi=2 { CB:28.1 } :: atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 287 25W-HB3 B 2.95 ambi=2 { CB:28.1 } ::sumAvg: 2.56 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } ::sumAvg: 4.395 atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } ::sumAvg: 4.395 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } ::sumAvg: 3.125 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } ::sumAvg: 2.265 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 304 26T-HG2 G2 1.26 ambi=1 { CG2:23.1 } ::sumAvg: 4.53 atom: 304 26T-HG2 G2 1.26 ambi=1 { CG2:23.1 } atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } ::sumAvg: 4.53 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } :: atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } ::sumAvg: 3.925 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } ::sumAvg: 4.705 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 538 47S-H N 7.42 ambi=1 { N:116.2 } ::sumAvg: 4.81 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 548 48P-HG2 G 2.07 ambi=2 { CG:27.2 } :: atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 549 48P-HG3 G 1.95 ambi=2 { CG:27.2 } ::sumAvg: 4.545 atom: 548 48P-HG2 G 2.07 ambi=2 { CG:27.2 } atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } :: atom: 549 48P-HG3 G 1.95 ambi=2 { CG:27.2 } atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } ::sumAvg: 4.545 atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } :: atom: 285 25W-HA A 4.8 ambi=1 { CA:58.5 } atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } ::sumAvg: 2.76 atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } :: atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } ::sumAvg: 4.31 atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } :: atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } ::sumAvg: 4.31 atom: 302 26T-HA A 5.46 ambi=1 { CA:58.6 } atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } ::sumAvg: 4.795 atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } ::sumAvg: 4.615 atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } ::sumAvg: 4.615 atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.465 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } ::sumAvg: 4.465 atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } ::sumAvg: 4.38 atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } atom: 526 46W-HB2 B 2.8 ambi=2 { CB:34.4 } :: atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } atom: 527 46W-HB3 B 2.66 ambi=2 { CB:34.4 } ::sumAvg: 4.62 atom: 526 46W-HB2 B 2.8 ambi=2 { CB:34.4 } atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } :: atom: 527 46W-HB3 B 2.66 ambi=2 { CB:34.4 } atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } ::sumAvg: 4.62 atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } :: atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } ::sumAvg: 4.675 atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } :: atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } atom: 288 25W-HD1 D1 7.16 ambi=1 { CD1:125.3 } ::sumAvg: 3.52 atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } :: atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } ::sumAvg: 4.28 atom: 548 48P-HG2 G 2.07 ambi=2 { CG:27.2 } atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } :: atom: 549 48P-HG3 G 1.95 ambi=2 { CG:27.2 } atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } ::sumAvg: 3.795 atom: 592 52K-QG G 1.49 ambi=2 { CG:24.9 } atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } ::sumAvg: 4.815 atom: 594 52K-HD2 D 1.85 ambi=2 { CD:29.3 } atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } :: atom: 595 52K-HD3 D 1.72 ambi=2 { CD:29.3 } atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } ::sumAvg: 4.72 atom: 596 52K-QE E 3.06 ambi=2 { CE:42.4 } atom: 289 25W-HE1 E1 10.4 ambi=1 { NE1:129.9 } ::sumAvg: 4.405 atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } atom: 290 25W-HZ2 Z2 7.38 ambi=1 { CZ2:114.5 } :: atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } atom: 290 25W-HZ2 Z2 7.38 ambi=1 { CZ2:114.5 } ::sumAvg: 4.72 atom: 596 52K-QE E 3.06 ambi=2 { CE:42.4 } atom: 290 25W-HZ2 Z2 7.38 ambi=1 { CZ2:114.5 } ::sumAvg: 3.66 atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } atom: 291 25W-HZ3 Z3 6.48 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.65 atom: 607 53M-HB2 B 1.05 ambi=2 { CB:35.3 } atom: 291 25W-HZ3 Z3 6.48 ambi=1 {attached_atom is not_assigned} :: atom: 608 53M-HB3 B 0.97 ambi=2 { CB:35.3 } atom: 291 25W-HZ3 Z3 6.48 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.58 atom: 590 52K-HB2 B 1.91 ambi=2 { CB:35.9 } atom: 291 25W-HZ3 Z3 6.48 ambi=1 {attached_atom is not_assigned} :: atom: 591 52K-HB3 B 1.46 ambi=2 { CB:35.9 } atom: 291 25W-HZ3 Z3 6.48 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.31 atom: 607 53M-HB2 B 1.05 ambi=2 { CB:35.3 } atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } :: atom: 608 53M-HB3 B 0.97 ambi=2 { CB:35.3 } atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } ::sumAvg: 4.51 atom: 589 52K-HA A 4.72 ambi=1 { CA:54.7 } atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } ::sumAvg: 4.61 atom: 596 52K-QE E 3.06 ambi=2 { CE:42.4 } atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } ::sumAvg: 4.37 atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } :: atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } atom: 292 25W-HH2 H2 6.83 ambi=1 { CH2:124.3 } ::sumAvg: 4.945 atom: 303 26T-HB B 4.41 ambi=1 { CB:70.6 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } ::sumAvg: 3.205 atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } ::sumAvg: 4.95 atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } :: atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } ::sumAvg: 4.535 atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } ::sumAvg: 4.765 atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } ::sumAvg: 4.395 atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } ::sumAvg: 4.735 atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } ::sumAvg: 4.095 atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } :: atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } atom: 301 26T-H N 9.14 ambi=1 { N:112.9 } ::sumAvg: 4.32 atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } :: atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } ::sumAvg: 4.42 atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } :: atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } ::sumAvg: 4.985 atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } :: atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } ::sumAvg: 4.985 atom: 312 27K-HB2 B 1.84 ambi=2 { CB:34.8 } atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } :: atom: 313 27K-HB3 B 1.54 ambi=2 { CB:34.8 } atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } ::sumAvg: 3.875 atom: 304 26T-HG2 G2 1.26 ambi=1 { CG2:23.1 } atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } ::sumAvg: 4.535 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 304 26T-HG2 G2 1.26 ambi=1 { CG2:23.1 } ::sumAvg: 4.175 atom: 304 26T-HG2 G2 1.26 ambi=1 { CG2:23.1 } atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } ::sumAvg: 4.71 atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } ::sumAvg: 2.94 atom: 316 27K-QD D 1.54 ambi=2 { CD:29.6 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } ::sumAvg: 4.18 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } ::sumAvg: 4.79 atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } ::sumAvg: 4.64 atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } atom: 310 27K-H N 8.09 ambi=1 { N:120.6 } ::sumAvg: 4.805 atom: 316 27K-QD D 1.54 ambi=2 { CD:29.6 } atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } ::sumAvg: 3.175 atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } atom: 318 27K-QE E 3.11 ambi=2 { CE:41.8 } ::sumAvg: 3.995 atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.275 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } ::sumAvg: 4.275 atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } ::sumAvg: 4.65 atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.92 atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } ::sumAvg: 3.32 atom: 311 27K-HA A 5.3 ambi=1 { CA:56.6 } atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } ::sumAvg: 4.15 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } :: atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } ::sumAvg: 2.475 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } ::sumAvg: 4.48 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 368 31R-HD3 D 2.53 ambi=2 { CD:42.4 } :: atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 367 31R-HD2 D 2.69 ambi=2 { CD:42.4 } ::sumAvg: 4.47 atom: 368 31R-HD3 D 2.53 ambi=2 { CD:42.4 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } :: atom: 367 31R-HD2 D 2.69 ambi=2 { CD:42.4 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 4.47 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } ::sumAvg: 4.535 atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 4.535 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 378 32V-H N 9.09 ambi=1 { N:125 } ::sumAvg: 2.165 atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 3.47 atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 4.3 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } ::sumAvg: 4.73 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } :: atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } ::sumAvg: 4.17 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 4.17 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } ::sumAvg: 4.655 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 4.76 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 4.76 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } ::sumAvg: 4.05 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 487 42D-H N 9.07 ambi=1 { N:124 } ::sumAvg: 3.28 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } ::sumAvg: 3.475 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 368 31R-HD3 D 2.53 ambi=2 { CD:42.4 } :: atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 367 31R-HD2 D 2.69 ambi=2 { CD:42.4 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 368 31R-HD3 D 2.53 ambi=2 { CD:42.4 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 367 31R-HD2 D 2.69 ambi=2 { CD:42.4 } ::sumAvg: 2.51 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } ::sumAvg: 4.575 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } ::sumAvg: 4.795 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } ::sumAvg: 4.475 atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } :: atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } ::sumAvg: 4.475 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } ::sumAvg: 4.26 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } ::sumAvg: 4.41 atom: 314 27K-HG2 G 1.57 ambi=2 { CG:26.4 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } :: atom: 315 27K-HG3 G 1.24 ambi=2 { CG:26.4 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 3.35 atom: 314 27K-HG2 G 1.57 ambi=2 { CG:26.4 } atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } :: atom: 315 27K-HG3 G 1.24 ambi=2 { CG:26.4 } atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } ::sumAvg: 4.945 atom: 314 27K-HG2 G 1.57 ambi=2 { CG:26.4 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } :: atom: 315 27K-HG3 G 1.24 ambi=2 { CG:26.4 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } ::sumAvg: 4.525 atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 314 27K-HG2 G 1.57 ambi=2 { CG:26.4 } :: atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 315 27K-HG3 G 1.24 ambi=2 { CG:26.4 } ::sumAvg: 4.035 atom: 314 27K-HG2 G 1.57 ambi=2 { CG:26.4 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } :: atom: 315 27K-HG3 G 1.24 ambi=2 { CG:26.4 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.655 atom: 314 27K-HG2 G 1.57 ambi=2 { CG:26.4 } atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } :: atom: 315 27K-HG3 G 1.24 ambi=2 { CG:26.4 } atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } ::sumAvg: 4.74 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 314 27K-HG2 G 1.57 ambi=2 { CG:26.4 } :: atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 315 27K-HG3 G 1.24 ambi=2 { CG:26.4 } ::sumAvg: 4.74 atom: 316 27K-QD D 1.54 ambi=2 { CD:29.6 } atom: 318 27K-QE E 3.11 ambi=2 { CE:41.8 } ::sumAvg: 2.045 atom: 316 27K-QD D 1.54 ambi=2 { CD:29.6 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 4.24 atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 316 27K-QD D 1.54 ambi=2 { CD:29.6 } ::sumAvg: 4.3 atom: 316 27K-QD D 1.54 ambi=2 { CD:29.6 } atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } ::sumAvg: 3.635 atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 318 27K-QE E 3.11 ambi=2 { CE:41.8 } ::sumAvg: 4.22 atom: 318 27K-QE E 3.11 ambi=2 { CE:41.8 } atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } ::sumAvg: 4.75 atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } atom: 318 27K-QE E 3.11 ambi=2 { CE:41.8 } ::sumAvg: 4.75 atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 2.88 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 3.01 atom: 338 29I-HG12 G1 1.73 ambi=2 { CG1:27.3 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } :: atom: 339 29I-HG13 G1 1.25 ambi=2 { CG1:27.3 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 4.785 atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 4.39 atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } :: atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 4.74 atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 3.325 atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } atom: 327 28E-H N 9.34 ambi=1 { N:122.2 } ::sumAvg: 4.44 atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 2.23 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } ::sumAvg: 2.23 atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } ::sumAvg: 4.655 atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } ::sumAvg: 4.655 atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } atom: 341 29I-HD1 D1 1.05 ambi=1 { CD1:14.4 } ::sumAvg: 4.08 atom: 328 28E-HA A 5.49 ambi=1 { CA:54.7 } atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } ::sumAvg: 4.94 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 335 29I-H N 9.01 ambi=1 { N:117.5 } ::sumAvg: 2.355 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } ::sumAvg: 4.195 atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.195 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 339 29I-HG13 G1 1.25 ambi=2 { CG1:27.3 } ::sumAvg: 4.625 atom: 339 