# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 9 2A-H N 8.3 ambi=1 { N:120.7 } atom: 267 30F-QD D 7 ambi=3 { CD1:131 } ::sumAvg: 4.91 atom: 9 2A-H N 8.3 ambi=1 { N:120.7 } atom: 269 30F-QE E 7.04 ambi=3 { CE1:130.8 } ::sumAvg: 4.185 atom: 246 29F-H N 7.8 ambi=1 { N:117 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } ::sumAvg: 4.91 atom: 15 3L-H N 8.11 ambi=1 { N:120.4 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 4.93 atom: 263 30F-H N 8.84 ambi=1 { N:120.7 } atom: 15 3L-H N 8.11 ambi=1 { N:120.4 } ::sumAvg: 3.975 atom: 15 3L-H N 8.11 ambi=1 { N:120.4 } atom: 267 30F-QD D 7 ambi=3 { CD1:131 } ::sumAvg: 4.185 atom: 263 30F-H N 8.84 ambi=1 { N:120.7 } atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 4.97 atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } :: atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } ::sumAvg: 4.825 atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } ::sumAvg: 4.725 atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } ::sumAvg: 4.42 atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } ::sumAvg: 4.755 atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } ::sumAvg: 4.675 atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 4.85 atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } ::sumAvg: 4.285 atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } ::sumAvg: 4.745 atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } ::sumAvg: 4.83 atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } ::sumAvg: 4.445 atom: 36 5L-H N 9 ambi=1 { N:128.4 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } ::sumAvg: 3.535 atom: 36 5L-H N 9 ambi=1 { N:128.4 } atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } ::sumAvg: 4.98 atom: 36 5L-H N 9 ambi=1 { N:128.4 } atom: 289 32V-HB B 1.09 ambi=1 { CB:33.9 } ::sumAvg: 4.835 atom: 36 5L-H N 9 ambi=1 { N:128.4 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.99 atom: 287 32V-H N 8.23 ambi=1 { N:126.8 } atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } ::sumAvg: 4.82 atom: 144 17A-H N 7.84 ambi=1 { N:125 } atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } :: atom: 144 17A-H N 7.84 ambi=1 { N:125 } atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } ::sumAvg: 4.625 atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } ::sumAvg: 4.67 atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } atom: 287 32V-H N 8.23 ambi=1 { N:126.8 } ::sumAvg: 4.835 atom: 287 32V-H N 8.23 ambi=1 { N:126.8 } atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } ::sumAvg: 4.835 atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } atom: 289 32V-HB B 1.09 ambi=1 { CB:33.9 } ::sumAvg: 4.83 atom: 287 32V-H N 8.23 ambi=1 { N:126.8 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.755 atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.56 atom: 465 50V-H N 7.7 ambi=1 { N:120 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 3.655 atom: 475 51L-H N 8.85 ambi=1 { N:128.4 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.785 atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.15 atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } ::sumAvg: 4.39 atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } ::sumAvg: 4.17 atom: 64 7Q-H N 8.51 ambi=1 { N:118.2 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } ::sumAvg: 4.675 atom: 64 7Q-H N 8.51 ambi=1 { N:118.2 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 4.645 atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } ::sumAvg: 4.73 atom: 79 8R-HE E 7.57 ambi=1 { NE:83.9 } atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } :: atom: 79 8R-HE E 7.57 ambi=1 { NE:83.9 } atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } ::sumAvg: 3.59 atom: 79 8R-HE E 7.57 ambi=1 { NE:83.9 } atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } :: atom: 79 8R-HE E 7.57 ambi=1 { NE:83.9 } atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } ::sumAvg: 2.985 atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } :: atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } ::sumAvg: 3.23 atom: 92 10D-H N 8.31 ambi=1 { N:120 } atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } :: atom: 92 10D-H N 8.31 ambi=1 { N:120 } atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } ::sumAvg: 4.665 atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } :: atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } ::sumAvg: 4.425 atom: 327 35D-H N 8.09 ambi=1 { N:115.7 } atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } :: atom: 327 35D-H N 8.09 ambi=1 { N:115.7 } atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } ::sumAvg: 4.59 atom: 79 8R-HE E 7.57 ambi=1 { NE:83.9 } atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } :: atom: 79 8R-HE E 7.57 ambi=1 { NE:83.9 } atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } ::sumAvg: 2.68 atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } :: atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } ::sumAvg: 4.42 atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } atom: 92 10D-H N 8.31 ambi=1 { N:120 } ::sumAvg: 3.7 atom: 92 10D-H N 8.31 ambi=1 { N:120 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } ::sumAvg: 3.7 atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } ::sumAvg: 4.92 atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } :: atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } ::sumAvg: 4.745 atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 3.27 atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } ::sumAvg: 3.805 atom: 92 10D-H N 8.31 ambi=1 { N:120 } atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } ::sumAvg: 4.29 atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } ::sumAvg: 3.9 atom: 99 11C-H N 8.02 ambi=1 { N:122 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } ::sumAvg: 4.775 atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } atom: 99 11C-H N 8.02 ambi=1 { N:122 } ::sumAvg: 4.775 atom: 99 11C-H N 8.02 ambi=1 { N:122 } atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } :: atom: 99 11C-H N 8.02 ambi=1 { N:122 } atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } ::sumAvg: 3.75 atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } ::sumAvg: 4.485 atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } ::sumAvg: 2.8 atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } :: atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } ::sumAvg: 4.53 atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } ::sumAvg: 4 atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } ::sumAvg: 4 atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } atom: 131 16Q-H N 7.39 ambi=1 { N:120 } ::sumAvg: 4.685 atom: 131 16Q-H N 7.39 ambi=1 { N:120 } atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } ::sumAvg: 4.685 atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } atom: 136 16Q-HG3 G 2.34 ambi=1 { CG:34.9 } ::sumAvg: 4.875 atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } ::sumAvg: 3.57 atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } ::sumAvg: 4.24 atom: 144 17A-H N 7.84 ambi=1 { N:125 } atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } ::sumAvg: 4.305 atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } :: atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } ::sumAvg: 4.875 atom: 588 61W-HE1 E1 10.25 ambi=1 { NE1:131.8 } atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } :: atom: 588 61W-HE1 E1 10.25 ambi=1 { NE1:131.8 } atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } ::sumAvg: 3.92 atom: 131 16Q-H N 7.39 ambi=1 { N:120 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 131 16Q-H N 7.39 ambi=1 { N:120 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 4.68 atom: 444 48V-H N 7.02 ambi=1 { N:109 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 444 48V-H N 7.02 ambi=1 { N:109 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 4.585 atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } :: atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } ::sumAvg: 4.68 atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } atom: 131 16Q-H N 7.39 ambi=1 { N:120 } ::sumAvg: 4.005 atom: 131 16Q-H N 7.39 ambi=1 { N:120 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } ::sumAvg: 4.005 atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } atom: 144 17A-H N 7.84 ambi=1 { N:125 } ::sumAvg: 4.61 atom: 144 17A-H N 7.84 ambi=1 { N:125 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } ::sumAvg: 4.61 atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } ::sumAvg: 3.82 atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } :: atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.595 atom: 131 16Q-H N 7.39 ambi=1 { N:120 } atom: 119 14C-HA A 3.51 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.25 atom: 150 18V-H N 7.7 ambi=1 { N:118.2 } atom: 119 14C-HA A 3.51 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.215 atom: 131 16Q-H N 7.39 ambi=1 { N:120 } atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } :: atom: 131 16Q-H N 7.39 ambi=1 { N:120 } atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } ::sumAvg: 4.98 atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } ::sumAvg: 4.655 atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } :: atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } ::sumAvg: 4.66 atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } atom: 136 16Q-HG3 G 2.34 ambi=1 { CG:34.9 } ::sumAvg: 4.415 atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } ::sumAvg: 4.57 atom: 144 17A-H N 7.84 ambi=1 { N:125 } atom: 125 15D-HA A 4.16 ambi=1 { CA:57.4 } ::sumAvg: 4.26 atom: 144 17A-H N 7.84 ambi=1 { N:125 } atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } :: atom: 144 17A-H N 7.84 ambi=1 { N:125 } atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } ::sumAvg: 4.93 atom: 131 16Q-H N 7.39 ambi=1 { N:120 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } ::sumAvg: 4.135 atom: 131 16Q-H N 7.39 ambi=1 { N:120 } atom: 138 16Q-HE22 E2 6.86 ambi=2 { NE2:110.9 } ::sumAvg: 4.83 atom: 138 16Q-HE22 E2 6.86 ambi=2 { NE2:110.9 } atom: 131 16Q-H N 7.39 ambi=1 { N:120 } ::sumAvg: 4.83 atom: 131 16Q-H N 7.39 ambi=1 { N:120 } atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } ::sumAvg: 4.28 atom: 144 17A-H N 7.84 ambi=1 { N:125 } atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 144 17A-H N 7.84 ambi=1 { N:125 } atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } ::sumAvg: 4.125 atom: 144 17A-H N 7.84 ambi=1 { N:125 } atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } ::sumAvg: 4.595 atom: 144 17A-H N 7.84 ambi=1 { N:125 } atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } ::sumAvg: 3.64 atom: 144 17A-H N 7.84 ambi=1 { N:125 } atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } ::sumAvg: 3.29 atom: 176 21L-H N 7.89 ambi=1 { N:118.8 } atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 176 21L-H N 7.89 ambi=1 { N:118.8 } atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } ::sumAvg: 4.545 atom: 150 18V-H N 7.7 ambi=1 { N:118.2 } atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } ::sumAvg: 4.785 atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } atom: 151 18V-HA A 3.21 ambi=1 { CA:67.1 } ::sumAvg: 4.35 atom: 160 19E-H N 7.44 ambi=1 { N:120.1 } atom: 176 21L-H N 7.89 ambi=1 { N:118.8 } ::sumAvg: 4.11 atom: 195 23Q-H N 8.53 ambi=1 { N:120.2 } atom: 164 19E-HG2 G 2.25 ambi=2 { CG:35.8 } :: atom: 195 23Q-H N 8.53 ambi=1 { N:120.2 } atom: 165 19E-HG3 G 2.15 ambi=2 { CG:35.8 } ::sumAvg: 4.285 atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } atom: 178 21L-HB2 B 1.15 ambi=1 { CB:41.1 } ::sumAvg: 4.395 atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } atom: 180 21L-HG G 1.25 ambi=1 { CG:27.7 } ::sumAvg: 4.595 atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } atom: 189 22A-H N 7.39 ambi=1 { N:120.9 } ::sumAvg: 4.065 atom: 189 22A-H N 7.39 ambi=1 { N:120.9 } atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } ::sumAvg: 4.065 atom: 195 23Q-H N 8.53 ambi=1 { N:120.2 } atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } ::sumAvg: 4.56 atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } atom: 199 23Q-HG2 G 2.33 ambi=2 { CG:33.5 } :: atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } atom: 200 23Q-HG3 G 2.48 ambi=2 { CG:33.5 } ::sumAvg: 4.51 atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } ::sumAvg: 4.74 atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } ::sumAvg: 4.555 atom: 176 21L-H N 7.89 ambi=1 { N:118.8 } atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } ::sumAvg: 4.575 atom: 195 23Q-H N 8.53 ambi=1 { N:120.2 } atom: 177 21L-HA A 3.52 ambi=1 { CA:58.8 } ::sumAvg: 4.365 atom: 195 23Q-H N 8.53 ambi=1 { N:120.2 } atom: 178 21L-HB2 B 1.15 ambi=1 { CB:41.1 } ::sumAvg: 4.83 atom: 229 26A-H N 7.76 ambi=1 { N:117.9 } atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } ::sumAvg: 3.825 atom: 235 27G-H N 8.22 ambi=1 { N:105.8 } atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } ::sumAvg: 4.015 atom: 208 24A-H N 8.25 ambi=1 { N:119.1 } atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } :: atom: 208 24A-H N 8.25 ambi=1 { N:119.1 } atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } ::sumAvg: 4.9 atom: 235 27G-H N 8.22 ambi=1 { N:105.8 } atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } :: atom: 235 27G-H N 8.22 ambi=1 { N:105.8 } atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } ::sumAvg: 4.36 atom: 189 22A-H N 7.39 ambi=1 { N:120.9 } atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } ::sumAvg: 4.88 atom: 189 22A-H N 7.39 ambi=1 { N:120.9 } atom: 197 23Q-HB2 B 1.96 ambi=1 { CB:28.6 } ::sumAvg: 4.6 atom: 189 22A-H N 7.39 ambi=1 { N:120.9 } atom: 199 23Q-HG2 G 2.33 ambi=2 { CG:33.5 } :: atom: 189 22A-H N 7.39 ambi=1 { N:120.9 } atom: 200 23Q-HG3 G 2.48 ambi=2 { CG:33.5 } ::sumAvg: 4.45 atom: 235 27G-H N 8.22 ambi=1 { N:105.8 } atom: 190 22A-HA A 4.1 ambi=1 { CA:54.8 } ::sumAvg: 4.45 atom: 208 24A-H N 8.25 ambi=1 { N:119.1 } atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } ::sumAvg: 4.48 atom: 195 23Q-H N 8.53 ambi=1 { N:120.2 } atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } ::sumAvg: 4.18 atom: 195 23Q-H N 8.53 ambi=1 { N:120.2 } atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } ::sumAvg: 4.585 atom: 201 23Q-HE21 E2 7.6 ambi=2 { NE2:112.2 } atom: 196 23Q-HA A 3.9 ambi=1 { CA:58.3 } :: atom: 202 23Q-HE22 E2 6.8 ambi=2 { NE2:112.2 } atom: 196 23Q-HA A 3.9 ambi=1 { CA:58.3 } ::sumAvg: 4.46 atom: 201 23Q-HE21 E2 7.6 ambi=2 { NE2:112.2 } atom: 197 23Q-HB2 B 1.96 ambi=1 { CB:28.6 } :: atom: 202 23Q-HE22 E2 6.8 ambi=2 { NE2:112.2 } atom: 197 23Q-HB2 B 1.96 ambi=1 { CB:28.6 } :: atom: 201 23Q-HE21 E2 7.6 ambi=2 { NE2:112.2 } atom: 198 23Q-HB3 B 2.08 ambi=1 { CB:28.6 } :: atom: 202 23Q-HE22 E2 6.8 ambi=2 { NE2:112.2 } atom: 198 23Q-HB3 B 2.08 ambi=1 { CB:28.6 } ::sumAvg: 3.845 atom: 214 25R-H N 7.78 ambi=1 { N:114.9 } atom: 197 23Q-HB2 B 1.96 ambi=1 { CB:28.6 } ::sumAvg: 4.725 atom: 201 23Q-HE21 E2 7.6 ambi=2 { NE2:112.2 } atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } :: atom: 202 23Q-HE22 E2 6.8 ambi=2 { NE2:112.2 } atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } ::sumAvg: 4.275 atom: 208 24A-H N 8.25 ambi=1 { N:119.1 } atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } ::sumAvg: 4.29 atom: 208 24A-H N 8.25 ambi=1 { N:119.1 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 208 24A-H N 8.25 ambi=1 { N:119.1 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 4.995 atom: 222 25R-HE E 7.05 ambi=1 { NE:85 } atom: 216 25R-HB2 B 1.71 ambi=1 { CB:26.1 } :: atom: 222 25R-HE E 7.05 ambi=1 { NE:85 } atom: 217 25R-HB3 B 1.9 ambi=1 { CB:26.1 } ::sumAvg: 4.625 atom: 222 25R-HE E 7.05 ambi=1 { NE:85 } atom: 220 25R-QD D 3.08 ambi=2 { CD:43.4 } ::sumAvg: 2.57 atom: 222 25R-HE E 7.05 ambi=1 { NE:85 } atom: 218 25R-QG G 1.44 ambi=2 { CG:27.3 } ::sumAvg: 2.44 atom: 235 27G-H N 8.22 ambi=1 { N:105.8 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 4.73 atom: 240 28A-H N 8.05 ambi=1 { N:121.7 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 4.975 atom: 246 29F-H N 7.8 ambi=1 { N:117 } atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } ::sumAvg: 4.595 atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } ::sumAvg: 4.595 atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } ::sumAvg: 3.965 atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } ::sumAvg: 3.965 atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } atom: 396 44Y-H N 8.44 ambi=1 { N:111.5 } ::sumAvg: 4.7 atom: 280 31S-H N 8.65 ambi=1 { N:119.9 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 4.445 atom: 263 30F-H N 8.84 ambi=1 { N:120.7 } atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } ::sumAvg: 4.99 atom: 297 33F-H N 8.77 ambi=1 { N:126.3 } atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } ::sumAvg: 4.675 atom: 297 33F-H N 8.77 ambi=1 { N:126.3 } atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } ::sumAvg: 4.885 atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 3.765 atom: 327 35D-H N 8.09 ambi=1 { N:115.7 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 3.67 atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } :: atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } ::sumAvg: 4.28 atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } ::sumAvg: 3.915 atom: 341 37D-H N 7.71 ambi=1 { N:121 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } ::sumAvg: 4.96 atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } ::sumAvg: 4.74 atom: 444 48V-H N 7.02 ambi=1 { N:109 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 4.62 atom: 327 35D-H N 8.09 ambi=1 { N:115.7 } atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } ::sumAvg: 4.865 atom: 334 36D-H N 9 ambi=1 { N:116.6 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } :: atom: 334 36D-H N 9 ambi=1 { N:116.6 } atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } ::sumAvg: 3.565 atom: 334 36D-H N 9 ambi=1 { N:116.6 } atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } ::sumAvg: 4.755 atom: 334 36D-H N 9 ambi=1 { N:116.6 } atom: 343 37D-HB2 B 2.23 ambi=2 { CB:42.8 } :: atom: 334 36D-H N 9 ambi=1 { N:116.6 } atom: 344 37D-HB3 B 2.94 ambi=2 { CB:42.8 } ::sumAvg: 4.785 atom: 334 36D-H N 9 ambi=1 { N:116.6 } atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } ::sumAvg: 3.8 atom: 341 37D-H N 7.71 ambi=1 { N:121 } atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } ::sumAvg: 4.775 atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } atom: 341 37D-H N 7.71 ambi=1 { N:121 } ::sumAvg: 4.775 atom: 341 37D-H N 7.71 ambi=1 { N:121 } atom: 349 38A-HA A 3.97 ambi=1 { CA:55.4 } ::sumAvg: 4.53 atom: 341 37D-H N 7.71 ambi=1 { N:121 } atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } ::sumAvg: 4.695 atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } atom: 341 37D-H N 7.71 ambi=1 { N:121 } ::sumAvg: 4.695 atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } ::sumAvg: 4.36 atom: 354 39A-H N 8.11 ambi=1 { N:120.7 } atom: 343 37D-HB2 B 2.23 ambi=2 { CB:42.8 } :: atom: 354 39A-H N 8.11 ambi=1 { N:120.7 } atom: 344 37D-HB3 B 2.94 ambi=2 { CB:42.8 } ::sumAvg: 4.06 atom: 348 38A-H N 8.77 ambi=1 { N:128.3 } atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } :: atom: 348 38A-H N 8.77 ambi=1 { N:128.3 } atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } ::sumAvg: 4.735 atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } atom: 349 38A-HA A 3.97 ambi=1 { CA:55.4 } ::sumAvg: 4.25 atom: 354 39A-H N 8.11 ambi=1 { N:120.7 } atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } ::sumAvg: 4.825 atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } atom: 383 42S-H N 7.86 ambi=1 { N:114.2 } ::sumAvg: 4.16 atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } ::sumAvg: 4.38 atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } ::sumAvg: 4.565 atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } ::sumAvg: 4.565 atom: 396 44Y-H N 8.44 ambi=1 { N:111.5 } atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } :: atom: 396 44Y-H N 8.44 ambi=1 { N:111.5 } atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } ::sumAvg: 4.92 atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } atom: 365 40L-HD1 D1 0.78 ambi=2 { CD1:22.6 } :: atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } atom: 366 40L-HD2 D2 0.83 ambi=2 { CD2:27 } ::sumAvg: 4.645 atom: 411 45G-H N 8.44 ambi=1 { N:111.5 } atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } :: atom: 411 45G-H N 8.44 ambi=1 { N:111.5 } atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } ::sumAvg: 4.57 atom: 396 44Y-H N 8.44 ambi=1 { N:111.5 } atom: 384 42S-HA A 3.99 ambi=1 { CA:61.3 } ::sumAvg: 4.19 atom: 411 45G-H N 8.44 ambi=1 { N:111.5 } atom: 384 42S-HA A 3.99 ambi=1 { CA:61.3 } ::sumAvg: 4.965 atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } ::sumAvg: 4.775 atom: 416 46L-H N 8.3 ambi=1 { N:117.1 } atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } ::sumAvg: 4.95 atom: 429 47R-H N 7.67 ambi=1 { N:117.2 } atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } :: atom: 429 47R-H N 7.67 ambi=1 { N:117.2 } atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } ::sumAvg: 3.89 atom: 429 47R-H N 7.67 ambi=1 { N:117.2 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } ::sumAvg: 4.68 atom: 465 50V-H N 7.7 ambi=1 { N:120 } atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } ::sumAvg: 4.905 atom: 411 45G-H N 8.44 ambi=1 { N:111.5 } atom: 429 47R-H N 7.67 ambi=1 { N:117.2 } ::sumAvg: 4.235 atom: 416 46L-H N 8.3 ambi=1 { N:117.1 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } ::sumAvg: 4.925 atom: 583 61W-H N 7.88 ambi=1 { N:121 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } ::sumAvg: 4.855 atom: 437 47R-HE E 8.2 ambi=1 { NE:83.2 } atom: 431 47R-HB2 B 1.14 ambi=1 { CB:35.9 } :: atom: 437 47R-HE E 8.2 ambi=1 { NE:83.2 } atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } ::sumAvg: 4.55 atom: 583 61W-H N 7.88 ambi=1 { N:121 } atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } ::sumAvg: 3.71 atom: 437 47R-HE E 8.2 ambi=1 { NE:83.2 } atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } :: atom: 437 47R-HE E 8.2 ambi=1 { NE:83.2 } atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } ::sumAvg: 2.825 atom: 583 61W-H N 7.88 ambi=1 { N:121 } atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } :: atom: 583 61W-H N 7.88 ambi=1 { N:121 } atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } ::sumAvg: 3.87 atom: 437 47R-HE E 8.2 ambi=1 { NE:83.2 } atom: 435 47R-HD2 D 2.95 ambi=1 { CD:44.2 } :: atom: 437 47R-HE E 8.2 ambi=1 { NE:83.2 } atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } ::sumAvg: 2.69 atom: 583 61W-H N 7.88 ambi=1 { N:121 } atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } ::sumAvg: 3.755 atom: 437 47R-HE E 8.2 ambi=1 { NE:83.2 } atom: 602 62P-HG2 G 1.8 ambi=2 { CG:27.3 } :: atom: 437 47R-HE E 8.2 ambi=1 { NE:83.2 } atom: 603 62P-HG3 G 1.9 ambi=2 { CG:27.3 } ::sumAvg: 4.41 atom: 437 47R-HE E 8.2 ambi=1 { NE:83.2 } atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } :: atom: 437 47R-HE E 8.2 ambi=1 { NE:83.2 } atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } ::sumAvg: 4.475 atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } ::sumAvg: 4.15 atom: 533 56G-H N 8.27 ambi=1 { N:108.8 } atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } ::sumAvg: 4.59 atom: 583 61W-H N 7.88 ambi=1 { N:121 } atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } :: atom: 583 61W-H N 7.88 ambi=1 { N:121 } atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.95 atom: 465 50V-H N 7.7 ambi=1 { N:120 } atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } :: atom: 465 50V-H N 7.7 ambi=1 { N:120 } atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } ::sumAvg: 4.875 atom: 465 50V-H N 7.7 ambi=1 { N:120 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } ::sumAvg: 4.895 atom: 465 50V-H N 7.7 ambi=1 { N:120 } atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } :: atom: 465 50V-H N 7.7 ambi=1 { N:120 } atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } ::sumAvg: 4.93 atom: 465 50V-H N 7.7 ambi=1 { N:120 } atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } :: atom: 465 50V-H N 7.7 ambi=1 { N:120 } atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } ::sumAvg: 4.995 atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 4.135 atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 4.355 atom: 475 51L-H N 8.85 ambi=1 { N:128.4 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 4.915 atom: 475 51L-H N 8.85 ambi=1 { N:128.4 } atom: 555 58E-HB2 B 1.46 ambi=2 { CB:33 } :: atom: 475 51L-H N 8.85 ambi=1 { N:128.4 } atom: 556 58E-HB3 B 1.75 ambi=2 { CB:33 } ::sumAvg: 4.93 atom: 475 51L-H N 8.85 ambi=1 { N:128.4 } atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } ::sumAvg: 4.55 atom: 475 51L-H N 8.85 ambi=1 { N:128.4 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 475 51L-H N 8.85 ambi=1 { N:128.4 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } ::sumAvg: 4.475 atom: 475 51L-H N 8.85 ambi=1 { N:128.4 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } ::sumAvg: 4.625 atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } ::sumAvg: 4.895 atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } atom: 477 51L-HB2 B 0.78 ambi=1 { CB:46.1 } :: atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } ::sumAvg: 3.745 atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } :: atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } ::sumAvg: 4.83 atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } ::sumAvg: 4.78 atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.435 atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } ::sumAvg: 4.96 atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.955 atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } ::sumAvg: 4.55 atom: 553 58E-H N 8.54 ambi=1 { N:119.1 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 4.935 atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } :: atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } ::sumAvg: 3.66 atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } ::sumAvg: 2.89 atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } atom: 494 52R-HD2 D 3.18 ambi=1 { CD:44.2 } :: atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } atom: 495 52R-HD3 D 3.44 ambi=1 { CD:44.2 } ::sumAvg: 2.72 atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } atom: 557 58E-HG2 G 2 ambi=2 { CG:37 } :: atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } atom: 558 58E-HG3 G 2.41 ambi=2 { CG:37 } ::sumAvg: 4.63 atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } ::sumAvg: 4.835 atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } ::sumAvg: 4.835 atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } atom: 534 56G-HA2 A 4.12 ambi=2 { CA:44.8 } :: atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } atom: 535 56G-HA3 A 3.36 ambi=2 { CA:44.8 } ::sumAvg: 4.89 atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } ::sumAvg: 4.475 atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } atom: 553 58E-H N 8.54 ambi=1 { N:119.1 } ::sumAvg: 4.91 atom: 553 58E-H N 8.54 ambi=1 { N:119.1 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } ::sumAvg: 4.91 atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } ::sumAvg: 4.795 atom: 533 56G-H N 8.27 ambi=1 { N:108.8 } atom: 510 54P-HA A 4.3 ambi=1 { CA:65 } ::sumAvg: 4.12 atom: 533 56G-H N 8.27 ambi=1 { N:108.8 } atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } :: atom: 533 56G-H N 8.27 ambi=1 { N:108.8 } atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } ::sumAvg: 4.575 atom: 538 57R-H N 8.28 ambi=1 { N:121.5 } atom: 522 55M-HA A 4.39 ambi=1 { CA:55.1 } ::sumAvg: 4.41 atom: 533 56G-H N 8.27 ambi=1 { N:108.8 } atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } ::sumAvg: 4.645 atom: 533 56G-H N 8.27 ambi=1 { N:108.8 } atom: 540 57R-HB2 B 1.77 ambi=2 { CB:30.8 } :: atom: 533 56G-H N 8.27 ambi=1 { N:108.8 } atom: 541 57R-HB3 B 1.79 ambi=2 { CB:30.8 } ::sumAvg: 4.935 atom: 538 57R-H N 8.28 ambi=1 { N:121.5 } atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } ::sumAvg: 4.94 atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } atom: 538 57R-H N 8.28 ambi=1 { N:121.5 } ::sumAvg: 4.94 atom: 538 57R-H N 8.28 ambi=1 { N:121.5 } atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } ::sumAvg: 4.665 atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } ::sumAvg: 3.995 atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } atom: 540 57R-HB2 B 1.77 ambi=2 { CB:30.8 } :: atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } atom: 541 57R-HB3 B 1.79 ambi=2 { CB:30.8 } ::sumAvg: 3.49 atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } atom: 542 57R-HG2 G 1.45 ambi=2 { CG:27.1 } :: atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } atom: 543 57R-HG3 G 1.51 ambi=2 { CG:27.1 } ::sumAvg: 3.05 atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } atom: 544 57R-HD2 D 2.9 ambi=2 { CD:44 } :: atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } atom: 545 57R-HD3 D 3.03 ambi=2 { CD:44 } ::sumAvg: 2.675 atom: 553 58E-H N 8.54 ambi=1 { N:119.1 } atom: 544 57R-HD2 D 2.9 ambi=2 { CD:44 } :: atom: 553 58E-H N 8.54 ambi=1 { N:119.1 } atom: 545 57R-HD3 D 3.03 ambi=2 { CD:44 } ::sumAvg: 4.68 atom: 553 58E-H N 8.54 ambi=1 { N:119.1 } atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } ::sumAvg: 4.85 atom: 553 58E-H N 8.54 ambi=1 { N:119.1 } atom: 702 71W-HE1 E1 9.86 ambi=1 { NE1:130.1 } ::sumAvg: 4.47 atom: 702 71W-HE1 E1 9.86 ambi=1 { NE1:130.1 } atom: 553 58E-H N 8.54 ambi=1 { N:119.1 } ::sumAvg: 4.47 atom: 691 70A-H N 7.74 ambi=1 { N:119.6 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } ::sumAvg: 4.465 atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } ::sumAvg: 4.84 atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } ::sumAvg: 3.56 atom: 702 71W-HE1 E1 9.86 ambi=1 { NE1:130.1 } atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } ::sumAvg: 4.27 atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } ::sumAvg: 4.85 atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } ::sumAvg: 4.62 atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } :: atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } ::sumAvg: 4.675 atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } ::sumAvg: 4.71 atom: 583 61W-H N 7.88 ambi=1 { N:121 } atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } ::sumAvg: 4.675 atom: 583 61W-H N 7.88 ambi=1 { N:121 } atom: 602 62P-HG2 G 1.8 ambi=2 { CG:27.3 } :: atom: 583 61W-H N 7.88 ambi=1 { N:121 } atom: 603 62P-HG3 G 1.9 ambi=2 { CG:27.3 } ::sumAvg: 4.5 atom: 588 61W-HE1 E1 10.25 ambi=1 { NE1:131.8 } atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } :: atom: 588 61W-HE1 E1 10.25 ambi=1 { NE1:131.8 } atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } ::sumAvg: 4.91 atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } atom: 610 63F-HB2 B 2.73 ambi=2 { CB:40 } :: atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } atom: 