# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 37 5D-H N 8.03 ambi=1 { N:123.7 } atom: 9 2D-H N 8.56 ambi=1 { N:123 } ::sumAvg: 4.545 atom: 9 2D-H N 8.56 ambi=1 { N:123 } atom: 39 5D-HB2 B 2.84 ambi=2 { CB:41.7 } :: atom: 9 2D-H N 8.56 ambi=1 { N:123 } atom: 40 5D-HB3 B 2.82 ambi=2 { CB:41.7 } ::sumAvg: 4.665 atom: 9 2D-H N 8.56 ambi=1 { N:123 } atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } ::sumAvg: 3.85 atom: 78 9R-H N 7.3 ambi=1 { N:121.4 } atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } ::sumAvg: 4.115 atom: 27 4E-H N 8.41 ambi=1 { N:118.3 } atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } ::sumAvg: 4.785 atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } ::sumAvg: 4.845 atom: 78 9R-H N 7.3 ambi=1 { N:121.4 } atom: 39 5D-HB2 B 2.84 ambi=2 { CB:41.7 } :: atom: 78 9R-H N 7.3 ambi=1 { N:121.4 } atom: 40 5D-HB3 B 2.82 ambi=2 { CB:41.7 } ::sumAvg: 4.485 atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } atom: 44 6P-HA A 3.94 ambi=1 { CA:64.9 } ::sumAvg: 4.525 atom: 93 10Y-H N 8.48 ambi=1 { N:121.7 } atom: 44 6P-HA A 3.94 ambi=1 { CA:64.9 } ::sumAvg: 4.285 atom: 112 12L-H N 7.69 ambi=1 { N:120.9 } atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } :: atom: 112 12L-H N 7.69 ambi=1 { N:120.9 } atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } ::sumAvg: 4.75 atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } :: atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } ::sumAvg: 4.59 atom: 125 13A-H N 8.01 ambi=1 { N:123 } atom: 80 9R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 125 13A-H N 8.01 ambi=1 { N:123 } atom: 81 9R-HB3 B 1.83 ambi=2 { CB:30.4 } ::sumAvg: 4.895 atom: 86 9R-HE E 6.71 ambi=1 { NE:85.1 } atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } ::sumAvg: 4.15 atom: 86 9R-HE E 6.71 ambi=1 { NE:85.1 } atom: 319 32L-H N 7.92 ambi=1 { N:122 } ::sumAvg: 4.75 atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } atom: 97 10Y-QD D 7.05 ambi=3 { CD1:133.3 } :: atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } atom: 97 10Y-QD D 7.05 ambi=3 { CD1:133.3 } ::sumAvg: 4.605 atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } :: atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } ::sumAvg: 4.72 atom: 144 15E-H N 7.9 ambi=1 { N:122.4 } atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } ::sumAvg: 4.775 atom: 106 11A-H N 8.5 ambi=1 { N:121.7 } atom: 135 14Q-HG2 G 1.75 ambi=2 { CG:32.2 } :: atom: 106 11A-H N 8.5 ambi=1 { N:121.7 } atom: 136 14Q-HG3 G 2.01 ambi=2 { CG:32.2 } ::sumAvg: 4.84 atom: 194 19H-H N 7.41 ambi=1 { N:115.8 } atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } ::sumAvg: 4.895 atom: 112 12L-H N 7.69 ambi=1 { N:120.9 } atom: 148 15E-QG G 2.1 ambi=2 { CG:35.5 } ::sumAvg: 4.455 atom: 154 16H-H N 8.22 ambi=1 { N:119.1 } atom: 116 12L-HG G 1.42 ambi=1 { CG:26.4 } ::sumAvg: 4.5 atom: 125 13A-H N 8.01 ambi=1 { N:123 } atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } ::sumAvg: 4.95 atom: 125 13A-H N 8.01 ambi=1 { N:123 } atom: 133 14Q-HB2 B 1.86 ambi=2 { CB:27.7 } :: atom: 125 13A-H N 8.01 ambi=1 { N:123 } atom: 134 14Q-HB3 B 1.89 ambi=2 { CB:27.7 } ::sumAvg: 4.8 atom: 125 13A-H N 8.01 ambi=1 { N:123 } atom: 135 14Q-HG2 G 1.75 ambi=2 { CG:32.2 } :: atom: 125 13A-H N 8.01 ambi=1 { N:123 } atom: 136 14Q-HG3 G 2.01 ambi=2 { CG:32.2 } ::sumAvg: 4.36 atom: 125 13A-H N 8.01 ambi=1 { N:123 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } ::sumAvg: 4.95 atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } ::sumAvg: 4.73 atom: 252 26L-H N 8.42 ambi=1 { N:116.5 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 4.865 atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } atom: 131 14Q-H N 7.66 ambi=1 { N:114 } :: atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } atom: 131 14Q-H N 7.66 ambi=1 { N:114 } ::sumAvg: 4.405 atom: 131 14Q-H N 7.66 ambi=1 { N:114 } atom: 148 15E-QG G 2.1 ambi=2 { CG:35.5 } ::sumAvg: 4.44 atom: 165 17L-H N 8.09 ambi=1 { N:120.5 } atom: 131 14Q-H N 7.66 ambi=1 { N:114 } ::sumAvg: 4.81 atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } atom: 132 14Q-HA A 3.91 ambi=1 { CA:58.2 } :: atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } atom: 132 14Q-HA A 3.91 ambi=1 { CA:58.2 } ::sumAvg: 4.64 atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } atom: 170 17L-HD1 D1 0.97 ambi=2 { CD1:24.9 } :: atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } atom: 171 17L-HD2 D2 0.92 ambi=2 { CD2:24.4 } :: atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } atom: 170 17L-HD1 D1 0.97 ambi=2 { CD1:24.9 } :: atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } atom: 171 17L-HD2 D2 0.92 ambi=2 { CD2:24.4 } ::sumAvg: 4.59 atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } :: atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } ::sumAvg: 4.54 atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } atom: 292 29F-HZ Z 6.72 ambi=1 { CZ:128.8 } :: atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } atom: 292 29F-HZ Z 6.72 ambi=1 { CZ:128.8 } ::sumAvg: 4.605 atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } atom: 453 45H-HE1 E1 7.95 ambi=1 { CE1:139.2 } :: atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } atom: 453 45H-HE1 E1 7.95 ambi=1 { CE1:139.2 } ::sumAvg: 3.62 atom: 144 15E-H N 7.9 ambi=1 { N:122.4 } atom: 182 18K-HG2 G 1.26 ambi=2 { CG:24.7 } :: atom: 144 15E-H N 7.9 ambi=1 { N:122.4 } atom: 183 18K-HG3 G 1.45 ambi=2 { CG:24.7 } ::sumAvg: 4.895 atom: 154 16H-H N 8.22 ambi=1 { N:119.1 } atom: 194 19H-H N 7.41 ambi=1 { N:115.8 } ::sumAvg: 4.78 atom: 178 18K-H N 7.96 ambi=1 { N:121 } atom: 155 16H-HA A 4.52 ambi=1 { CA:59.7 } ::sumAvg: 4.4 atom: 210 21N-H N 8.45 ambi=1 { N:118.7 } atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } :: atom: 210 21N-H N 8.45 ambi=1 { N:118.7 } atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } ::sumAvg: 3.95 atom: 220 22A-H N 8.01 ambi=1 { N:123.3 } atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } :: atom: 220 22A-H N 8.01 ambi=1 { N:123.3 } atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } ::sumAvg: 4.96 atom: 194 19H-H N 7.41 ambi=1 { N:115.8 } atom: 165 17L-H N 8.09 ambi=1 { N:120.5 } ::sumAvg: 4.02 atom: 165 17L-H N 8.09 ambi=1 { N:120.5 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } ::sumAvg: 4.99 atom: 210 21N-H N 8.45 ambi=1 { N:118.7 } atom: 195 19H-HA A 4.72 ambi=1 { CA:54.7 } ::sumAvg: 4.385 atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } atom: 