29I-HG13 G1 1.25 ambi=2 { CG1:27.3 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.625 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 341 29I-HD1 D1 1.05 ambi=1 { CD1:14.4 } ::sumAvg: 4.875 atom: 341 29I-HD1 D1 1.05 ambi=1 { CD1:14.4 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.875 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } :: atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } ::sumAvg: 4.845 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } ::sumAvg: 4.845 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } ::sumAvg: 3.62 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.96 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } ::sumAvg: 4.435 atom: 329 28E-QB B 2.12 ambi=2 { CB:35.3 } atom: 529 46W-HE1 E1 10.54 ambi=1 { NE1:129.1 } ::sumAvg: 4.805 atom: 338 29I-HG12 G1 1.73 ambi=2 { CG1:27.3 } atom: 335 29I-H N 9.01 ambi=1 { N:117.5 } :: atom: 339 29I-HG13 G1 1.25 ambi=2 { CG1:27.3 } atom: 335 29I-H N 9.01 ambi=1 { N:117.5 } ::sumAvg: 2.89 atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 338 29I-HG12 G1 1.73 ambi=2 { CG1:27.3 } :: atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 339 29I-HG13 G1 1.25 ambi=2 { CG1:27.3 } ::sumAvg: 2.465 atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } :: atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } ::sumAvg: 4.56 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } ::sumAvg: 4.56 atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } :: atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } ::sumAvg: 4.975 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } ::sumAvg: 4.975 atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 487 42D-H N 9.07 ambi=1 { N:124 } ::sumAvg: 4.695 atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } ::sumAvg: 4.97 atom: 336 29I-HA A 5.28 ambi=1 { CA:61.4 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 3.31 atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } atom: 339 29I-HG13 G1 1.25 ambi=2 { CG1:27.3 } ::sumAvg: 2.575 atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } ::sumAvg: 4.1 atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } ::sumAvg: 4.705 atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } ::sumAvg: 4.705 atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } ::sumAvg: 4.84 atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } ::sumAvg: 4.84 atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } ::sumAvg: 4.635 atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } ::sumAvg: 4.67 atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } ::sumAvg: 4.67 atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } ::sumAvg: 4.87 atom: 337 29I-HB B 1.82 ambi=1 { CB:38.3 } atom: 734 64F-HZ Z 6.56 ambi=1 { CZ:128.3 } ::sumAvg: 4.755 atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } atom: 338 29I-HG12 G1 1.73 ambi=2 { CG1:27.3 } ::sumAvg: 2.25 atom: 338 29I-HG12 G1 1.73 ambi=2 { CG1:27.3 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } :: atom: 339 29I-HG13 G1 1.25 ambi=2 { CG1:27.3 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } ::sumAvg: 4.42 atom: 339 29I-HG13 G1 1.25 ambi=2 { CG1:27.3 } atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } ::sumAvg: 4.305 atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } atom: 339 29I-HG13 G1 1.25 ambi=2 { CG1:27.3 } ::sumAvg: 4.305 atom: 338 29I-HG12 G1 1.73 ambi=2 { CG1:27.3 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } :: atom: 339 29I-HG13 G1 1.25 ambi=2 { CG1:27.3 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.06 atom: 338 29I-HG12 G1 1.73 ambi=2 { CG1:27.3 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } :: atom: 339 29I-HG13 G1 1.25 ambi=2 { CG1:27.3 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } ::sumAvg: 4.555 atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } :: atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } ::sumAvg: 4.765 atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 4.575 atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } ::sumAvg: 4.575 atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } :: atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } ::sumAvg: 4.77 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } ::sumAvg: 3.675 atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } ::sumAvg: 2.95 atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } ::sumAvg: 4.675 atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } ::sumAvg: 4.675 atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } ::sumAvg: 4.17 atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.685 atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } ::sumAvg: 3.66 atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } atom: 340 29I-HG2 G2 1.01 ambi=1 { CG2:17.3 } ::sumAvg: 3.66 atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } atom: 341 29I-HD1 D1 1.05 ambi=1 { CD1:14.4 } ::sumAvg: 4.225 atom: 341 29I-HD1 D1 1.05 ambi=1 { CD1:14.4 } atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } ::sumAvg: 4.96 atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } atom: 341 29I-HD1 D1 1.05 ambi=1 { CD1:14.4 } ::sumAvg: 4.96 atom: 341 29I-HD1 D1 1.05 ambi=1 { CD1:14.4 } atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } ::sumAvg: 3.745 atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } atom: 341 29I-HD1 D1 1.05 ambi=1 { CD1:14.4 } ::sumAvg: 3.745 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } ::sumAvg: 4.765 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } ::sumAvg: 3.14 atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } ::sumAvg: 4.905 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } ::sumAvg: 3.47 atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } ::sumAvg: 4.97 atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } atom: 349 30N-H N 9.25 ambi=1 { N:124.9 } ::sumAvg: 3.58 atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 4.4 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } ::sumAvg: 4.4 atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } :: atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } ::sumAvg: 4.575 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } ::sumAvg: 4.575 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } ::sumAvg: 2.16 atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } ::sumAvg: 3.51 atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } ::sumAvg: 4.965 atom: 350 30N-HA A 5.51 ambi=1 { CA:51.8 } atom: 487 42D-H N 9.07 ambi=1 { N:124 } ::sumAvg: 4.74 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } ::sumAvg: 4.56 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } :: atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } ::sumAvg: 4.56 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } :: atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } ::sumAvg: 4.66 atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } :: atom: 363 31R-HB2 B 1.32 ambi=2 { CB:30.8 } atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } :: atom: 364 31R-HB3 B 1.12 ambi=2 { CB:30.8 } atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } ::sumAvg: 4.66 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 353 30N-HD21 D2 7.56 ambi=2 { ND2:111.9 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 354 30N-HD22 D2 6.96 ambi=2 { ND2:111.9 } ::sumAvg: 2.285 atom: 351 30N-HB2 B 2.78 ambi=2 { CB:44.9 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } :: atom: 352 30N-HB3 B 2.65 ambi=2 { CB:44.9 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } ::sumAvg: 2.33 atom: 362 31R-HA A 4.86 ambi=1 { CA:55.8 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } ::sumAvg: 2.925 atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } ::sumAvg: 4.935 atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } ::sumAvg: 3.72 atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } atom: 361 31R-H N 9.01 ambi=1 { N:118 } ::sumAvg: 4.895 atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 370 31R-HH21 H2 6.39 ambi=2 {attached_atom is not_assigned} :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 370 31R-HH21 H2 6.39 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.64 atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } ::sumAvg: 4.89 atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } ::sumAvg: 4.39 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } :: atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } ::sumAvg: 4.39 atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } ::sumAvg: 4.155 atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 4.565 atom: 365 31R-HG2 G 0.97 ambi=2 { CG:28.2 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } :: atom: 366 31R-HG3 G 0.36 ambi=2 { CG:28.2 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } ::sumAvg: 2.86 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 369 31R-HE E 6.88 ambi=1 { NE:82.8 } ::sumAvg: 4.2 atom: 368 31R-HD3 D 2.53 ambi=2 { CD:42.4 } atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } :: atom: 367 31R-HD2 D 2.69 ambi=2 { CD:42.4 } atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } ::sumAvg: 4.965 atom: 368 31R-HD3 D 2.53 ambi=2 { CD:42.4 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } :: atom: 367 31R-HD2 D 2.69 ambi=2 { CD:42.4 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } ::sumAvg: 3.81 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 370 31R-HH21 H2 6.39 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.965 atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } atom: 391 33S-HB2 B 3.67 ambi=2 { CB:64 } :: atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } atom: 392 33S-HB3 B 3.57 ambi=2 { CB:64 } ::sumAvg: 4.485 atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 4.895 atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } ::sumAvg: 4.665 atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } ::sumAvg: 4.665 atom: 379 32V-HA A 4.52 ambi=1 { CA:60.8 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } ::sumAvg: 4.81 atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } ::sumAvg: 4.97 atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } ::sumAvg: 4.97 atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } ::sumAvg: 4.185 atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 2.59 atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } ::sumAvg: 4.92 atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } ::sumAvg: 4.92 atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } ::sumAvg: 4.39 atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } :: atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } ::sumAvg: 3.295 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 380 32V-HB B 1.6 ambi=1 { CB:36.4 } ::sumAvg: 3.295 atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 378 32V-H N 9.09 ambi=1 { N:125 } ::sumAvg: 4.85 atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } atom: 378 32V-H N 9.09 ambi=1 { N:125 } :: atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } atom: 378 32V-H N 9.09 ambi=1 { N:125 } ::sumAvg: 4.32 atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } atom: 378 32V-H N 9.09 ambi=1 { N:125 } ::sumAvg: 4.065 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 378 32V-H N 9.09 ambi=1 { N:125 } ::sumAvg: 4.65 atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } ::sumAvg: 3.79 atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 391 33S-HB2 B 3.67 ambi=2 { CB:64 } :: atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 392 33S-HB3 B 3.57 ambi=2 { CB:64 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 391 33S-HB2 B 3.67 ambi=2 { CB:64 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 392 33S-HB3 B 3.57 ambi=2 { CB:64 } ::sumAvg: 4.355 atom: 399 34F-HB2 B 3.02 ambi=2 { CB:40.2 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } :: atom: 400 34F-HB3 B 2.85 ambi=2 { CB:40.2 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } :: atom: 399 34F-HB2 B 3.02 ambi=2 { CB:40.2 } atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } :: atom: 400 34F-HB3 B 2.85 ambi=2 { CB:40.2 } atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } ::sumAvg: 4.965 atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } ::sumAvg: 4.195 atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } ::sumAvg: 3.625 atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } :: atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } ::sumAvg: 3.625 atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } ::sumAvg: 4.845 atom: 381 32V-HG1 G1 0.1 ambi=2 { CG1:21 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } :: atom: 382 32V-HG2 G2 1 ambi=2 { CG2:23.7 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } ::sumAvg: 4.69 atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 399 34F-HB2 B 3.02 ambi=2 { CB:40.2 } :: atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 400 34F-HB3 B 2.85 ambi=2 { CB:40.2 } ::sumAvg: 4.505 atom: 399 34F-HB2 B 3.02 ambi=2 { CB:40.2 } atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } :: atom: 400 34F-HB3 B 2.85 ambi=2 { CB:40.2 } atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } ::sumAvg: 4.505 atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } ::sumAvg: 4.37 atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } ::sumAvg: 4.37 atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } ::sumAvg: 3.795 atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.46 atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 442 38P-HG2 G 2.13 ambi=2 { CG:28.2 } :: atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 443 38P-HG3 G 1.99 ambi=2 { CG:28.2 } ::sumAvg: 4.9 atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 444 38P-HD2 D 3.85 ambi=2 { CD:50.3 } :: atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 445 38P-HD3 D 3.59 ambi=2 { CD:50.3 } ::sumAvg: 4.55 atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } ::sumAvg: 3.3 atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } :: atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.535 atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } :: atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 390 33S-HA A 4.58 ambi=1 { CA:56.3 } ::sumAvg: 4.535 atom: 391 33S-HB2 B 3.67 ambi=2 { CB:64 } atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } :: atom: 392 33S-HB3 B 3.57 ambi=2 { CB:64 } atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } ::sumAvg: 3.61 atom: 391 33S-HB2 B 3.67 ambi=2 { CB:64 } atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } :: atom: 392 33S-HB3 B 3.57 ambi=2 { CB:64 } atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } ::sumAvg: 4.855 atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } atom: 391 33S-HB2 B 3.67 ambi=2 { CB:64 } :: atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } atom: 392 33S-HB3 B 3.57 ambi=2 { CB:64 } ::sumAvg: 4.855 atom: 391 33S-HB2 B 3.67 ambi=2 { CB:64 } atom: 451 39A-H N 8.76 ambi=1 { N:126 } :: atom: 392 33S-HB3 B 3.57 ambi=2 { CB:64 } atom: 451 39A-H N 8.76 ambi=1 { N:126 } ::sumAvg: 3.965 atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } atom: 389 33S-H N 8.85 ambi=1 { N:122 } ::sumAvg: 3.975 atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } atom: 389 33S-H N 8.85 ambi=1 { N:122 } ::sumAvg: 3.86 atom: 399 34F-HB2 B 3.02 ambi=2 { CB:40.2 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } :: atom: 400 34F-HB3 B 2.85 ambi=2 { CB:40.2 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 4.405 atom: 399 34F-HB2 B 3.02 ambi=2 { CB:40.2 } atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } :: atom: 400 34F-HB3 B 2.85 ambi=2 { CB:40.2 } atom: 415 35N-H N 9.41 ambi=1 { N:123.8 } ::sumAvg: 3.39 atom: 399 34F-HB2 B 3.02 ambi=2 { CB:40.2 } atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } :: atom: 399 34F-HB2 B 3.02 ambi=2 { CB:40.2 } atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } :: atom: 400 34F-HB3 B 2.85 ambi=2 { CB:40.2 } atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } :: atom: 400 34F-HB3 B 2.85 ambi=2 { CB:40.2 } atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.915 atom: 444 38P-HD2 D 3.85 ambi=2 { CD:50.3 } atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } :: atom: 445 38P-HD3 D 3.59 ambi=2 { CD:50.3 } atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } ::sumAvg: 4.545 atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } :: atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 397 34F-H N 8.78 ambi=1 { N:129.6 } ::sumAvg: 4.855 atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 4.425 atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } atom: 416 35N-HA A 4.42 ambi=1 { CA:54.1 } ::sumAvg: 4.365 atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } atom: 417 35N-HB2 B 3.08 ambi=2 { CB:37.6 } :: atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } atom: 418 35N-HB3 B 2.75 ambi=2 { CB:37.6 } ::sumAvg: 4.675 atom: 417 35N-HB2 B 3.08 ambi=2 { CB:37.6 } atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } :: atom: 418 35N-HB3 B 2.75 ambi=2 { CB:37.6 } atom: 398 34F-HA A 5.16 ambi=1 { CA:57.4 } ::sumAvg: 4.675 atom: 428 36G-HA2 A 3.92 ambi=2 { CA:45.4 } atom: 434 37A-HA A 4.56 ambi=1 { CA:51 } :: atom: 429 36G-HA3 A 3.5 ambi=2 { CA:45.4 } atom: 434 37A-HA A 4.56 ambi=1 { CA:51 } ::sumAvg: 4.39 atom: 434 37A-HA A 4.56 ambi=1 { CA:51 } atom: 428 36G-HA2 A 3.92 ambi=2 { CA:45.4 } :: atom: 434 37A-HA A 4.56 ambi=1 { CA:51 } atom: 429 36G-HA3 A 3.5 ambi=2 { CA:45.4 } ::sumAvg: 4.39 atom: 428 36G-HA2 A 3.92 ambi=2 { CA:45.4 } atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } :: atom: 429 36G-HA3 A 3.5 ambi=2 { CA:45.4 } atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.26 atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } atom: 428 36G-HA2 A 3.92 ambi=2 { CA:45.4 } :: atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } atom: 429 36G-HA3 A 3.5 ambi=2 { CA:45.4 } ::sumAvg: 4.26 atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } :: atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } ::sumAvg: 4.01 atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } :: atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } ::sumAvg: 4.45 atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } atom: 401 34F-QD D 7.26 ambi=3 { CD1:132.2 } ::sumAvg: 4.815 atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } :: atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 3.62 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 4.02 atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } :: atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 4.795 atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 4.98 atom: 663 58T-HB B 3.78 ambi=1 { CB:70.3 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 4.405 atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 2.6 atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } atom: 403 34F-QE E 7.46 ambi=3 { CE1:131.7 } ::sumAvg: 4.885 atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } atom: 405 34F-HZ Z 7.14 ambi=1 { CZ:129.8 } :: atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } atom: 405 34F-HZ Z 7.14 ambi=1 { CZ:129.8 } ::sumAvg: 4.79 atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } atom: 405 34F-HZ Z 7.14 ambi=1 { CZ:129.8 } ::sumAvg: 4.975 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 405 34F-HZ Z 7.14 ambi=1 { CZ:129.8 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 405 34F-HZ Z 7.14 ambi=1 { CZ:129.8 } ::sumAvg: 3.645 atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } atom: 405 34F-HZ Z 7.14 ambi=1 { CZ:129.8 } ::sumAvg: 4.82 atom: 416 35N-HA A 4.42 ambi=1 { CA:54.1 } atom: 428 36G-HA2 A 3.92 ambi=2 { CA:45.4 } :: atom: 416 35N-HA A 4.42 ambi=1 { CA:54.1 } atom: 429 36G-HA3 A 3.5 ambi=2 { CA:45.4 } ::sumAvg: 4.45 atom: 428 36G-HA2 A 3.92 ambi=2 { CA:45.4 } atom: 416 35N-HA A 4.42 ambi=1 { CA:54.1 } :: atom: 429 36G-HA3 A 3.5 ambi=2 { CA:45.4 } atom: 416 35N-HA A 4.42 ambi=1 { CA:54.1 } ::sumAvg: 4.45 atom: 416 35N-HA A 4.42 ambi=1 { CA:54.1 } atom: 419 35N-HD21 D2 7.63 ambi=2 { ND2:112.7 } :: atom: 416 35N-HA A 4.42 ambi=1 { CA:54.1 } atom: 420 35N-HD22 D2 6.71 ambi=2 { ND2:112.7 } ::sumAvg: 3.235 atom: 417 35N-HB2 B 3.08 ambi=2 { CB:37.6 } atom: 428 36G-HA2 A 3.92 ambi=2 { CA:45.4 } :: atom: 417 35N-HB2 B 3.08 ambi=2 { CB:37.6 } atom: 429 36G-HA3 A 3.5 ambi=2 { CA:45.4 } :: atom: 418 35N-HB3 B 2.75 ambi=2 { CB:37.6 } atom: 428 36G-HA2 A 3.92 ambi=2 { CA:45.4 } :: atom: 418 35N-HB3 B 2.75 ambi=2 { CB:37.6 } atom: 429 36G-HA3 A 3.5 ambi=2 { CA:45.4 } ::sumAvg: 4.29 atom: 428 36G-HA2 A 3.92 ambi=2 { CA:45.4 } atom: 417 35N-HB2 B 3.08 ambi=2 { CB:37.6 } :: atom: 429 36G-HA3 A 3.5 ambi=2 { CA:45.4 } atom: 417 35N-HB2 B 3.08 ambi=2 { CB:37.6 } :: atom: 428 36G-HA2 A 3.92 ambi=2 { CA:45.4 } atom: 418 35N-HB3 B 2.75 ambi=2 { CB:37.6 } :: atom: 429 36G-HA3 A 3.5 ambi=2 { CA:45.4 } atom: 418 35N-HB3 B 2.75 ambi=2 { CB:37.6 } ::sumAvg: 4.29 atom: 444 38P-HD2 D 3.85 ambi=2 { CD:50.3 } atom: 433 37A-H N 7.59 ambi=1 { N:123.8 } :: atom: 445 38P-HD3 D 3.59 ambi=2 { CD:50.3 } atom: 433 37A-H N 7.59 ambi=1 { N:123.8 } ::sumAvg: 3.42 atom: 434 37A-HA A 4.56 ambi=1 { CA:51 } atom: 451 39A-H N 8.76 ambi=1 { N:126 } ::sumAvg: 4.845 atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } atom: 440 38P-HB2 B 2.31 ambi=2 { CB:31.6 } ::sumAvg: 4.8 atom: 440 38P-HB2 B 2.31 ambi=2 { CB:31.6 } atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.8 atom: 439 38P-HA A 4.26 ambi=1 { CA:63.6 } atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.145 atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } atom: 442 38P-HG2 G 2.13 ambi=2 { CG:28.2 } :: atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } atom: 443 38P-HG3 G 1.99 ambi=2 { CG:28.2 } ::sumAvg: 4.51 atom: 442 38P-HG2 G 2.13 ambi=2 { CG:28.2 } atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } :: atom: 443 38P-HG3 G 1.99 ambi=2 { CG:28.2 } atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.51 atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } ::sumAvg: 4.845 atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.845 atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } ::sumAvg: 4.93 atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } atom: 435 37A-HB B 1.59 ambi=1 { CB:17.6 } ::sumAvg: 4.93 atom: 440 38P-HB2 B 2.31 ambi=2 { CB:31.6 } atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } :: atom: 441 38P-HB3 B 1.74 ambi=2 { CB:31.6 } atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } ::sumAvg: 4.775 atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } atom: 440 38P-HB2 B 2.31 ambi=2 { CB:31.6 } :: atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } atom: 441 38P-HB3 B 1.74 ambi=2 { CB:31.6 } ::sumAvg: 4.775 atom: 440 38P-HB2 B 2.31 ambi=2 { CB:31.6 } atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } :: atom: 440 38P-HB2 B 2.31 ambi=2 { CB:31.6 } atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.255 atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } atom: 440 38P-HB2 B 2.31 ambi=2 { CB:31.6 } :: atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 440 38P-HB2 B 2.31 ambi=2 { CB:31.6 } ::sumAvg: 4.255 atom: 440 38P-HB2 B 2.31 ambi=2 { CB:31.6 } atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } ::sumAvg: 4.76 atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } atom: 440 38P-HB2 B 2.31 ambi=2 { CB:31.6 } ::sumAvg: 4.76 atom: 440 38P-HB2 B 2.31 ambi=2 { CB:31.6 } atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } :: atom: 441 38P-HB3 B 1.74 ambi=2 { CB:31.6 } atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } ::sumAvg: 4.735 atom: 444 38P-HD2 D 3.85 ambi=2 { CD:50.3 } atom: 439 38P-HA A 4.26 ambi=1 { CA:63.6 } :: atom: 445 38P-HD3 D 3.59 ambi=2 { CD:50.3 } atom: 439 38P-HA A 4.26 ambi=1 { CA:63.6 } ::sumAvg: 3.68 atom: 439 38P-HA A 4.26 ambi=1 { CA:63.6 } atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } :: atom: 439 38P-HA A 4.26 ambi=1 { CA:63.6 } atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.965 atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } ::sumAvg: 2.575 atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } :: atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } ::sumAvg: 4.78 atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } :: atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } ::sumAvg: 4.78 atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 4.45 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } :: atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } ::sumAvg: 4.45 atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } :: atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } ::sumAvg: 4.615 atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } ::sumAvg: 2.855 atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } :: atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } ::sumAvg: 4.42 atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } :: atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } ::sumAvg: 3.225 atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } :: atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } ::sumAvg: 3.225 atom: 442 38P-HG2 G 2.13 ambi=2 { CG:28.2 } atom: 451 39A-H N 8.76 ambi=1 { N:126 } :: atom: 443 38P-HG3 G 1.99 ambi=2 { CG:28.2 } atom: 451 39A-H N 8.76 ambi=1 { N:126 } ::sumAvg: 3.865 atom: 442 38P-HG2 G 2.13 ambi=2 { CG:28.2 } atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } :: atom: 442 38P-HG2 G 2.13 ambi=2 { CG:28.2 } atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } :: atom: 443 38P-HG3 G 1.99 ambi=2 { CG:28.2 } atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.73 atom: 442 38P-HG2 G 2.13 ambi=2 { CG:28.2 } atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } ::sumAvg: 4.67 atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } atom: 442 38P-HG2 G 2.13 ambi=2 { CG:28.2 } ::sumAvg: 4.67 atom: 442 38P-HG2 G 2.13 ambi=2 { CG:28.2 } atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } :: atom: 443 38P-HG3 G 1.99 ambi=2 { CG:28.2 } atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } ::sumAvg: 4.325 atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } atom: 442 38P-HG2 G 2.13 ambi=2 { CG:28.2 } :: atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } atom: 443 38P-HG3 G 1.99 ambi=2 { CG:28.2 } ::sumAvg: 4.325 atom: 444 38P-HD2 D 3.85 ambi=2 { CD:50.3 } atom: 451 39A-H N 8.76 ambi=1 { N:126 } :: atom: 445 38P-HD3 D 3.59 ambi=2 { CD:50.3 } atom: 451 39A-H N 8.76 ambi=1 { N:126 } ::sumAvg: 4.085 atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } atom: 451 39A-H N 8.76 ambi=1 { N:126 } :: atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 451 39A-H N 8.76 ambi=1 { N:126 } ::sumAvg: 4.465 atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } :: atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } ::sumAvg: 4.705 atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } ::sumAvg: 4.405 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } ::sumAvg: 4.405 atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } :: atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 452 39A-HA A 3.93 ambi=1 { CA:52.7 } ::sumAvg: 4.125 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } ::sumAvg: 4.175 atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } :: atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.865 atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } :: atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 453 39A-HB B 0.95 ambi=1 { CB:18.9 } ::sumAvg: 4.865 atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } :: atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } ::sumAvg: 2.52 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } ::sumAvg: 2.93 atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } ::sumAvg: 4.84 atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } atom: 458 40K-H N 7.97 ambi=1 { N:120.1 } ::sumAvg: 4.78 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 460 40K-HB2 B 2.23 ambi=2 { CB:37.7 } :: atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 461 40K-HB3 B 1.54 ambi=2 { CB:37.7 } ::sumAvg: 2.465 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } :: atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 2.79 atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } :: atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } ::sumAvg: 2.79 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } ::sumAvg: 3 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } ::sumAvg: 3.675 atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } ::sumAvg: 3.675 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } ::sumAvg: 2.395 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 4.725 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } ::sumAvg: 4.725 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } ::sumAvg: 4.07 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } ::sumAvg: 4.87 atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } ::sumAvg: 4.87 atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 696 61N-HD21 D2 7.79 ambi=2 { ND2:112.2 } :: atom: 459 40K-HA A 4.8 ambi=1 { CA:54.2 } atom: 697 61N-HD22 D2 7.07 ambi=2 { ND2:112.2 } ::sumAvg: 4.625 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 2.535 atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } ::sumAvg: 4.695 atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 4.695 atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } :: atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } ::sumAvg: 4.1 atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } :: atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 4.1 atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 4.02 atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } atom: 647 57I-H N 8.94 ambi=1 { N:117.7 } ::sumAvg: 4.84 atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } atom: 661 58T-H N 8.26 ambi=1 { N:123.1 } ::sumAvg: 4.965 atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } :: atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } ::sumAvg: 4.52 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 4.52 atom: 674 59L-HG G 1.63 ambi=1 { CG:27.5 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 4.465 atom: 675 59L-HD1 D1 0.91 ambi=2 { CD1:26.9 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } :: atom: 676 59L-HD2 D2 0.81 ambi=2 { CD2:24.6 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 3.92 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } ::sumAvg: 4.46 atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } :: atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } ::sumAvg: 4.46 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } ::sumAvg: 3.645 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } :: atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } ::sumAvg: 4.48 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } ::sumAvg: 3.975 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } ::sumAvg: 3.905 atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } :: atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } ::sumAvg: 3.905 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } ::sumAvg: 4.92 atom: 462 40K-HG2 G 1.66 ambi=2 { CG:25.5 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } :: atom: 463 40K-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } ::sumAvg: 3.98 atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } ::sumAvg: 3.195 atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } :: atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } ::sumAvg: 4.21 atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } :: atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } ::sumAvg: 4.21 atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } ::sumAvg: 3.715 atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } atom: 696 61N-HD21 D2 7.79 ambi=2 { ND2:112.2 } :: atom: 464 40K-QD D 1.68 ambi=2 { CD:29.8 } atom: 697 61N-HD22 D2 7.07 ambi=2 { ND2:112.2 } ::sumAvg: 4.805 atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } ::sumAvg: 3.54 atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } :: atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } ::sumAvg: 4.32 atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } :: atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } ::sumAvg: 4.32 atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } ::sumAvg: 4.18 atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } atom: 696 61N-HD21 D2 7.79 ambi=2 { ND2:112.2 } :: atom: 466 40K-QE E 2.99 ambi=2 { CE:42.4 } atom: 697 61N-HD22 D2 7.07 ambi=2 { ND2:112.2 } ::sumAvg: 4.955 atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } ::sumAvg: 4.23 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } ::sumAvg: 4.555 atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } ::sumAvg: 4.185 atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } atom: 475 41F-H N 8.63 ambi=1 { N:120.4 } ::sumAvg: 4.865 atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 4.415 atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } ::sumAvg: 4.415 atom: 489 42D-HB2 B 2.75 ambi=2 { CB:47.6 } atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } :: atom: 490 42D-HB3 B 2.56 ambi=2 { CB:47.6 } atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } ::sumAvg: 4.35 atom: 476 41F-HA A 4.51 ambi=1 { CA:60.6 } atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } ::sumAvg: 4.94 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } ::sumAvg: 4.47 atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 488 42D-HA A 5.6 ambi=1 { CA:55.3 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 4.47 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } :: atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } ::sumAvg: 4.665 atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } :: atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 4.665 atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 4.37 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } ::sumAvg: 4.975 atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 4.975 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } ::sumAvg: 3.77 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } :: atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } ::sumAvg: 2.825 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 2.825 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } ::sumAvg: 4.555 atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 4.555 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } ::sumAvg: 4.365 atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } :: atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } ::sumAvg: 4.365 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } ::sumAvg: 4.97 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } ::sumAvg: 3.13 atom: 477 41F-HB2 B 2.85 ambi=2 { CB:40.6 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } :: atom: 478 41F-HB3 B 2.34 ambi=2 { CB:40.6 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } ::sumAvg: 2.89 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } ::sumAvg: 4.405 atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } :: atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } ::sumAvg: 4.24 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 479 41F-QD D 6.53 ambi=3 { CD1:130.8 } ::sumAvg: 2.79 atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } atom: 487 42D-H N 9.07 ambi=1 { N:124 } ::sumAvg: 4.78 atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } atom: 487 42D-H N 9.07 ambi=1 { N:124 } :: atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } atom: 487 42D-H N 9.07 ambi=1 { N:124 } ::sumAvg: 4.625 atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } atom: 487 42D-H N 9.07 ambi=1 { N:124 } ::sumAvg: 4.775 atom: 675 59L-HD1 D1 0.91 ambi=2 { CD1:26.9 } atom: 487 42D-H N 9.07 ambi=1 { N:124 } :: atom: 676 59L-HD2 D2 0.81 ambi=2 { CD2:24.6 } atom: 487 42D-H N 9.07 ambi=1 { N:124 } ::sumAvg: 4.975 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } ::sumAvg: 4.39 atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } :: atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } ::sumAvg: 4.315 atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } :: atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } ::sumAvg: 4.315 atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } atom: 647 57I-H N 8.94 ambi=1 { N:117.7 } ::sumAvg: 4.75 atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.235 atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } ::sumAvg: 4.775 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } ::sumAvg: 4.775 atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } atom: 649 57I-HB B 1.53 ambi=1 { CB:43.4 } ::sumAvg: 4.855 atom: 649 57I-HB B 1.53 ambi=1 { CB:43.4 } atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } ::sumAvg: 4.855 atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } :: atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } ::sumAvg: 4.59 atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } :: atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } ::sumAvg: 4.59 atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } atom: 647 57I-H N 8.94 ambi=1 { N:117.7 } ::sumAvg: 3.345 atom: 675 59L-HD1 D1 0.91 ambi=2 { CD1:26.9 } atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } :: atom: 676 59L-HD2 D2 0.81 ambi=2 { CD2:24.6 } atom: 497 43I-HB B 2.02 ambi=1 { CB:38.9 } ::sumAvg: 4.01 atom: 496 43I-HA A 5.53 ambi=1 { CA:60.7 } atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } ::sumAvg: 2.95 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } ::sumAvg: 4.955 atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } :: atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } ::sumAvg: 4.795 atom: 648 57I-HA A 4.7 ambi=1 { CA:58.7 } atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } ::sumAvg: 4.96 atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } ::sumAvg: 3.495 atom: 674 59L-HG G 1.63 ambi=1 { CG:27.5 } atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } ::sumAvg: 4.425 atom: 675 59L-HD1 D1 0.91 ambi=2 { CD1:26.9 } atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } :: atom: 676 59L-HD2 D2 0.81 ambi=2 { CD2:24.6 } atom: 495 43I-H N 9.16 ambi=1 { N:128.3 } ::sumAvg: 3.83 atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } ::sumAvg: 2.93 atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } ::sumAvg: 4.93 atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } :: atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } ::sumAvg: 4.765 atom: 627 55K-HB3 B 1.76 ambi=2 { CB:32.8 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } :: atom: 626 55K-HB2 B 2 ambi=2 { CB:32.8 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } ::sumAvg: 4.535 atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } :: atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } ::sumAvg: 3.56 atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } :: atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.85 atom: 652 57I-HG2 G2 0.87 ambi=1 { CG2:16.1 } atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } ::sumAvg: 3.36 atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } atom: 674 59L-HG G 1.63 ambi=1 { CG:27.5 } ::sumAvg: 4.49 atom: 674 59L-HG G 1.63 ambi=1 { CG:27.5 } atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } ::sumAvg: 4.49 atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } :: atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } ::sumAvg: 4.58 atom: 498 43I-HG12 G1 1.77 ambi=2 { CG1:26.9 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } :: atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } ::sumAvg: 3.79 atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } ::sumAvg: 4.235 atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } atom: 499 43I-HG13 G1 1.16 ambi=2 { CG1:26.9 } ::sumAvg: 4.235 atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } ::sumAvg: 3.81 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } ::sumAvg: 3.81 atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } :: atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } ::sumAvg: 4.965 atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } ::sumAvg: 4.83 atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } ::sumAvg: 4.83 atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } :: atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } ::sumAvg: 4.17 atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } :: atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } ::sumAvg: 4.17 atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } ::sumAvg: 4.96 atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } atom: 500 43I-HG2 G2 0.84 ambi=1 { CG2:16.9 } ::sumAvg: 4.96 atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.725 atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } atom: 647 57I-H N 8.94 ambi=1 { N:117.7 } ::sumAvg: 4.695 atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } ::sumAvg: 4.715 atom: 772 67M-HG2 G 1.83 ambi=2 { CG:31.8 } atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } :: atom: 773 67M-HG3 G 1.65 ambi=2 { CG:31.8 } atom: 501 43I-HD1 D1 0.89 ambi=1 { CD1:13.9 } ::sumAvg: 4.98 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 2.91 atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } :: atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 3.06 atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.855 atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } :: atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } atom: 509 44R-H N 8.71 ambi=1 { N:124.6 } ::sumAvg: 4.7 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } ::sumAvg: 2.275 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } :: atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } ::sumAvg: 2.405 atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } :: atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } ::sumAvg: 2.405 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } ::sumAvg: 4.42 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } ::sumAvg: 4.02 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 641 56G-H N 7.91 ambi=1 { N:110 } ::sumAvg: 4.09 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } :: atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } ::sumAvg: 2.34 atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } :: atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } ::sumAvg: 2.34 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 647 57I-H N 8.94 ambi=1 { N:117.7 } ::sumAvg: 3.57 atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } atom: 652 57I-HG2 G2 0.87 ambi=1 { CG2:16.1 } ::sumAvg: 4.96 atom: 652 57I-HG2 G2 0.87 ambi=1 { CG2:16.1 } atom: 510 44R-HA A 4.81 ambi=1 { CA:55.9 } ::sumAvg: 4.96 atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } :: atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } atom: 517 45A-H N 7.53 ambi=1 { N:124.4 } ::sumAvg: 3.11 atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } :: atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } ::sumAvg: 4.46 atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } :: atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } ::sumAvg: 4.46 atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } :: atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } ::sumAvg: 3.925 atom: 511 44R-HB2 B 1.82 ambi=2 { CB:34 } atom: 647 57I-H N 8.94 ambi=1 { N:117.7 } :: atom: 512 44R-HB3 B 1.66 ambi=2 { CB:34 } atom: 647 57I-H N 8.94 ambi=1 { N:117.7 } ::sumAvg: 4.5 atom: 548 48P-HG2 G 2.07 ambi=2 { CG:27.2 } atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } :: atom: 549 48P-HG3 G 1.95 ambi=2 { CG:27.2 } atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } :: atom: 548 48P-HG2 G 2.07 ambi=2 { CG:27.2 } atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } :: atom: 549 48P-HG3 G 1.95 ambi=2 { CG:27.2 } atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } ::sumAvg: 4.75 atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } :: atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } ::sumAvg: 2.835 atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } atom: 594 52K-HD2 D 1.85 ambi=2 { CD:29.3 } :: atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } atom: 595 52K-HD3 D 1.72 ambi=2 { CD:29.3 } :: atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } atom: 594 52K-HD2 D 1.85 ambi=2 { CD:29.3 } :: atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } atom: 595 52K-HD3 D 1.72 ambi=2 { CD:29.3 } ::sumAvg: 4.685 atom: 594 52K-HD2 D 1.85 ambi=2 { CD:29.3 } atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } :: atom: 595 52K-HD3 D 1.72 ambi=2 { CD:29.3 } atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } :: atom: 594 52K-HD2 D 1.85 ambi=2 { CD:29.3 } atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } :: atom: 595 52K-HD3 D 1.72 ambi=2 { CD:29.3 } atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } ::sumAvg: 4.685 atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } ::sumAvg: 4.385 atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } ::sumAvg: 4.385 atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } atom: 526 46W-HB2 B 2.8 ambi=2 { CB:34.4 } :: atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } atom: 527 46W-HB3 B 2.66 ambi=2 { CB:34.4 } ::sumAvg: 4.45 atom: 526 46W-HB2 B 2.8 ambi=2 { CB:34.4 } atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } :: atom: 527 46W-HB3 B 2.66 ambi=2 { CB:34.4 } atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } ::sumAvg: 4.45 atom: 518 45A-HA A 5.88 ambi=1 { CA:50.8 } atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } ::sumAvg: 3.395 atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } ::sumAvg: 4.07 atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } ::sumAvg: 4.07 atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } ::sumAvg: 4.725 atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } atom: 626 55K-HB2 B 2 ambi=2 { CB:32.8 } ::sumAvg: 3.67 atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } atom: 641 56G-H N 7.91 ambi=1 { N:110 } ::sumAvg: 4.96 atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } :: atom: 519 45A-HB B 1.53 ambi=1 { CB:21.4 } atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } ::sumAvg: 4.735 atom: 526 46W-HB2 B 2.8 ambi=2 { CB:34.4 } atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } :: atom: 527 46W-HB3 B 2.66 ambi=2 { CB:34.4 } atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } ::sumAvg: 2.97 atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 524 46W-H N 9.23 ambi=1 { N:120.8 } ::sumAvg: 4.935 atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } :: atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } ::sumAvg: 4.28 atom: 526 46W-HB2 B 2.8 ambi=2 { CB:34.4 } atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } :: atom: 527 46W-HB3 B 2.66 ambi=2 { CB:34.4 } atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } ::sumAvg: 2.465 atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } ::sumAvg: 4.105 atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } ::sumAvg: 4.82 atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } atom: 525 46W-HA A 4.64 ambi=1 { CA:56.3 } ::sumAvg: 4.82 atom: 526 46W-HB2 B 2.8 ambi=2 { CB:34.4 } atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } :: atom: 527 46W-HB3 B 2.66 ambi=2 { CB:34.4 } atom: 528 46W-HD1 D1 7.07 ambi=1 { CD1:126.9 } ::sumAvg: 2.585 atom: 526 46W-HB2 B 2.8 ambi=2 { CB:34.4 } atom: 529 46W-HE1 E1 10.54 ambi=1 { NE1:129.1 } :: atom: 527 46W-HB3 B 2.66 ambi=2 { CB:34.4 } atom: 529 46W-HE1 E1 10.54 ambi=1 { NE1:129.1 } ::sumAvg: 4.81 atom: 526 46W-HB2 B 2.8 ambi=2 { CB:34.4 } atom: 538 47S-H N 7.42 ambi=1 { N:116.2 } :: atom: 527 46W-HB3 B 2.66 ambi=2 { CB:34.4 } atom: 538 47S-H N 7.42 ambi=1 { N:116.2 } ::sumAvg: 2.73 atom: 526 46W-HB2 B 2.8 ambi=2 { CB:34.4 } atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } :: atom: 527 46W-HB3 B 2.66 ambi=2 { CB:34.4 } atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } ::sumAvg: 4.455 atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 526 46W-HB2 B 2.8 ambi=2 { CB:34.4 } :: atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 527 46W-HB3 B 2.66 ambi=2 { CB:34.4 } ::sumAvg: 4.455 atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 538 47S-H N 7.42 ambi=1 { N:116.2 } ::sumAvg: 2.835 atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } atom: 538 47S-H N 7.42 ambi=1 { N:116.2 } :: atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } atom: 538 47S-H N 7.42 ambi=1 { N:116.2 } ::sumAvg: 3.475 atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 540 47S-HB2 B 3.76 ambi=2 { CB:61.1 } :: atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 541 47S-HB3 B 2.7 ambi=2 { CB:61.1 } ::sumAvg: 2.37 atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 545 48P-HA A 4.21 ambi=1 { CA:65.4 } ::sumAvg: 4.64 atom: 545 48P-HA A 4.21 ambi=1 { CA:65.4 } atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } ::sumAvg: 4.64 atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 548 48P-HG2 G 2.07 ambi=2 { CG:27.2 } :: atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 549 48P-HG3 G 1.95 ambi=2 { CG:27.2 } ::sumAvg: 4.975 atom: 548 48P-HG2 G 2.07 ambi=2 { CG:27.2 } atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } :: atom: 549 48P-HG3 G 1.95 ambi=2 { CG:27.2 } atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } ::sumAvg: 4.975 atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } :: atom: 539 47S-HA A 4.8 ambi=1 { CA:56.4 } atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } ::sumAvg: 2.955 atom: 581 51T-HB B 4.3 ambi=1 { CB:70.3 } atom: 588 52K-H N 7.88 ambi=1 { N:121.6 } ::sumAvg: 3.335 atom: 581 51T-HB B 4.3 ambi=1 { CB:70.3 } atom: 592 52K-QG G 1.49 ambi=2 { CG:24.9 } ::sumAvg: 4.67 atom: 592 52K-QG G 1.49 ambi=2 { CG:24.9 } atom: 581 51T-HB B 4.3 ambi=1 { CB:70.3 } ::sumAvg: 4.67 atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } atom: 589 52K-HA A 4.72 ambi=1 { CA:54.7 } ::sumAvg: 4.485 atom: 589 52K-HA A 4.72 ambi=1 { CA:54.7 } atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } ::sumAvg: 4.485 atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } atom: 590 52K-HB2 B 1.91 ambi=2 { CB:35.9 } ::sumAvg: 4.455 atom: 590 52K-HB2 B 1.91 ambi=2 { CB:35.9 } atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } ::sumAvg: 4.455 atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } atom: 596 52K-QE E 3.06 ambi=2 { CE:42.4 } ::sumAvg: 4.69 atom: 596 52K-QE E 3.06 ambi=2 { CE:42.4 } atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } ::sumAvg: 4.69 atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } atom: 605 53M-H N 8.45 ambi=1 { N:118.1 } ::sumAvg: 4.695 atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } atom: 545 48P-HA A 4.21 ambi=1 { CA:65.4 } :: atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } atom: 545 48P-HA A 4.21 ambi=1 { CA:65.4 } ::sumAvg: 3.585 atom: 545 48P-HA A 4.21 ambi=1 { CA:65.4 } atom: 558 49D-HA A 4.69 ambi=1 { CA:52.6 } ::sumAvg: 4.415 atom: 558 49D-HA A 4.69 ambi=1 { CA:52.6 } atom: 545 48P-HA A 4.21 ambi=1 { CA:65.4 } ::sumAvg: 4.415 atom: 546 48P-HB2 B 2.33 ambi=2 { CB:31.5 } atom: 559 49D-HB2 B 3.05 ambi=2 { CB:40.5 } :: atom: 547 48P-HB3 B 1.8 ambi=2 { CB:31.5 } atom: 559 49D-HB2 B 3.05 ambi=2 { CB:40.5 } :: atom: 547 48P-HB3 B 1.8 ambi=2 { CB:31.5 } atom: 560 49D-HB3 B 2.58 ambi=2 { CB:40.5 } ::sumAvg: 4.695 atom: 559 49D-HB2 B 3.05 ambi=2 { CB:40.5 } atom: 546 48P-HB2 B 2.33 ambi=2 { CB:31.5 } :: atom: 559 49D-HB2 B 3.05 ambi=2 { CB:40.5 } atom: 547 48P-HB3 B 1.8 ambi=2 { CB:31.5 } :: atom: 560 49D-HB3 B 2.58 ambi=2 { CB:40.5 } atom: 547 48P-HB3 B 1.8 ambi=2 { CB:31.5 } ::sumAvg: 4.695 atom: 546 48P-HB2 B 2.33 ambi=2 { CB:31.5 } atom: 565 50H-H N 8.28 ambi=1 { N:111.8 } :: atom: 547 48P-HB3 B 1.8 ambi=2 { CB:31.5 } atom: 565 50H-H N 8.28 ambi=1 { N:111.8 } ::sumAvg: 4.785 atom: 548 48P-HG2 G 2.07 ambi=2 { CG:27.2 } atom: 557 49D-H N 7.35 ambi=1 { N:111.7 } :: atom: 549 48P-HG3 G 1.95 ambi=2 { CG:27.2 } atom: 557 49D-H N 7.35 ambi=1 { N:111.7 } ::sumAvg: 3.715 atom: 550 48P-HD2 D 3.37 ambi=2 { CD:49.7 } atom: 557 49D-H N 7.35 ambi=1 { N:111.7 } :: atom: 551 48P-HD3 D 2.77 ambi=2 { CD:49.7 } atom: 557 49D-H N 7.35 ambi=1 { N:111.7 } ::sumAvg: 4.065 atom: 558 49D-HA A 4.69 ambi=1 { CA:52.6 } atom: 565 50H-H N 8.28 ambi=1 { N:111.8 } ::sumAvg: 2.86 atom: 558 49D-HA A 4.69 ambi=1 { CA:52.6 } atom: 566 50H-HA A 3.82 ambi=1 { CA:60.4 } ::sumAvg: 4.805 atom: 566 50H-HA A 3.82 ambi=1 { CA:60.4 } atom: 558 49D-HA A 4.69 ambi=1 { CA:52.6 } ::sumAvg: 4.805 atom: 559 49D-HB2 B 3.05 ambi=2 { CB:40.5 } atom: 579 51T-H N 7.77 ambi=1 { N:105.6 } :: atom: 560 49D-HB3 B 2.58 ambi=2 { CB:40.5 } atom: 579 51T-H N 7.77 ambi=1 { N:105.6 } ::sumAvg: 4.855 atom: 566 50H-HA A 3.82 ambi=1 { CA:60.4 } atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } ::sumAvg: 4.62 atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } atom: 566 50H-HA A 3.82 ambi=1 { CA:60.4 } ::sumAvg: 4.62 atom: 566 50H-HA A 3.82 ambi=1 { CA:60.4 } atom: 580 51T-HA A 4.56 ambi=1 { CA:63.2 } ::sumAvg: 4.745 atom: 580 51T-HA A 4.56 ambi=1 { CA:63.2 } atom: 566 50H-HA A 3.82 ambi=1 { CA:60.4 } ::sumAvg: 4.745 atom: 566 50H-HA A 3.82 ambi=1 { CA:60.4 } atom: 588 52K-H N 7.88 ambi=1 { N:121.6 } ::sumAvg: 4.985 atom: 567 50H-HB2 B 3.3 ambi=2 { CB:25.6 } atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } :: atom: 568 50H-HB3 B 3.13 ambi=2 { CB:25.6 } atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } ::sumAvg: 4.48 atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } atom: 567 50H-HB2 B 3.3 ambi=2 { CB:25.6 } :: atom: 582 51T-HG2 G2 1.14 ambi=1 { CG2:21.4 } atom: 568 50H-HB3 B 3.13 ambi=2 { CB:25.6 } ::sumAvg: 4.48 atom: 567 50H-HB2 B 3.3 ambi=2 { CB:25.6 } atom: 569 50H-HD2 D2 5.94 ambi=1 { CD2:117.8 } :: atom: 568 50H-HB3 B 3.13 ambi=2 { CB:25.6 } atom: 569 50H-HD2 D2 5.94 ambi=1 { CD2:117.8 } ::sumAvg: 3.28 atom: 567 50H-HB2 B 3.3 ambi=2 { CB:25.6 } atom: 570 50H-HE1 E1 8.15 ambi=1 { CE1:136.1 } :: atom: 568 50H-HB3 B 3.13 ambi=2 { CB:25.6 } atom: 570 50H-HE1 E1 8.15 ambi=1 { CE1:136.1 } ::sumAvg: 4.74 atom: 567 50H-HB2 B 3.3 ambi=2 { CB:25.6 } atom: 579 51T-H N 7.77 ambi=1 { N:105.6 } :: atom: 568 50H-HB3 B 3.13 ambi=2 { CB:25.6 } atom: 579 51T-H N 7.77 ambi=1 { N:105.6 } ::sumAvg: 3.185 atom: 592 52K-QG G 1.49 ambi=2 { CG:24.9 } atom: 579 51T-H N 7.77 ambi=1 { N:105.6 } ::sumAvg: 4.99 atom: 580 51T-HA A 4.56 ambi=1 { CA:63.2 } atom: 592 52K-QG G 1.49 ambi=2 { CG:24.9 } ::sumAvg: 4.76 atom: 592 52K-QG G 1.49 ambi=2 { CG:24.9 } atom: 580 51T-HA A 4.56 ambi=1 { CA:63.2 } ::sumAvg: 4.76 atom: 606 53M-HA A 4.4 ambi=1 { CA:53.7 } atom: 611 53M-HE E 1.43 ambi=1 { CE:17 } ::sumAvg: 4.175 atom: 611 53M-HE E 1.43 ambi=1 { CE:17 } atom: 606 53M-HA A 4.4 ambi=1 { CA:53.7 } ::sumAvg: 4.175 atom: 606 53M-HA A 4.4 ambi=1 { CA:53.7 } atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } ::sumAvg: 4.42 atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } atom: 606 53M-HA A 4.4 ambi=1 { CA:53.7 } ::sumAvg: 4.42 atom: 607 53M-HB2 B 1.05 ambi=2 { CB:35.3 } atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } :: atom: 607 53M-HB2 B 1.05 ambi=2 { CB:35.3 } atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } :: atom: 608 53M-HB3 B 0.97 ambi=2 { CB:35.3 } atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } :: atom: 608 53M-HB3 B 0.97 ambi=2 { CB:35.3 } atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } ::sumAvg: 4.655 atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } atom: 607 53M-HB2 B 1.05 ambi=2 { CB:35.3 } :: atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } atom: 607 53M-HB2 B 1.05 ambi=2 { CB:35.3 } :: atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } atom: 608 53M-HB3 B 0.97 ambi=2 { CB:35.3 } :: atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } atom: 608 53M-HB3 B 0.97 ambi=2 { CB:35.3 } ::sumAvg: 4.655 atom: 606 53M-HA A 4.4 ambi=1 { CA:53.7 } atom: 588 52K-H N 7.88 ambi=1 { N:121.6 } ::sumAvg: 4.78 atom: 589 52K-HA A 4.72 ambi=1 { CA:54.7 } atom: 607 53M-HB2 B 1.05 ambi=2 { CB:35.3 } :: atom: 589 52K-HA A 4.72 ambi=1 { CA:54.7 } atom: 608 53M-HB3 B 0.97 ambi=2 { CB:35.3 } ::sumAvg: 4.97 atom: 607 53M-HB2 B 1.05 ambi=2 { CB:35.3 } atom: 589 52K-HA A 4.72 ambi=1 { CA:54.7 } :: atom: 608 53M-HB3 B 0.97 ambi=2 { CB:35.3 } atom: 589 52K-HA A 4.72 ambi=1 { CA:54.7 } ::sumAvg: 4.97 atom: 589 52K-HA A 4.72 ambi=1 { CA:54.7 } atom: 594 52K-HD2 D 1.85 ambi=2 { CD:29.3 } :: atom: 589 52K-HA A 4.72 ambi=1 { CA:54.7 } atom: 595 52K-HD3 D 1.72 ambi=2 { CD:29.3 } ::sumAvg: 3.38 atom: 589 52K-HA A 4.72 ambi=1 { CA:54.7 } atom: 596 52K-QE E 3.06 ambi=2 { CE:42.4 } ::sumAvg: 4.37 atom: 596 52K-QE E 3.06 ambi=2 { CE:42.4 } atom: 589 52K-HA A 4.72 ambi=1 { CA:54.7 } ::sumAvg: 4.37 atom: 590 52K-HB2 B 1.91 ambi=2 { CB:35.9 } atom: 606 53M-HA A 4.4 ambi=1 { CA:53.7 } :: atom: 591 52K-HB3 B 1.46 ambi=2 { CB:35.9 } atom: 606 53M-HA A 4.4 ambi=1 { CA:53.7 } ::sumAvg: 4.89 atom: 606 53M-HA A 4.4 ambi=1 { CA:53.7 } atom: 590 52K-HB2 B 1.91 ambi=2 { CB:35.9 } :: atom: 606 53M-HA A 4.4 ambi=1 { CA:53.7 } atom: 591 52K-HB3 B 1.46 ambi=2 { CB:35.9 } ::sumAvg: 4.89 atom: 590 52K-HB2 B 1.91 ambi=2 { CB:35.9 } atom: 607 53M-HB2 B 1.05 ambi=2 { CB:35.3 } :: atom: 590 52K-HB2 B 1.91 ambi=2 { CB:35.9 } atom: 608 53M-HB3 B 0.97 ambi=2 { CB:35.3 } :: atom: 591 52K-HB3 B 1.46 ambi=2 { CB:35.9 } atom: 607 53M-HB2 B 1.05 ambi=2 { CB:35.3 } :: atom: 591 52K-HB3 B 1.46 ambi=2 { CB:35.9 } atom: 608 53M-HB3 B 0.97 ambi=2 { CB:35.3 } ::sumAvg: 4.71 atom: 590 52K-HB2 B 1.91 ambi=2 { CB:35.9 } atom: 618 54G-H N 8.33 ambi=1 { N:110.6 } :: atom: 591 52K-HB3 B 1.46 ambi=2 { CB:35.9 } atom: 618 54G-H N 8.33 ambi=1 { N:110.6 } ::sumAvg: 4.8 atom: 596 52K-QE E 3.06 ambi=2 { CE:42.4 } atom: 605 53M-H N 8.45 ambi=1 { N:118.1 } ::sumAvg: 4.935 atom: 611 53M-HE E 1.43 ambi=1 { CE:17 } atom: 618 54G-H N 8.33 ambi=1 { N:110.6 } ::sumAvg: 4.515 atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } atom: 625 55K-HA A 4.24 ambi=1 { CA:56.9 } ::sumAvg: 4.51 atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } atom: 627 55K-HB3 B 1.76 ambi=2 { CB:32.8 } :: atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } atom: 626 55K-HB2 B 2 ambi=2 { CB:32.8 } :: atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } atom: 627 55K-HB3 B 1.76 ambi=2 { CB:32.8 } :: atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } atom: 626 55K-HB2 B 2 ambi=2 { CB:32.8 } ::sumAvg: 4.6 