611 63F-HB3 B 2.56 ambi=2 { CB:40 } ::sumAvg: 4.855 atom: 631 65A-H N 9.06 ambi=1 { N:120.7 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } ::sumAvg: 4.71 atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } ::sumAvg: 4.64 atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } ::sumAvg: 4.95 atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } :: atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } ::sumAvg: 2.545 atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } :: atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } ::sumAvg: 4.86 atom: 631 65A-H N 9.06 ambi=1 { N:120.7 } atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } ::sumAvg: 3.84 atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } atom: 631 65A-H N 9.06 ambi=1 { N:120.7 } ::sumAvg: 3.84 atom: 631 65A-H N 9.06 ambi=1 { N:120.7 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } ::sumAvg: 4.565 atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } atom: 631 65A-H N 9.06 ambi=1 { N:120.7 } ::sumAvg: 4.565 atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } ::sumAvg: 4.565 atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } ::sumAvg: 4.745 atom: 691 70A-H N 7.74 ambi=1 { N:119.6 } atom: 637 66P-HA A 4.13 ambi=1 { CA:66.2 } ::sumAvg: 3.82 atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } atom: 642 66P-HD2 D 3.52 ambi=2 { CD:49.4 } :: atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } atom: 643 66P-HD3 D 3.54 ambi=2 { CD:49.4 } ::sumAvg: 4.5 atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } atom: 654 67R-HD2 D 3.05 ambi=2 { CD:43.2 } :: atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } atom: 655 67R-HD3 D 3.15 ambi=2 { CD:43.2 } ::sumAvg: 4.01 atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } ::sumAvg: 4.015 atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } ::sumAvg: 4.615 atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } atom: 649 67R-HA A 4 ambi=1 { CA:58.9 } ::sumAvg: 4.97 atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } ::sumAvg: 4.665 atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } atom: 652 67R-HG2 G 1.51 ambi=2 { CG:28.4 } :: atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } atom: 653 67R-HG3 G 1.59 ambi=2 { CG:28.4 } ::sumAvg: 2.73 atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } atom: 654 67R-HD2 D 3.05 ambi=2 { CD:43.2 } :: atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } atom: 655 67R-HD3 D 3.15 ambi=2 { CD:43.2 } ::sumAvg: 2.855 atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } atom: 691 70A-H N 7.74 ambi=1 { N:119.6 } ::sumAvg: 4.075 atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } ::sumAvg: 4.62 atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } ::sumAvg: 4.62 atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } ::sumAvg: 4.48 atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } ::sumAvg: 4.03 atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } ::sumAvg: 4.03 atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 4.1 atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 677 69R-HA A 3.81 ambi=1 { CA:58.5 } ::sumAvg: 4.12 atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } atom: 677 69R-HA A 3.81 ambi=1 { CA:58.5 } ::sumAvg: 4.34 atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } :: atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } ::sumAvg: 4.65 atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 680 69R-HG2 G 1.5 ambi=2 { CG:25.4 } :: atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 681 69R-HG3 G 1.73 ambi=2 { CG:25.4 } ::sumAvg: 2.66 atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } atom: 680 69R-HG2 G 1.5 ambi=2 { CG:25.4 } :: atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } atom: 681 69R-HG3 G 1.73 ambi=2 { CG:25.4 } ::sumAvg: 4.29 atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 682 69R-HD2 D 3.3 ambi=2 { CD:43.4 } :: atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 683 69R-HD3 D 3.14 ambi=2 { CD:43.4 } ::sumAvg: 2.685 atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } atom: 682 69R-HD2 D 3.3 ambi=2 { CD:43.4 } :: atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } atom: 683 69R-HD3 D 3.14 ambi=2 { CD:43.4 } ::sumAvg: 4.74 atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } :: atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } ::sumAvg: 4.525 atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 4.845 atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } ::sumAvg: 4.6 atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } ::sumAvg: 4.6 atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 730 73D-HA A 4.26 ambi=1 { CA:55.8 } ::sumAvg: 4.925 atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 731 73D-HB2 B 2.57 ambi=2 { CB:39.8 } :: atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } atom: 732 73D-HB3 B 2.52 ambi=2 { CB:39.8 } ::sumAvg: 4.9 atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } atom: 691 70A-H N 7.74 ambi=1 { N:119.6 } ::sumAvg: 4.025 atom: 691 70A-H N 7.74 ambi=1 { N:119.6 } atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } ::sumAvg: 4.59 atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } atom: 691 70A-H N 7.74 ambi=1 { N:119.6 } ::sumAvg: 4.59 atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } atom: 692 70A-HA A 4.03 ambi=1 { CA:54.9 } ::sumAvg: 4.395 atom: 736 74A-H N 7.11 ambi=1 { N:120.6 } atom: 692 70A-HA A 4.03 ambi=1 { CA:54.9 } ::sumAvg: 4.34 atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } ::sumAvg: 4.52 atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } ::sumAvg: 4.515 atom: 736 74A-H N 7.11 ambi=1 { N:120.6 } atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } ::sumAvg: 4.83 atom: 736 74A-H N 7.11 ambi=1 { N:120.6 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } ::sumAvg: 4.735 atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } ::sumAvg: 4.66 atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } atom: 698 71W-HA A 4.2 ambi=1 { CA:61.5 } ::sumAvg: 4.385 atom: 736 74A-H N 7.11 ambi=1 { N:120.6 } atom: 698 71W-HA A 4.2 ambi=1 { CA:61.5 } ::sumAvg: 3.375 atom: 742 75A-H N 7.02 ambi=1 { N:123 } atom: 698 71W-HA A 4.2 ambi=1 { CA:61.5 } ::sumAvg: 4.8 atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } atom: 731 73D-HB2 B 2.57 ambi=2 { CB:39.8 } :: atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } atom: 732 73D-HB3 B 2.52 ambi=2 { CB:39.8 } ::sumAvg: 4.795 atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } ::sumAvg: 4.63 atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } atom: 742 75A-H N 7.02 ambi=1 { N:123 } ::sumAvg: 4.905 atom: 742 75A-H N 7.02 ambi=1 { N:123 } atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } ::sumAvg: 4.905 atom: 742 75A-H N 7.02 ambi=1 { N:123 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 742 75A-H N 7.02 ambi=1 { N:123 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 4.935 atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } atom: 742 75A-H N 7.02 ambi=1 { N:123 } ::sumAvg: 4.03 atom: 736 74A-H N 7.11 ambi=1 { N:120.6 } atom: 743 75A-HA A 3.86 ambi=1 { CA:51.2 } ::sumAvg: 4.88 atom: 736 74A-H N 7.11 ambi=1 { N:120.6 } atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } ::sumAvg: 4.15 atom: 770 78A-H N 8.08 ambi=1 { N:125 } atom: 749 76P-HB2 B 1.61 ambi=2 { CB:31.6 } :: atom: 770 78A-H N 8.08 ambi=1 { N:125 } atom: 750 76P-HB3 B 2.04 ambi=2 { CB:31.6 } ::sumAvg: 4.115 atom: 759 77H-H N 8.23 ambi=1 { N:118 } atom: 771 78A-HA A 4.06 ambi=1 { CA:52.7 } ::sumAvg: 4.79 atom: 770 78A-H N 8.08 ambi=1 { N:125 } atom: 763 77H-HD2 D2 6.99 ambi=1 { CD2:119.5 } ::sumAvg: 4.765 # Missing interactons for c.peaks atom: 1 1M-HA A 3.82 ambi=1 { CA:58.8 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } ::sumAvg: 4.355 atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 1 1M-HA A 3.82 ambi=1 { CA:58.8 } ::sumAvg: 4.355 atom: 511 54P-HB2 B 1.7 ambi=2 { CB:31.9 } atom: 1 1M-HA A 3.82 ambi=1 { CA:58.8 } :: atom: 512 54P-HB3 B 2.33 ambi=2 { CB:31.9 } atom: 1 1M-HA A 3.82 ambi=1 { CA:58.8 } ::sumAvg: 4.905 atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } atom: 1 1M-HA A 3.82 ambi=1 { CA:58.8 } ::sumAvg: 4.13 atom: 2 1M-HB2 B 1.97 ambi=2 { CB:30.6 } atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } :: atom: 3 1M-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } ::sumAvg: 4.535 atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } atom: 2 1M-HB2 B 1.97 ambi=2 { CB:30.6 } :: atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } atom: 3 1M-HB3 B 2.21 ambi=2 { CB:30.6 } ::sumAvg: 4.535 atom: 2 1M-HB2 B 1.97 ambi=2 { CB:30.6 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } :: atom: 3 1M-HB3 B 2.21 ambi=2 { CB:30.6 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } ::sumAvg: 4.375 atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 2 1M-HB2 B 1.97 ambi=2 { CB:30.6 } :: atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 3 1M-HB3 B 2.21 ambi=2 { CB:30.6 } ::sumAvg: 4.375 atom: 4 1M-HG2 G 2.19 ambi=2 { CG:36 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } :: atom: 5 1M-HG3 G 2.32 ambi=2 { CG:36 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } ::sumAvg: 4.715 atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 4 1M-HG2 G 2.19 ambi=2 { CG:36 } :: atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 5 1M-HG3 G 2.32 ambi=2 { CG:36 } ::sumAvg: 4.715 atom: 267 30F-QD D 7 ambi=3 { CD1:131 } atom: 9 2A-H N 8.3 ambi=1 { N:120.7 } ::sumAvg: 4.91 atom: 269 30F-QE E 7.04 ambi=3 { CE1:130.8 } atom: 9 2A-H N 8.3 ambi=1 { N:120.7 } ::sumAvg: 4.185 atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 4.355 atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } ::sumAvg: 4.355 atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } :: atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } ::sumAvg: 4.865 atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } ::sumAvg: 3.66 atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } :: atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } ::sumAvg: 4.455 atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } :: atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } ::sumAvg: 4.455 atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } atom: 242 28A-HB B 1.09 ambi=1 { CB:19.1 } ::sumAvg: 4.95 atom: 242 28A-HB B 1.09 ambi=1 { CB:19.1 } atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } ::sumAvg: 4.95 atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } ::sumAvg: 4.325 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } ::sumAvg: 4.325 atom: 269 30F-QE E 7.04 ambi=3 { CE1:130.8 } atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } ::sumAvg: 4.715 atom: 10 2A-HA A 3.9 ambi=1 { CA:51.6 } atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } ::sumAvg: 4.575 atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 4.055 atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } ::sumAvg: 4.055 atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } ::sumAvg: 4.275 atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } ::sumAvg: 4.275 atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } ::sumAvg: 3.92 atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } ::sumAvg: 3.92 atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } :: atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } ::sumAvg: 4.57 atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } :: atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } ::sumAvg: 4.57 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } ::sumAvg: 3.04 atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 265 30F-HB2 B 2.73 ambi=1 { CB:40.7 } ::sumAvg: 4.58 atom: 265 30F-HB2 B 2.73 ambi=1 { CB:40.7 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } ::sumAvg: 4.58 atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } ::sumAvg: 4.325 atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } ::sumAvg: 4.325 atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } :: atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } ::sumAvg: 4.945 atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } :: atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } atom: 11 2A-HB B 1.21 ambi=1 { CB:19.7 } ::sumAvg: 4.945 atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 15 3L-H N 8.11 ambi=1 { N:120.4 } ::sumAvg: 2.88 atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } atom: 15 3L-H N 8.11 ambi=1 { N:120.4 } :: atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } atom: 15 3L-H N 8.11 ambi=1 { N:120.4 } ::sumAvg: 3.195 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 15 3L-H N 8.11 ambi=1 { N:120.4 } ::sumAvg: 2.63 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 15 3L-H N 8.11 ambi=1 { N:120.4 } ::sumAvg: 4.93 atom: 267 30F-QD D 7 ambi=3 { CD1:131 } atom: 15 3L-H N 8.11 ambi=1 { N:120.4 } ::sumAvg: 4.185 atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } :: atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } ::sumAvg: 2.565 atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } ::sumAvg: 3.055 atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } :: atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } ::sumAvg: 2.05 atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 2.485 atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } ::sumAvg: 4.645 atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 4.645 atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } :: atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } ::sumAvg: 4.745 atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } :: atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 4.745 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 4.82 atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 263 30F-H N 8.84 ambi=1 { N:120.7 } ::sumAvg: 4.97 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 2.975 atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } :: atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } ::sumAvg: 4.7 atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 4.7 atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } ::sumAvg: 4.035 atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 4.035 atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } :: atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } ::sumAvg: 2.91 atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } :: atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } atom: 16 3L-HA A 4.62 ambi=1 { CA:54 } ::sumAvg: 2.91 atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } :: atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } ::sumAvg: 4.415 atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } :: atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } ::sumAvg: 4.415 atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } :: atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } :: atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } ::sumAvg: 4.8 atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } :: atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } ::sumAvg: 4.8 atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } ::sumAvg: 4.39 atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } ::sumAvg: 4.39 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } :: atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } ::sumAvg: 3.215 atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } :: atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 4.115 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } :: atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } ::sumAvg: 4.115 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } :: atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } ::sumAvg: 4.155 atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } ::sumAvg: 3.925 atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } ::sumAvg: 3.925 atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } :: atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.14 atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } :: atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } :: atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } :: atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } ::sumAvg: 4.93 atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } :: atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } :: atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } :: atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } ::sumAvg: 4.93 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 17 3L-HB2 B 1.35 ambi=2 { CB:44.2 } :: atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 18 3L-HB3 B 1.62 ambi=2 { CB:44.2 } ::sumAvg: 4.37 atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } :: atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } ::sumAvg: 4.485 atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } :: atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } ::sumAvg: 4.485 atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } ::sumAvg: 3.845 atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } ::sumAvg: 3.845 atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } :: atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } ::sumAvg: 4.095 atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } :: atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } ::sumAvg: 4.095 atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } ::sumAvg: 4.675 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } ::sumAvg: 4.675 atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } :: atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } atom: 19 3L-HG G 1.83 ambi=1 { CG:26.8 } ::sumAvg: 4.895 atom: 177 21L-HA A 3.52 ambi=1 { CA:58.8 } atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } :: atom: 177 21L-HA A 3.52 ambi=1 { CA:58.8 } atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } ::sumAvg: 4.705 atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } :: atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } ::sumAvg: 4.295 atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } atom: 180 21L-HG G 1.25 ambi=1 { CG:27.7 } ::sumAvg: 4.755 atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } atom: 230 26A-HA A 3.77 ambi=1 { CA:53.5 } :: atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } atom: 230 26A-HA A 3.77 ambi=1 { CA:53.5 } ::sumAvg: 3.665 atom: 230 26A-HA A 3.77 ambi=1 { CA:53.5 } atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } :: atom: 230 26A-HA A 3.77 ambi=1 { CA:53.5 } atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } ::sumAvg: 3.665 atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } atom: 229 26A-H N 7.76 ambi=1 { N:117.9 } :: atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } atom: 229 26A-H N 7.76 ambi=1 { N:117.9 } ::sumAvg: 4.82 atom: 237 27G-HA3 A 3.52 ambi=2 { CA:43.7 } atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } :: atom: 236 27G-HA2 A 4.03 ambi=2 { CA:43.7 } atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } :: atom: 237 27G-HA3 A 3.52 ambi=2 { CA:43.7 } atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } :: atom: 236 27G-HA2 A 4.03 ambi=2 { CA:43.7 } atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } ::sumAvg: 4.685 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } :: atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } ::sumAvg: 4.835 atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } :: atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 4.18 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } :: atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } ::sumAvg: 2.52 atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } :: atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.745 atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } :: atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } ::sumAvg: 3.975 atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } :: atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } ::sumAvg: 4.825 atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } :: atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } :: atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } ::sumAvg: 3.84 atom: 20 3L-HD1 D1 0.82 ambi=2 { CD1:26.1 } atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } :: atom: 21 3L-HD2 D2 0.87 ambi=2 { CD2:23.7 } atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } ::sumAvg: 4.87 atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 4.725 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 3.635 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 4.85 atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } :: atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 4.27 atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 4.285 atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } :: atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } atom: 28 4T-H N 8.8 ambi=1 { N:117.4 } ::sumAvg: 4.545 atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } :: atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } ::sumAvg: 4.42 atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } ::sumAvg: 4.42 atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } ::sumAvg: 3.465 atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } ::sumAvg: 3.465 atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 4.105 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } ::sumAvg: 4.105 atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } atom: 265 30F-HB2 B 2.73 ambi=1 { CB:40.7 } :: atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } atom: 266 30F-HB3 B 2.89 ambi=1 { CB:40.7 } ::sumAvg: 2.955 atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } atom: 267 30F-QD D 7 ambi=3 { CD1:131 } ::sumAvg: 3.96 atom: 267 30F-QD D 7 ambi=3 { CD1:131 } atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } ::sumAvg: 3.96 atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } :: atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } ::sumAvg: 3.945 atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } :: atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } ::sumAvg: 3.945 atom: 29 4T-HA A 4.76 ambi=1 { CA:62.7 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.745 atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } ::sumAvg: 4.88 atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } ::sumAvg: 4.88 atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } ::sumAvg: 4.09 atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } :: atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } ::sumAvg: 4.395 atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } :: atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } ::sumAvg: 4.395 atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 4.885 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } ::sumAvg: 4.885 atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } ::sumAvg: 3 atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } atom: 494 52R-HD2 D 3.18 ambi=1 { CD:44.2 } ::sumAvg: 4.285 atom: 494 52R-HD2 D 3.18 ambi=1 { CD:44.2 } atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } ::sumAvg: 4.285 atom: 30 4T-HB B 3.62 ambi=1 { CB:70.8 } atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } ::sumAvg: 4.83 atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } ::sumAvg: 3.705 atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } ::sumAvg: 3.705 atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } ::sumAvg: 4.825 atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } ::sumAvg: 4.05 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } ::sumAvg: 4.125 atom: 267 30F-QD D 7 ambi=3 { CD1:131 } atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } ::sumAvg: 4.59 atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } ::sumAvg: 4.465 atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } ::sumAvg: 4.465 atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } ::sumAvg: 4.7 atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } ::sumAvg: 4.7 atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } ::sumAvg: 4.82 atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } :: atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } ::sumAvg: 3.985 atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } ::sumAvg: 3.735 atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } ::sumAvg: 3.735 atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } atom: 494 52R-HD2 D 3.18 ambi=1 { CD:44.2 } :: atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } atom: 495 52R-HD3 D 3.44 ambi=1 { CD:44.2 } ::sumAvg: 3.895 atom: 494 52R-HD2 D 3.18 ambi=1 { CD:44.2 } atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } :: atom: 495 52R-HD3 D 3.44 ambi=1 { CD:44.2 } atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } ::sumAvg: 3.895 atom: 31 4T-HG2 G2 0.28 ambi=1 { CG2:20.9 } atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } ::sumAvg: 4.445 atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } atom: 36 5L-H N 9 ambi=1 { N:128.4 } ::sumAvg: 4.32 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 36 5L-H N 9 ambi=1 { N:128.4 } ::sumAvg: 4.91 atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } atom: 36 5L-H N 9 ambi=1 { N:128.4 } ::sumAvg: 3.535 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 36 5L-H N 9 ambi=1 { N:128.4 } ::sumAvg: 2.99 atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } atom: 36 5L-H N 9 ambi=1 { N:128.4 } ::sumAvg: 4.705 atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } atom: 36 5L-H N 9 ambi=1 { N:128.4 } ::sumAvg: 4.98 atom: 265 30F-HB2 B 2.73 ambi=1 { CB:40.7 } atom: 36 5L-H N 9 ambi=1 { N:128.4 } ::sumAvg: 4.175 atom: 289 32V-HB B 1.09 ambi=1 { CB:33.9 } atom: 36 5L-H N 9 ambi=1 { N:128.4 } ::sumAvg: 4.835 atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } ::sumAvg: 4.4 atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } ::sumAvg: 4.4 atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 3.655 atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } ::sumAvg: 3.655 atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } :: atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } ::sumAvg: 4.5 atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 4.92 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } ::sumAvg: 4.92 atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } atom: 477 51L-HB2 B 0.78 ambi=1 { CB:46.1 } ::sumAvg: 4.69 atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } ::sumAvg: 4.035 atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } ::sumAvg: 4.035 atom: 37 5L-HA A 4.88 ambi=1 { CA:52.7 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 3.51 atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } ::sumAvg: 4.185 atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } ::sumAvg: 4.77 atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } :: atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } ::sumAvg: 4.535 atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } :: atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } ::sumAvg: 3.82 atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } :: atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } :: atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } :: atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } ::sumAvg: 3.82 atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 2.47 atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } ::sumAvg: 2.85 atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } :: atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } ::sumAvg: 2.85 atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 254 29F-HZ Z 7.1 ambi=1 { CZ:130.7 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 254 29F-HZ Z 7.1 ambi=1 { CZ:130.7 } ::sumAvg: 4.915 atom: 254 29F-HZ Z 7.1 ambi=1 { CZ:130.7 } atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } :: atom: 254 29F-HZ Z 7.1 ambi=1 { CZ:130.7 } atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } ::sumAvg: 4.915 atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } :: atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } ::sumAvg: 3.37 atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 282 31S-HB2 B 3.12 ambi=2 { CB:64.4 } :: atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 283 31S-HB3 B 3.5 ambi=2 { CB:64.4 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 282 31S-HB2 B 3.12 ambi=2 { CB:64.4 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 283 31S-HB3 B 3.5 ambi=2 { CB:64.4 } ::sumAvg: 4.925 atom: 282 31S-HB2 B 3.12 ambi=2 { CB:64.4 } atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } :: atom: 283 31S-HB3 B 3.5 ambi=2 { CB:64.4 } atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } :: atom: 282 31S-HB2 B 3.12 ambi=2 { CB:64.4 } atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } :: atom: 283 31S-HB3 B 3.5 ambi=2 { CB:64.4 } atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } ::sumAvg: 4.925 atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 287 32V-H N 8.23 ambi=1 { N:126.8 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 287 32V-H N 8.23 ambi=1 { N:126.8 } ::sumAvg: 4.465 atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } ::sumAvg: 4.175 atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } :: atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } ::sumAvg: 4.175 atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } ::sumAvg: 4.34 atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } :: atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } ::sumAvg: 4.34 atom: 38 5L-HB2 B 0.6 ambi=2 { CB:43.8 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } :: atom: 39 5L-HB3 B 1.75 ambi=2 { CB:43.8 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.985 atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } ::sumAvg: 3.27 atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } ::sumAvg: 4.22 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } ::sumAvg: 4.22 atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } ::sumAvg: 4.855 atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } ::sumAvg: 4.855 atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } atom: 64 7Q-H N 8.51 ambi=1 { N:118.2 } ::sumAvg: 4.695 atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.77 atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } ::sumAvg: 3.805 atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } :: atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } ::sumAvg: 4.685 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } ::sumAvg: 4.685 atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } :: atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } ::sumAvg: 4.575 atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 4.885 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } ::sumAvg: 4.885 atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } ::sumAvg: 4.41 atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } ::sumAvg: 4.54 atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } atom: 287 32V-H N 8.23 ambi=1 { N:126.8 } ::sumAvg: 4.82 atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } ::sumAvg: 4.48 atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 40 5L-HG G 0.94 ambi=1 { CG:27.6 } ::sumAvg: 4.48 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } :: atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } ::sumAvg: 4.67 atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } :: atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } ::sumAvg: 4.1 atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } :: atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } ::sumAvg: 4.1 atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } :: atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.36 atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } :: atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } ::sumAvg: 4.495 atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } :: atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } ::sumAvg: 4.495 atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 119 14C-HA A 3.51 ambi=1 {attached_atom is not_assigned} :: atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } atom: 119 14C-HA A 3.51 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.545 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } :: atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } ::sumAvg: 3.52 atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 125 15D-HA A 4.16 ambi=1 { CA:57.4 } :: atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } atom: 125 15D-HA A 4.16 ambi=1 { CA:57.4 } ::sumAvg: 4.945 atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 144 17A-H N 7.84 ambi=1 { N:125 } :: atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } atom: 144 17A-H N 7.84 ambi=1 { N:125 } ::sumAvg: 4.625 atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } :: atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } ::sumAvg: 4.36 atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 180 21L-HG G 1.25 ambi=1 { CG:27.7 } :: atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } atom: 180 21L-HG G 1.25 ambi=1 { CG:27.7 } ::sumAvg: 4.08 atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } :: atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } ::sumAvg: 4.76 atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } :: atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } ::sumAvg: 4.335 atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } :: atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } ::sumAvg: 3.37 atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } :: atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } ::sumAvg: 4.425 atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 477 51L-HB2 B 0.78 ambi=1 { CB:46.1 } :: atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } :: atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } ::sumAvg: 3.445 atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } :: atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.5 atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } :: atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } ::sumAvg: 4.975 atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } :: atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } ::sumAvg: 4.975 atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } :: atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } ::sumAvg: 4.74 atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 41 5L-HD1 D1 0.37 ambi=2 { CD1:26.7 } :: atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 42 5L-HD2 D2 0.58 ambi=2 { CD2:23.3 } ::sumAvg: 4.74 atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } ::sumAvg: 4.67 atom: 289 32V-HB B 1.09 ambi=1 { CB:33.9 } atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } ::sumAvg: 4.83 atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } ::sumAvg: 4.16 atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } :: atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } ::sumAvg: 4.55 atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } atom: 49 6Y-H N 9.33 ambi=1 { N:128.7 } ::sumAvg: 3.565 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 2.87 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } ::sumAvg: 4.605 atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } ::sumAvg: 4.605 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } ::sumAvg: 4.455 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } ::sumAvg: 3.85 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 287 32V-H N 8.23 ambi=1 { N:126.8 } ::sumAvg: 2.86 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } ::sumAvg: 4.825 atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } ::sumAvg: 4.825 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 289 32V-HB B 1.09 ambi=1 { CB:33.9 } ::sumAvg: 2.795 atom: 289 32V-HB B 1.09 ambi=1 { CB:33.9 } atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } ::sumAvg: 2.795 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } :: atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } ::sumAvg: 3.74 atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } :: atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } ::sumAvg: 3.74 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } ::sumAvg: 3.84 atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } :: atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } ::sumAvg: 4.79 atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } :: atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } atom: 50 6Y-HA A 4.76 ambi=1 { CA:58.1 } ::sumAvg: 4.79 atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } :: atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } ::sumAvg: 4.455 atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} :: atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.185 atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } atom: 289 32V-HB B 1.09 ambi=1 { CB:33.9 } ::sumAvg: 4.55 atom: 289 32V-HB B 1.09 ambi=1 { CB:33.9 } atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } ::sumAvg: 4.55 atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } :: atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } ::sumAvg: 4.58 atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } ::sumAvg: 4.495 atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } ::sumAvg: 4.495 atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 4.27 atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } :: atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } ::sumAvg: 4.39 atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } :: atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } ::sumAvg: 3.93 atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } :: atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } ::sumAvg: 3.93 atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } :: atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } ::sumAvg: 4.175 atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } :: atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } ::sumAvg: 4.175 atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } :: atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } ::sumAvg: 3.835 atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } atom: 465 50V-H N 7.7 ambi=1 { N:120 } :: atom: 52 6Y-HB3 B 2.34 ambi=1 { CB:38.6 } atom: 465 50V-H N 7.7 ambi=1 { N:120 } ::sumAvg: 2.32 atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } ::sumAvg: 4.85 atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 51 6Y-HB2 B 2 ambi=1 { CB:38.6 } ::sumAvg: 4.85 atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } atom: 64 7Q-H N 8.51 ambi=1 { N:118.2 } ::sumAvg: 3.98 atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } atom: 287 32V-H N 8.23 ambi=1 { N:126.8 } ::sumAvg: 4.755 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.595 atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } ::sumAvg: 4.56 atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } atom: 315 34I-HA A 4.09 ambi=1 { CA:62.1 } ::sumAvg: 4.42 atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } ::sumAvg: 4.875 atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.875 atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } :: atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } ::sumAvg: 4.91 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } :: atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.91 atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } atom: 465 50V-H N 7.7 ambi=1 { N:120 } ::sumAvg: 3.655 atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } ::sumAvg: 4.795 atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.795 atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } atom: 475 51L-H N 8.85 ambi=1 { N:128.4 } ::sumAvg: 4.785 atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } ::sumAvg: 3.775 atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 3.775 atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } :: atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.945 atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.15 atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } :: atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.165 atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } atom: 53 6Y-QD D 6.21 ambi=3 { CD1:130.8 } ::sumAvg: 4.65 atom: 467 50V-HB B 1.53 ambi=1 { CB:37.1 } atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } ::sumAvg: 4.44 atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.39 atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 4.875 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } ::sumAvg: 4.875 atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } ::sumAvg: 3.54 atom: 55 6Y-QE E 6.29 ambi=3 { CE1:117.3 } atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } ::sumAvg: 4.17 atom: 94 10D-HB2 B 2.29 ambi=1 { CB:39.5 } atom: 99 11C-H N 8.02 ambi=1 { N:122 } :: atom: 95 10D-HB3 B 2.25 ambi=1 { CB:39.5 } atom: 99 11C-H N 8.02 ambi=1 { N:122 } ::sumAvg: 3.695 atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } atom: 64 7Q-H N 8.51 ambi=1 { N:118.2 } ::sumAvg: 2.69 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 64 7Q-H N 8.51 ambi=1 { N:118.2 } ::sumAvg: 4.675 atom: 289 32V-HB B 1.09 ambi=1 { CB:33.9 } atom: 64 7Q-H N 8.51 ambi=1 { N:118.2 } ::sumAvg: 4.28 atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 64 7Q-H N 8.51 ambi=1 { N:118.2 } ::sumAvg: 4.645 atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.465 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.395 atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.39 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.89 atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.655 atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.655 atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.825 atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.855 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 65 7Q-HA A 4.67 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.965 atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } ::sumAvg: 4.435 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } ::sumAvg: 4.435 atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } ::sumAvg: 4.73 atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } :: atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } ::sumAvg: 2.87 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } ::sumAvg: 2.87 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } ::sumAvg: 4.65 atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 4.515 atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } ::sumAvg: 4.515 atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } ::sumAvg: 4.205 atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } ::sumAvg: 4.205 atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } :: atom: 66 7Q-HB2 B 1.37 ambi=2 { CB:33.9 } atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } ::sumAvg: 3.81 atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } ::sumAvg: 4.555 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } ::sumAvg: 4.555 atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } ::sumAvg: 4.87 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } ::sumAvg: 3.54 atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } ::sumAvg: 3.89 atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } ::sumAvg: 3.89 atom: 282 31S-HB2 B 3.12 ambi=2 { CB:64.4 } atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } :: atom: 283 31S-HB3 B 3.5 ambi=2 { CB:64.4 } atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } ::sumAvg: 3.565 atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } atom: 287 32V-H N 8.23 ambi=1 { N:126.8 } ::sumAvg: 3.485 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } ::sumAvg: 3.7 atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 3.79 atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } ::sumAvg: 3.79 atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } ::sumAvg: 3.69 atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } ::sumAvg: 3.69 atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } atom: 305 33F-HZ Z 7.05 ambi=1 { CZ:128.9 } ::sumAvg: 4.235 atom: 305 33F-HZ Z 7.05 ambi=1 { CZ:128.9 } atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } ::sumAvg: 4.235 atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } :: atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } ::sumAvg: 4.22 atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } :: atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } atom: 67 7Q-QG G 1.705 ambi=2 { CG:34.8 } ::sumAvg: 4.22 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } :: atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } ::sumAvg: 2.415 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } :: atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } ::sumAvg: 3.055 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } :: atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } ::sumAvg: 3.545 atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } :: atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } ::sumAvg: 3.545 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 86 9D-HA A 4.29 ambi=1 { CA:55.9 } ::sumAvg: 4.495 atom: 86 9D-HA A 4.29 ambi=1 { CA:55.9 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } ::sumAvg: 4.495 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } :: atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } ::sumAvg: 4.62 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } :: atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } ::sumAvg: 3.96 atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } :: atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } ::sumAvg: 3.96 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 2.975 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } ::sumAvg: 4.315 atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } ::sumAvg: 4.315 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } ::sumAvg: 3.51 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } ::sumAvg: 3.59 atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } ::sumAvg: 3.59 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } ::sumAvg: 4.79 atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } ::sumAvg: 4.79 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 4.64 atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } ::sumAvg: 4.64 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 327 35D-H N 8.09 ambi=1 { N:115.7 } ::sumAvg: 3.695 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } :: atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } ::sumAvg: 3.71 atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } :: atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } ::sumAvg: 3.865 atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } :: atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } atom: 72 8R-HA A 5.08 ambi=1 { CA:54.5 } ::sumAvg: 3.865 atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 79 8R-HE E 7.57 ambi=1 { NE:83.9 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 79 8R-HE E 7.57 ambi=1 { NE:83.9 } ::sumAvg: 3.59 atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } :: atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } ::sumAvg: 4.48 atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } :: atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } :: atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } :: atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } ::sumAvg: 4.48 atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } ::sumAvg: 4.5 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } :: atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } ::sumAvg: 4.5 atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 4.57 atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } :: atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } ::sumAvg: 4.57 atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } ::sumAvg: 3.62 atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } ::sumAvg: 3.54 atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } :: atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } ::sumAvg: 3.54 atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } ::sumAvg: 4.885 atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } :: atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } ::sumAvg: 4.885 atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 3.575 atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 327 35D-H N 8.09 ambi=1 { N:115.7 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 327 35D-H N 8.09 ambi=1 { N:115.7 } ::sumAvg: 4.075 atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } ::sumAvg: 4.785 atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } :: atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } ::sumAvg: 4.785 atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } :: atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } :: atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } ::sumAvg: 3.975 atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } :: atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } atom: 73 8R-HB2 B 1.57 ambi=2 { CB:33.5 } :: atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } :: atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } atom: 74 8R-HB3 B 1.74 ambi=2 { CB:33.5 } ::sumAvg: 3.975 atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } atom: 79 8R-HE E 7.57 ambi=1 { NE:83.9 } :: atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } atom: 79 8R-HE E 7.57 ambi=1 { NE:83.9 } ::sumAvg: 2.985 atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } :: atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } ::sumAvg: 3.23 atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } :: atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } :: atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } :: atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } ::sumAvg: 4.28 atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } :: atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } :: atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } :: atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } ::sumAvg: 4.28 atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } :: atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 4.305 atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } :: atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } ::sumAvg: 4.305 atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } :: atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } ::sumAvg: 4.425 atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } :: atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } ::sumAvg: 3.73 atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } :: atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 3.79 atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } :: atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } ::sumAvg: 3.79 atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } atom: 327 35D-H N 8.09 ambi=1 { N:115.7 } :: atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } atom: 327 35D-H N 8.09 ambi=1 { N:115.7 } ::sumAvg: 4.59 atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } :: atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } ::sumAvg: 4.96 atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } :: atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } :: atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } :: atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } ::sumAvg: 4.8 atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } :: atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } atom: 75 8R-HG2 G 1.38 ambi=2 { CG:27.4 } :: atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } :: atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } atom: 76 8R-HG3 G 1.45 ambi=2 { CG:27.4 } ::sumAvg: 4.8 atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } atom: 79 8R-HE E 7.57 ambi=1 { NE:83.9 } :: atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } atom: 79 8R-HE E 7.57 ambi=1 { NE:83.9 } ::sumAvg: 2.68 atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } :: atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } ::sumAvg: 4.42 atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } :: atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } :: atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } :: atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } ::sumAvg: 4.455 atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } :: atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } ::sumAvg: 3.38 atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } :: atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } ::sumAvg: 3.38 atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } :: atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 3.885 atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } :: atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } ::sumAvg: 3.885 atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } :: atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } ::sumAvg: 4.635 atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } :: atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } ::sumAvg: 4.795 atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } atom: 77 8R-HD2 D 3.04 ambi=2 { CD:43.1 } :: atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } atom: 78 8R-HD3 D 3.1 ambi=2 { CD:43.1 } ::sumAvg: 4.795 atom: 86 9D-HA A 4.29 ambi=1 { CA:55.9 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } ::sumAvg: 2.485 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } ::sumAvg: 4.92 atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } :: atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } ::sumAvg: 4.745 atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } ::sumAvg: 3.27 atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } ::sumAvg: 3.805 atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } :: atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } atom: 85 9D-H N 9.74 ambi=1 { N:123.8 } ::sumAvg: 4.06 atom: 86 9D-HA A 4.29 ambi=1 { CA:55.9 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 3.875 atom: 86 9D-HA A 4.29 ambi=1 { CA:55.9 } atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } ::sumAvg: 3.595 atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } :: atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 4.535 atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } :: atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } ::sumAvg: 4.535 atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } :: atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } ::sumAvg: 4.965 atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } atom: 87 9D-HB2 B 2.36 ambi=2 { CB:40.8 } :: atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } atom: 88 9D-HB3 B 2.31 ambi=2 { CB:40.8 } ::sumAvg: 4.965 atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } atom: 92 10D-H N 8.31 ambi=1 { N:120 } ::sumAvg: 4.29 atom: 93 10D-HA A 4.2 ambi=1 { CA:54.1 } atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } :: atom: 93 10D-HA A 4.2 ambi=1 { CA:54.1 } atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } ::sumAvg: 4.785 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 93 10D-HA A 4.2 ambi=1 { CA:54.1 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 93 10D-HA A 4.2 ambi=1 { CA:54.1 } ::sumAvg: 4.785 atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } atom: 102 12H-HE1 E1 7.91 ambi=1 { CE1:135.7 } ::sumAvg: 4.24 atom: 102 12H-HE1 E1 7.91 ambi=1 { CE1:135.7 } atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } ::sumAvg: 4.24 atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } ::sumAvg: 3.9 atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } atom: 109 13L-HG G 1.19 ambi=1 { CG:26.5 } ::sumAvg: 4.04 atom: 109 13L-HG G 1.19 ambi=1 { CG:26.5 } atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } ::sumAvg: 4.04 atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 3.92 atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } ::sumAvg: 3.92 atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } :: atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } ::sumAvg: 4.95 atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } :: atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 101 12H-HD2 D2 6.91 ambi=1 { CD2:119.7 } ::sumAvg: 4.95 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 99 11C-H N 8.02 ambi=1 { N:122 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 99 11C-H N 8.02 ambi=1 { N:122 } ::sumAvg: 3.75 atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } atom: 151 18V-HA A 3.21 ambi=1 { CA:67.1 } ::sumAvg: 4.78 atom: 151 18V-HA A 3.21 ambi=1 { CA:67.1 } atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } ::sumAvg: 4.78 atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } atom: 160 19E-H N 7.44 ambi=1 { N:120.1 } ::sumAvg: 4.385 atom: 180 21L-HG G 1.25 ambi=1 { CG:27.7 } atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } ::sumAvg: 4.41 atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } :: atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } ::sumAvg: 4.8 atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } :: atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } ::sumAvg: 4.8 atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } :: atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } ::sumAvg: 4.755 atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } :: atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } ::sumAvg: 4.755 atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } ::sumAvg: 4.82 atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } ::sumAvg: 3.455 atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } ::sumAvg: 3.16 atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } ::sumAvg: 3.16 atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 145 17A-HA A 3.93 ambi=1 { CA:55.3 } atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } ::sumAvg: 4.345 atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } ::sumAvg: 4.63 atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } ::sumAvg: 4.63 atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 151 18V-HA A 3.21 ambi=1 { CA:67.1 } ::sumAvg: 3.84 atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 160 19E-H N 7.44 ambi=1 { N:120.1 } ::sumAvg: 4.535 atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 176 21L-H N 7.89 ambi=1 { N:118.8 } ::sumAvg: 4.645 atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } ::sumAvg: 3.935 atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } ::sumAvg: 3.935 atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 477 51L-HB2 B 0.78 ambi=1 { CB:46.1 } ::sumAvg: 4.61 atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } ::sumAvg: 4.935 atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } ::sumAvg: 4.935 atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } ::sumAvg: 3.455 atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } ::sumAvg: 4.485 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } ::sumAvg: 2.8 atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } ::sumAvg: 2.205 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } ::sumAvg: 4.53 atom: 136 16Q-HG3 G 2.34 ambi=1 { CG:34.9 } atom: 105 13L-H N 8.67 ambi=1 { N:124.3 } ::sumAvg: 4.875 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } ::sumAvg: 4.895 atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } ::sumAvg: 4.895 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } :: atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } ::sumAvg: 2.615 atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } ::sumAvg: 2.615 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 109 13L-HG G 1.19 ambi=1 { CG:26.5 } ::sumAvg: 3 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 1.99 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } ::sumAvg: 3.57 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } ::sumAvg: 4.24 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } :: atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } ::sumAvg: 4.93 atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } :: atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } ::sumAvg: 4.93 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 131 16Q-H N 7.39 ambi=1 { N:120 } ::sumAvg: 3.175 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } :: atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } ::sumAvg: 2.59 atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } ::sumAvg: 2.59 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 135 16Q-HG2 G 2.2 ambi=1 { CG:34.9 } :: atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 136 16Q-HG3 G 2.34 ambi=1 { CG:34.9 } ::sumAvg: 2.975 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 137 16Q-HE21 E2 7.04 ambi=2 { NE2:110.9 } :: atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 138 16Q-HE22 E2 6.86 ambi=2 { NE2:110.9 } ::sumAvg: 4.305 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 144 17A-H N 7.84 ambi=1 { N:125 } ::sumAvg: 4.305 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } :: atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.535 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } ::sumAvg: 3.365 atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } ::sumAvg: 3.365 atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } ::sumAvg: 3.94 atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 106 13L-HA A 3.41 ambi=1 { CA:56.6 } ::sumAvg: 3.94 atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } ::sumAvg: 2.645 atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 119 14C-HA A 3.51 ambi=1 {attached_atom is not_assigned} :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 119 14C-HA A 3.51 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.275 atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } :: atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } ::sumAvg: 4.68 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } :: atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } ::sumAvg: 4.68 atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } ::sumAvg: 4.875 atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } :: atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } ::sumAvg: 4.34 atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } :: atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } ::sumAvg: 4.34 atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } ::sumAvg: 3.54 atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } :: atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 2.2 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } ::sumAvg: 2.2 atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } :: atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } ::sumAvg: 3.595 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } :: atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } ::sumAvg: 3.595 atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 588 61W-HE1 E1 10.25 ambi=1 { NE1:131.8 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 588 61W-HE1 E1 10.25 ambi=1 { NE1:131.8 } ::sumAvg: 3.92 atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } ::sumAvg: 3.56 atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } :: atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } ::sumAvg: 3.56 atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } :: atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } ::sumAvg: 4.325 atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 107 13L-HB2 B -0.15 ambi=2 { CB:39.7 } :: atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 108 13L-HB3 B 1.19 ambi=2 { CB:39.7 } ::sumAvg: 4.325 atom: 109 13L-HG G 1.19 ambi=1 { CG:26.5 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } ::sumAvg: 4.42 atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } ::sumAvg: 4.63 atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 131 16Q-H N 7.39 ambi=1 { N:120 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 131 16Q-H N 7.39 ambi=1 { N:120 } ::sumAvg: 4.68 atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } :: atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } ::sumAvg: 3.625 atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 3.625 atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 135 16Q-HG2 G 2.2 ambi=1 { CG:34.9 } :: atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 136 16Q-HG3 G 2.34 ambi=1 { CG:34.9 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 135 16Q-HG2 G 2.2 ambi=1 { CG:34.9 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 136 16Q-HG3 G 2.34 ambi=1 { CG:34.9 } ::sumAvg: 3.835 atom: 135 16Q-HG2 G 2.2 ambi=1 { CG:34.9 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 136 16Q-HG3 G 2.34 ambi=1 { CG:34.9 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 135 16Q-HG2 G 2.2 ambi=1 { CG:34.9 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } :: atom: 136 16Q-HG3 G 2.34 ambi=1 { CG:34.9 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 3.835 atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 417 46L-HA A 4.38 ambi=1 { CA:54.9 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 417 46L-HA A 4.38 ambi=1 { CA:54.9 } ::sumAvg: 4.395 atom: 417 46L-HA A 4.38 ambi=1 { CA:54.9 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 417 46L-HA A 4.38 ambi=1 { CA:54.9 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 4.395 atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 419 46L-HB3 B 1.52 ambi=1 { CB:41.6 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 419 46L-HB3 B 1.52 ambi=1 { CB:41.6 } ::sumAvg: 4.61 atom: 419 46L-HB3 B 1.52 ambi=1 { CB:41.6 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 419 46L-HB3 B 1.52 ambi=1 { CB:41.6 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 4.61 atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } ::sumAvg: 4.42 atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 4.42 atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } ::sumAvg: 4.78 atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 4.78 atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } ::sumAvg: 4.715 atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } :: atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 4.715 atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } :: atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 2.915 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 2.915 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 3.385 atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } :: atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } ::sumAvg: 4.04 atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 110 13L-HD1 D1 0.52 ambi=2 { CD1:24.6 } :: atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 111 13L-HD2 D2 0.51 ambi=2 { CD2:21.9 } ::sumAvg: 4.04 atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } ::sumAvg: 4.55 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } ::sumAvg: 2.21 atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } :: atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } ::sumAvg: 4.68 atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } :: atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } ::sumAvg: 3.82 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 118 14C-H N 8.56 ambi=1 { N:122.7 } ::sumAvg: 4.93 atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 119 14C-HA A 3.51 ambi=1 {attached_atom is not_assigned} :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 119 14C-HA A 3.51 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.925 atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 119 14C-HA A 3.51 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.965 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 119 14C-HA A 3.51 ambi=1 {attached_atom is not_assigned} :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 119 14C-HA A 3.51 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.745 atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 119 14C-HA A 3.51 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.885 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } ::sumAvg: 4.125 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } ::sumAvg: 2.645 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 125 15D-HA A 4.16 ambi=1 { CA:57.4 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 125 15D-HA A 4.16 ambi=1 { CA:57.4 } ::sumAvg: 4.285 atom: 125 15D-HA A 4.16 ambi=1 { CA:57.4 } atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } :: atom: 125 15D-HA A 4.16 ambi=1 { CA:57.4 } atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } ::sumAvg: 4.285 atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } :: atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } ::sumAvg: 4.65 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 131 16Q-H N 7.39 ambi=1 { N:120 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 131 16Q-H N 7.39 ambi=1 { N:120 } ::sumAvg: 4.98 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } ::sumAvg: 3.765 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 150 18V-H N 7.7 ambi=1 { N:118.2 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 150 18V-H N 7.7 ambi=1 { N:118.2 } ::sumAvg: 4.965 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } :: atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } ::sumAvg: 4.845 atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 120 14C-HB2 B 2.91 ambi=2 { CB:27.6 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 121 14C-HB3 B 3.17 ambi=2 { CB:27.6 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } ::sumAvg: 4.595 atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } ::sumAvg: 4.655 atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } ::sumAvg: 4.66 atom: 136 16Q-HG3 G 2.34 ambi=1 { CG:34.9 } atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } ::sumAvg: 4.415 atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } :: atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } atom: 124 15D-H N 7.58 ambi=1 { N:118.6 } ::sumAvg: 4.57 atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } atom: 132 16Q-HA A 3.92 ambi=1 { CA:58.8 } :: atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 132 16Q-HA A 3.92 ambi=1 { CA:58.8 } ::sumAvg: 4.105 atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } :: atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } :: atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } :: atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } ::sumAvg: 4.78 atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } :: atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } ::sumAvg: 4.78 atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 135 16Q-HG2 G 2.2 ambi=1 { CG:34.9 } ::sumAvg: 4.56 atom: 135 16Q-HG2 G 2.2 ambi=1 { CG:34.9 } atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } ::sumAvg: 4.56 atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } atom: 144 17A-H N 7.84 ambi=1 { N:125 } :: atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 144 17A-H N 7.84 ambi=1 { N:125 } ::sumAvg: 4.93 atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } :: atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } ::sumAvg: 4.67 atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } :: atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } ::sumAvg: 4.67 atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } :: atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } ::sumAvg: 4.885 atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } :: atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } :: atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } :: atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } ::sumAvg: 4.885 atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } atom: 162 19E-HB2 B 1.99 ambi=2 { CB:29.1 } :: atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } atom: 163 19E-HB3 B 1.95 ambi=2 { CB:29.1 } :: atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 162 19E-HB2 B 1.99 ambi=2 { CB:29.1 } :: atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } atom: 163 19E-HB3 B 1.95 ambi=2 { CB:29.1 } ::sumAvg: 4.925 atom: 162 19E-HB2 B 1.99 ambi=2 { CB:29.1 } atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } :: atom: 163 19E-HB3 B 1.95 ambi=2 { CB:29.1 } atom: 126 15D-HB2 B 2.54 ambi=2 { CB:39.6 } :: atom: 162 19E-HB2 B 1.99 ambi=2 { CB:29.1 } atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } :: atom: 163 19E-HB3 B 1.95 ambi=2 { CB:29.1 } atom: 127 15D-HB3 B 2.62 ambi=2 { CB:39.6 } ::sumAvg: 4.925 atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 131 16Q-H N 7.39 ambi=1 { N:120 } ::sumAvg: 4.135 atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 131 16Q-H N 7.39 ambi=1 { N:120 } ::sumAvg: 4.28 atom: 132 16Q-HA A 3.92 ambi=1 { CA:58.8 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } ::sumAvg: 4.985 atom: 132 16Q-HA A 3.92 ambi=1 { CA:58.8 } atom: 150 18V-H N 7.7 ambi=1 { N:118.2 } ::sumAvg: 4.335 atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } ::sumAvg: 4.02 atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } :: atom: 146 17A-HB B 1.18 ambi=1 { CB:18.7 } atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } ::sumAvg: 4.02 atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 137 16Q-HE21 E2 7.04 ambi=2 { NE2:110.9 } :: atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 138 16Q-HE22 E2 6.86 ambi=2 { NE2:110.9 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 137 16Q-HE21 E2 7.04 ambi=2 { NE2:110.9 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 138 16Q-HE22 E2 6.86 ambi=2 { NE2:110.9 } ::sumAvg: 4.33 atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } ::sumAvg: 4.24 atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } ::sumAvg: 3.31 atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } :: atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } ::sumAvg: 4.225 atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 133 16Q-HB2 B 2 ambi=2 { CB:29.4 } :: atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 134 16Q-HB3 B 2.08 ambi=2 { CB:29.4 } ::sumAvg: 4.225 atom: 136 16Q-HG3 G 2.34 ambi=1 { CG:34.9 } atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } ::sumAvg: 4.655 atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } atom: 136 16Q-HG3 G 2.34 ambi=1 { CG:34.9 } ::sumAvg: 4.655 atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 135 16Q-HG2 G 2.2 ambi=1 { CG:34.9 } :: atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 136 16Q-HG3 G 2.34 ambi=1 { CG:34.9 } ::sumAvg: 4.33 atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } atom: 144 17A-H N 7.84 ambi=1 { N:125 } ::sumAvg: 4.655 atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 144 17A-H N 7.84 ambi=1 { N:125 } ::sumAvg: 3.64 atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 144 17A-H N 7.84 ambi=1 { N:125 } ::sumAvg: 3.29 atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } atom: 161 19E-HA A 4.08 ambi=1 { CA:58.7 } ::sumAvg: 4.315 atom: 161 19E-HA A 4.08 ambi=1 { CA:58.7 } atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } ::sumAvg: 4.315 atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } :: atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } ::sumAvg: 4.76 atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } atom: 254 29F-HZ Z 7.1 ambi=1 { CZ:130.7 } ::sumAvg: 4.895 atom: 254 29F-HZ Z 7.1 ambi=1 { CZ:130.7 } atom: 152 18V-HB B 2.08 ambi=1 { CB:31.7 } ::sumAvg: 4.895 atom: 162 19E-HB2 B 1.99 ambi=2 { CB:29.1 } atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 163 19E-HB3 B 1.95 ambi=2 { CB:29.1 } atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 162 19E-HB2 B 1.99 ambi=2 { CB:29.1 } atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } :: atom: 163 19E-HB3 B 1.95 ambi=2 { CB:29.1 } atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } ::sumAvg: 4.265 atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } :: atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } ::sumAvg: 4.625 atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } :: atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } ::sumAvg: 4.625 atom: 153 18V-HG1 G1 0.91 ambi=2 { CG1:21.2 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } :: atom: 154 18V-HG2 G2 0.86 ambi=2 { CG2:23.1 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 4.615 atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } atom: 150 18V-H N 7.7 ambi=1 { N:118.2 } ::sumAvg: 4.785 atom: 151 18V-HA A 3.21 ambi=1 { CA:67.1 } atom: 161 19E-HA A 4.08 ambi=1 { CA:58.7 } ::sumAvg: 4.745 atom: 161 19E-HA A 4.08 ambi=1 { CA:58.7 } atom: 151 18V-HA A 3.21 ambi=1 { CA:67.1 } ::sumAvg: 4.745 atom: 151 18V-HA A 3.21 ambi=1 { CA:67.1 } atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } ::sumAvg: 4.35 atom: 151 18V-HA A 3.21 ambi=1 { CA:67.1 } atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } ::sumAvg: 4.935 atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } atom: 151 18V-HA A 3.21 ambi=1 { CA:67.1 } ::sumAvg: 4.935 atom: 151 18V-HA A 3.21 ambi=1 { CA:67.1 } atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } ::sumAvg: 4.95 atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } atom: 151 18V-HA A 3.21 ambi=1 { CA:67.1 } ::sumAvg: 4.95 atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } atom: 151 18V-HA A 3.21 ambi=1 { CA:67.1 } ::sumAvg: 4.05 atom: 254 29F-HZ Z 7.1 ambi=1 { CZ:130.7 } atom: 151 18V-HA A 3.21 ambi=1 { CA:67.1 } ::sumAvg: 3.73 atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } atom: 216 25R-HB2 B 1.71 ambi=1 { CB:26.1 } ::sumAvg: 4.335 atom: 216 25R-HB2 B 1.71 ambi=1 { CB:26.1 } atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } ::sumAvg: 4.335 atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } atom: 218 25R-QG G 1.44 ambi=2 { CG:27.3 } ::sumAvg: 4.075 atom: 218 25R-QG G 1.44 ambi=2 { CG:27.3 } atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } ::sumAvg: 4.075 atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } ::sumAvg: 4.02 atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } ::sumAvg: 4.84 atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } ::sumAvg: 4.55 atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } atom: 682 69R-HD2 D 3.3 ambi=2 { CD:43.4 } :: atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } atom: 683 69R-HD3 D 3.14 ambi=2 { CD:43.4 } ::sumAvg: 3.495 atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 4.805 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } ::sumAvg: 4.805 atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } atom: 215 25R-HA A 3.88 ambi=1 { CA:56.3 } ::sumAvg: 4.625 atom: 230 26A-HA A 3.77 ambi=1 { CA:53.5 } atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } ::sumAvg: 3.845 atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } ::sumAvg: 4.72 atom: 637 66P-HA A 4.13 ambi=1 { CA:66.2 } atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } ::sumAvg: 4.4 atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } ::sumAvg: 4.28 atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } ::sumAvg: 4.365 atom: 161 19E-HA A 4.08 ambi=1 { CA:58.7 } atom: 178 21L-HB2 B 1.15 ambi=1 { CB:41.1 } ::sumAvg: 4.825 atom: 178 21L-HB2 B 1.15 ambi=1 { CB:41.1 } atom: 161 19E-HA A 4.08 ambi=1 { CA:58.7 } ::sumAvg: 4.825 atom: 161 19E-HA A 4.08 ambi=1 { CA:58.7 } atom: 199 23Q-HG2 G 2.33 ambi=2 { CG:33.5 } :: atom: 161 19E-HA A 4.08 ambi=1 { CA:58.7 } atom: 200 23Q-HG3 G 2.48 ambi=2 { CG:33.5 } ::sumAvg: 4.365 atom: 162 19E-HB2 B 1.99 ambi=2 { CB:29.1 } atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } :: atom: 163 19E-HB3 B 1.95 ambi=2 { CB:29.1 } atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } ::sumAvg: 4.735 atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } atom: 162 19E-HB2 B 1.99 ambi=2 { CB:29.1 } :: atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } atom: 163 19E-HB3 B 1.95 ambi=2 { CB:29.1 } ::sumAvg: 4.735 atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } atom: 164 19E-HG2 G 2.25 ambi=2 { CG:35.8 } :: atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } atom: 165 19E-HG3 G 2.15 ambi=2 { CG:35.8 } ::sumAvg: 4.71 atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } atom: 164 19E-HG2 G 2.25 ambi=2 { CG:35.8 } :: atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } atom: 165 19E-HG3 G 2.15 ambi=2 { CG:35.8 } ::sumAvg: 3.935 atom: 164 19E-HG2 G 2.25 ambi=2 { CG:35.8 } atom: 195 23Q-H N 8.53 ambi=1 { N:120.2 } :: atom: 165 19E-HG3 G 2.15 ambi=2 { CG:35.8 } atom: 195 23Q-H N 8.53 ambi=1 { N:120.2 } ::sumAvg: 4.285 atom: 178 21L-HB2 B 1.15 ambi=1 { CB:41.1 } atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } ::sumAvg: 4.395 atom: 180 21L-HG G 1.25 ambi=1 { CG:27.7 } atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } ::sumAvg: 4.595 atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } ::sumAvg: 4.8 atom: 199 23Q-HG2 G 2.33 ambi=2 { CG:33.5 } atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } :: atom: 200 23Q-HG3 G 2.48 ambi=2 { CG:33.5 } atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } ::sumAvg: 4.51 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 170 20A-H N 8.06 ambi=1 { N:122.9 } ::sumAvg: 4.74 atom: 171 20A-HA A 4.09 ambi=1 { CA:55.2 } atom: 177 21L-HA A 3.52 ambi=1 { CA:58.8 } ::sumAvg: 4.805 atom: 177 21L-HA A 3.52 ambi=1 { CA:58.8 } atom: 171 20A-HA A 4.09 ambi=1 { CA:55.2 } ::sumAvg: 4.805 atom: 171 20A-HA A 4.09 ambi=1 { CA:55.2 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } ::sumAvg: 4.72 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 171 20A-HA A 4.09 ambi=1 { CA:55.2 } ::sumAvg: 4.72 atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } atom: 171 20A-HA A 4.09 ambi=1 { CA:55.2 } ::sumAvg: 3.545 atom: 171 20A-HA A 4.09 ambi=1 { CA:55.2 } atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 171 20A-HA A 4.09 ambi=1 { CA:55.2 } atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } ::sumAvg: 4.045 atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } :: atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } ::sumAvg: 4.21 atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } atom: 195 23Q-H N 8.53 ambi=1 { N:120.2 } ::sumAvg: 4.39 atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } atom: 199 23Q-HG2 G 2.33 ambi=2 { CG:33.5 } :: atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } atom: 200 23Q-HG3 G 2.48 ambi=2 { CG:33.5 } ::sumAvg: 4.235 atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } atom: 208 24A-H N 8.25 ambi=1 { N:119.1 } ::sumAvg: 4.495 atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } :: atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } ::sumAvg: 4.295 atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } ::sumAvg: 4.135 atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } ::sumAvg: 3.405 atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } ::sumAvg: 3.405 atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } ::sumAvg: 4.555 atom: 172 20A-HB B 1.43 ambi=1 { CB:17.1 } atom: 632 65A-HA A 4.17 ambi=1 { CA:57.1 } ::sumAvg: 3.13 atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } atom: 176 21L-H N 7.89 ambi=1 { N:118.8 } ::sumAvg: 4.575 atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } atom: 176 21L-H N 7.89 ambi=1 { N:118.8 } ::sumAvg: 4.86 atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } atom: 176 21L-H N 7.89 ambi=1 { N:118.8 } :: atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } atom: 176 21L-H N 7.89 ambi=1 { N:118.8 } ::sumAvg: 4.825 atom: 177 21L-HA A 3.52 ambi=1 { CA:58.8 } atom: 190 22A-HA A 4.1 ambi=1 { CA:54.8 } ::sumAvg: 4.755 atom: 190 22A-HA A 4.1 ambi=1 { CA:54.8 } atom: 177 21L-HA A 3.52 ambi=1 { CA:58.8 } ::sumAvg: 4.755 atom: 177 21L-HA A 3.52 ambi=1 { CA:58.8 } atom: 195 23Q-H N 8.53 ambi=1 { N:120.2 } ::sumAvg: 4.365 atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } atom: 177 21L-HA A 3.52 ambi=1 { CA:58.8 } :: atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } atom: 177 21L-HA A 3.52 ambi=1 { CA:58.8 } ::sumAvg: 4.26 atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } atom: 177 21L-HA A 3.52 ambi=1 { CA:58.8 } ::sumAvg: 4.115 atom: 177 21L-HA A 3.52 ambi=1 { CA:58.8 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 177 21L-HA A 3.52 ambi=1 { CA:58.8 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 3.875 atom: 178 21L-HB2 B 1.15 ambi=1 { CB:41.1 } atom: 190 22A-HA A 4.1 ambi=1 { CA:54.8 } :: atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } atom: 190 22A-HA A 4.1 ambi=1 { CA:54.8 } ::sumAvg: 4.18 atom: 190 22A-HA A 4.1 ambi=1 { CA:54.8 } atom: 178 21L-HB2 B 1.15 ambi=1 { CB:41.1 } :: atom: 190 22A-HA A 4.1 ambi=1 { CA:54.8 } atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } ::sumAvg: 4.18 atom: 178 21L-HB2 B 1.15 ambi=1 { CB:41.1 } atom: 195 23Q-H N 8.53 ambi=1 { N:120.2 } ::sumAvg: 4.83 atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } ::sumAvg: 2.575 atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } atom: 229 26A-H N 7.76 ambi=1 { N:117.9 } ::sumAvg: 3.825 atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } atom: 235 27G-H N 8.22 ambi=1 { N:105.8 } ::sumAvg: 4.015 atom: 178 21L-HB2 B 1.15 ambi=1 { CB:41.1 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } :: atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 3.88 atom: 178 21L-HB2 B 1.15 ambi=1 { CB:41.1 } atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } :: atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } ::sumAvg: 3.805 atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } atom: 178 21L-HB2 B 1.15 ambi=1 { CB:41.1 } :: atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } atom: 179 21L-HB3 B 1.64 ambi=1 { CB:41.1 } ::sumAvg: 3.805 atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } atom: 180 21L-HG G 1.25 ambi=1 { CG:27.7 } :: atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } atom: 180 21L-HG G 1.25 ambi=1 { CG:27.7 } ::sumAvg: 2.96 atom: 180 21L-HG G 1.25 ambi=1 { CG:27.7 } atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } ::sumAvg: 4.53 atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } atom: 180 21L-HG G 1.25 ambi=1 { CG:27.7 } ::sumAvg: 4.53 atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 180 21L-HG G 1.25 ambi=1 { CG:27.7 } :: atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } atom: 180 21L-HG G 1.25 ambi=1 { CG:27.7 } ::sumAvg: 2.735 atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } :: atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } ::sumAvg: 3.525 atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } :: atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } ::sumAvg: 4.845 atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } :: atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } ::sumAvg: 4.775 atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } :: atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } ::sumAvg: 4.82 atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } :: atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } ::sumAvg: 4.82 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } :: atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } ::sumAvg: 2.83 atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } :: atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } ::sumAvg: 4.66 atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } atom: 181 21L-HD1 D1 -0.19 ambi=2 { CD1:24.9 } :: atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } atom: 182 21L-HD2 D2 0.33 ambi=2 { CD2:25.1 } ::sumAvg: 4.66 atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } atom: 189 22A-H N 7.39 ambi=1 { N:120.9 } ::sumAvg: 4.88 atom: 199 23Q-HG2 G 2.33 ambi=2 { CG:33.5 } atom: 189 22A-H N 7.39 ambi=1 { N:120.9 } :: atom: 200 23Q-HG3 G 2.48 ambi=2 { CG:33.5 } atom: 189 22A-H N 7.39 ambi=1 { N:120.9 } ::sumAvg: 4.45 atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } atom: 189 22A-H N 7.39 ambi=1 { N:120.9 } ::sumAvg: 4.835 atom: 218 25R-QG G 1.44 ambi=2 { CG:27.3 } atom: 190 22A-HA A 4.1 ambi=1 { CA:54.8 } ::sumAvg: 4.53 atom: 190 22A-HA A 4.1 ambi=1 { CA:54.8 } atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } ::sumAvg: 4.53 atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } atom: 190 22A-HA A 4.1 ambi=1 { CA:54.8 } ::sumAvg: 4.53 atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } atom: 197 23Q-HB2 B 1.96 ambi=1 { CB:28.6 } ::sumAvg: 4.545 atom: 197 23Q-HB2 B 1.96 ambi=1 { CB:28.6 } atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } ::sumAvg: 4.545 atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } atom: 199 23Q-HG2 G 2.33 ambi=2 { CG:33.5 } :: atom: 191 22A-HB B 1.48 ambi=1 { CB:17.8 } atom: 200 23Q-HG3 G 2.48 ambi=2 { CG:33.5 } ::sumAvg: 3.79 atom: 196 23Q-HA A 3.9 ambi=1 { CA:58.3 } atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } ::sumAvg: 4.955 atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } atom: 196 23Q-HA A 3.9 ambi=1 { CA:58.3 } ::sumAvg: 4.955 atom: 196 23Q-HA A 3.9 ambi=1 { CA:58.3 } atom: 201 23Q-HE21 E2 7.6 ambi=2 { NE2:112.2 } :: atom: 196 23Q-HA A 3.9 ambi=1 { CA:58.3 } atom: 202 23Q-HE22 E2 6.8 ambi=2 { NE2:112.2 } ::sumAvg: 4.46 atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } atom: 197 23Q-HB2 B 1.96 ambi=1 { CB:28.6 } :: atom: 209 24A-HA A 4.14 ambi=1 { CA:51.9 } atom: 198 23Q-HB3 B 2.08 ambi=1 { CB:28.6 } ::sumAvg: 4.235 atom: 197 23Q-HB2 B 1.96 ambi=1 { CB:28.6 } atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } :: atom: 198 23Q-HB3 B 2.08 ambi=1 { CB:28.6 } atom: 210 24A-HB B 1.32 ambi=1 { CB:19.4 } ::sumAvg: 3.745 atom: 197 23Q-HB2 B 1.96 ambi=1 { CB:28.6 } atom: 214 25R-H N 7.78 ambi=1 { N:114.9 } ::sumAvg: 4.725 atom: 197 23Q-HB2 B 1.96 ambi=1 { CB:28.6 } atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 197 23Q-HB2 B 1.96 ambi=1 { CB:28.6 } atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } ::sumAvg: 4.745 atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 197 23Q-HB2 B 1.96 ambi=1 { CB:28.6 } :: atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } atom: 197 23Q-HB2 B 1.96 ambi=1 { CB:28.6 } ::sumAvg: 4.745 atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } atom: 201 23Q-HE21 E2 7.6 ambi=2 { NE2:112.2 } :: atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } atom: 202 23Q-HE22 E2 6.8 ambi=2 { NE2:112.2 } ::sumAvg: 4.275 atom: 632 65A-HA A 4.17 ambi=1 { CA:57.1 } atom: 208 24A-H N 8.25 ambi=1 { N:119.1 } ::sumAvg: 4.83 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 208 24A-H N 8.25 ambi=1 { N:119.1 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 208 24A-H N 8.25 ambi=1 { N:119.1 } ::sumAvg: 4.995 atom: 216 25R-HB2 B 1.71 ambi=1 { CB:26.1 } atom: 230 26A-HA A 3.77 ambi=1 { CA:53.5 } ::sumAvg: 4.895 atom: 230 26A-HA A 3.77 ambi=1 { CA:53.5 } atom: 216 25R-HB2 B 1.71 ambi=1 { CB:26.1 } ::sumAvg: 4.895 atom: 216 25R-HB2 B 1.71 ambi=1 { CB:26.1 } atom: 222 25R-HE E 7.05 ambi=1 { NE:85 } :: atom: 217 25R-HB3 B 1.9 ambi=1 { CB:26.1 } atom: 222 25R-HE E 7.05 ambi=1 { NE:85 } ::sumAvg: 4.625 atom: 216 25R-HB2 B 1.71 ambi=1 { CB:26.1 } atom: 682 69R-HD2 D 3.3 ambi=2 { CD:43.4 } :: atom: 216 25R-HB2 B 1.71 ambi=1 { CB:26.1 } atom: 683 69R-HD3 D 3.14 ambi=2 { CD:43.4 } ::sumAvg: 3.715 atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } atom: 215 25R-HA A 3.88 ambi=1 { CA:56.3 } ::sumAvg: 4.335 atom: 218 25R-QG G 1.44 ambi=2 { CG:27.3 } atom: 222 25R-HE E 7.05 ambi=1 { NE:85 } ::sumAvg: 2.44 atom: 230 26A-HA A 3.77 ambi=1 { CA:53.5 } atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } :: atom: 230 26A-HA A 3.77 ambi=1 { CA:53.5 } atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } ::sumAvg: 4.23 atom: 230 26A-HA A 3.77 ambi=1 { CA:53.5 } atom: 682 69R-HD2 D 3.3 ambi=2 { CD:43.4 } :: atom: 230 26A-HA A 3.77 ambi=1 { CA:53.5 } atom: 683 69R-HD3 D 3.14 ambi=2 { CD:43.4 } ::sumAvg: 4.29 atom: 237 27G-HA3 A 3.52 ambi=2 { CA:43.7 } atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } :: atom: 236 27G-HA2 A 4.03 ambi=2 { CA:43.7 } atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } ::sumAvg: 4.02 atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } ::sumAvg: 4.495 atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } ::sumAvg: 4.495 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } ::sumAvg: 4.225 atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } ::sumAvg: 4.4 atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } ::sumAvg: 4.4 atom: 677 69R-HA A 3.81 ambi=1 { CA:58.5 } atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } ::sumAvg: 4.765 atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } atom: 682 69R-HD2 D 3.3 ambi=2 { CD:43.4 } :: atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } atom: 683 69R-HD3 D 3.14 ambi=2 { CD:43.4 } ::sumAvg: 4.855 atom: 682 69R-HD2 D 3.3 ambi=2 { CD:43.4 } atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } :: atom: 683 69R-HD3 D 3.14 ambi=2 { CD:43.4 } atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } ::sumAvg: 4.855 atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } ::sumAvg: 4.24 atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } atom: 231 26A-HB B 1.16 ambi=1 { CB:20.9 } ::sumAvg: 4.24 atom: 237 27G-HA3 A 3.52 ambi=2 { CA:43.7 } atom: 229 26A-H N 7.76 ambi=1 { N:117.9 } :: atom: 236 27G-HA2 A 4.03 ambi=2 { CA:43.7 } atom: 229 26A-H N 7.76 ambi=1 { N:117.9 } ::sumAvg: 4.85 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 235 27G-H N 8.22 ambi=1 { N:105.8 } ::sumAvg: 4.73 atom: 241 28A-HA A 4 ambi=1 { CA:52.6 } atom: 237 27G-HA3 A 3.52 ambi=2 { CA:43.7 } ::sumAvg: 4.32 atom: 241 28A-HA A 4 ambi=1 { CA:52.6 } atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } ::sumAvg: 4.41 atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } atom: 241 28A-HA A 4 ambi=1 { CA:52.6 } ::sumAvg: 4.41 atom: 241 28A-HA A 4 ambi=1 { CA:52.6 } atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } ::sumAvg: 4.485 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 241 28A-HA A 4 ambi=1 { CA:52.6 } ::sumAvg: 4.485 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 241 28A-HA A 4 ambi=1 { CA:52.6 } ::sumAvg: 3.125 atom: 241 28A-HA A 4 ambi=1 { CA:52.6 } atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } ::sumAvg: 4.395 atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } atom: 241 28A-HA A 4 ambi=1 { CA:52.6 } ::sumAvg: 4.395 atom: 242 28A-HB B 1.09 ambi=1 { CB:19.1 } atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } ::sumAvg: 4.83 atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } atom: 242 28A-HB B 1.09 ambi=1 { CB:19.1 } ::sumAvg: 4.83 atom: 242 28A-HB B 1.09 ambi=1 { CB:19.1 } atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } ::sumAvg: 3.845 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 242 28A-HB B 1.09 ambi=1 { CB:19.1 } ::sumAvg: 3.845 atom: 242 28A-HB B 1.09 ambi=1 { CB:19.1 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 4.415 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 240 28A-H N 8.05 ambi=1 { N:121.7 } ::sumAvg: 4.975 atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } atom: 246 29F-H N 7.8 ambi=1 { N:117 } ::sumAvg: 4.345 atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } atom: 246 29F-H N 7.8 ambi=1 { N:117 } ::sumAvg: 4.595 atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } :: atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } ::sumAvg: 4.38 atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } :: atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } ::sumAvg: 4.38 atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } ::sumAvg: 4.565 atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } ::sumAvg: 4.565 atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } atom: 267 30F-QD D 7 ambi=3 { CD1:131 } ::sumAvg: 4.665 atom: 267 30F-QD D 7 ambi=3 { CD1:131 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } ::sumAvg: 4.665 atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } :: atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } atom: 248 29F-HB2 B 2.43 ambi=1 { CB:42 } :: atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } :: atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } atom: 249 29F-HB3 B 2.63 ambi=1 { CB:42 } ::sumAvg: 4.69 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 3.725 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } ::sumAvg: 4.375 atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } ::sumAvg: 4.375 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 265 30F-HB2 B 2.73 ambi=1 { CB:40.7 } ::sumAvg: 4.62 atom: 265 30F-HB2 B 2.73 ambi=1 { CB:40.7 } atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } ::sumAvg: 4.62 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 267 30F-QD D 7 ambi=3 { CD1:131 } ::sumAvg: 3.695 atom: 267 30F-QD D 7 ambi=3 { CD1:131 } atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } ::sumAvg: 3.695 atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } atom: 269 30F-QE E 7.04 ambi=3 { CE1:130.8 } ::sumAvg: 4.695 atom: 269 30F-QE E 7.04 ambi=3 { CE1:130.8 } atom: 247 29F-HA A 5.09 ambi=1 { CA:54.7 } ::sumAvg: 4.695 atom: 385 42S-HB2 B 3.82 ambi=2 { CB:62.4 } atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } :: atom: 386 42S-HB3 B 3.78 ambi=2 { CB:62.4 } atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } ::sumAvg: 4.89 atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } ::sumAvg: 4.595 atom: 374 41E-HA A 3.79 ambi=1 { CA:59.9 } atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } ::sumAvg: 4.915 atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } atom: 374 41E-HA A 3.79 ambi=1 { CA:59.9 } ::sumAvg: 4.915 atom: 374 41E-HA A 3.79 ambi=1 { CA:59.9 } atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } ::sumAvg: 3.46 atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } atom: 374 41E-HA A 3.79 ambi=1 { CA:59.9 } ::sumAvg: 3.46 atom: 374 41E-HA A 3.79 ambi=1 { CA:59.9 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } ::sumAvg: 3.98 atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } atom: 374 41E-HA A 3.79 ambi=1 { CA:59.9 } ::sumAvg: 3.98 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 263 30F-H N 8.84 ambi=1 { N:120.7 } ::sumAvg: 3.28 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } ::sumAvg: 3.925 atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 3.925 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 265 30F-HB2 B 2.73 ambi=1 { CB:40.7 } ::sumAvg: 4.92 atom: 265 30F-HB2 B 2.73 ambi=1 { CB:40.7 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 4.92 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 280 31S-H N 8.65 ambi=1 { N:119.9 } ::sumAvg: 4.445 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } ::sumAvg: 3.63 atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } ::sumAvg: 3.63 atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 282 31S-HB2 B 3.12 ambi=2 { CB:64.4 } :: atom: 250 29F-QD D 6.86 ambi=3 { CD1:131.7 } atom: 283 31S-HB3 B 3.5 ambi=2 { CB:64.4 } ::sumAvg: 4.88 atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } ::sumAvg: 4.08 atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 252 29F-QE E 7.07 ambi=3 { CE1:130.7 } ::sumAvg: 4.08 atom: 267 30F-QD D 7 ambi=3 { CD1:131 } atom: 263 30F-H N 8.84 ambi=1 { N:120.7 } ::sumAvg: 2.69 atom: 269 30F-QE E 7.04 ambi=3 { CE1:130.8 } atom: 263 30F-H N 8.84 ambi=1 { N:120.7 } ::sumAvg: 4.765 atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 263 30F-H N 8.84 ambi=1 { N:120.7 } ::sumAvg: 4.99 atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } atom: 267 30F-QD D 7 ambi=3 { CD1:131 } ::sumAvg: 2.8 atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } atom: 269 30F-QE E 7.04 ambi=3 { CE1:130.8 } ::sumAvg: 4.6 atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } atom: 282 31S-HB2 B 3.12 ambi=2 { CB:64.4 } :: atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } atom: 283 31S-HB3 B 3.5 ambi=2 { CB:64.4 } ::sumAvg: 4.455 atom: 282 31S-HB2 B 3.12 ambi=2 { CB:64.4 } atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } :: atom: 283 31S-HB3 B 3.5 ambi=2 { CB:64.4 } atom: 264 30F-HA A 4.56 ambi=1 { CA:56.1 } ::sumAvg: 4.455 atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 265 30F-HB2 B 2.73 ambi=1 { CB:40.7 } :: atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 266 30F-HB3 B 2.89 ambi=1 { CB:40.7 } ::sumAvg: 4.655 atom: 267 30F-QD D 7 ambi=3 { CD1:131 } atom: 280 31S-H N 8.65 ambi=1 { N:119.9 } ::sumAvg: 3.815 atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } atom: 280 31S-H N 8.65 ambi=1 { N:119.9 } :: atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } atom: 280 31S-H N 8.65 ambi=1 { N:119.9 } ::sumAvg: 4.355 atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } ::sumAvg: 4.405 atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } ::sumAvg: 4.405 atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 289 32V-HB B 1.09 ambi=1 { CB:33.9 } ::sumAvg: 4.605 atom: 289 32V-HB B 1.09 ambi=1 { CB:33.9 } atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } ::sumAvg: 4.605 atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } :: atom: 281 31S-HA A 4.91 ambi=1 { CA:57.9 } atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } ::sumAvg: 3.74 atom: 282 31S-HB2 B 3.12 ambi=2 { CB:64.4 } atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } ::sumAvg: 4.59 atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } atom: 282 31S-HB2 B 3.12 ambi=2 { CB:64.4 } ::sumAvg: 4.59 atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 282 31S-HB2 B 3.12 ambi=2 { CB:64.4 } :: atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 283 31S-HB3 B 3.5 ambi=2 { CB:64.4 } ::sumAvg: 4.77 atom: 305 33F-HZ Z 7.05 ambi=1 { CZ:128.9 } atom: 282 31S-HB2 B 3.12 ambi=2 { CB:64.4 } :: atom: 305 33F-HZ Z 7.05 ambi=1 { CZ:128.9 } atom: 283 31S-HB3 B 3.5 ambi=2 { CB:64.4 } ::sumAvg: 4.785 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 287 32V-H N 8.23 ambi=1 { N:126.8 } ::sumAvg: 4.76 atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } ::sumAvg: 4.35 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } ::sumAvg: 4.35 atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } :: atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } ::sumAvg: 4.435 atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 3.775 atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 288 32V-HA A 3.84 ambi=1 { CA:61.2 } ::sumAvg: 3.775 atom: 289 32V-HB B 1.09 ambi=1 { CB:33.9 } atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } ::sumAvg: 4.985 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 289 32V-HB B 1.09 ambi=1 { CB:33.9 } ::sumAvg: 4.985 atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } :: atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } ::sumAvg: 3.765 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } :: atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } ::sumAvg: 3.765 atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } :: atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } :: atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } :: atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } ::sumAvg: 4.335 atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } :: atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 4.685 atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } :: atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 291 32V-HG2 G2 0.68 ambi=2 { CG2:21.2 } ::sumAvg: 4.685 atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } ::sumAvg: 3.285 atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } atom: 366 40L-HD2 D2 0.83 ambi=2 { CD2:27 } ::sumAvg: 3.385 atom: 366 40L-HD2 D2 0.83 ambi=2 { CD2:27 } atom: 290 32V-HG1 G1 0.4 ambi=2 { CG1:21.2 } ::sumAvg: 3.385 atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } atom: 297 33F-H N 8.77 ambi=1 { N:126.3 } ::sumAvg: 4.675 atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 297 33F-H N 8.77 ambi=1 { N:126.3 } ::sumAvg: 4.885 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 2.875 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } ::sumAvg: 4.53 atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } ::sumAvg: 4.53 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 315 34I-HA A 4.09 ambi=1 { CA:62.1 } ::sumAvg: 4.34 atom: 315 34I-HA A 4.09 ambi=1 { CA:62.1 } atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } ::sumAvg: 4.34 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } ::sumAvg: 4.03 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } ::sumAvg: 3.445 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 327 35D-H N 8.09 ambi=1 { N:115.7 } ::sumAvg: 3.6 atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } :: atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } ::sumAvg: 4.98 atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } :: atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } atom: 298 33F-HA A 4.78 ambi=1 { CA:58.2 } ::sumAvg: 4.98 atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } :: atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } atom: 303 33F-QE E 7.02 ambi=3 { CE1:130.8 } ::sumAvg: 4.37 atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } atom: 315 34I-HA A 4.09 ambi=1 { CA:62.1 } :: atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } atom: 315 34I-HA A 4.09 ambi=1 { CA:62.1 } ::sumAvg: 4.66 atom: 315 34I-HA A 4.09 ambi=1 { CA:62.1 } atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } :: atom: 315 34I-HA A 4.09 ambi=1 { CA:62.1 } atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } ::sumAvg: 4.66 atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } :: atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } ::sumAvg: 4.98 atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } :: atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } ::sumAvg: 4.98 atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } :: atom: 299 33F-HB2 B 2.78 ambi=2 { CB:39.2 } atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } :: atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } :: atom: 300 33F-HB3 B 3 ambi=2 { CB:39.2 } atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } ::sumAvg: 3.28 atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } ::sumAvg: 3.765 atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 327 35D-H N 8.09 ambi=1 { N:115.7 } ::sumAvg: 3.67 atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } :: atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } ::sumAvg: 3.98 atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } :: atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } atom: 301 33F-QD D 6.92 ambi=3 { CD1:130.6 } ::sumAvg: 3.98 atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } :: atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } ::sumAvg: 4.28 atom: 365 40L-HD1 D1 0.78 ambi=2 { CD1:22.6 } atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } :: atom: 366 40L-HD2 D2 0.83 ambi=2 { CD2:27 } atom: 314 34I-H N 8.56 ambi=1 { N:115.7 } ::sumAvg: 4.535 atom: 315 34I-HA A 4.09 ambi=1 { CA:62.1 } atom: 334 36D-H N 9 ambi=1 { N:116.6 } ::sumAvg: 4.935 atom: 315 34I-HA A 4.09 ambi=1 { CA:62.1 } atom: 341 37D-H N 7.71 ambi=1 { N:121 } ::sumAvg: 4.465 atom: 315 34I-HA A 4.09 ambi=1 { CA:62.1 } atom: 364 40L-HG G 1.66 ambi=1 { CG:26.7 } ::sumAvg: 4.73 atom: 315 34I-HA A 4.09 ambi=1 { CA:62.1 } atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } ::sumAvg: 4.855 atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } ::sumAvg: 3.915 atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } ::sumAvg: 4.765 atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } atom: 341 37D-H N 7.71 ambi=1 { N:121 } ::sumAvg: 4.96 atom: 343 37D-HB2 B 2.23 ambi=2 { CB:42.8 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } :: atom: 344 37D-HB3 B 2.94 ambi=2 { CB:42.8 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } ::sumAvg: 4.47 atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } ::sumAvg: 4.74 atom: 361 40L-HA A 4.11 ambi=1 { CA:57.3 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } ::sumAvg: 4.51 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } ::sumAvg: 2.205 atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } ::sumAvg: 4.315 atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } ::sumAvg: 4.315 atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } ::sumAvg: 3.435 atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } ::sumAvg: 3.435 atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } ::sumAvg: 4.595 atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } ::sumAvg: 4.595 atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } :: atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } atom: 316 34I-HB B 1.8 ambi=1 { CB:38.3 } ::sumAvg: 4.59 atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 374 41E-HA A 3.79 ambi=1 { CA:59.9 } :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 374 41E-HA A 3.79 ambi=1 { CA:59.9 } ::sumAvg: 4.17 atom: 374 41E-HA A 3.79 ambi=1 { CA:59.9 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 374 41E-HA A 3.79 ambi=1 { CA:59.9 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } ::sumAvg: 4.17 atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } :: atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } ::sumAvg: 4.255 atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } :: atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } ::sumAvg: 4.255 atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } ::sumAvg: 4.57 atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } ::sumAvg: 4.57 atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } ::sumAvg: 4.78 atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } ::sumAvg: 4.78 atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } ::sumAvg: 4.8 atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } ::sumAvg: 4.8 atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } :: atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } ::sumAvg: 4.075 atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } atom: 317 34I-HG12 G1 1.14 ambi=2 { CG1:25.3 } :: atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } atom: 318 34I-HG13 G1 0.98 ambi=2 { CG1:25.3 } ::sumAvg: 4.075 atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 374 41E-HA A 3.79 ambi=1 { CA:59.9 } ::sumAvg: 4.435 atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 364 40L-HG G 1.66 ambi=1 { CG:26.7 } ::sumAvg: 4.55 atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } ::sumAvg: 4.645 atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 396 44Y-H N 8.44 ambi=1 { N:111.5 } ::sumAvg: 4.975 atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } ::sumAvg: 2.9 atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 411 45G-H N 8.44 ambi=1 { N:111.5 } ::sumAvg: 4.72 atom: 319 34I-HG2 G2 0.82 ambi=1 { CG2:18.5 } atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } ::sumAvg: 3.63 atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 3.645 atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } :: atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 4.745 atom: 361 40L-HA A 4.11 ambi=1 { CA:57.3 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 4.82 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } :: atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 3.385 atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } :: atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 4.205 atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 3.03 atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } ::sumAvg: 4.665 atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 4.665 atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 3.095 atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } ::sumAvg: 4.32 atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } atom: 320 34I-HD1 D1 0.6 ambi=1 { CD1:16 } ::sumAvg: 4.32 atom: 336 36D-HB2 B 2.75 ambi=2 { CB:40.1 } atom: 327 35D-H N 8.09 ambi=1 { N:115.7 } :: atom: 337 36D-HB3 B 2.61 ambi=2 { CB:40.1 } atom: 327 35D-H N 8.09 ambi=1 { N:115.7 } ::sumAvg: 4.965 atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } atom: 336 36D-HB2 B 2.75 ambi=2 { CB:40.1 } :: atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } atom: 337 36D-HB3 B 2.61 ambi=2 { CB:40.1 } ::sumAvg: 4.745 atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } atom: 341 37D-H N 7.71 ambi=1 { N:121 } ::sumAvg: 3.825 atom: 328 35D-HA A 4.05 ambi=1 { CA:55.4 } atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } ::sumAvg: 3.33 atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } atom: 335 36D-HA A 4.27 ambi=1 { CA:55.3 } :: atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } atom: 335 36D-HA A 4.27 ambi=1 { CA:55.3 } ::sumAvg: 4.81 atom: 335 36D-HA A 4.27 ambi=1 { CA:55.3 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } :: atom: 335 36D-HA A 4.27 ambi=1 { CA:55.3 } atom: 330 35D-HB3 B 2.36 ambi=2 { CB:41.5 } ::sumAvg: 4.81 atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } atom: 336 36D-HB2 B 2.75 ambi=2 { CB:40.1 } ::sumAvg: 4.125 atom: 336 36D-HB2 B 2.75 ambi=2 { CB:40.1 } atom: 329 35D-HB2 B 2.28 ambi=2 { CB:41.5 } ::sumAvg: 4.125 atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } atom: 334 36D-H N 9 ambi=1 { N:116.6 } ::sumAvg: 4.755 atom: 343 37D-HB2 B 2.23 ambi=2 { CB:42.8 } atom: 334 36D-H N 9 ambi=1 { N:116.6 } :: atom: 344 37D-HB3 B 2.94 ambi=2 { CB:42.8 } atom: 334 36D-H N 9 ambi=1 { N:116.6 } ::sumAvg: 4.785 atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } atom: 334 36D-H N 9 ambi=1 { N:116.6 } ::sumAvg: 3.8 atom: 335 36D-HA A 4.27 ambi=1 { CA:55.3 } atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } ::sumAvg: 4.48 atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } atom: 335 36D-HA A 4.27 ambi=1 { CA:55.3 } ::sumAvg: 4.48 atom: 336 36D-HB2 B 2.75 ambi=2 { CB:40.1 } atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } :: atom: 337 36D-HB3 B 2.61 ambi=2 { CB:40.1 } atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } ::sumAvg: 4.61 atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } atom: 336 36D-HB2 B 2.75 ambi=2 { CB:40.1 } :: atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } atom: 337 36D-HB3 B 2.61 ambi=2 { CB:40.1 } ::sumAvg: 4.61 atom: 336 36D-HB2 B 2.75 ambi=2 { CB:40.1 } atom: 343 37D-HB2 B 2.23 ambi=2 { CB:42.8 } ::sumAvg: 4.16 atom: 343 37D-HB2 B 2.23 ambi=2 { CB:42.8 } atom: 336 36D-HB2 B 2.75 ambi=2 { CB:40.1 } ::sumAvg: 4.16 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 341 37D-H N 7.71 ambi=1 { N:121 } :: atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 341 37D-H N 7.71 ambi=1 { N:121 } ::sumAvg: 3.92 atom: 365 40L-HD1 D1 0.78 ambi=2 { CD1:22.6 } atom: 341 37D-H N 7.71 ambi=1 { N:121 } :: atom: 366 40L-HD2 D2 0.83 ambi=2 { CD2:27 } atom: 341 37D-H N 7.71 ambi=1 { N:121 } ::sumAvg: 3.995 atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } atom: 349 38A-HA A 3.97 ambi=1 { CA:55.4 } ::sumAvg: 4.44 atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } atom: 350 38A-HB B 1.3 ambi=1 { CB:18.2 } ::sumAvg: 3.995 atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } atom: 354 39A-H N 8.11 ambi=1 { N:120.7 } ::sumAvg: 3.585 atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } ::sumAvg: 4.455 atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } ::sumAvg: 4.36 atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } :: atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } ::sumAvg: 4.92 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } :: atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } ::sumAvg: 4.92 atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } atom: 365 40L-HD1 D1 0.78 ambi=2 { CD1:22.6 } :: atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } atom: 366 40L-HD2 D2 0.83 ambi=2 { CD2:27 } ::sumAvg: 4.695 atom: 365 40L-HD1 D1 0.78 ambi=2 { CD1:22.6 } atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } :: atom: 366 40L-HD2 D2 0.83 ambi=2 { CD2:27 } atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } ::sumAvg: 4.695 atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } atom: 342 37D-HA A 4.71 ambi=1 { CA:52.8 } ::sumAvg: 4.825 atom: 343 37D-HB2 B 2.23 ambi=2 { CB:42.8 } atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } :: atom: 344 37D-HB3 B 2.94 ambi=2 { CB:42.8 } atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } ::sumAvg: 4.015 atom: 343 37D-HB2 B 2.23 ambi=2 { CB:42.8 } atom: 354 39A-H N 8.11 ambi=1 { N:120.7 } :: atom: 344 37D-HB3 B 2.94 ambi=2 { CB:42.8 } atom: 354 39A-H N 8.11 ambi=1 { N:120.7 } ::sumAvg: 4.06 atom: 343 37D-HB2 B 2.23 ambi=2 { CB:42.8 } atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } :: atom: 344 37D-HB3 B 2.94 ambi=2 { CB:42.8 } atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } ::sumAvg: 4.165 atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } atom: 343 37D-HB2 B 2.23 ambi=2 { CB:42.8 } :: atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } atom: 344 37D-HB3 B 2.94 ambi=2 { CB:42.8 } ::sumAvg: 4.165 atom: 361 40L-HA A 4.11 ambi=1 { CA:57.3 } atom: 343 37D-HB2 B 2.23 ambi=2 { CB:42.8 } :: atom: 361 40L-HA A 4.11 ambi=1 { CA:57.3 } atom: 344 37D-HB3 B 2.94 ambi=2 { CB:42.8 } ::sumAvg: 4.89 atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } atom: 344 37D-HB3 B 2.94 ambi=2 { CB:42.8 } ::sumAvg: 4.175 atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } atom: 348 38A-H N 8.77 ambi=1 { N:128.3 } :: atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 348 38A-H N 8.77 ambi=1 { N:128.3 } ::sumAvg: 4.735 atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } atom: 348 38A-H N 8.77 ambi=1 { N:128.3 } ::sumAvg: 4.32 atom: 349 38A-HA A 3.97 ambi=1 { CA:55.4 } atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } ::sumAvg: 4.25 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 349 38A-HA A 3.97 ambi=1 { CA:55.4 } :: atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 349 38A-HA A 3.97 ambi=1 { CA:55.4 } ::sumAvg: 4.935 atom: 350 38A-HB B 1.3 ambi=1 { CB:18.2 } atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } :: atom: 350 38A-HB B 1.3 ambi=1 { CB:18.2 } atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } ::sumAvg: 3.365 atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } atom: 350 38A-HB B 1.3 ambi=1 { CB:18.2 } :: atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 350 38A-HB B 1.3 ambi=1 { CB:18.2 } ::sumAvg: 3.365 atom: 350 38A-HB B 1.3 ambi=1 { CB:18.2 } atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } ::sumAvg: 4.045 atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } atom: 350 38A-HB B 1.3 ambi=1 { CB:18.2 } ::sumAvg: 4.045 atom: 350 38A-HB B 1.3 ambi=1 { CB:18.2 } atom: 385 42S-HB2 B 3.82 ambi=2 { CB:62.4 } :: atom: 350 38A-HB B 1.3 ambi=1 { CB:18.2 } atom: 386 42S-HB3 B 3.78 ambi=2 { CB:62.4 } ::sumAvg: 4.29 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 354 39A-H N 8.11 ambi=1 { N:120.7 } :: atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 354 39A-H N 8.11 ambi=1 { N:120.7 } ::sumAvg: 4.54 atom: 364 40L-HG G 1.66 ambi=1 { CG:26.7 } atom: 354 39A-H N 8.11 ambi=1 { N:120.7 } ::sumAvg: 4.595 atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } atom: 354 39A-H N 8.11 ambi=1 { N:120.7 } :: atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 354 39A-H N 8.11 ambi=1 { N:120.7 } ::sumAvg: 4.715 atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } atom: 354 39A-H N 8.11 ambi=1 { N:120.7 } ::sumAvg: 4.825 atom: 355 39A-HA A 4.07 ambi=1 { CA:54.9 } atom: 373 41E-H N 9.14 ambi=1 { N:121.2 } ::sumAvg: 4.365 atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } atom: 355 39A-HA A 4.07 ambi=1 { CA:54.9 } ::sumAvg: 4.575 atom: 355 39A-HA A 4.07 ambi=1 { CA:54.9 } atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } ::sumAvg: 4.22 atom: 361 40L-HA A 4.11 ambi=1 { CA:57.3 } atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } ::sumAvg: 3.86 atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } ::sumAvg: 4.34 atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } ::sumAvg: 4.34 atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } atom: 365 40L-HD1 D1 0.78 ambi=2 { CD1:22.6 } :: atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } atom: 366 40L-HD2 D2 0.83 ambi=2 { CD2:27 } ::sumAvg: 3.815 atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } atom: 385 42S-HB2 B 3.82 ambi=2 { CB:62.4 } :: atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } atom: 386 42S-HB3 B 3.78 ambi=2 { CB:62.4 } ::sumAvg: 4.37 atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } ::sumAvg: 4.205 atom: 356 39A-HB B 1.33 ambi=1 { CB:18.2 } atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } ::sumAvg: 4.76 atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } :: atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } ::sumAvg: 4.545 atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } atom: 360 40L-H N 8.31 ambi=1 { N:120.7 } ::sumAvg: 4.38 atom: 361 40L-HA A 4.11 ambi=1 { CA:57.3 } atom: 383 42S-H N 7.86 ambi=1 { N:114.2 } ::sumAvg: 4.435 atom: 361 40L-HA A 4.11 ambi=1 { CA:57.3 } atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } ::sumAvg: 2.245 atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } atom: 361 40L-HA A 4.11 ambi=1 { CA:57.3 } ::sumAvg: 2.245 atom: 361 40L-HA A 4.11 ambi=1 { CA:57.3 } atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } ::sumAvg: 4.995 atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } atom: 361 40L-HA A 4.11 ambi=1 { CA:57.3 } ::sumAvg: 4.995 atom: 361 40L-HA A 4.11 ambi=1 { CA:57.3 } atom: 396 44Y-H N 8.44 ambi=1 { N:111.5 } ::sumAvg: 4.095 atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } atom: 361 40L-HA A 4.11 ambi=1 { CA:57.3 } ::sumAvg: 3.995 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 374 41E-HA A 3.79 ambi=1 { CA:59.9 } :: atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 374 41E-HA A 3.79 ambi=1 { CA:59.9 } ::sumAvg: 4.27 atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } :: atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } ::sumAvg: 4.85 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } ::sumAvg: 3.52 atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } ::sumAvg: 3.52 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } :: atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } ::sumAvg: 4.13 atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } :: atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } ::sumAvg: 4.13 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } ::sumAvg: 4.485 atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } ::sumAvg: 4.485 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 396 44Y-H N 8.44 ambi=1 { N:111.5 } :: atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 396 44Y-H N 8.44 ambi=1 { N:111.5 } ::sumAvg: 4.92 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } :: atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } ::sumAvg: 3.025 atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } :: atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } ::sumAvg: 3.105 atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } atom: 362 40L-HB2 B 1.23 ambi=2 { CB:41.6 } :: atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } atom: 363 40L-HB3 B 2.05 ambi=2 { CB:41.6 } ::sumAvg: 3.105 atom: 364 40L-HG G 1.66 ambi=1 { CG:26.7 } atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } ::sumAvg: 4.685 atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } atom: 364 40L-HG G 1.66 ambi=1 { CG:26.7 } ::sumAvg: 4.685 atom: 365 40L-HD1 D1 0.78 ambi=2 { CD1:22.6 } atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } :: atom: 366 40L-HD2 D2 0.83 ambi=2 { CD2:27 } atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } ::sumAvg: 4.645 atom: 385 42S-HB2 B 3.82 ambi=2 { CB:62.4 } atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } :: atom: 386 42S-HB3 B 3.78 ambi=2 { CB:62.4 } atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } :: atom: 385 42S-HB2 B 3.82 ambi=2 { CB:62.4 } atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } :: atom: 386 42S-HB3 B 3.78 ambi=2 { CB:62.4 } atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } ::sumAvg: 4.245 atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } :: atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } ::sumAvg: 4.88 atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } :: atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } :: atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } :: atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } ::sumAvg: 4.075 atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } :: atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } :: atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } :: atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } ::sumAvg: 4.075 atom: 375 41E-HB2 B 1.86 ambi=2 { CB:28.9 } atom: 411 45G-H N 8.44 ambi=1 { N:111.5 } :: atom: 376 41E-HB3 B 2.02 ambi=2 { CB:28.9 } atom: 411 45G-H N 8.44 ambi=1 { N:111.5 } ::sumAvg: 4.57 atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } :: atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } ::sumAvg: 4.69 atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } :: atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } atom: 377 41E-QG G 2.19 ambi=2 { CG:35.7 } ::sumAvg: 4.69 atom: 384 42S-HA A 3.99 ambi=1 { CA:61.3 } atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } ::sumAvg: 4.6 atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } atom: 384 42S-HA A 3.99 ambi=1 { CA:61.3 } ::sumAvg: 4.6 atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } ::sumAvg: 3.94 atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } ::sumAvg: 3.94 atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } :: atom: 392 43A-HB B 0.72 ambi=1 { CB:19.5 } atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } ::sumAvg: 4.12 atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } ::sumAvg: 4.775 atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } atom: 390 43A-H N 7.32 ambi=1 { N:120.1 } ::sumAvg: 4.565 atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 391 43A-HA A 3.85 ambi=1 { CA:54.4 } ::sumAvg: 4.585 atom: 391 43A-HA A 3.85 ambi=1 { CA:54.4 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } ::sumAvg: 4.955 atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } atom: 391 43A-HA A 3.85 ambi=1 { CA:54.4 } ::sumAvg: 4.955 atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } ::sumAvg: 4.76 atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } ::sumAvg: 4.76 atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } ::sumAvg: 2.255 atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } ::sumAvg: 4.395 atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } ::sumAvg: 4.395 atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 416 46L-H N 8.3 ambi=1 { N:117.1 } ::sumAvg: 4.74 atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } ::sumAvg: 4.8 atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } ::sumAvg: 4.8 atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 429 47R-H N 7.67 ambi=1 { N:117.2 } ::sumAvg: 3.46 atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 431 47R-HB2 B 1.14 ambi=1 { CB:35.9 } :: atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } ::sumAvg: 2.495 atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } :: atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } ::sumAvg: 4.63 atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 397 44Y-HA A 4.36 ambi=1 { CA:58.7 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 4.155 atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } :: atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } :: atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } :: atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } ::sumAvg: 4.17 atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } :: atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } :: atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } :: atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } ::sumAvg: 4.17 atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } :: atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } ::sumAvg: 4.445 atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } atom: 416 46L-H N 8.3 ambi=1 { N:117.1 } ::sumAvg: 4.95 atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } :: atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } ::sumAvg: 2.425 atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } atom: 429 47R-H N 7.67 ambi=1 { N:117.2 } :: atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } atom: 429 47R-H N 7.67 ambi=1 { N:117.2 } ::sumAvg: 3.495 atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } ::sumAvg: 4.57 atom: 398 44Y-HB2 B 2.4 ambi=1 { CB:40 } atom: 431 47R-HB2 B 1.14 ambi=1 { CB:35.9 } :: atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } atom: 431 47R-HB2 B 1.14 ambi=1 { CB:35.9 } :: atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } ::sumAvg: 3.295 atom: 399 44Y-HB3 B 2.93 ambi=1 { CB:40 } atom: 444 48V-H N 7.02 ambi=1 { N:109 } ::sumAvg: 3.64 atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } atom: 417 46L-HA A 4.38 ambi=1 { CA:54.9 } ::sumAvg: 4.37 atom: 417 46L-HA A 4.38 ambi=1 { CA:54.9 } atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } ::sumAvg: 4.37 atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } atom: 418 46L-HB2 B 1.43 ambi=1 { CB:41.6 } :: atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } atom: 418 46L-HB2 B 1.43 ambi=1 { CB:41.6 } ::sumAvg: 4.38 atom: 418 46L-HB2 B 1.43 ambi=1 { CB:41.6 } atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } :: atom: 418 46L-HB2 B 1.43 ambi=1 { CB:41.6 } atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } ::sumAvg: 4.38 atom: 421 46L-HD1 D1 0.7 ambi=2 { CD1:22.3 } atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } :: atom: 422 46L-HD2 D2 0.74 ambi=2 { CD2:25 } atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } :: atom: 421 46L-HD1 D1 0.7 ambi=2 { CD1:22.3 } atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } :: atom: 422 46L-HD2 D2 0.74 ambi=2 { CD2:25 } atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } ::sumAvg: 3.99 atom: 412 45G-HA2 A 4.17 ambi=2 { CA:48.2 } atom: 429 47R-H N 7.67 ambi=1 { N:117.2 } :: atom: 413 45G-HA3 A 3.47 ambi=2 { CA:48.2 } atom: 429 47R-H N 7.67 ambi=1 { N:117.2 } ::sumAvg: 3.89 atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } ::sumAvg: 3.34 atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } ::sumAvg: 3.34 atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } atom: 429 47R-H N 7.67 ambi=1 { N:117.2 } ::sumAvg: 4.68 atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } atom: 431 47R-HB2 B 1.14 ambi=1 { CB:35.9 } :: atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } ::sumAvg: 3.12 atom: 431 47R-HB2 B 1.14 ambi=1 { CB:35.9 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } :: atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } ::sumAvg: 3.12 atom: 435 47R-HD2 D 2.95 ambi=1 { CD:44.2 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } :: atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } atom: 400 44Y-QD D 6.44 ambi=3 { CD1:130.9 } ::sumAvg: 4.77 atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } atom: 465 50V-H N 7.7 ambi=1 { N:120 } ::sumAvg: 4.905 atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } atom: 467 50V-HB B 1.53 ambi=1 { CB:37.1 } ::sumAvg: 3.065 atom: 467 50V-HB B 1.53 ambi=1 { CB:37.1 } atom: 402 44Y-QE E 6.08 ambi=3 { CE1:116.8 } ::sumAvg: 3.065 atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } atom: 411 45G-H N 8.44 ambi=1 { N:111.5 } ::sumAvg: 4.37 atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } atom: 411 45G-H N 8.44 ambi=1 { N:111.5 } :: atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } atom: 411 45G-H N 8.44 ambi=1 { N:111.5 } ::sumAvg: 3.425 atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } atom: 416 46L-H N 8.3 ambi=1 { N:117.1 } ::sumAvg: 4.925 atom: 431 47R-HB2 B 1.14 ambi=1 { CB:35.9 } atom: 416 46L-H N 8.3 ambi=1 { N:117.1 } ::sumAvg: 4.515 atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 416 46L-H N 8.3 ambi=1 { N:117.1 } :: atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } atom: 416 46L-H N 8.3 ambi=1 { N:117.1 } ::sumAvg: 4.135 atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } atom: 416 46L-H N 8.3 ambi=1 { N:117.1 } :: atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } atom: 416 46L-H N 8.3 ambi=1 { N:117.1 } ::sumAvg: 4.42 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 417 46L-HA A 4.38 ambi=1 { CA:54.9 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 417 46L-HA A 4.38 ambi=1 { CA:54.9 } ::sumAvg: 4.94 atom: 419 46L-HB3 B 1.52 ambi=1 { CB:41.6 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } ::sumAvg: 4.17 atom: 419 46L-HB3 B 1.52 ambi=1 { CB:41.6 } atom: 444 48V-H N 7.02 ambi=1 { N:109 } ::sumAvg: 4.92 atom: 421 46L-HD1 D1 0.7 ambi=2 { CD1:22.3 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } :: atom: 422 46L-HD2 D2 0.74 ambi=2 { CD2:25 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } ::sumAvg: 4.35 atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 421 46L-HD1 D1 0.7 ambi=2 { CD1:22.3 } :: atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } atom: 421 46L-HD1 D1 0.7 ambi=2 { CD1:22.3 } :: atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 422 46L-HD2 D2 0.74 ambi=2 { CD2:25 } :: atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } atom: 422 46L-HD2 D2 0.74 ambi=2 { CD2:25 } ::sumAvg: 4.425 atom: 421 46L-HD1 D1 0.7 ambi=2 { CD1:22.3 } atom: 444 48V-H N 7.02 ambi=1 { N:109 } :: atom: 422 46L-HD2 D2 0.74 ambi=2 { CD2:25 } atom: 444 48V-H N 7.02 ambi=1 { N:109 } ::sumAvg: 4.375 atom: 421 46L-HD1 D1 0.7 ambi=2 { CD1:22.3 } atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } :: atom: 421 46L-HD1 D1 0.7 ambi=2 { CD1:22.3 } atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } :: atom: 422 46L-HD2 D2 0.74 ambi=2 { CD2:25 } atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } :: atom: 422 46L-HD2 D2 0.74 ambi=2 { CD2:25 } atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } ::sumAvg: 4.9 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 421 46L-HD1 D1 0.7 ambi=2 { CD1:22.3 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 421 46L-HD1 D1 0.7 ambi=2 { CD1:22.3 } :: atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 422 46L-HD2 D2 0.74 ambi=2 { CD2:25 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 422 46L-HD2 D2 0.74 ambi=2 { CD2:25 } ::sumAvg: 4.9 atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } ::sumAvg: 4.71 atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } ::sumAvg: 4.71 atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } ::sumAvg: 4.355 atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } ::sumAvg: 4.355 atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } ::sumAvg: 4.17 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } ::sumAvg: 4.17 atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } :: atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } ::sumAvg: 1.835 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } ::sumAvg: 1.835 atom: 435 47R-HD2 D 2.95 ambi=1 { CD:44.2 } atom: 429 47R-H N 7.67 ambi=1 { N:117.2 } :: atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } atom: 429 47R-H N 7.67 ambi=1 { N:117.2 } ::sumAvg: 4.07 atom: 446 48V-HB B 1.88 ambi=1 { CB:31.8 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } ::sumAvg: 4.9 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } ::sumAvg: 3.86 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } ::sumAvg: 2.65 atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } ::sumAvg: 4.855 atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } :: atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } ::sumAvg: 3.465 atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } ::sumAvg: 3.465 atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } atom: 430 47R-HA A 4.22 ambi=1 { CA:55.8 } ::sumAvg: 4.275 atom: 431 47R-HB2 B 1.14 ambi=1 { CB:35.9 } atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } ::sumAvg: 4.93 atom: 445 48V-HA A 3.83 ambi=1 { CA:60.7 } atom: 431 47R-HB2 B 1.14 ambi=1 { CB:35.9 } ::sumAvg: 4.93 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } ::sumAvg: 4.47 atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } ::sumAvg: 4.66 atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } ::sumAvg: 4.66 atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } ::sumAvg: 3.71 atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } :: atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } ::sumAvg: 3.68 atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } ::sumAvg: 3.68 atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } :: atom: 432 47R-HB3 B 1.93 ambi=1 { CB:35.9 } atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } ::sumAvg: 4.795 atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } :: atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 4.235 atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } :: atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } ::sumAvg: 3.87 atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } :: atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } :: atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } :: atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } ::sumAvg: 3.285 atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } :: atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } ::sumAvg: 3.285 atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } :: atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } ::sumAvg: 4.295 atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } :: atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } ::sumAvg: 4.295 atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } :: atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } :: atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } :: atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } ::sumAvg: 3.68 atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } :: atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } atom: 433 47R-HG2 G 1.31 ambi=2 { CG:25.6 } :: atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } :: atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } atom: 434 47R-HG3 G 1.55 ambi=2 { CG:25.6 } ::sumAvg: 3.68 atom: 435 47R-HD2 D 2.95 ambi=1 { CD:44.2 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 435 47R-HD2 D 2.95 ambi=1 { CD:44.2 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } :: atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 3.77 atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } ::sumAvg: 4.335 atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } ::sumAvg: 4.335 atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } :: atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } ::sumAvg: 3.975 atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } :: atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } ::sumAvg: 3.975 atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } ::sumAvg: 3.755 atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } ::sumAvg: 4.775 atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 436 47R-HD3 D 3.23 ambi=1 { CD:44.2 } ::sumAvg: 4.775 atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } atom: 437 47R-HE E 8.2 ambi=1 { NE:83.2 } :: atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } atom: 437 47R-HE E 8.2 ambi=1 { NE:83.2 } ::sumAvg: 4.475 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 444 48V-H N 7.02 ambi=1 { N:109 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 444 48V-H N 7.02 ambi=1 { N:109 } ::sumAvg: 4.35 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 444 48V-H N 7.02 ambi=1 { N:109 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 444 48V-H N 7.02 ambi=1 { N:109 } ::sumAvg: 1.99 atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } :: atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } ::sumAvg: 3.295 atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } :: atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } ::sumAvg: 3.295 atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } :: atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } ::sumAvg: 3.985 atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } :: atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } :: atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } :: atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } ::sumAvg: 3.985 atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } ::sumAvg: 4.875 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 448 48V-HG2 G2 0.82 ambi=2 { CG2:24 } :: atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 447 48V-HG1 G1 0.75 ambi=2 { CG1:18.3 } ::sumAvg: 3.15 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 510 54P-HA A 4.3 ambi=1 { CA:65 } ::sumAvg: 4.34 atom: 510 54P-HA A 4.3 ambi=1 { CA:65 } atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } ::sumAvg: 4.34 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } ::sumAvg: 4.02 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } ::sumAvg: 4.15 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 533 56G-H N 8.27 ambi=1 { N:108.8 } ::sumAvg: 4.59 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } ::sumAvg: 4.145 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } ::sumAvg: 4.145 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 4.65 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } ::sumAvg: 4.65 atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } ::sumAvg: 4.605 atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } :: atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } ::sumAvg: 4.605 atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } ::sumAvg: 3.22 atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 523 55M-HB2 B 2.03 ambi=2 { CB:31.8 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 524 55M-HB3 B 2.05 ambi=2 { CB:31.8 } ::sumAvg: 4.28 atom: 523 55M-HB2 B 2.03 ambi=2 { CB:31.8 } atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } :: atom: 524 55M-HB3 B 2.05 ambi=2 { CB:31.8 } atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } ::sumAvg: 4.28 atom: 525 55M-QG G 2.365 ambi=2 { CG:32.5 } atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } ::sumAvg: 4.56 atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 533 56G-H N 8.27 ambi=1 { N:108.8 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 533 56G-H N 8.27 ambi=1 { N:108.8 } ::sumAvg: 3.445 atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 534 56G-HA2 A 4.12 ambi=2 { CA:44.8 } :: atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 535 56G-HA3 A 3.36 ambi=2 { CA:44.8 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 534 56G-HA2 A 4.12 ambi=2 { CA:44.8 } ::sumAvg: 4.6 atom: 534 56G-HA2 A 4.12 ambi=2 { CA:44.8 } atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } :: atom: 535 56G-HA3 A 3.36 ambi=2 { CA:44.8 } atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } :: atom: 534 56G-HA2 A 4.12 ambi=2 { CA:44.8 } atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } ::sumAvg: 4.6 atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 538 57R-H N 8.28 ambi=1 { N:121.5 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 538 57R-H N 8.28 ambi=1 { N:121.5 } ::sumAvg: 3.715 atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 540 57R-HB2 B 1.77 ambi=2 { CB:30.8 } :: atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 541 57R-HB3 B 1.79 ambi=2 { CB:30.8 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 540 57R-HB2 B 1.77 ambi=2 { CB:30.8 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 541 57R-HB3 B 1.79 ambi=2 { CB:30.8 } ::sumAvg: 4.69 atom: 717 72L-HA A 3.51 ambi=1 { CA:57.5 } atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } :: atom: 717 72L-HA A 3.51 ambi=1 { CA:57.5 } atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } ::sumAvg: 4.985 atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } ::sumAvg: 4.14 atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } ::sumAvg: 3.285 atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 3.365 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } :: atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } ::sumAvg: 3.365 atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } ::sumAvg: 4.735 atom: 753 76P-HD2 D 3.31 ambi=2 { CD:49.8 } atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } :: atom: 754 76P-HD3 D 3.49 ambi=2 { CD:49.8 } atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } :: atom: 754 76P-HD3 D 3.49 ambi=2 { CD:49.8 } atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } ::sumAvg: 4.67 atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } :: atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } ::sumAvg: 3.68 atom: 467 50V-HB B 1.53 ambi=1 { CB:37.1 } atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } ::sumAvg: 4.85 atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 4.295 atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } :: atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } ::sumAvg: 4.295 atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } :: atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } ::sumAvg: 4.935 atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } ::sumAvg: 4.935 atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } ::sumAvg: 4.94 atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } atom: 454 49P-HA A 4.76 ambi=1 { CA:62.5 } ::sumAvg: 4.94 atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } :: atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } ::sumAvg: 4.595 atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } ::sumAvg: 4.595 atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } :: atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } ::sumAvg: 4 atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } ::sumAvg: 3.725 atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } :: atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } ::sumAvg: 2.76 atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } :: atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } ::sumAvg: 3.4 atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } ::sumAvg: 3.4 atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } ::sumAvg: 4.76 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 455 49P-HB2 B 1.68 ambi=2 { CB:34.9 } :: atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 456 49P-HB3 B 2.21 ambi=2 { CB:34.9 } ::sumAvg: 4.89 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 465 50V-H N 7.7 ambi=1 { N:120 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 465 50V-H N 7.7 ambi=1 { N:120 } ::sumAvg: 4.885 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } ::sumAvg: 4.91 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 4.38 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } ::sumAvg: 4.95 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } ::sumAvg: 3.71 atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } :: atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 3.71 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } ::sumAvg: 3.99 atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } :: atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 3.99 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 588 61W-HE1 E1 10.25 ambi=1 { NE1:131.8 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 588 61W-HE1 E1 10.25 ambi=1 { NE1:131.8 } ::sumAvg: 4.56 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } ::sumAvg: 4.98 atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } :: atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.98 atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } :: atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } ::sumAvg: 4.87 atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 457 49P-HG2 G 1.12 ambi=2 { CG:25.5 } :: atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 458 49P-HG3 G 1.49 ambi=2 { CG:25.5 } ::sumAvg: 4.87 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 4.25 atom: 459 49P-HD2 D 2.77 ambi=2 { CD:49.8 } atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } :: atom: 460 49P-HD3 D 2.93 ambi=2 { CD:49.8 } atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } ::sumAvg: 3.595 atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } atom: 465 50V-H N 7.7 ambi=1 { N:120 } ::sumAvg: 4.895 atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 465 50V-H N 7.7 ambi=1 { N:120 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 465 50V-H N 7.7 ambi=1 { N:120 } ::sumAvg: 4.995 atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 477 51L-HB2 B 0.78 ambi=1 { CB:46.1 } ::sumAvg: 4.17 atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } :: atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } ::sumAvg: 4.365 atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } ::sumAvg: 4.25 atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } ::sumAvg: 3.375 atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } ::sumAvg: 3.375 atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } :: atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } ::sumAvg: 4.09 atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } ::sumAvg: 4.09 atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } ::sumAvg: 4.25 atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } ::sumAvg: 4.25 atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } ::sumAvg: 3.9 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 466 50V-HA A 4.85 ambi=1 { CA:60.5 } ::sumAvg: 3.9 atom: 467 50V-HB B 1.53 ambi=1 { CB:37.1 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } ::sumAvg: 4.975 atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } atom: 467 50V-HB B 1.53 ambi=1 { CB:37.1 } ::sumAvg: 4.975 atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } :: atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } ::sumAvg: 3.555 atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 3.555 atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } :: atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.135 atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } :: atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 3.975 atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } :: atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 4.04 atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 3.705 atom: 494 52R-HD2 D 3.18 ambi=1 { CD:44.2 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 494 52R-HD2 D 3.18 ambi=1 { CD:44.2 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 4.9 atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } :: atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } ::sumAvg: 3.88 atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } :: atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } ::sumAvg: 4.455 atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 4.455 atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } :: atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } ::sumAvg: 4.225 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 4.225 atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } :: atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } ::sumAvg: 4.355 atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 2.575 atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } :: atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } ::sumAvg: 3.78 atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 3.78 atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 468 50V-HG1 G1 0.71 ambi=2 { CG1:21.1 } :: atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 469 50V-HG2 G2 0.84 ambi=2 { CG2:23.5 } ::sumAvg: 3.465 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 475 51L-H N 8.85 ambi=1 { N:128.4 } ::sumAvg: 4.915 atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } atom: 475 51L-H N 8.85 ambi=1 { N:128.4 } ::sumAvg: 4.645 atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } atom: 475 51L-H N 8.85 ambi=1 { N:128.4 } ::sumAvg: 4.625 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 475 51L-H N 8.85 ambi=1 { N:128.4 } ::sumAvg: 3.695 atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 4.325 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } ::sumAvg: 4.325 atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } :: atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } ::sumAvg: 4.525 atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } :: atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } ::sumAvg: 4.525 atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } ::sumAvg: 4.755 atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } atom: 476 51L-HA A 5.14 ambi=1 { CA:52 } ::sumAvg: 4.755 atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 4.54 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } ::sumAvg: 4.54 atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } ::sumAvg: 4.86 atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } ::sumAvg: 4.86 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 477 51L-HB2 B 0.78 ambi=1 { CB:46.1 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 477 51L-HB2 B 0.78 ambi=1 { CB:46.1 } :: atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } ::sumAvg: 3.63 atom: 477 51L-HB2 B 0.78 ambi=1 { CB:46.1 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } :: atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } ::sumAvg: 3.635 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 477 51L-HB2 B 0.78 ambi=1 { CB:46.1 } :: atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } ::sumAvg: 3.635 atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } atom: 477 51L-HB2 B 0.78 ambi=1 { CB:46.1 } :: atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } ::sumAvg: 4.105 atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 477 51L-HB2 B 0.78 ambi=1 { CB:46.1 } :: atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } :: atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } ::sumAvg: 3.37 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 478 51L-HB3 B 1.07 ambi=1 { CB:46.1 } ::sumAvg: 4.16 atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 3.235 atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 4.88 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } ::sumAvg: 4.88 atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } ::sumAvg: 4.94 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } ::sumAvg: 4.94 atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } ::sumAvg: 4.27 atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } ::sumAvg: 4.875 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 479 51L-HG G 1.19 ambi=1 { CG:26.4 } ::sumAvg: 4.875 atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } :: atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } ::sumAvg: 4.765 atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } ::sumAvg: 3.735 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } :: atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } ::sumAvg: 