atom: 627 55K-HB3 B 1.76 ambi=2 { CB:32.8 } atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } :: atom: 626 55K-HB2 B 2 ambi=2 { CB:32.8 } atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } :: atom: 627 55K-HB3 B 1.76 ambi=2 { CB:32.8 } atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } :: atom: 626 55K-HB2 B 2 ambi=2 { CB:32.8 } atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } ::sumAvg: 4.6 atom: 619 54G-HA2 A 4.51 ambi=2 { CA:43.3 } atom: 641 56G-H N 7.91 ambi=1 { N:110 } :: atom: 620 54G-HA3 A 3.66 ambi=2 { CA:43.3 } atom: 641 56G-H N 7.91 ambi=1 { N:110 } ::sumAvg: 4.905 atom: 628 55K-HG2 G 1.52 ambi=2 { CG:25.7 } atom: 618 54G-H N 8.33 ambi=1 { N:110.6 } :: atom: 629 55K-HG3 G 1.46 ambi=2 { CG:25.7 } atom: 618 54G-H N 8.33 ambi=1 { N:110.6 } ::sumAvg: 4.49 atom: 625 55K-HA A 4.24 ambi=1 { CA:56.9 } atom: 618 54G-H N 8.33 ambi=1 { N:110.6 } ::sumAvg: 4.725 atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } atom: 624 55K-H N 8.46 ambi=1 { N:121.6 } :: atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } atom: 624 55K-H N 8.46 ambi=1 { N:121.6 } ::sumAvg: 4.9 atom: 625 55K-HA A 4.24 ambi=1 { CA:56.9 } atom: 632 55K-QE E 2.95 ambi=2 { CE:42.2 } ::sumAvg: 4.305 atom: 627 55K-HB3 B 1.76 ambi=2 { CB:32.8 } atom: 632 55K-QE E 2.95 ambi=2 { CE:42.2 } :: atom: 626 55K-HB2 B 2 ambi=2 { CB:32.8 } atom: 632 55K-QE E 2.95 ambi=2 { CE:42.2 } ::sumAvg: 3.04 atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } atom: 627 55K-HB3 B 1.76 ambi=2 { CB:32.8 } :: atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } atom: 627 55K-HB3 B 1.76 ambi=2 { CB:32.8 } :: atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } atom: 626 55K-HB2 B 2 ambi=2 { CB:32.8 } :: atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } atom: 626 55K-HB2 B 2 ambi=2 { CB:32.8 } ::sumAvg: 4.39 atom: 652 57I-HG2 G2 0.87 ambi=1 { CG2:16.1 } atom: 650 57I-HG12 G1 1.68 ambi=2 { CG1:29 } ::sumAvg: 2.275 atom: 653 57I-HD1 D1 0.93 ambi=1 { CD1:14.5 } atom: 650 57I-HG12 G1 1.68 ambi=2 { CG1:29 } ::sumAvg: 2.125 atom: 650 57I-HG12 G1 1.68 ambi=2 { CG1:29 } atom: 663 58T-HB B 3.78 ambi=1 { CB:70.3 } :: atom: 651 57I-HG13 G1 1.15 ambi=2 { CG1:29 } atom: 663 58T-HB B 3.78 ambi=1 { CB:70.3 } ::sumAvg: 4.56 atom: 650 57I-HG12 G1 1.68 ambi=2 { CG1:29 } atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } :: atom: 651 57I-HG13 G1 1.15 ambi=2 { CG1:29 } atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } ::sumAvg: 4.615 atom: 650 57I-HG12 G1 1.68 ambi=2 { CG1:29 } atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } :: atom: 651 57I-HG13 G1 1.15 ambi=2 { CG1:29 } atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } ::sumAvg: 4.265 atom: 674 59L-HG G 1.63 ambi=1 { CG:27.5 } atom: 651 57I-HG13 G1 1.15 ambi=2 { CG1:29 } ::sumAvg: 3.28 atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } atom: 648 57I-HA A 4.7 ambi=1 { CA:58.7 } :: atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } atom: 648 57I-HA A 4.7 ambi=1 { CA:58.7 } ::sumAvg: 4.33 atom: 648 57I-HA A 4.7 ambi=1 { CA:58.7 } atom: 642 56G-HA2 A 4.27 ambi=2 { CA:46.8 } :: atom: 648 57I-HA A 4.7 ambi=1 { CA:58.7 } atom: 643 56G-HA3 A 4.15 ambi=2 { CA:46.8 } ::sumAvg: 4.33 atom: 650 57I-HG12 G1 1.68 ambi=2 { CG1:29 } atom: 647 57I-H N 8.94 ambi=1 { N:117.7 } :: atom: 651 57I-HG13 G1 1.15 ambi=2 { CG1:29 } atom: 647 57I-H N 8.94 ambi=1 { N:117.7 } ::sumAvg: 4.58 atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } atom: 647 57I-H N 8.94 ambi=1 { N:117.7 } ::sumAvg: 4.71 atom: 653 57I-HD1 D1 0.93 ambi=1 { CD1:14.5 } atom: 648 57I-HA A 4.7 ambi=1 { CA:58.7 } ::sumAvg: 2.89 atom: 648 57I-HA A 4.7 ambi=1 { CA:58.7 } atom: 663 58T-HB B 3.78 ambi=1 { CB:70.3 } ::sumAvg: 4.59 atom: 663 58T-HB B 3.78 ambi=1 { CB:70.3 } atom: 648 57I-HA A 4.7 ambi=1 { CA:58.7 } ::sumAvg: 4.59 atom: 648 57I-HA A 4.7 ambi=1 { CA:58.7 } atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } ::sumAvg: 4.36 atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } atom: 648 57I-HA A 4.7 ambi=1 { CA:58.7 } ::sumAvg: 4.36 atom: 652 57I-HG2 G2 0.87 ambi=1 { CG2:16.1 } atom: 670 59L-H N 9.32 ambi=1 { N:126.3 } ::sumAvg: 4.38 atom: 652 57I-HG2 G2 0.87 ambi=1 { CG2:16.1 } atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } ::sumAvg: 4.97 atom: 652 57I-HG2 G2 0.87 ambi=1 { CG2:16.1 } atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } :: atom: 652 57I-HG2 G2 0.87 ambi=1 { CG2:16.1 } atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } ::sumAvg: 4.84 atom: 652 57I-HG2 G2 0.87 ambi=1 { CG2:16.1 } atom: 674 59L-HG G 1.63 ambi=1 { CG:27.5 } ::sumAvg: 2.735 atom: 653 57I-HD1 D1 0.93 ambi=1 { CD1:14.5 } atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } ::sumAvg: 4.88 atom: 653 57I-HD1 D1 0.93 ambi=1 { CD1:14.5 } atom: 674 59L-HG G 1.63 ambi=1 { CG:27.5 } ::sumAvg: 4.105 atom: 663 58T-HB B 3.78 ambi=1 { CB:70.3 } atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } ::sumAvg: 4.84 atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } atom: 663 58T-HB B 3.78 ambi=1 { CB:70.3 } ::sumAvg: 4.84 atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } ::sumAvg: 3.675 atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } ::sumAvg: 3.675 atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } ::sumAvg: 4.495 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } ::sumAvg: 4.495 atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } atom: 675 59L-HD1 D1 0.91 ambi=2 { CD1:26.9 } :: atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } atom: 676 59L-HD2 D2 0.81 ambi=2 { CD2:24.6 } ::sumAvg: 4.41 atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } atom: 684 60S-H N 9.63 ambi=1 { N:118.1 } ::sumAvg: 4.475 atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } ::sumAvg: 4.295 atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } atom: 664 58T-HG2 G2 1.38 ambi=1 { CG2:24.4 } ::sumAvg: 4.295 atom: 674 59L-HG G 1.63 ambi=1 { CG:27.5 } atom: 661 58T-H N 8.26 ambi=1 { N:123.1 } ::sumAvg: 4.66 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } ::sumAvg: 4.535 atom: 675 59L-HD1 D1 0.91 ambi=2 { CD1:26.9 } atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } :: atom: 676 59L-HD2 D2 0.81 ambi=2 { CD2:24.6 } atom: 662 58T-HA A 5.26 ambi=1 { CA:61.4 } ::sumAvg: 3.71 atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } ::sumAvg: 4.36 atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } ::sumAvg: 4.36 atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } :: atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } ::sumAvg: 4.42 atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } :: atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } ::sumAvg: 4.42 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 671 59L-HA A 5.12 ambi=1 { CA:53 } ::sumAvg: 3.825 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 684 60S-H N 9.63 ambi=1 { N:118.1 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 684 60S-H N 9.63 ambi=1 { N:118.1 } ::sumAvg: 2.84 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } ::sumAvg: 4.745 atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } :: atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } ::sumAvg: 4.745 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 715 63E-H N 8.07 ambi=1 { N:121.6 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 715 63E-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 4.865 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } ::sumAvg: 3.39 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } :: atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } ::sumAvg: 3.39 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } ::sumAvg: 3.33 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } ::sumAvg: 3.71 atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } :: atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } ::sumAvg: 3.71 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } ::sumAvg: 2.64 atom: 672 59L-HB2 B 1.85 ambi=2 { CB:46 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } :: atom: 673 59L-HB3 B 1.75 ambi=2 { CB:46 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } ::sumAvg: 4.06 atom: 674 59L-HG G 1.63 ambi=1 { CG:27.5 } atom: 684 60S-H N 9.63 ambi=1 { N:118.1 } ::sumAvg: 4.79 atom: 674 59L-HG G 1.63 ambi=1 { CG:27.5 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } ::sumAvg: 4.16 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 675 59L-HD1 D1 0.91 ambi=2 { CD1:26.9 } :: atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 676 59L-HD2 D2 0.81 ambi=2 { CD2:24.6 } ::sumAvg: 2.89 atom: 675 59L-HD1 D1 0.91 ambi=2 { CD1:26.9 } atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } :: atom: 675 59L-HD1 D1 0.91 ambi=2 { CD1:26.9 } atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } :: atom: 676 59L-HD2 D2 0.81 ambi=2 { CD2:24.6 } atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } :: atom: 676 59L-HD2 D2 0.81 ambi=2 { CD2:24.6 } atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } ::sumAvg: 4.1 atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } atom: 675 59L-HD1 D1 0.91 ambi=2 { CD1:26.9 } :: atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } atom: 675 59L-HD1 D1 0.91 ambi=2 { CD1:26.9 } :: atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } atom: 676 59L-HD2 D2 0.81 ambi=2 { CD2:24.6 } :: atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } atom: 676 59L-HD2 D2 0.81 ambi=2 { CD2:24.6 } ::sumAvg: 4.1 atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 675 59L-HD1 D1 0.91 ambi=2 { CD1:26.9 } :: atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 676 59L-HD2 D2 0.81 ambi=2 { CD2:24.6 } ::sumAvg: 3.73 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 684 60S-H N 9.63 ambi=1 { N:118.1 } ::sumAvg: 2.72 atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } atom: 684 60S-H N 9.63 ambi=1 { N:118.1 } :: atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } atom: 684 60S-H N 9.63 ambi=1 { N:118.1 } ::sumAvg: 4.365 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 684 60S-H N 9.63 ambi=1 { N:118.1 } ::sumAvg: 4.545 atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } ::sumAvg: 4.62 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } ::sumAvg: 4.62 atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } atom: 715 63E-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 4.81 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } ::sumAvg: 4.65 atom: 685 60S-HA A 4.61 ambi=1 { CA:57 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } ::sumAvg: 4.975 atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } atom: 704 62E-H N 8.95 ambi=1 { N:119.4 } :: atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } atom: 704 62E-H N 8.95 ambi=1 { N:119.4 } ::sumAvg: 3.545 atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } atom: 706 62E-HB2 B 2.1 ambi=2 { CB:29 } :: atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } atom: 707 62E-HB3 B 2 ambi=2 { CB:29 } :: atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } atom: 706 62E-HB2 B 2.1 ambi=2 { CB:29 } :: atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } atom: 707 62E-HB3 B 2 ambi=2 { CB:29 } ::sumAvg: 4.025 atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } :: atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } ::sumAvg: 3.415 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } :: atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } ::sumAvg: 3.415 atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } atom: 715 63E-H N 8.07 ambi=1 { N:121.6 } :: atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } atom: 715 63E-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 3.67 atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } :: atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } :: atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } :: atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } ::sumAvg: 4.4 atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } :: atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } :: atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } :: atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } ::sumAvg: 4.4 atom: 686 60S-HB2 B 4.54 ambi=2 { CB:65.6 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } :: atom: 687 60S-HB3 B 4.1 ambi=2 { CB:65.6 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } ::sumAvg: 4.895 atom: 706 62E-HB2 B 2.1 ambi=2 { CB:29 } atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } :: atom: 707 62E-HB3 B 2 ambi=2 { CB:29 } atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } ::sumAvg: 4.81 atom: 708 62E-HG2 G 2.51 ambi=2 { CG:36.5 } atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } :: atom: 709 62E-HG3 G 2.34 ambi=2 { CG:36.5 } atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } ::sumAvg: 4.915 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 692 61N-H N 9.54 ambi=1 { N:121.1 } ::sumAvg: 4.71 atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } atom: 696 61N-HD21 D2 7.79 ambi=2 { ND2:112.2 } :: atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } atom: 697 61N-HD22 D2 7.07 ambi=2 { ND2:112.2 } ::sumAvg: 4.245 atom: 705 62E-HA A 4.08 ambi=1 { CA:60.4 } atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } ::sumAvg: 4.73 atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } atom: 715 63E-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 4.66 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } ::sumAvg: 2.85 atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } ::sumAvg: 3.71 atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } ::sumAvg: 4.58 atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } atom: 744 65Q-H N 8.33 ambi=1 { N:117 } ::sumAvg: 3.97 atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } :: atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } ::sumAvg: 4.76 atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } :: atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } atom: 693 61N-HA A 4.64 ambi=1 { CA:57.2 } ::sumAvg: 4.76 atom: 705 62E-HA A 4.08 ambi=1 { CA:60.4 } atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } :: atom: 705 62E-HA A 4.08 ambi=1 { CA:60.4 } atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } ::sumAvg: 4.175 atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } atom: 708 62E-HG2 G 2.51 ambi=2 { CG:36.5 } :: atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } atom: 709 62E-HG3 G 2.34 ambi=2 { CG:36.5 } :: atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } atom: 708 62E-HG2 G 2.51 ambi=2 { CG:36.5 } :: atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } atom: 709 62E-HG3 G 2.34 ambi=2 { CG:36.5 } ::sumAvg: 3.855 atom: 708 62E-HG2 G 2.51 ambi=2 { CG:36.5 } atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } :: atom: 709 62E-HG3 G 2.34 ambi=2 { CG:36.5 } atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } :: atom: 708 62E-HG2 G 2.51 ambi=2 { CG:36.5 } atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } :: atom: 709 62E-HG3 G 2.34 ambi=2 { CG:36.5 } atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } ::sumAvg: 3.855 atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } :: atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } ::sumAvg: 4.45 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } :: atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } ::sumAvg: 4.45 atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } atom: 744 65Q-H N 8.33 ambi=1 { N:117 } :: atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } atom: 744 65Q-H N 8.33 ambi=1 { N:117 } ::sumAvg: 4.71 atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } :: atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } :: atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } :: atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } ::sumAvg: 4.48 atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } :: atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } atom: 694 61N-HB2 B 3.01 ambi=2 { CB:37.5 } :: atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } :: atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } atom: 695 61N-HB3 B 2.97 ambi=2 { CB:37.5 } ::sumAvg: 4.48 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 704 62E-H N 8.95 ambi=1 { N:119.4 } ::sumAvg: 4.56 atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } atom: 704 62E-H N 8.95 ambi=1 { N:119.4 } :: atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } atom: 704 62E-H N 8.95 ambi=1 { N:119.4 } ::sumAvg: 4.925 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 704 62E-H N 8.95 ambi=1 { N:119.4 } ::sumAvg: 4.77 atom: 705 62E-HA A 4.08 ambi=1 { CA:60.4 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } ::sumAvg: 4.52 atom: 706 62E-HB2 B 2.1 ambi=2 { CB:29 } atom: 716 63E-HA A 3.92 ambi=1 { CA:59.2 } :: atom: 707 62E-HB3 B 2 ambi=2 { CB:29 } atom: 716 63E-HA A 3.92 ambi=1 { CA:59.2 } ::sumAvg: 4.17 atom: 707 62E-HB3 B 2 ambi=2 { CB:29 } atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } ::sumAvg: 3.765 atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } atom: 707 62E-HB3 B 2 ambi=2 { CB:29 } ::sumAvg: 3.765 atom: 706 62E-HB2 B 2.1 ambi=2 { CB:29 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } :: atom: 707 62E-HB3 B 2 ambi=2 { CB:29 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } ::sumAvg: 4.945 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } ::sumAvg: 2.285 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } ::sumAvg: 3.885 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } ::sumAvg: 3.885 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } ::sumAvg: 2.535 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } ::sumAvg: 3.83 atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } ::sumAvg: 3.83 atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } ::sumAvg: 4.22 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } ::sumAvg: 4.445 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 759 66T-H N 8.1 ambi=1 { N:117 } ::sumAvg: 4.79 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 768 67M-H N 7.47 ambi=1 { N:121.7 } ::sumAvg: 4.815 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 715 63E-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 2.34 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 715 63E-H N 8.07 ambi=1 { N:121.6 } ::sumAvg: 4.26 atom: 717 63E-QB B 1.75 ambi=2 { CB:30.8 } atom: 716 63E-HA A 3.92 ambi=1 { CA:59.2 } ::sumAvg: 2.38 atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } atom: 716 63E-HA A 3.92 ambi=1 { CA:59.2 } :: atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } atom: 716 63E-HA A 3.92 ambi=1 { CA:59.2 } ::sumAvg: 2.45 atom: 716 63E-HA A 3.92 ambi=1 { CA:59.2 } atom: 744 65Q-H N 8.33 ambi=1 { N:117 } ::sumAvg: 4.6 atom: 762 66T-HG2 G2 1.23 ambi=1 { CG2:21.6 } atom: 716 63E-HA A 3.92 ambi=1 { CA:59.2 } ::sumAvg: 3.915 atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } :: atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } ::sumAvg: 4.48 atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } :: atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } ::sumAvg: 4.685 atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } atom: 719 63E-HG2 G 2.45 ambi=2 { CG:37.5 } :: atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } atom: 720 63E-HG3 G 2.09 ambi=2 { CG:37.5 } ::sumAvg: 4.685 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 732 64F-QE E 6.6 ambi=3 { CE1:130.2 } ::sumAvg: 3.92 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 745 65Q-HA A 3.64 ambi=1 { CA:58.3 } ::sumAvg: 3.92 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } :: atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } ::sumAvg: 4.01 atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } :: atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } ::sumAvg: 4.01 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 759 66T-H N 8.1 ambi=1 { N:117 } ::sumAvg: 4.675 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } ::sumAvg: 3.945 atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } ::sumAvg: 3.945 atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } :: atom: 728 64F-QB B 2.57 ambi=2 { CB:40.2 } atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } ::sumAvg: 4.165 atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } :: atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } atom: 726 64F-H N 8.71 ambi=1 { N:118.9 } ::sumAvg: 4.895 atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } atom: 759 66T-H N 8.1 ambi=1 { N:117 } ::sumAvg: 4.36 atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } atom: 781 68V-H N 7.79 ambi=1 { N:117.3 } ::sumAvg: 4.325 atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } ::sumAvg: 3.37 atom: 772 67M-HG2 G 1.83 ambi=2 { CG:31.8 } atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } :: atom: 773 67M-HG3 G 1.65 ambi=2 { CG:31.8 } atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } ::sumAvg: 3.71 atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } :: atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } ::sumAvg: 3.905 atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } :: atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } atom: 727 64F-HA A 3.73 ambi=1 { CA:62.4 } ::sumAvg: 3.905 atom: 760 66T-HA A 3.75 ambi=1 { CA:67.1 } atom: 781 68V-H N 7.79 ambi=1 { N:117.3 } ::sumAvg: 4.43 atom: 760 66T-HA A 3.75 ambi=1 { CA:67.1 } atom: 769 67M-HA A 3.34 ambi=1 { CA:59.7 } ::sumAvg: 4.76 atom: 769 67M-HA A 3.34 ambi=1 { CA:59.7 } atom: 760 66T-HA A 3.75 ambi=1 { CA:67.1 } ::sumAvg: 4.76 atom: 802 70A-HB B 1.22 ambi=1 { CB:19.3 } atom: 760 66T-HA A 3.75 ambi=1 { CA:67.1 } ::sumAvg: 4.525 atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } atom: 769 67M-HA A 3.34 ambi=1 { CA:59.7 } ::sumAvg: 4.315 atom: 769 67M-HA A 3.34 ambi=1 { CA:59.7 } atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } ::sumAvg: 4.315 atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } ::sumAvg: 4.3 atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } ::sumAvg: 4.3 atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } :: atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } ::sumAvg: 4.97 atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } ::sumAvg: 4.915 atom: 772 67M-HG2 G 1.83 ambi=2 { CG:31.8 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } :: atom: 773 67M-HG3 G 1.65 ambi=2 { CG:31.8 } atom: 730 64F-QD D 6.34 ambi=3 { CD1:130.9 } ::sumAvg: 4.855 atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } atom: 744 65Q-H N 8.33 ambi=1 { N:117 } ::sumAvg: 4.91 atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } atom: 744 65Q-H N 8.33 ambi=1 { N:117 } :: atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } atom: 744 65Q-H N 8.33 ambi=1 { N:117 } ::sumAvg: 4.645 atom: 745 65Q-HA A 3.64 ambi=1 { CA:58.3 } atom: 768 67M-H N 7.47 ambi=1 { N:121.7 } ::sumAvg: 4.685 atom: 745 65Q-HA A 3.64 ambi=1 { CA:58.3 } atom: 792 69D-H N 8.21 ambi=1 { N:115.9 } ::sumAvg: 4.245 atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } atom: 760 66T-HA A 3.75 ambi=1 { CA:67.1 } :: atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } atom: 760 66T-HA A 3.75 ambi=1 { CA:67.1 } ::sumAvg: 4.065 atom: 760 66T-HA A 3.75 ambi=1 { CA:67.1 } atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } :: atom: 760 66T-HA A 3.75 ambi=1 { CA:67.1 } atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } ::sumAvg: 4.065 atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } :: atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } ::sumAvg: 4.925 atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } :: atom: 761 66T-HB B 4.35 ambi=1 { CB:68.3 } atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } ::sumAvg: 4.925 atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } atom: 750 65Q-HE21 E2 7.36 ambi=2 { NE2:112.5 } :: atom: 746 65Q-HB2 B 2.12 ambi=2 { CB:28.2 } atom: 751 65Q-HE22 E2 6.91 ambi=2 { NE2:112.5 } :: atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } atom: 750 65Q-HE21 E2 7.36 ambi=2 { NE2:112.5 } :: atom: 747 65Q-HB3 B 2.05 ambi=2 { CB:28.2 } atom: 751 65Q-HE22 E2 6.91 ambi=2 { NE2:112.5 } ::sumAvg: 4.305 atom: 748 65Q-HG2 G 2.44 ambi=2 { CG:33.7 } atom: 760 66T-HA A 3.75 ambi=1 { CA:67.1 } :: atom: 749 65Q-HG3 G 2.38 ambi=2 { CG:33.7 } atom: 760 66T-HA A 3.75 ambi=1 { CA:67.1 } ::sumAvg: 4.66 atom: 760 66T-HA A 3.75 ambi=1 { CA:67.1 } atom: 748 65Q-HG2 G 2.44 ambi=2 { CG:33.7 } :: atom: 760 66T-HA A 3.75 ambi=1 { CA:67.1 } atom: 749 65Q-HG3 G 2.38 ambi=2 { CG:33.7 } ::sumAvg: 4.66 atom: 783 68V-HB B 1.46 ambi=1 { CB:31.3 } atom: 748 65Q-HG2 G 2.44 ambi=2 { CG:33.7 } :: atom: 783 68V-HB B 1.46 ambi=1 { CB:31.3 } atom: 749 65Q-HG3 G 2.38 ambi=2 { CG:33.7 } ::sumAvg: 4.4 atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } atom: 748 65Q-HG2 G 2.44 ambi=2 { CG:33.7 } :: atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } atom: 748 65Q-HG2 G 2.44 ambi=2 { CG:33.7 } :: atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } atom: 749 65Q-HG3 G 2.38 ambi=2 { CG:33.7 } :: atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } atom: 749 65Q-HG3 G 2.38 ambi=2 { CG:33.7 } ::sumAvg: 4.915 atom: 748 65Q-HG2 G 2.44 ambi=2 { CG:33.7 } atom: 792 69D-H N 8.21 ambi=1 { N:115.9 } :: atom: 749 65Q-HG3 G 2.38 ambi=2 { CG:33.7 } atom: 792 69D-H N 8.21 ambi=1 { N:115.9 } ::sumAvg: 4.675 atom: 783 68V-HB B 1.46 ambi=1 { CB:31.3 } atom: 750 65Q-HE21 E2 7.36 ambi=2 { NE2:112.5 } :: atom: 783 68V-HB B 1.46 ambi=1 { CB:31.3 } atom: 751 65Q-HE22 E2 6.91 ambi=2 { NE2:112.5 } ::sumAvg: 4.045 atom: 793 69D-HA A 4.22 ambi=1 { CA:55.6 } atom: 750 65Q-HE21 E2 7.36 ambi=2 { NE2:112.5 } :: atom: 793 69D-HA A 4.22 ambi=1 { CA:55.6 } atom: 751 65Q-HE22 E2 6.91 ambi=2 { NE2:112.5 } ::sumAvg: 4.605 atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 759 66T-H N 8.1 ambi=1 { N:117 } ::sumAvg: 4.68 atom: 794 69D-HB2 B 2.75 ambi=2 { CB:37.7 } atom: 781 68V-H N 7.79 ambi=1 { N:117.3 } :: atom: 795 69D-HB3 B 2.65 ambi=2 { CB:37.7 } atom: 781 68V-H N 7.79 ambi=1 { N:117.3 } ::sumAvg: 4.915 atom: 802 70A-HB B 1.22 ambi=1 { CB:19.3 } atom: 781 68V-H N 7.79 ambi=1 { N:117.3 } ::sumAvg: 4.875 atom: 762 66T-HG2 G2 1.23 ambi=1 { CG2:21.6 } atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } ::sumAvg: 4.28 atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 762 66T-HG2 G2 1.23 ambi=1 { CG2:21.6 } ::sumAvg: 4.28 atom: 762 66T-HG2 G2 1.23 ambi=1 { CG2:21.6 } atom: 794 69D-HB2 B 2.75 ambi=2 { CB:37.7 } :: atom: 762 66T-HG2 G2 1.23 ambi=1 { CG2:21.6 } atom: 795 69D-HB3 B 2.65 ambi=2 { CB:37.7 } ::sumAvg: 4.27 atom: 762 66T-HG2 G2 1.23 ambi=1 { CG2:21.6 } atom: 792 69D-H N 8.21 ambi=1 { N:115.9 } ::sumAvg: 4.78 atom: 769 67M-HA A 3.34 ambi=1 { CA:59.7 } atom: 782 68V-HA A 2.62 ambi=1 { CA:66.6 } ::sumAvg: 4.765 atom: 769 67M-HA A 3.34 ambi=1 { CA:59.7 } atom: 792 69D-H N 8.21 ambi=1 { N:115.9 } ::sumAvg: 4.485 atom: 769 67M-HA A 3.34 ambi=1 { CA:59.7 } atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } ::sumAvg: 3.745 atom: 769 67M-HA A 3.34 ambi=1 { CA:59.7 } atom: 807 71F-H N 7.65 ambi=1 { N:116.2 } ::sumAvg: 3.905 atom: 769 67M-HA A 3.34 ambi=1 { CA:59.7 } atom: 813 71F-QE E 7 ambi=3 { CE1:130.5 } ::sumAvg: 3.805 atom: 769 67M-HA A 3.34 ambi=1 { CA:59.7 } atom: 815 71F-HZ Z 6.9 ambi=1 { CZ:128.6 } ::sumAvg: 4.98 atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } :: atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } ::sumAvg: 3.78 atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 782 68V-HA A 2.62 ambi=1 { CA:66.6 } ::sumAvg: 4.13 atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 802 70A-HB B 1.22 ambi=1 { CB:19.3 } ::sumAvg: 4.26 atom: 802 70A-HB B 1.22 ambi=1 { CB:19.3 } atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } ::sumAvg: 4.26 atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } ::sumAvg: 3.575 atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 807 71F-H N 7.65 ambi=1 { N:116.2 } ::sumAvg: 4.95 atom: 809 71F-HB2 B 3.3 ambi=2 { CB:38.3 } atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } :: atom: 810 71F-HB3 B 3.01 ambi=2 { CB:38.3 } atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } ::sumAvg: 4.815 atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 813 71F-QE E 7 ambi=3 { CE1:130.5 } ::sumAvg: 3.21 atom: 770 67M-QB B 1.65 ambi=2 { CB:32.9 } atom: 815 71F-HZ Z 6.9 ambi=1 { CZ:128.6 } ::sumAvg: 4.14 atom: 772 67M-HG2 G 1.83 ambi=2 { CG:31.8 } atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } :: atom: 772 67M-HG2 G 1.83 ambi=2 { CG:31.8 } atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } :: atom: 773 67M-HG3 G 1.65 ambi=2 { CG:31.8 } atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } :: atom: 773 67M-HG3 G 1.65 ambi=2 { CG:31.8 } atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } ::sumAvg: 3.705 atom: 772 67M-HG2 G 1.83 ambi=2 { CG:31.8 } atom: 782 68V-HA A 2.62 ambi=1 { CA:66.6 } :: atom: 773 67M-HG3 G 1.65 ambi=2 { CG:31.8 } atom: 782 68V-HA A 2.62 ambi=1 { CA:66.6 } ::sumAvg: 4.66 atom: 772 67M-HG2 G 1.83 ambi=2 { CG:31.8 } atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } :: atom: 773 67M-HG3 G 1.65 ambi=2 { CG:31.8 } atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } ::sumAvg: 3.7 atom: 772 67M-HG2 G 1.83 ambi=2 { CG:31.8 } atom: 815 71F-HZ Z 6.9 ambi=1 { CZ:128.6 } :: atom: 773 67M-HG3 G 1.65 ambi=2 { CG:31.8 } atom: 815 71F-HZ Z 6.9 ambi=1 { CZ:128.6 } ::sumAvg: 4.9 atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } atom: 782 68V-HA A 2.62 ambi=1 { CA:66.6 } ::sumAvg: 4.12 atom: 774 67M-HE E 1.65 ambi=1 { CE:17 } atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } ::sumAvg: 3.7 atom: 783 68V-HB B 1.46 ambi=1 { CB:31.3 } atom: 793 69D-HA A 4.22 ambi=1 { CA:55.6 } ::sumAvg: 4.48 atom: 793 69D-HA A 4.22 ambi=1 { CA:55.6 } atom: 783 68V-HB B 1.46 ambi=1 { CB:31.3 } ::sumAvg: 4.48 atom: 783 68V-HB B 1.46 ambi=1 { CB:31.3 } atom: 794 69D-HB2 B 2.75 ambi=2 { CB:37.7 } :: atom: 783 68V-HB B 1.46 ambi=1 { CB:31.3 } atom: 795 69D-HB3 B 2.65 ambi=2 { CB:37.7 } ::sumAvg: 4.825 atom: 794 69D-HB2 B 2.75 ambi=2 { CB:37.7 } atom: 783 68V-HB B 1.46 ambi=1 { CB:31.3 } :: atom: 795 69D-HB3 B 2.65 ambi=2 { CB:37.7 } atom: 783 68V-HB B 1.46 ambi=1 { CB:31.3 } ::sumAvg: 4.825 atom: 794 69D-HB2 B 2.75 ambi=2 { CB:37.7 } atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } :: atom: 795 69D-HB3 B 2.65 ambi=2 { CB:37.7 } atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } :: atom: 794 69D-HB2 B 2.75 ambi=2 { CB:37.7 } atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } :: atom: 795 69D-HB3 B 2.65 ambi=2 { CB:37.7 } atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } ::sumAvg: 4.71 atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } atom: 807 71F-H N 7.65 ambi=1 { N:116.2 } :: atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } atom: 807 71F-H N 7.65 ambi=1 { N:116.2 } ::sumAvg: 4.905 atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } atom: 825 72K-H N 7.9 ambi=1 { N:118.3 } :: atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } atom: 825 72K-H N 7.9 ambi=1 { N:118.3 } ::sumAvg: 4.14 atom: 829 72K-HG2 G 1.58 ambi=2 { CG:25.4 } atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } :: atom: 830 72K-HG3 G 1.49 ambi=2 { CG:25.4 } atom: 784 68V-HG1 G1 0.42 ambi=2 { CG1:21.4 } :: atom: 829 72K-HG2 G 1.58 ambi=2 { CG:25.4 } atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } :: atom: 830 72K-HG3 G 1.49 ambi=2 { CG:25.4 } atom: 785 68V-HG2 G2 -0.29 ambi=2 { CG2:21.8 } ::sumAvg: 4.49 atom: 783 68V-HB B 1.46 ambi=1 { CB:31.3 } atom: 782 68V-HA A 2.62 ambi=1 { CA:66.6 } ::sumAvg: 3.025 atom: 782 68V-HA A 2.62 ambi=1 { CA:66.6 } atom: 793 69D-HA A 4.22 ambi=1 { CA:55.6 } ::sumAvg: 4.715 atom: 809 71F-HB2 B 3.3 ambi=2 { CB:38.3 } atom: 782 68V-HA A 2.62 ambi=1 { CA:66.6 } ::sumAvg: 3.115 atom: 782 68V-HA A 2.62 ambi=1 { CA:66.6 } atom: 825 72K-H N 7.9 ambi=1 { N:118.3 } ::sumAvg: 3.955 atom: 782 68V-HA A 2.62 ambi=1 { CA:66.6 } atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } ::sumAvg: 4.53 atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } atom: 782 68V-HA A 2.62 ambi=1 { CA:66.6 } ::sumAvg: 4.53 atom: 793 69D-HA A 4.22 ambi=1 { CA:55.6 } atom: 807 71F-H N 7.65 ambi=1 { N:116.2 } ::sumAvg: 4.495 atom: 793 69D-HA A 4.22 ambi=1 { CA:55.6 } atom: 831 72K-QD D 1.66 ambi=2 { CD:29.4 } ::sumAvg: 3.08 atom: 793 69D-HA A 4.22 ambi=1 { CA:55.6 } atom: 842 73G-H N 7.73 ambi=1 { N:107 } ::sumAvg: 4.45 atom: 794 69D-HB2 B 2.75 ambi=2 { CB:37.7 } atom: 801 70A-HA A 4.05 ambi=1 { CA:54.4 } :: atom: 795 69D-HB3 B 2.65 ambi=2 { CB:37.7 } atom: 801 70A-HA A 4.05 ambi=1 { CA:54.4 } ::sumAvg: 4.225 atom: 801 70A-HA A 4.05 ambi=1 { CA:54.4 } atom: 794 69D-HB2 B 2.75 ambi=2 { CB:37.7 } :: atom: 801 70A-HA A 4.05 ambi=1 { CA:54.4 } atom: 795 69D-HB3 B 2.65 ambi=2 { CB:37.7 } ::sumAvg: 4.225 atom: 794 69D-HB2 B 2.75 ambi=2 { CB:37.7 } atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } :: atom: 795 69D-HB3 B 2.65 ambi=2 { CB:37.7 } atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } ::sumAvg: 4.77 atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } atom: 794 69D-HB2 B 2.75 ambi=2 { CB:37.7 } :: atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } atom: 795 69D-HB3 B 2.65 ambi=2 { CB:37.7 } ::sumAvg: 4.77 atom: 794 69D-HB2 B 2.75 ambi=2 { CB:37.7 } atom: 831 72K-QD D 1.66 ambi=2 { CD:29.4 } :: atom: 795 69D-HB3 B 2.65 ambi=2 { CB:37.7 } atom: 831 72K-QD D 1.66 ambi=2 { CD:29.4 } ::sumAvg: 4.685 atom: 831 72K-QD D 1.66 ambi=2 { CD:29.4 } atom: 794 69D-HB2 B 2.75 ambi=2 { CB:37.7 } :: atom: 831 72K-QD D 1.66 ambi=2 { CD:29.4 } atom: 795 69D-HB3 B 2.65 ambi=2 { CB:37.7 } ::sumAvg: 4.685 atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } atom: 792 69D-H N 8.21 ambi=1 { N:115.9 } ::sumAvg: 4.83 atom: 809 71F-HB2 B 3.3 ambi=2 { CB:38.3 } atom: 802 70A-HB B 1.22 ambi=1 { CB:19.3 } :: atom: 810 71F-HB3 B 3.01 ambi=2 { CB:38.3 } atom: 802 70A-HB B 1.22 ambi=1 { CB:19.3 } ::sumAvg: 4.36 atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } atom: 802 70A-HB B 1.22 ambi=1 { CB:19.3 } :: atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } atom: 802 70A-HB B 1.22 ambi=1 { CB:19.3 } ::sumAvg: 4.6 atom: 802 70A-HB B 1.22 ambi=1 { CB:19.3 } atom: 842 73G-H N 7.73 ambi=1 { N:107 } ::sumAvg: 4.615 atom: 809 71F-HB2 B 3.3 ambi=2 { CB:38.3 } atom: 800 70A-H N 7.51 ambi=1 { N:122.1 } :: atom: 810 71F-HB3 B 3.01 ambi=2 { CB:38.3 } atom: 800 70A-H N 7.51 ambi=1 { N:122.1 } ::sumAvg: 4.855 atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } atom: 800 70A-H N 7.51 ambi=1 { N:122.1 } ::sumAvg: 4.97 atom: 801 70A-HA A 4.05 ambi=1 { CA:54.4 } atom: 808 71F-HA A 4.62 ambi=1 { CA:57.8 } ::sumAvg: 4.675 atom: 808 71F-HA A 4.62 ambi=1 { CA:57.8 } atom: 801 70A-HA A 4.05 ambi=1 { CA:54.4 } ::sumAvg: 4.675 atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } :: atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } atom: 811 71F-QD D 7.15 ambi=3 { CD1:131.3 } ::sumAvg: 4.25 atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } atom: 807 71F-H N 7.65 ambi=1 { N:116.2 } ::sumAvg: 4.405 atom: 808 71F-HA A 4.62 ambi=1 { CA:57.8 } atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } :: atom: 808 71F-HA A 4.62 ambi=1 { CA:57.8 } atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } ::sumAvg: 3.735 atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } atom: 808 71F-HA A 4.62 ambi=1 { CA:57.8 } :: atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } atom: 808 71F-HA A 4.62 ambi=1 { CA:57.8 } ::sumAvg: 3.735 atom: 808 71F-HA A 4.62 ambi=1 { CA:57.8 } atom: 813 71F-QE E 7 ambi=3 { CE1:130.5 } ::sumAvg: 4.22 atom: 808 71F-HA A 4.62 ambi=1 { CA:57.8 } atom: 826 72K-HA A 4.18 ambi=1 { CA:58.4 } ::sumAvg: 4.715 atom: 808 71F-HA A 4.62 ambi=1 { CA:57.8 } atom: 842 73G-H N 7.73 ambi=1 { N:107 } ::sumAvg: 3.88 atom: 808 71F-HA A 4.62 ambi=1 { CA:57.8 } atom: 848 74N-H N 8.26 ambi=1 { N:118.7 } ::sumAvg: 3.11 atom: 808 71F-HA A 4.62 ambi=1 { CA:57.8 } atom: 859 75L-H N 8.35 ambi=1 { N:122.3 } ::sumAvg: 4.105 atom: 809 71F-HB2 B 3.3 ambi=2 { CB:38.3 } atom: 813 71F-QE E 7 ambi=3 { CE1:130.5 } :: atom: 810 71F-HB3 B 3.01 ambi=2 { CB:38.3 } atom: 813 71F-QE E 7 ambi=3 { CE1:130.5 } ::sumAvg: 4.395 atom: 809 71F-HB2 B 3.3 ambi=2 { CB:38.3 } atom: 826 72K-HA A 4.18 ambi=1 { CA:58.4 } :: atom: 810 71F-HB3 B 3.01 ambi=2 { CB:38.3 } atom: 826 72K-HA A 4.18 ambi=1 { CA:58.4 } ::sumAvg: 4.49 atom: 809 71F-HB2 B 3.3 ambi=2 { CB:38.3 } atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } :: atom: 810 71F-HB3 B 3.01 ambi=2 { CB:38.3 } atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } ::sumAvg: 4.495 atom: 809 71F-HB2 B 3.3 ambi=2 { CB:38.3 } atom: 848 74N-H N 8.26 ambi=1 { N:118.7 } :: atom: 810 71F-HB3 B 3.01 ambi=2 { CB:38.3 } atom: 848 74N-H N 8.26 ambi=1 { N:118.7 } ::sumAvg: 4.9 atom: 809 71F-HB2 B 3.3 ambi=2 { CB:38.3 } atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } :: atom: 810 71F-HB3 B 3.01 ambi=2 { CB:38.3 } atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } ::sumAvg: 3.525 atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } atom: 809 71F-HB2 B 3.3 ambi=2 { CB:38.3 } :: atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } atom: 810 71F-HB3 B 3.01 ambi=2 { CB:38.3 } ::sumAvg: 3.525 atom: 809 71F-HB2 B 3.3 ambi=2 { CB:38.3 } atom: 864 75L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 809 71F-HB2 B 3.3 ambi=2 { CB:38.3 } atom: 865 75L-HD2 D2 0.78 ambi=2 { CD2:24.1 } :: atom: 810 71F-HB3 B 3.01 ambi=2 { CB:38.3 } atom: 864 75L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 810 71F-HB3 B 3.01 ambi=2 { CB:38.3 } atom: 865 75L-HD2 D2 0.78 ambi=2 { CD2:24.1 } ::sumAvg: 3.4 atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } :: atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } ::sumAvg: 3.915 atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } :: atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } ::sumAvg: 3.915 atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } atom: 864 75L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } atom: 865 75L-HD2 D2 0.78 ambi=2 { CD2:24.1 } :: atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } atom: 864 75L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } atom: 865 75L-HD2 D2 0.78 ambi=2 { CD2:24.1 } ::sumAvg: 3.82 atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } atom: 813 71F-QE E 7 ambi=3 { CE1:130.5 } ::sumAvg: 4.965 atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } atom: 825 72K-H N 7.9 ambi=1 { N:118.3 } :: atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } atom: 825 72K-H N 7.9 ambi=1 { N:118.3 } ::sumAvg: 4.85 atom: 833 72K-QE E 2.96 ambi=2 { CE:42.1 } atom: 826 72K-HA A 4.18 ambi=1 { CA:58.4 } ::sumAvg: 4.89 atom: 826 72K-HA A 4.18 ambi=1 { CA:58.4 } atom: 848 74N-H N 8.26 ambi=1 { N:118.7 } ::sumAvg: 4.03 atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } :: atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } ::sumAvg: 4.43 atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } :: atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } ::sumAvg: 4.43 atom: 827 72K-QB B 1.87 ambi=2 { CB:32.8 } atom: 848 74N-H N 8.26 ambi=1 { N:118.7 } ::sumAvg: 4.73 atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } atom: 829 72K-HG2 G 1.58 ambi=2 { CG:25.4 } :: atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } atom: 829 72K-HG2 G 1.58 ambi=2 { CG:25.4 } :: atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } atom: 830 72K-HG3 G 1.49 ambi=2 { CG:25.4 } :: atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } atom: 830 72K-HG3 G 1.49 ambi=2 { CG:25.4 } ::sumAvg: 3.905 atom: 831 72K-QD D 1.66 ambi=2 { CD:29.4 } atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } :: atom: 831 72K-QD D 1.66 ambi=2 { CD:29.4 } atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } ::sumAvg: 4.15 atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } atom: 831 72K-QD D 1.66 ambi=2 { CD:29.4 } :: atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } atom: 831 72K-QD D 1.66 ambi=2 { CD:29.4 } ::sumAvg: 4.15 atom: 833 72K-QE E 2.96 ambi=2 { CE:42.1 } atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } :: atom: 833 72K-QE E 2.96 ambi=2 { CE:42.1 } atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } ::sumAvg: 4.965 atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } atom: 833 72K-QE E 2.96 ambi=2 { CE:42.1 } :: atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } atom: 833 72K-QE E 2.96 ambi=2 { CE:42.1 } ::sumAvg: 4.965 atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } atom: 842 73G-H N 7.73 ambi=1 { N:107 } :: atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } atom: 842 73G-H N 7.73 ambi=1 { N:107 } ::sumAvg: 4.825 atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } :: atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } :: atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } :: atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } ::sumAvg: 4.78 atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } :: atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } :: atom: 850 74N-HB2 B 2.84 ambi=2 { CB:38.7 } atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } :: atom: 851 74N-HB3 B 2.73 ambi=2 { CB:38.7 } atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } ::sumAvg: 4.78 atom: 849 74N-HA A 4.69 ambi=1 { CA:53.5 } atom: 843 73G-HA2 A 4.11 ambi=2 { CA:45.2 } :: atom: 849 74N-HA A 4.69 ambi=1 { CA:53.5 } atom: 844 73G-HA3 A 3.82 ambi=2 { CA:45.2 } ::sumAvg: 4.46 atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } atom: 848 74N-H N 8.26 ambi=1 { N:118.7 } ::sumAvg: 4.275 atom: 849 74N-HA A 4.69 ambi=1 { CA:53.5 } atom: 860 75L-HA A 4.2 ambi=1 { CA:55.8 } ::sumAvg: 4.425 atom: 860 75L-HA A 4.2 ambi=1 { CA:55.8 } atom: 849 74N-HA A 4.69 ambi=1 { CA:53.5 } ::sumAvg: 4.425 atom: 874 76E-HA A 4.16 ambi=1 { CA:56.4 } atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } ::sumAvg: 4.405 atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } atom: 877 76E-HG2 G 2.22 ambi=2 { CG:35.3 } :: atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } atom: 878 76E-HG3 G 2.14 ambi=2 { CG:35.3 } ::sumAvg: 4.8 atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } atom: 852 74N-HD21 D2 7.58 ambi=2 { ND2:112.8 } :: atom: 861 75L-QB B 1.56 ambi=2 { CB:42.2 } atom: 853 74N-HD22 D2 6.93 ambi=2 { ND2:112.8 } ::sumAvg: 4.905 atom: 874 76E-HA A 4.16 ambi=1 { CA:56.4 } atom: 863 75L-HG G 1.57 ambi=1 { CG:27.1 } ::sumAvg: 4.85 atom: 875 76E-QB B 1.87 ambi=2 { CB:29.9 } atom: 864 75L-HD1 D1 0.86 ambi=2 { CD1:25.2 } :: atom: 875 76E-QB B 1.87 ambi=2 { CB:29.9 } atom: 865 75L-HD2 D2 0.78 ambi=2 { CD2:24.1 } ::sumAvg: 4.865 atom: 874 76E-HA A 4.16 ambi=1 { CA:56.4 } atom: 885 77H-HA A 4.62 ambi=1 { CA:55.1 } ::sumAvg: 4.575 atom: 885 77H-HA A 4.62 ambi=1 { CA:55.1 } atom: 874 76E-HA A 4.16 ambi=1 { CA:56.4 } ::sumAvg: 4.575 atom: 885 77H-HA A 4.62 ambi=1 { CA:55.1 } atom: 875 76E-QB B 1.87 ambi=2 { CB:29.9 } ::sumAvg: 4.385 atom: 886 77H-HB2 B 3.16 ambi=2 { CB:28.9 } atom: 875 76E-QB B 1.87 ambi=2 { CB:29.9 } :: atom: 887 77H-HB3 B 3.05 ambi=2 { CB:28.9 } atom: 875 76E-QB B 1.87 ambi=2 { CB:29.9 } ::sumAvg: 4.695 atom: 875 76E-QB B 1.87 ambi=2 { CB:29.9 } atom: 888 77H-HD2 D2 7.23 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.855 atom: 875 76E-QB B 1.87 ambi=2 { CB:29.9 } atom: 893 78H-H N 8.52 ambi=1 { N:119.1 } ::sumAvg: 4.58 atom: 877 76E-HG2 G 2.22 ambi=2 { CG:35.3 } atom: 893 78H-H N 8.52 ambi=1 { N:119.1 } :: atom: 878 76E-HG3 G 2.14 ambi=2 { CG:35.3 } atom: 893 78H-H N 8.52 ambi=1 { N:119.1 } ::sumAvg: 4.49 atom: 885 77H-HA A 4.62 ambi=1 { CA:55.1 } atom: 888 77H-HD2 D2 7.23 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.57 atom: 926 82H-HA A 4.41 ambi=1 { CA:57.1 } atom: 917 81H-H N 8.56 ambi=1 { N:120.8 } ::sumAvg: 4.66 atom: 926 82H-HA A 4.41 ambi=1 { CA:57.1 } atom: 919 81H-QB B 3.19 ambi=2 { CB:29.3 } ::sumAvg: 4.29