3.735 atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } :: atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } ::sumAvg: 3.88 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } :: atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } ::sumAvg: 4.53 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } ::sumAvg: 2.995 atom: 480 51L-HD1 D1 0.32 ambi=2 { CD1:25.9 } atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } :: atom: 481 51L-HD2 D2 0.42 ambi=2 { CD2:26.7 } atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } ::sumAvg: 4.17 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.78 atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 3.125 atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.96 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 488 52R-H N 9.42 ambi=1 { N:124.6 } ::sumAvg: 4.55 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } ::sumAvg: 4.365 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 4.365 atom: 505 53D-HB2 B 2.39 ambi=2 { CB:41 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } :: atom: 506 53D-HB3 B 3.01 ambi=2 { CB:41 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 4.375 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 494 52R-HD2 D 3.18 ambi=1 { CD:44.2 } :: atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 495 52R-HD3 D 3.44 ambi=1 { CD:44.2 } ::sumAvg: 4.55 atom: 555 58E-HB2 B 1.46 ambi=2 { CB:33 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } :: atom: 556 58E-HB3 B 1.75 ambi=2 { CB:33 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 3.91 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 553 58E-H N 8.54 ambi=1 { N:119.1 } ::sumAvg: 4.935 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } ::sumAvg: 3.285 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } ::sumAvg: 4.93 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 4.93 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } ::sumAvg: 4.09 atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 4.09 atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } ::sumAvg: 4.935 atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 4.935 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 489 52R-HA A 5.87 ambi=1 { CA:53.6 } ::sumAvg: 2.94 atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } :: atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } ::sumAvg: 4.715 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } :: atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } ::sumAvg: 4.715 atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } :: atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } ::sumAvg: 3.66 atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } :: atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } ::sumAvg: 3.375 atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } :: atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } ::sumAvg: 3.505 atom: 490 52R-HB2 B 1.58 ambi=2 { CB:35.6 } atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } :: atom: 491 52R-HB3 B 1.72 ambi=2 { CB:35.6 } atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } ::sumAvg: 4.77 atom: 504 53D-HA A 5.07 ambi=1 { CA:51.8 } atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } ::sumAvg: 4.7 atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } ::sumAvg: 3.52 atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } atom: 555 58E-HB2 B 1.46 ambi=2 { CB:33 } ::sumAvg: 4 atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } atom: 558 58E-HG3 G 2.41 ambi=2 { CG:37 } ::sumAvg: 4.355 atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } ::sumAvg: 4.65 atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } ::sumAvg: 4.77 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 493 52R-QG G 1.975 ambi=2 { CG:28.3 } ::sumAvg: 4.77 atom: 557 58E-HG2 G 2 ambi=2 { CG:37 } atom: 494 52R-HD2 D 3.18 ambi=1 { CD:44.2 } :: atom: 558 58E-HG3 G 2.41 ambi=2 { CG:37 } atom: 494 52R-HD2 D 3.18 ambi=1 { CD:44.2 } ::sumAvg: 4.53 atom: 557 58E-HG2 G 2 ambi=2 { CG:37 } atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } :: atom: 558 58E-HG3 G 2.41 ambi=2 { CG:37 } atom: 496 52R-HE E 7.3 ambi=1 { NE:85.9 } ::sumAvg: 4.63 atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } :: atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } ::sumAvg: 4.66 atom: 534 56G-HA2 A 4.12 ambi=2 { CA:44.8 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } :: atom: 535 56G-HA3 A 3.36 ambi=2 { CA:44.8 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } ::sumAvg: 4.89 atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } ::sumAvg: 4.475 atom: 540 57R-HB2 B 1.77 ambi=2 { CB:30.8 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } :: atom: 541 57R-HB3 B 1.79 ambi=2 { CB:30.8 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } ::sumAvg: 4.505 atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } ::sumAvg: 3.935 atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } ::sumAvg: 4.795 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 503 53D-H N 9.01 ambi=1 { N:128.8 } ::sumAvg: 2.905 atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } ::sumAvg: 4.39 atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } ::sumAvg: 4.39 atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } ::sumAvg: 4.395 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } ::sumAvg: 4.395 atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } ::sumAvg: 3.325 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } ::sumAvg: 3.325 atom: 555 58E-HB2 B 1.46 ambi=2 { CB:33 } atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } :: atom: 556 58E-HB3 B 1.75 ambi=2 { CB:33 } atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } ::sumAvg: 4.57 atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } atom: 555 58E-HB2 B 1.46 ambi=2 { CB:33 } :: atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } atom: 556 58E-HB3 B 1.75 ambi=2 { CB:33 } ::sumAvg: 4.57 atom: 525 55M-QG G 2.365 ambi=2 { CG:32.5 } atom: 510 54P-HA A 4.3 ambi=1 { CA:65 } ::sumAvg: 4.845 atom: 510 54P-HA A 4.3 ambi=1 { CA:65 } atom: 533 56G-H N 8.27 ambi=1 { N:108.8 } ::sumAvg: 4.12 atom: 511 54P-HB2 B 1.7 ambi=2 { CB:31.9 } atom: 522 55M-HA A 4.39 ambi=1 { CA:55.1 } :: atom: 512 54P-HB3 B 2.33 ambi=2 { CB:31.9 } atom: 522 55M-HA A 4.39 ambi=1 { CA:55.1 } ::sumAvg: 4.065 atom: 525 55M-QG G 2.365 ambi=2 { CG:32.5 } atom: 511 54P-HB2 B 1.7 ambi=2 { CB:31.9 } ::sumAvg: 3.515 atom: 512 54P-HB3 B 2.33 ambi=2 { CB:31.9 } atom: 527 55M-HE E 1.84 ambi=1 { CE:17 } ::sumAvg: 4.78 atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } ::sumAvg: 3.46 atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } atom: 522 55M-HA A 4.39 ambi=1 { CA:55.1 } ::sumAvg: 4.92 atom: 522 55M-HA A 4.39 ambi=1 { CA:55.1 } atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } ::sumAvg: 4.92 atom: 525 55M-QG G 2.365 ambi=2 { CG:32.5 } atom: 514 54P-QG G 1.955 ambi=2 { CG:28.3 } ::sumAvg: 3.625 atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } :: atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } ::sumAvg: 2.915 atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } atom: 523 55M-HB2 B 2.03 ambi=2 { CB:31.8 } :: atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } atom: 524 55M-HB3 B 2.05 ambi=2 { CB:31.8 } :: atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } atom: 523 55M-HB2 B 2.03 ambi=2 { CB:31.8 } :: atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } atom: 524 55M-HB3 B 2.05 ambi=2 { CB:31.8 } ::sumAvg: 4.7 atom: 525 55M-QG G 2.365 ambi=2 { CG:32.5 } atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } :: atom: 525 55M-QG G 2.365 ambi=2 { CG:32.5 } atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } ::sumAvg: 3.885 atom: 515 54P-HD2 D 3.53 ambi=2 { CD:51.9 } atom: 533 56G-H N 8.27 ambi=1 { N:108.8 } :: atom: 516 54P-HD3 D 3.59 ambi=2 { CD:51.9 } atom: 533 56G-H N 8.27 ambi=1 { N:108.8 } ::sumAvg: 4.575 atom: 534 56G-HA2 A 4.12 ambi=2 { CA:44.8 } atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } :: atom: 535 56G-HA3 A 3.36 ambi=2 { CA:44.8 } atom: 521 55M-H N 7.56 ambi=1 { N:113.9 } ::sumAvg: 4.545 atom: 522 55M-HA A 4.39 ambi=1 { CA:55.1 } atom: 527 55M-HE E 1.84 ambi=1 { CE:17 } ::sumAvg: 3.325 atom: 522 55M-HA A 4.39 ambi=1 { CA:55.1 } atom: 535 56G-HA3 A 3.36 ambi=2 { CA:44.8 } ::sumAvg: 4.565 atom: 535 56G-HA3 A 3.36 ambi=2 { CA:44.8 } atom: 522 55M-HA A 4.39 ambi=1 { CA:55.1 } ::sumAvg: 4.565 atom: 534 56G-HA2 A 4.12 ambi=2 { CA:44.8 } atom: 523 55M-HB2 B 2.03 ambi=2 { CB:31.8 } :: atom: 535 56G-HA3 A 3.36 ambi=2 { CA:44.8 } atom: 523 55M-HB2 B 2.03 ambi=2 { CB:31.8 } :: atom: 534 56G-HA2 A 4.12 ambi=2 { CA:44.8 } atom: 524 55M-HB3 B 2.05 ambi=2 { CB:31.8 } :: atom: 535 56G-HA3 A 3.36 ambi=2 { CA:44.8 } atom: 524 55M-HB3 B 2.05 ambi=2 { CB:31.8 } ::sumAvg: 4.6 atom: 542 57R-HG2 G 1.45 ambi=2 { CG:27.1 } atom: 523 55M-HB2 B 2.03 ambi=2 { CB:31.8 } :: atom: 543 57R-HG3 G 1.51 ambi=2 { CG:27.1 } atom: 523 55M-HB2 B 2.03 ambi=2 { CB:31.8 } :: atom: 542 57R-HG2 G 1.45 ambi=2 { CG:27.1 } atom: 524 55M-HB3 B 2.05 ambi=2 { CB:31.8 } :: atom: 543 57R-HG3 G 1.51 ambi=2 { CG:27.1 } atom: 524 55M-HB3 B 2.05 ambi=2 { CB:31.8 } ::sumAvg: 4.52 atom: 523 55M-HB2 B 2.03 ambi=2 { CB:31.8 } atom: 743 75A-HA A 3.86 ambi=1 { CA:51.2 } :: atom: 524 55M-HB3 B 2.05 ambi=2 { CB:31.8 } atom: 743 75A-HA A 3.86 ambi=1 { CA:51.2 } ::sumAvg: 4.66 atom: 743 75A-HA A 3.86 ambi=1 { CA:51.2 } atom: 523 55M-HB2 B 2.03 ambi=2 { CB:31.8 } :: atom: 743 75A-HA A 3.86 ambi=1 { CA:51.2 } atom: 524 55M-HB3 B 2.05 ambi=2 { CB:31.8 } ::sumAvg: 4.66 atom: 523 55M-HB2 B 2.03 ambi=2 { CB:31.8 } atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } :: atom: 524 55M-HB3 B 2.05 ambi=2 { CB:31.8 } atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } ::sumAvg: 4.31 atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } atom: 523 55M-HB2 B 2.03 ambi=2 { CB:31.8 } :: atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } atom: 524 55M-HB3 B 2.05 ambi=2 { CB:31.8 } ::sumAvg: 4.31 atom: 525 55M-QG G 2.365 ambi=2 { CG:32.5 } atom: 743 75A-HA A 3.86 ambi=1 { CA:51.2 } ::sumAvg: 4.57 atom: 743 75A-HA A 3.86 ambi=1 { CA:51.2 } atom: 525 55M-QG G 2.365 ambi=2 { CG:32.5 } ::sumAvg: 4.57 atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } atom: 525 55M-QG G 2.365 ambi=2 { CG:32.5 } ::sumAvg: 3.66 atom: 527 55M-HE E 1.84 ambi=1 { CE:17 } atom: 748 76P-HA A 4.13 ambi=1 { CA:63.2 } ::sumAvg: 4.745 atom: 535 56G-HA3 A 3.36 ambi=2 { CA:44.8 } atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } ::sumAvg: 4.71 atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } atom: 535 56G-HA3 A 3.36 ambi=2 { CA:44.8 } ::sumAvg: 4.71 atom: 534 56G-HA2 A 4.12 ambi=2 { CA:44.8 } atom: 542 57R-HG2 G 1.45 ambi=2 { CG:27.1 } :: atom: 534 56G-HA2 A 4.12 ambi=2 { CA:44.8 } atom: 543 57R-HG3 G 1.51 ambi=2 { CG:27.1 } :: atom: 535 56G-HA3 A 3.36 ambi=2 { CA:44.8 } atom: 542 57R-HG2 G 1.45 ambi=2 { CG:27.1 } :: atom: 535 56G-HA3 A 3.36 ambi=2 { CA:44.8 } atom: 543 57R-HG3 G 1.51 ambi=2 { CG:27.1 } ::sumAvg: 4.015 atom: 544 57R-HD2 D 2.9 ambi=2 { CD:44 } atom: 538 57R-H N 8.28 ambi=1 { N:121.5 } :: atom: 545 57R-HD3 D 3.03 ambi=2 { CD:44 } atom: 538 57R-H N 8.28 ambi=1 { N:121.5 } ::sumAvg: 4.785 atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } atom: 538 57R-H N 8.28 ambi=1 { N:121.5 } ::sumAvg: 4.665 atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } ::sumAvg: 4.395 atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } ::sumAvg: 4.395 atom: 555 58E-HB2 B 1.46 ambi=2 { CB:33 } atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } :: atom: 556 58E-HB3 B 1.75 ambi=2 { CB:33 } atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } ::sumAvg: 4.7 atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } ::sumAvg: 3.995 atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } atom: 557 58E-HG2 G 2 ambi=2 { CG:37 } :: atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } atom: 558 58E-HG3 G 2.41 ambi=2 { CG:37 } ::sumAvg: 3.56 atom: 557 58E-HG2 G 2 ambi=2 { CG:37 } atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } :: atom: 558 58E-HG3 G 2.41 ambi=2 { CG:37 } atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } ::sumAvg: 3.56 atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } ::sumAvg: 4.535 atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } atom: 539 57R-HA A 4.22 ambi=1 { CA:56.4 } ::sumAvg: 4.535 atom: 540 57R-HB2 B 1.77 ambi=2 { CB:30.8 } atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } :: atom: 541 57R-HB3 B 1.79 ambi=2 { CB:30.8 } atom: 554 58E-HA A 5.73 ambi=1 { CA:54.2 } ::sumAvg: 4.445 atom: 540 57R-HB2 B 1.77 ambi=2 { CB:30.8 } atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } :: atom: 541 57R-HB3 B 1.79 ambi=2 { CB:30.8 } atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } ::sumAvg: 3.49 atom: 540 57R-HB2 B 1.77 ambi=2 { CB:30.8 } atom: 558 58E-HG3 G 2.41 ambi=2 { CG:37 } :: atom: 541 57R-HB3 B 1.79 ambi=2 { CB:30.8 } atom: 558 58E-HG3 G 2.41 ambi=2 { CG:37 } ::sumAvg: 4.51 atom: 540 57R-HB2 B 1.77 ambi=2 { CB:30.8 } atom: 702 71W-HE1 E1 9.86 ambi=1 { NE1:130.1 } :: atom: 541 57R-HB3 B 1.79 ambi=2 { CB:30.8 } atom: 702 71W-HE1 E1 9.86 ambi=1 { NE1:130.1 } ::sumAvg: 3.36 atom: 540 57R-HB2 B 1.77 ambi=2 { CB:30.8 } atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } :: atom: 541 57R-HB3 B 1.79 ambi=2 { CB:30.8 } atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } ::sumAvg: 4.785 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 540 57R-HB2 B 1.77 ambi=2 { CB:30.8 } :: atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 541 57R-HB3 B 1.79 ambi=2 { CB:30.8 } ::sumAvg: 4.785 atom: 542 57R-HG2 G 1.45 ambi=2 { CG:27.1 } atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } :: atom: 543 57R-HG3 G 1.51 ambi=2 { CG:27.1 } atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } ::sumAvg: 3.05 atom: 544 57R-HD2 D 2.9 ambi=2 { CD:44 } atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } :: atom: 545 57R-HD3 D 3.03 ambi=2 { CD:44 } atom: 546 57R-HE E 7.33 ambi=1 { NE:83.7 } ::sumAvg: 2.675 atom: 544 57R-HD2 D 2.9 ambi=2 { CD:44 } atom: 553 58E-H N 8.54 ambi=1 { N:119.1 } :: atom: 545 57R-HD3 D 3.03 ambi=2 { CD:44 } atom: 553 58E-H N 8.54 ambi=1 { N:119.1 } ::sumAvg: 4.68 atom: 544 57R-HD2 D 2.9 ambi=2 { CD:44 } atom: 702 71W-HE1 E1 9.86 ambi=1 { NE1:130.1 } :: atom: 545 57R-HD3 D 3.03 ambi=2 { CD:44 } atom: 702 71W-HE1 E1 9.86 ambi=1 { NE1:130.1 } ::sumAvg: 4.56 atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } atom: 553 58E-H N 8.54 ambi=1 { N:119.1 } ::sumAvg: 4.85 atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } atom: 553 58E-H N 8.54 ambi=1 { N:119.1 } ::sumAvg: 3.425 atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } atom: 691 70A-H N 7.74 ambi=1 { N:119.6 } ::sumAvg: 4.465 atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } ::sumAvg: 4.97 atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } ::sumAvg: 3.59 atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } ::sumAvg: 4.045 atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 4.475 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } ::sumAvg: 4.475 atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } ::sumAvg: 4.03 atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } atom: 677 69R-HA A 3.81 ambi=1 { CA:58.5 } :: atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } atom: 677 69R-HA A 3.81 ambi=1 { CA:58.5 } ::sumAvg: 4.32 atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } :: atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } :: atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } ::sumAvg: 4.285 atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } :: atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } ::sumAvg: 4.9 atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } :: atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } ::sumAvg: 4.9 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } :: atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } ::sumAvg: 4.17 atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } ::sumAvg: 4.84 atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } ::sumAvg: 3.65 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 563 59L-H N 8.83 ambi=1 { N:127.5 } ::sumAvg: 3.56 atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } ::sumAvg: 4.29 atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } :: atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } ::sumAvg: 4.445 atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } :: atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } ::sumAvg: 4.445 atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } atom: 702 71W-HE1 E1 9.86 ambi=1 { NE1:130.1 } ::sumAvg: 4.27 atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } ::sumAvg: 4.27 atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } atom: 564 59L-HA A 3.94 ambi=1 { CA:53.1 } ::sumAvg: 4.27 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } ::sumAvg: 2.53 atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } ::sumAvg: 2.53 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } ::sumAvg: 4.175 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } ::sumAvg: 4.23 atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } ::sumAvg: 4.23 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } ::sumAvg: 4.275 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } ::sumAvg: 4.275 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 699 71W-HB2 B 3.06 ambi=1 { CB:28.6 } :: atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 699 71W-HB2 B 3.06 ambi=1 { CB:28.6 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } ::sumAvg: 4.765 atom: 699 71W-HB2 B 3.06 ambi=1 { CB:28.6 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 699 71W-HB2 B 3.06 ambi=1 { CB:28.6 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } :: atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } ::sumAvg: 4.765 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 701 71W-HD1 D1 7.11 ambi=1 { CD1:127.4 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 701 71W-HD1 D1 7.11 ambi=1 { CD1:127.4 } ::sumAvg: 4.52 atom: 701 71W-HD1 D1 7.11 ambi=1 { CD1:127.4 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 701 71W-HD1 D1 7.11 ambi=1 { CD1:127.4 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } ::sumAvg: 4.52 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 702 71W-HE1 E1 9.86 ambi=1 { NE1:130.1 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 702 71W-HE1 E1 9.86 ambi=1 { NE1:130.1 } ::sumAvg: 3.625 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } ::sumAvg: 4.13 atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } ::sumAvg: 4.13 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } ::sumAvg: 3.18 atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } ::sumAvg: 3.18 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } ::sumAvg: 3.925 atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } ::sumAvg: 3.925 atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } :: atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } ::sumAvg: 3.795 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 565 59L-HB2 B -0.09 ambi=2 { CB:42.3 } :: atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 566 59L-HB3 B 0.16 ambi=2 { CB:42.3 } ::sumAvg: 3.795 atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } ::sumAvg: 3.235 atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } ::sumAvg: 4.555 atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } ::sumAvg: 4.555 atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } :: atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } ::sumAvg: 4.525 atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } :: atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } ::sumAvg: 4.525 atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } ::sumAvg: 4.775 atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } atom: 610 63F-HB2 B 2.73 ambi=2 { CB:40 } :: atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } atom: 611 63F-HB3 B 2.56 ambi=2 { CB:40 } ::sumAvg: 3.255 atom: 610 63F-HB2 B 2.73 ambi=2 { CB:40 } atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } :: atom: 611 63F-HB3 B 2.56 ambi=2 { CB:40 } atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } ::sumAvg: 3.255 atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } ::sumAvg: 3.59 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 567 59L-HG G 0.52 ambi=1 { CG:25.9 } ::sumAvg: 3.59 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } ::sumAvg: 4.71 atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } ::sumAvg: 4.71 atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } :: atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } ::sumAvg: 3.965 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 609 63F-HA A 4.29 ambi=1 { CA:54.9 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 609 63F-HA A 4.29 ambi=1 { CA:54.9 } ::sumAvg: 4.465 atom: 609 63F-HA A 4.29 ambi=1 { CA:54.9 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 609 63F-HA A 4.29 ambi=1 { CA:54.9 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } ::sumAvg: 4.465 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } ::sumAvg: 3.35 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } ::sumAvg: 3.35 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } ::sumAvg: 4.325 atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } ::sumAvg: 4.325 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 624 64D-H N 7.04 ambi=1 { N:118.2 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 624 64D-H N 7.04 ambi=1 { N:118.2 } ::sumAvg: 4.75 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } ::sumAvg: 4.235 atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } :: atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } ::sumAvg: 4.235 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } ::sumAvg: 4.475 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } ::sumAvg: 4.57 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } ::sumAvg: 4.575 atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 704 71W-HZ2 Z2 6.68 ambi=1 { CZ2:114.3 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } ::sumAvg: 4.575 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } ::sumAvg: 3.825 atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } ::sumAvg: 3.825 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } ::sumAvg: 4.7 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } ::sumAvg: 4.7 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 4.575 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } ::sumAvg: 4.575 atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } :: atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } ::sumAvg: 4.415 atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } atom: 568 59L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } atom: 569 59L-HD2 D2 0.11 ambi=2 { CD2:22.1 } ::sumAvg: 4.415 atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } :: atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } ::sumAvg: 4.675 atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 576 60D-H N 8.29 ambi=1 { N:126.9 } ::sumAvg: 4.71 atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } ::sumAvg: 4.13 atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } ::sumAvg: 4.13 atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } ::sumAvg: 4.75 atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } :: atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } ::sumAvg: 3.92 atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } :: atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } atom: 577 60D-HA A 4.87 ambi=1 { CA:53.2 } ::sumAvg: 3.92 atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } :: atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } ::sumAvg: 4.795 atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } :: atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } ::sumAvg: 4.795 atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } :: atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } ::sumAvg: 4.47 atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } atom: 602 62P-HG2 G 1.8 ambi=2 { CG:27.3 } :: atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } atom: 603 62P-HG3 G 1.9 ambi=2 { CG:27.3 } :: atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } atom: 602 62P-HG2 G 1.8 ambi=2 { CG:27.3 } :: atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } atom: 603 62P-HG3 G 1.9 ambi=2 { CG:27.3 } ::sumAvg: 3.895 atom: 602 62P-HG2 G 1.8 ambi=2 { CG:27.3 } atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } :: atom: 603 62P-HG3 G 1.9 ambi=2 { CG:27.3 } atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } :: atom: 602 62P-HG2 G 1.8 ambi=2 { CG:27.3 } atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } :: atom: 603 62P-HG3 G 1.9 ambi=2 { CG:27.3 } atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } ::sumAvg: 3.895 atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } :: atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } :: atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } :: atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } ::sumAvg: 2.045 atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } :: atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } atom: 578 60D-HB2 B 2.45 ambi=2 { CB:40.8 } :: atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } :: atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } atom: 579 60D-HB3 B 2.74 ambi=2 { CB:40.8 } ::sumAvg: 2.045 atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } ::sumAvg: 4.78 atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } ::sumAvg: 4.675 atom: 602 62P-HG2 G 1.8 ambi=2 { CG:27.3 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } :: atom: 603 62P-HG3 G 1.9 ambi=2 { CG:27.3 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } ::sumAvg: 4.5 atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } :: atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } ::sumAvg: 2.3 atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 583 61W-H N 7.88 ambi=1 { N:121 } ::sumAvg: 4.945 atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } ::sumAvg: 4.435 atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } ::sumAvg: 4.435 atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } ::sumAvg: 3.815 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } ::sumAvg: 2.885 atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } ::sumAvg: 4.73 atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } atom: 584 61W-HA A 3.99 ambi=1 { CA:55.5 } ::sumAvg: 4.73 atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 588 61W-HE1 E1 10.25 ambi=1 { NE1:131.8 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 588 61W-HE1 E1 10.25 ambi=1 { NE1:131.8 } ::sumAvg: 4.91 atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } ::sumAvg: 3.145 atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 602 62P-HG2 G 1.8 ambi=2 { CG:27.3 } :: atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } atom: 603 62P-HG3 G 1.9 ambi=2 { CG:27.3 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 602 62P-HG2 G 1.8 ambi=2 { CG:27.3 } :: atom: 586 61W-HB3 B 3.46 ambi=2 { CB:29.9 } atom: 603 62P-HG3 G 1.9 ambi=2 { CG:27.3 } ::sumAvg: 3.83 atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } :: atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } atom: 585 61W-HB2 B 2.77 ambi=2 { CB:29.9 } ::sumAvg: 1.81 atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } atom: 602 62P-HG2 G 1.8 ambi=2 { CG:27.3 } :: atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } atom: 603 62P-HG3 G 1.9 ambi=2 { CG:27.3 } ::sumAvg: 3.825 atom: 602 62P-HG2 G 1.8 ambi=2 { CG:27.3 } atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } :: atom: 603 62P-HG3 G 1.9 ambi=2 { CG:27.3 } atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } ::sumAvg: 3.825 atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } :: atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } atom: 587 61W-HD1 D1 7.01 ambi=1 { CD1:126.8 } ::sumAvg: 3.34 atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } ::sumAvg: 4.29 atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } ::sumAvg: 4.29 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } ::sumAvg: 2.85 atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } ::sumAvg: 3.585 atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } ::sumAvg: 3.585 atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } ::sumAvg: 4.29 atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 590 61W-HZ2 Z2 7.2 ambi=1 { CZ2:114.7 } ::sumAvg: 4.29 atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } ::sumAvg: 4.955 atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } ::sumAvg: 4.955 atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } ::sumAvg: 3.53 atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } ::sumAvg: 2.845 atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } atom: 591 61W-HZ3 Z3 6 ambi=1 { CZ3:121.8 } ::sumAvg: 2.845 atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } ::sumAvg: 4.335 atom: 589 61W-HE3 E3 5.9 ambi=1 { CE3:118.1 } atom: 592 61W-HH2 H2 6.76 ambi=1 { CH2:124.4 } ::sumAvg: 4.335 atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } :: atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } ::sumAvg: 4.825 atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 604 62P-HD2 D 3.5 ambi=2 { CD:50.4 } :: atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 605 62P-HD3 D 3.6 ambi=2 { CD:50.4 } ::sumAvg: 4.825 atom: 609 63F-HA A 4.29 ambi=1 { CA:54.9 } atom: 608 63F-H N 6.58 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.835 atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } atom: 608 63F-H N 6.58 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.49 atom: 609 63F-HA A 4.29 ambi=1 { CA:54.9 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } ::sumAvg: 3.71 atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 609 63F-HA A 4.29 ambi=1 { CA:54.9 } :: atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } atom: 609 63F-HA A 4.29 ambi=1 { CA:54.9 } ::sumAvg: 4.86 atom: 609 63F-HA A 4.29 ambi=1 { CA:54.9 } atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 609 63F-HA A 4.29 ambi=1 { CA:54.9 } atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } ::sumAvg: 3.8 atom: 609 63F-HA A 4.29 ambi=1 { CA:54.9 } atom: 654 67R-HD2 D 3.05 ambi=2 { CD:43.2 } :: atom: 609 63F-HA A 4.29 ambi=1 { CA:54.9 } atom: 655 67R-HD3 D 3.15 ambi=2 { CD:43.2 } ::sumAvg: 3.545 atom: 610 63F-HB2 B 2.73 ambi=2 { CB:40 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } :: atom: 611 63F-HB3 B 2.56 ambi=2 { CB:40 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } ::sumAvg: 3.775 atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } atom: 610 63F-HB2 B 2.73 ambi=2 { CB:40 } :: atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } atom: 611 63F-HB3 B 2.56 ambi=2 { CB:40 } ::sumAvg: 3.775 atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } atom: 610 63F-HB2 B 2.73 ambi=2 { CB:40 } :: atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } atom: 610 63F-HB2 B 2.73 ambi=2 { CB:40 } :: atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } atom: 611 63F-HB3 B 2.56 ambi=2 { CB:40 } :: atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } atom: 611 63F-HB3 B 2.56 ambi=2 { CB:40 } ::sumAvg: 3.315 atom: 610 63F-HB2 B 2.73 ambi=2 { CB:40 } atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } :: atom: 611 63F-HB3 B 2.56 ambi=2 { CB:40 } atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } ::sumAvg: 4.44 atom: 610 63F-HB2 B 2.73 ambi=2 { CB:40 } atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } :: atom: 611 63F-HB3 B 2.56 ambi=2 { CB:40 } atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } ::sumAvg: 4.855 atom: 610 63F-HB2 B 2.73 ambi=2 { CB:40 } atom: 655 67R-HD3 D 3.15 ambi=2 { CD:43.2 } :: atom: 611 63F-HB3 B 2.56 ambi=2 { CB:40 } atom: 654 67R-HD2 D 3.05 ambi=2 { CD:43.2 } :: atom: 611 63F-HB3 B 2.56 ambi=2 { CB:40 } atom: 655 67R-HD3 D 3.15 ambi=2 { CD:43.2 } ::sumAvg: 4.42 atom: 610 63F-HB2 B 2.73 ambi=2 { CB:40 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } :: atom: 611 63F-HB3 B 2.56 ambi=2 { CB:40 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } ::sumAvg: 3.68 atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } ::sumAvg: 4.26 atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } ::sumAvg: 4.26 atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } :: atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } ::sumAvg: 2.56 atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } ::sumAvg: 3.315 atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } ::sumAvg: 3.315 atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 631 65A-H N 9.06 ambi=1 { N:120.7 } ::sumAvg: 4.71 atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 632 65A-HA A 4.17 ambi=1 { CA:57.1 } ::sumAvg: 4.055 atom: 632 65A-HA A 4.17 ambi=1 { CA:57.1 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } ::sumAvg: 4.055 atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } ::sumAvg: 4.235 atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } :: atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } ::sumAvg: 4.235 atom: 612 63F-QD D 6.58 ambi=3 { CD1:132.6 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } ::sumAvg: 3.73 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } :: atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } ::sumAvg: 3.335 atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } :: atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } ::sumAvg: 3.335 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } ::sumAvg: 4.995 atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } atom: 632 65A-HA A 4.17 ambi=1 { CA:57.1 } ::sumAvg: 4.505 atom: 632 65A-HA A 4.17 ambi=1 { CA:57.1 } atom: 614 63F-QE E 7.02 ambi=3 { CE1:129.7 } ::sumAvg: 4.505 atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } :: atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } ::sumAvg: 4.915 atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } :: atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } atom: 616 63F-HZ Z 6.71 ambi=1 { CZ:128.6 } ::sumAvg: 4.915 atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } atom: 624 64D-H N 7.04 ambi=1 { N:118.2 } :: atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } atom: 624 64D-H N 7.04 ambi=1 { N:118.2 } ::sumAvg: 4.41 atom: 642 66P-HD2 D 3.52 ambi=2 { CD:49.4 } atom: 624 64D-H N 7.04 ambi=1 { N:118.2 } :: atom: 643 66P-HD3 D 3.54 ambi=2 { CD:49.4 } atom: 624 64D-H N 7.04 ambi=1 { N:118.2 } ::sumAvg: 4.685 atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } ::sumAvg: 4.22 atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } atom: 642 66P-HD2 D 3.52 ambi=2 { CD:49.4 } :: atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } atom: 643 66P-HD3 D 3.54 ambi=2 { CD:49.4 } ::sumAvg: 3.96 atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } ::sumAvg: 4.64 atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } ::sumAvg: 4.175 atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } :: atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } ::sumAvg: 4.175 atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } atom: 654 67R-HD2 D 3.05 ambi=2 { CD:43.2 } :: atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } atom: 655 67R-HD3 D 3.15 ambi=2 { CD:43.2 } ::sumAvg: 4.66 atom: 654 67R-HD2 D 3.05 ambi=2 { CD:43.2 } atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } :: atom: 655 67R-HD3 D 3.15 ambi=2 { CD:43.2 } atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } ::sumAvg: 4.66 atom: 625 64D-HA A 4.55 ambi=1 { CA:50.5 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } ::sumAvg: 4.95 atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 632 65A-HA A 4.17 ambi=1 { CA:57.1 } :: atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } atom: 632 65A-HA A 4.17 ambi=1 { CA:57.1 } ::sumAvg: 4.57 atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } :: atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } ::sumAvg: 3.57 atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 640 66P-HG2 G 1.74 ambi=2 { CG:28.1 } :: atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 641 66P-HG3 G 2 ambi=2 { CG:28.1 } :: atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } atom: 640 66P-HG2 G 1.74 ambi=2 { CG:28.1 } :: atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } atom: 641 66P-HG3 G 2 ambi=2 { CG:28.1 } ::sumAvg: 2.865 atom: 640 66P-HG2 G 1.74 ambi=2 { CG:28.1 } atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } :: atom: 641 66P-HG3 G 2 ambi=2 { CG:28.1 } atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } :: atom: 640 66P-HG2 G 1.74 ambi=2 { CG:28.1 } atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } :: atom: 641 66P-HG3 G 2 ambi=2 { CG:28.1 } atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } ::sumAvg: 2.865 atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } :: atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } ::sumAvg: 2.545 atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 649 67R-HA A 4 ambi=1 { CA:58.9 } :: atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } atom: 649 67R-HA A 4 ambi=1 { CA:58.9 } ::sumAvg: 4.665 atom: 649 67R-HA A 4 ambi=1 { CA:58.9 } atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } :: atom: 649 67R-HA A 4 ambi=1 { CA:58.9 } atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } ::sumAvg: 4.665 atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } :: atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } ::sumAvg: 2.555 atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 652 67R-HG2 G 1.51 ambi=2 { CG:28.4 } :: atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 653 67R-HG3 G 1.59 ambi=2 { CG:28.4 } :: atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } atom: 652 67R-HG2 G 1.51 ambi=2 { CG:28.4 } :: atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } atom: 653 67R-HG3 G 1.59 ambi=2 { CG:28.4 } ::sumAvg: 2.975 atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 654 67R-HD2 D 3.05 ambi=2 { CD:43.2 } :: atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 655 67R-HD3 D 3.15 ambi=2 { CD:43.2 } ::sumAvg: 2.715 atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } :: atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } ::sumAvg: 4.86 atom: 626 64D-HB2 B 2.55 ambi=2 { CB:42.1 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } :: atom: 627 64D-HB3 B 2.94 ambi=2 { CB:42.1 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } ::sumAvg: 4.345 atom: 640 66P-HG2 G 1.74 ambi=2 { CG:28.1 } atom: 631 65A-H N 9.06 ambi=1 { N:120.7 } :: atom: 641 66P-HG3 G 2 ambi=2 { CG:28.1 } atom: 631 65A-H N 9.06 ambi=1 { N:120.7 } ::sumAvg: 4.2 atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 631 65A-H N 9.06 ambi=1 { N:120.7 } :: atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } atom: 631 65A-H N 9.06 ambi=1 { N:120.7 } ::sumAvg: 4.735 atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } ::sumAvg: 4.565 atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } ::sumAvg: 4.745 atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } atom: 633 65A-HB B 1.4 ambi=1 { CB:16.2 } ::sumAvg: 4.905 atom: 637 66P-HA A 4.13 ambi=1 { CA:66.2 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } ::sumAvg: 4.155 atom: 637 66P-HA A 4.13 ambi=1 { CA:66.2 } atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } ::sumAvg: 3.165 atom: 637 66P-HA A 4.13 ambi=1 { CA:66.2 } atom: 691 70A-H N 7.74 ambi=1 { N:119.6 } ::sumAvg: 3.82 atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } atom: 637 66P-HA A 4.13 ambi=1 { CA:66.2 } ::sumAvg: 4.425 atom: 639 66P-HB3 B 2.12 ambi=2 { CB:30.6 } atom: 652 67R-HG2 G 1.51 ambi=2 { CG:28.4 } :: atom: 639 66P-HB3 B 2.12 ambi=2 { CB:30.6 } atom: 653 67R-HG3 G 1.59 ambi=2 { CG:28.4 } ::sumAvg: 4.34 atom: 652 67R-HG2 G 1.51 ambi=2 { CG:28.4 } atom: 639 66P-HB3 B 2.12 ambi=2 { CB:30.6 } :: atom: 653 67R-HG3 G 1.59 ambi=2 { CG:28.4 } atom: 639 66P-HB3 B 2.12 ambi=2 { CB:30.6 } ::sumAvg: 4.34 atom: 638 66P-HB2 B 1.7 ambi=2 { CB:30.6 } atom: 691 70A-H N 7.74 ambi=1 { N:119.6 } :: atom: 639 66P-HB3 B 2.12 ambi=2 { CB:30.6 } atom: 691 70A-H N 7.74 ambi=1 { N:119.6 } ::sumAvg: 4.935 atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } atom: 639 66P-HB3 B 2.12 ambi=2 { CB:30.6 } ::sumAvg: 4.325 atom: 640 66P-HG2 G 1.74 ambi=2 { CG:28.1 } atom: 649 67R-HA A 4 ambi=1 { CA:58.9 } :: atom: 641 66P-HG3 G 2 ambi=2 { CG:28.1 } atom: 649 67R-HA A 4 ambi=1 { CA:58.9 } ::sumAvg: 4.285 atom: 652 67R-HG2 G 1.51 ambi=2 { CG:28.4 } atom: 641 66P-HG3 G 2 ambi=2 { CG:28.1 } :: atom: 653 67R-HG3 G 1.59 ambi=2 { CG:28.4 } atom: 641 66P-HG3 G 2 ambi=2 { CG:28.1 } ::sumAvg: 3.205 atom: 640 66P-HG2 G 1.74 ambi=2 { CG:28.1 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } :: atom: 641 66P-HG3 G 2 ambi=2 { CG:28.1 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } ::sumAvg: 4.95 atom: 652 67R-HG2 G 1.51 ambi=2 { CG:28.4 } atom: 642 66P-HD2 D 3.52 ambi=2 { CD:49.4 } :: atom: 653 67R-HG3 G 1.59 ambi=2 { CG:28.4 } atom: 642 66P-HD2 D 3.52 ambi=2 { CD:49.4 } :: atom: 652 67R-HG2 G 1.51 ambi=2 { CG:28.4 } atom: 643 66P-HD3 D 3.54 ambi=2 { CD:49.4 } :: atom: 653 67R-HG3 G 1.59 ambi=2 { CG:28.4 } atom: 643 66P-HD3 D 3.54 ambi=2 { CD:49.4 } ::sumAvg: 4.705 atom: 642 66P-HD2 D 3.52 ambi=2 { CD:49.4 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } :: atom: 643 66P-HD3 D 3.54 ambi=2 { CD:49.4 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } ::sumAvg: 4.5 atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } :: atom: 666 68L-HB3 B 1.55 ambi=2 { CB:42 } atom: 648 67R-H N 7.85 ambi=1 { N:119.3 } ::sumAvg: 4.665 atom: 649 67R-HA A 4 ambi=1 { CA:58.9 } atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } ::sumAvg: 4.97 atom: 649 67R-HA A 4 ambi=1 { CA:58.9 } atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } ::sumAvg: 4.395 atom: 649 67R-HA A 4 ambi=1 { CA:58.9 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } ::sumAvg: 4.04 atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } :: atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } atom: 664 68L-HA A 3.71 ambi=1 { CA:58.3 } ::sumAvg: 4.19 atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } ::sumAvg: 4.51 atom: 665 68L-HB2 B 1.34 ambi=2 { CB:42 } atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } ::sumAvg: 4.51 atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } :: atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } ::sumAvg: 4.665 atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } ::sumAvg: 4.49 atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } ::sumAvg: 4.49 atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } :: atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } ::sumAvg: 4.89 atom: 699 71W-HB2 B 3.06 ambi=1 { CB:28.6 } atom: 650 67R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 699 71W-HB2 B 3.06 ambi=1 { CB:28.6 } atom: 651 67R-HB3 B 1.91 ambi=2 { CB:30.4 } ::sumAvg: 4.595 atom: 652 67R-HG2 G 1.51 ambi=2 { CG:28.4 } atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } :: atom: 653 67R-HG3 G 1.59 ambi=2 { CG:28.4 } atom: 656 67R-HE E 7.24 ambi=1 { NE:85.2 } ::sumAvg: 2.73 atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } :: atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } atom: 663 68L-H N 8.45 ambi=1 { N:121.6 } ::sumAvg: 4.76 atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } ::sumAvg: 4.865 atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } :: atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } atom: 669 68L-HD2 D2 0.44 ambi=2 { CD2:25.6 } ::sumAvg: 4.955 atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 3.035 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 668 68L-HD1 D1 -0.65 ambi=2 { CD1:25.2 } ::sumAvg: 3.035 atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } ::sumAvg: 4.49 atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } ::sumAvg: 4.49 atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } ::sumAvg: 3.75 atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } atom: 677 69R-HA A 3.81 ambi=1 { CA:58.5 } ::sumAvg: 3.625 atom: 677 69R-HA A 3.81 ambi=1 { CA:58.5 } atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } ::sumAvg: 3.625 atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } :: atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } ::sumAvg: 4.66 atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } :: atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } ::sumAvg: 4.66 atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } ::sumAvg: 4.745 atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } ::sumAvg: 4.745 atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } ::sumAvg: 4.19 atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } ::sumAvg: 4.19 atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } ::sumAvg: 4.48 atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } ::sumAvg: 2.995 atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } atom: 667 68L-HG G 1.17 ambi=1 { CG:27.5 } ::sumAvg: 2.995 atom: 717 72L-HA A 3.51 ambi=1 { CA:57.5 } atom: 730 73D-HA A 4.26 ambi=1 { CA:55.8 } ::sumAvg: 4.725 atom: 730 73D-HA A 4.26 ambi=1 { CA:55.8 } atom: 717 72L-HA A 3.51 ambi=1 { CA:57.5 } ::sumAvg: 4.725 atom: 717 72L-HA A 3.51 ambi=1 { CA:57.5 } atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } ::sumAvg: 4.8 atom: 717 72L-HA A 3.51 ambi=1 { CA:57.5 } atom: 742 75A-H N 7.02 ambi=1 { N:123 } ::sumAvg: 3.46 atom: 717 72L-HA A 3.51 ambi=1 { CA:57.5 } atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } ::sumAvg: 3.905 atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 730 73D-HA A 4.26 ambi=1 { CA:55.8 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 730 73D-HA A 4.26 ambi=1 { CA:55.8 } ::sumAvg: 4.1 atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 731 73D-HB2 B 2.57 ambi=2 { CB:39.8 } :: atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 732 73D-HB3 B 2.52 ambi=2 { CB:39.8 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 731 73D-HB2 B 2.57 ambi=2 { CB:39.8 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 732 73D-HB3 B 2.52 ambi=2 { CB:39.8 } ::sumAvg: 4.815 atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 736 74A-H N 7.11 ambi=1 { N:120.6 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 736 74A-H N 7.11 ambi=1 { N:120.6 } ::sumAvg: 4.73 atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } ::sumAvg: 4.92 atom: 682 69R-HD2 D 3.3 ambi=2 { CD:43.4 } atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } :: atom: 683 69R-HD3 D 3.14 ambi=2 { CD:43.4 } atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } ::sumAvg: 4.515 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 676 69R-H N 8.73 ambi=1 { N:119.9 } ::sumAvg: 4.1 atom: 677 69R-HA A 3.81 ambi=1 { CA:58.5 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } ::sumAvg: 4.34 atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } atom: 677 69R-HA A 3.81 ambi=1 { CA:58.5 } ::sumAvg: 3.665 atom: 677 69R-HA A 3.81 ambi=1 { CA:58.5 } atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } ::sumAvg: 4.06 atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } :: atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } ::sumAvg: 4.65 atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } atom: 692 70A-HA A 4.03 ambi=1 { CA:54.9 } :: atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } atom: 692 70A-HA A 4.03 ambi=1 { CA:54.9 } ::sumAvg: 4.31 atom: 692 70A-HA A 4.03 ambi=1 { CA:54.9 } atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } :: atom: 692 70A-HA A 4.03 ambi=1 { CA:54.9 } atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } ::sumAvg: 4.31 atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } :: atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } ::sumAvg: 3.985 atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } :: atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } ::sumAvg: 3.985 atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 678 69R-HB2 B 1.78 ambi=2 { CB:31 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } :: atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 679 69R-HB3 B 1.95 ambi=2 { CB:31 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 3.865 atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 681 69R-HG3 G 1.73 ambi=2 { CG:25.4 } ::sumAvg: 4.415 atom: 680 69R-HG2 G 1.5 ambi=2 { CG:25.4 } atom: 692 70A-HA A 4.03 ambi=1 { CA:54.9 } :: atom: 681 69R-HG3 G 1.73 ambi=2 { CG:25.4 } atom: 692 70A-HA A 4.03 ambi=1 { CA:54.9 } ::sumAvg: 3.685 atom: 692 70A-HA A 4.03 ambi=1 { CA:54.9 } atom: 680 69R-HG2 G 1.5 ambi=2 { CG:25.4 } :: atom: 692 70A-HA A 4.03 ambi=1 { CA:54.9 } atom: 681 69R-HG3 G 1.73 ambi=2 { CG:25.4 } ::sumAvg: 3.685 atom: 680 69R-HG2 G 1.5 ambi=2 { CG:25.4 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 680 69R-HG2 G 1.5 ambi=2 { CG:25.4 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } :: atom: 681 69R-HG3 G 1.73 ambi=2 { CG:25.4 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 681 69R-HG3 G 1.73 ambi=2 { CG:25.4 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 4.81 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 680 69R-HG2 G 1.5 ambi=2 { CG:25.4 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 680 69R-HG2 G 1.5 ambi=2 { CG:25.4 } :: atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 681 69R-HG3 G 1.73 ambi=2 { CG:25.4 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 681 69R-HG3 G 1.73 ambi=2 { CG:25.4 } ::sumAvg: 4.81 atom: 680 69R-HG2 G 1.5 ambi=2 { CG:25.4 } atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } :: atom: 681 69R-HG3 G 1.73 ambi=2 { CG:25.4 } atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } ::sumAvg: 4.29 atom: 680 69R-HG2 G 1.5 ambi=2 { CG:25.4 } atom: 731 73D-HB2 B 2.57 ambi=2 { CB:39.8 } :: atom: 680 69R-HG2 G 1.5 ambi=2 { CG:25.4 } atom: 732 73D-HB3 B 2.52 ambi=2 { CB:39.8 } :: atom: 681 69R-HG3 G 1.73 ambi=2 { CG:25.4 } atom: 731 73D-HB2 B 2.57 ambi=2 { CB:39.8 } :: atom: 681 69R-HG3 G 1.73 ambi=2 { CG:25.4 } atom: 732 73D-HB3 B 2.52 ambi=2 { CB:39.8 } ::sumAvg: 4.355 atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 682 69R-HD2 D 3.3 ambi=2 { CD:43.4 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 682 69R-HD2 D 3.3 ambi=2 { CD:43.4 } :: atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 683 69R-HD3 D 3.14 ambi=2 { CD:43.4 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 683 69R-HD3 D 3.14 ambi=2 { CD:43.4 } ::sumAvg: 3.57 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 682 69R-HD2 D 3.3 ambi=2 { CD:43.4 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 682 69R-HD2 D 3.3 ambi=2 { CD:43.4 } :: atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 683 69R-HD3 D 3.14 ambi=2 { CD:43.4 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 683 69R-HD3 D 3.14 ambi=2 { CD:43.4 } ::sumAvg: 3.19 atom: 682 69R-HD2 D 3.3 ambi=2 { CD:43.4 } atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } :: atom: 683 69R-HD3 D 3.14 ambi=2 { CD:43.4 } atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } ::sumAvg: 4.74 atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } ::sumAvg: 4.525 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } ::sumAvg: 4.845 atom: 730 73D-HA A 4.26 ambi=1 { CA:55.8 } atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } ::sumAvg: 4.925 atom: 731 73D-HB2 B 2.57 ambi=2 { CB:39.8 } atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } :: atom: 732 73D-HB3 B 2.52 ambi=2 { CB:39.8 } atom: 684 69R-HE E 6.93 ambi=1 { NE:84.4 } ::sumAvg: 4.9 atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 691 70A-H N 7.74 ambi=1 { N:119.6 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 691 70A-H N 7.74 ambi=1 { N:119.6 } ::sumAvg: 4.895 atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } atom: 691 70A-H N 7.74 ambi=1 { N:119.6 } ::sumAvg: 4.745 atom: 692 70A-HA A 4.03 ambi=1 { CA:54.9 } atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } ::sumAvg: 4.395 atom: 692 70A-HA A 4.03 ambi=1 { CA:54.9 } atom: 736 74A-H N 7.11 ambi=1 { N:120.6 } ::sumAvg: 4.34 atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } atom: 698 71W-HA A 4.2 ambi=1 { CA:61.5 } ::sumAvg: 3.825 atom: 698 71W-HA A 4.2 ambi=1 { CA:61.5 } atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } ::sumAvg: 3.825 atom: 699 71W-HB2 B 3.06 ambi=1 { CB:28.6 } atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } :: atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } ::sumAvg: 4.07 atom: 731 73D-HB2 B 2.57 ambi=2 { CB:39.8 } atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } :: atom: 732 73D-HB3 B 2.52 ambi=2 { CB:39.8 } atom: 693 70A-HB B 1.37 ambi=1 { CB:18 } ::sumAvg: 4.07 atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } ::sumAvg: 4.395 atom: 701 71W-HD1 D1 7.11 ambi=1 { CD1:127.4 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } ::sumAvg: 4.935 atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } ::sumAvg: 4.49 atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } ::sumAvg: 4.52 atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } atom: 697 71W-H N 8.03 ambi=1 { N:120.7 } ::sumAvg: 4.66 atom: 698 71W-HA A 4.2 ambi=1 { CA:61.5 } atom: 717 72L-HA A 3.51 ambi=1 { CA:57.5 } ::sumAvg: 4.78 atom: 717 72L-HA A 3.51 ambi=1 { CA:57.5 } atom: 698 71W-HA A 4.2 ambi=1 { CA:61.5 } ::sumAvg: 4.78 atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } atom: 698 71W-HA A 4.2 ambi=1 { CA:61.5 } ::sumAvg: 4.745 atom: 698 71W-HA A 4.2 ambi=1 { CA:61.5 } atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } ::sumAvg: 4.385 atom: 698 71W-HA A 4.2 ambi=1 { CA:61.5 } atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } ::sumAvg: 2.54 atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } atom: 698 71W-HA A 4.2 ambi=1 { CA:61.5 } ::sumAvg: 2.54 atom: 698 71W-HA A 4.2 ambi=1 { CA:61.5 } atom: 742 75A-H N 7.02 ambi=1 { N:123 } ::sumAvg: 4.8 atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } :: atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } ::sumAvg: 4.68 atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } ::sumAvg: 4.68 atom: 699 71W-HB2 B 3.06 ambi=1 { CB:28.6 } atom: 702 71W-HE1 E1 9.86 ambi=1 { NE1:130.1 } ::sumAvg: 4.9 atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } ::sumAvg: 4.845 atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } :: atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } ::sumAvg: 4.495 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } ::sumAvg: 4.495 atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } ::sumAvg: 3.565 atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } ::sumAvg: 3.565 atom: 699 71W-HB2 B 3.06 ambi=1 { CB:28.6 } atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } :: atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } ::sumAvg: 4.655 atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } atom: 699 71W-HB2 B 3.06 ambi=1 { CB:28.6 } :: atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } atom: 700 71W-HB3 B 3.35 ambi=1 { CB:28.6 } ::sumAvg: 4.655 atom: 701 71W-HD1 D1 7.11 ambi=1 { CD1:127.4 } atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } ::sumAvg: 4.065 atom: 718 72L-HB2 B 1.28 ambi=2 { CB:41.6 } atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } :: atom: 719 72L-HB3 B 1.86 ambi=2 { CB:41.6 } atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } ::sumAvg: 4.39 atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } atom: 717 72L-HA A 3.51 ambi=1 { CA:57.5 } ::sumAvg: 4.26 atom: 717 72L-HA A 3.51 ambi=1 { CA:57.5 } atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } ::sumAvg: 4.26 atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } ::sumAvg: 3.65 atom: 720 72L-HG G 1.91 ambi=1 { CG:26.8 } atom: 705 71W-HZ3 Z3 6.45 ambi=1 { CZ3:120.6 } ::sumAvg: 3.65 atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } ::sumAvg: 4.295 atom: 703 71W-HE3 E3 7.13 ambi=1 { CE3:118.9 } atom: 706 71W-HH2 H2 6.52 ambi=1 { CH2:122.6 } ::sumAvg: 4.295 atom: 731 73D-HB2 B 2.57 ambi=2 { CB:39.8 } atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } :: atom: 732 73D-HB3 B 2.52 ambi=2 { CB:39.8 } atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } ::sumAvg: 4.795 atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } atom: 716 72L-H N 8.81 ambi=1 { N:121.5 } ::sumAvg: 4.63 atom: 721 72L-HD1 D1 0.78 ambi=2 { CD1:23.4 } atom: 742 75A-H N 7.02 ambi=1 { N:123 } :: atom: 722 72L-HD2 D2 0.68 ambi=2 { CD2:25.7 } atom: 742 75A-H N 7.02 ambi=1 { N:123 } ::sumAvg: 4.935 atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } atom: 729 73D-H N 8.14 ambi=1 { N:119.1 } ::sumAvg: 4.095 atom: 730 73D-HA A 4.26 ambi=1 { CA:55.8 } atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } ::sumAvg: 4.97 atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } atom: 730 73D-HA A 4.26 ambi=1 { CA:55.8 } ::sumAvg: 4.97 atom: 730 73D-HA A 4.26 ambi=1 { CA:55.8 } atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } ::sumAvg: 4.765 atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } atom: 730 73D-HA A 4.26 ambi=1 { CA:55.8 } ::sumAvg: 4.765 atom: 731 73D-HB2 B 2.57 ambi=2 { CB:39.8 } atom: 737 74A-HA A 4.11 ambi=1 { CA:51.7 } :: atom: 732 73D-HB3 B 2.52 ambi=2 { CB:39.8 } atom: 737 74A-HA A 4.11 ambi=1 { CA:51.7 } ::sumAvg: 4.285 atom: 737 74A-HA A 4.11 ambi=1 { CA:51.7 } atom: 731 73D-HB2 B 2.57 ambi=2 { CB:39.8 } :: atom: 737 74A-HA A 4.11 ambi=1 { CA:51.7 } atom: 732 73D-HB3 B 2.52 ambi=2 { CB:39.8 } ::sumAvg: 4.285 atom: 731 73D-HB2 B 2.57 ambi=2 { CB:39.8 } atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } :: atom: 732 73D-HB3 B 2.52 ambi=2 { CB:39.8 } atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } ::sumAvg: 4.045 atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } atom: 731 73D-HB2 B 2.57 ambi=2 { CB:39.8 } :: atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } atom: 732 73D-HB3 B 2.52 ambi=2 { CB:39.8 } ::sumAvg: 4.045 atom: 743 75A-HA A 3.86 ambi=1 { CA:51.2 } atom: 736 74A-H N 7.11 ambi=1 { N:120.6 } ::sumAvg: 4.88 atom: 737 74A-HA A 4.11 ambi=1 { CA:51.7 } atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } ::sumAvg: 4.425 atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } atom: 743 75A-HA A 3.86 ambi=1 { CA:51.2 } ::sumAvg: 4.08 atom: 753 76P-HD2 D 3.31 ambi=2 { CD:49.8 } atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } :: atom: 754 76P-HD3 D 3.49 ambi=2 { CD:49.8 } atom: 738 74A-HB B 1.2 ambi=1 { CB:18.7 } ::sumAvg: 4.015 atom: 748 76P-HA A 4.13 ambi=1 { CA:63.2 } atom: 742 75A-H N 7.02 ambi=1 { N:123 } ::sumAvg: 4.805 atom: 753 76P-HD2 D 3.31 ambi=2 { CD:49.8 } atom: 742 75A-H N 7.02 ambi=1 { N:123 } :: atom: 754 76P-HD3 D 3.49 ambi=2 { CD:49.8 } atom: 742 75A-H N 7.02 ambi=1 { N:123 } ::sumAvg: 3.455 atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } atom: 749 76P-HB2 B 1.61 ambi=2 { CB:31.6 } :: atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } atom: 750 76P-HB3 B 2.04 ambi=2 { CB:31.6 } ::sumAvg: 4.79 atom: 749 76P-HB2 B 1.61 ambi=2 { CB:31.6 } atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } :: atom: 750 76P-HB3 B 2.04 ambi=2 { CB:31.6 } atom: 744 75A-HB B 1.03 ambi=1 { CB:17.7 } ::sumAvg: 4.79 atom: 748 76P-HA A 4.13 ambi=1 { CA:63.2 } atom: 761 77H-HB2 B 3 ambi=2 { CB:29.6 } :: atom: 748 76P-HA A 4.13 ambi=1 { CA:63.2 } atom: 762 77H-HB3 B 2.94 ambi=2 { CB:29.6 } ::sumAvg: 4.49 atom: 749 76P-HB2 B 1.61 ambi=2 { CB:31.6 } atom: 761 77H-HB2 B 3 ambi=2 { CB:29.6 } :: atom: 749 76P-HB2 B 1.61 ambi=2 { CB:31.6 } atom: 762 77H-HB3 B 2.94 ambi=2 { CB:29.6 } :: atom: 750 76P-HB3 B 2.04 ambi=2 { CB:31.6 } atom: 761 77H-HB2 B 3 ambi=2 { CB:29.6 } :: atom: 750 76P-HB3 B 2.04 ambi=2 { CB:31.6 } atom: 762 77H-HB3 B 2.94 ambi=2 { CB:29.6 } ::sumAvg: 4.715 atom: 761 77H-HB2 B 3 ambi=2 { CB:29.6 } atom: 749 76P-HB2 B 1.61 ambi=2 { CB:31.6 } :: atom: 762 77H-HB3 B 2.94 ambi=2 { CB:29.6 } atom: 749 76P-HB2 B 1.61 ambi=2 { CB:31.6 } :: atom: 761 77H-HB2 B 3 ambi=2 { CB:29.6 } atom: 750 76P-HB3 B 2.04 ambi=2 { CB:31.6 } :: atom: 762 77H-HB3 B 2.94 ambi=2 { CB:29.6 } atom: 750 76P-HB3 B 2.04 ambi=2 { CB:31.6 } ::sumAvg: 4.715 atom: 749 76P-HB2 B 1.61 ambi=2 { CB:31.6 } atom: 770 78A-H N 8.08 ambi=1 { N:125 } :: atom: 750 76P-HB3 B 2.04 ambi=2 { CB:31.6 } atom: 770 78A-H N 8.08 ambi=1 { N:125 } ::sumAvg: 4.115 atom: 749 76P-HB2 B 1.61 ambi=2 { CB:31.6 } atom: 772 78A-HB B 1.18 ambi=1 { CB:19.2 } :: atom: 750 76P-HB3 B 2.04 ambi=2 { CB:31.6 } atom: 772 78A-HB B 1.18 ambi=1 { CB:19.2 } ::sumAvg: 4.815 atom: 772 78A-HB B 1.18 ambi=1 { CB:19.2 } atom: 749 76P-HB2 B 1.61 ambi=2 { CB:31.6 } :: atom: 772 78A-HB B 1.18 ambi=1 { CB:19.2 } atom: 750 76P-HB3 B 2.04 ambi=2 { CB:31.6 } ::sumAvg: 4.815 atom: 760 77H-HA A 4.41 ambi=1 { CA:55.4 } atom: 763 77H-HD2 D2 6.99 ambi=1 { CD2:119.5 } ::sumAvg: 4.155 atom: 760 77H-HA A 4.41 ambi=1 { CA:55.4 } atom: 772 78A-HB B 1.18 ambi=1 { CB:19.2 } ::sumAvg: 4.375 atom: 772 78A-HB B 1.18 ambi=1 { CB:19.2 } atom: 760 77H-HA A 4.41 ambi=1 { CA:55.4 } ::sumAvg: 4.375 atom: 761 77H-HB2 B 3 ambi=2 { CB:29.6 } atom: 763 77H-HD2 D2 6.99 ambi=1 { CD2:119.5 } :: atom: 762 77H-HB3 B 2.94 ambi=2 { CB:29.6 } atom: 763 77H-HD2 D2 6.99 ambi=1 { CD2:119.5 } ::sumAvg: 2.865 atom: 764 77H-HE1 E1 8.24 ambi=1 { CE1:136.5 } atom: 761 77H-HB2 B 3 ambi=2 { CB:29.6 } :: atom: 764 77H-HE1 E1 8.24 ambi=1 { CE1:136.5 } atom: 762 77H-HB3 B 2.94 ambi=2 { CB:29.6 } ::sumAvg: 4.73 atom: 771 78A-HA A 4.06 ambi=1 { CA:52.7 } atom: 761 77H-HB2 B 3 ambi=2 { CB:29.6 } :: atom: 771 78A-HA A 4.06 ambi=1 { CA:52.7 } atom: 762 77H-HB3 B 2.94 ambi=2 { CB:29.6 } ::sumAvg: 4.615 atom: 761 77H-HB2 B 3 ambi=2 { CB:29.6 } atom: 772 78A-HB B 1.18 ambi=1 { CB:19.2 } :: atom: 762 77H-HB3 B 2.94 ambi=2 { CB:29.6 } atom: 772 78A-HB B 1.18 ambi=1 { CB:19.2 } ::sumAvg: 4.17 atom: 764 77H-HE1 E1 8.24 ambi=1 { CE1:136.5 } atom: 763 77H-HD2 D2 6.99 ambi=1 { CD2:119.5 } ::sumAvg: 4.24 atom: 763 77H-HD2 D2 6.99 ambi=1 { CD2:119.5 } atom: 770 78A-H N 8.08 ambi=1 { N:125 } ::sumAvg: 4.765 atom: 763 77H-HD2 D2 6.99 ambi=1 { CD2:119.5 } atom: 772 78A-HB B 1.18 ambi=1 { CB:19.2 } ::sumAvg: 4.795