212 21N-HB2 B 2.65 ambi=2 { CB:37 } :: atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } atom: 213 21N-HB3 B 3.06 ambi=2 { CB:37 } ::sumAvg: 4.71 atom: 220 22A-H N 8.01 ambi=1 { N:123.3 } atom: 214 21N-HD21 D2 6.78 ambi=2 { ND2:112.2 } ::sumAvg: 4.865 atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } atom: 254 26L-HB2 B 1.47 ambi=2 { CB:41.8 } :: atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } atom: 255 26L-HB3 B 1.86 ambi=2 { CB:41.8 } ::sumAvg: 4.84 atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } :: atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } ::sumAvg: 4.895 atom: 271 28L-H N 7.5 ambi=1 { N:118.3 } atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } ::sumAvg: 4.645 atom: 284 29F-H N 8.69 ambi=1 { N:119 } atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } ::sumAvg: 4.67 atom: 252 26L-H N 8.42 ambi=1 { N:116.5 } atom: 288 29F-QD D 7 ambi=3 { CD1:130 } ::sumAvg: 4.515 atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } atom: 265 27A-H N 7.19 ambi=1 { N:118.2 } ::sumAvg: 4.78 atom: 271 28L-H N 7.5 ambi=1 { N:118.3 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 271 28L-H N 7.5 ambi=1 { N:118.3 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } ::sumAvg: 4.89 atom: 284 29F-H N 8.69 ambi=1 { N:119 } atom: 303 30E-HG2 G 2.18 ambi=2 { CG:37.9 } :: atom: 284 29F-H N 8.69 ambi=1 { N:119 } atom: 304 30E-HG3 G 2.67 ambi=2 { CG:37.9 } ::sumAvg: 4.575 atom: 284 29F-H N 8.69 ambi=1 { N:119 } atom: 319 32L-H N 7.92 ambi=1 { N:122 } ::sumAvg: 4.65 atom: 319 32L-H N 7.92 ambi=1 { N:122 } atom: 284 29F-H N 8.69 ambi=1 { N:119 } ::sumAvg: 4.65 atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } :: atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } ::sumAvg: 4.91 atom: 332 33V-H N 7.46 ambi=1 { N:116 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } ::sumAvg: 4.82 atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } ::sumAvg: 4.595 atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } :: atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } ::sumAvg: 4.925 atom: 342 34E-H N 7.21 ambi=1 { N:117.4 } atom: 309 31E-H N 7.83 ambi=1 { N:119.5 } ::sumAvg: 4.92 atom: 319 32L-H N 7.92 ambi=1 { N:122 } atom: 355 35T-HG2 G2 1.29 ambi=1 { CG2:20.8 } ::sumAvg: 4.735 atom: 360 36D-H N 8.63 ambi=1 { N:122.8 } atom: 332 33V-H N 7.46 ambi=1 { N:116 } ::sumAvg: 4.68 atom: 332 33V-H N 7.46 ambi=1 { N:116 } atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } ::sumAvg: 4.98 atom: 332 33V-H N 7.46 ambi=1 { N:116 } atom: 416 42T-HG1 G1 5.58 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.6 atom: 332 33V-H N 7.46 ambi=1 { N:116 } atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } :: atom: 332 33V-H N 7.46 ambi=1 { N:116 } atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } ::sumAvg: 4.07 atom: 352 35T-H N 9.1 ambi=1 { N:109.9 } atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } :: atom: 352 35T-H N 9.1 ambi=1 { N:109.9 } atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } ::sumAvg: 4.94 atom: 378 38D-H N 8.63 ambi=1 { N:113.7 } atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } ::sumAvg: 4.515 atom: 385 39Y-H N 8.11 ambi=1 { N:123.7 } atom: 399 40V-HA A 3.77 ambi=1 { CA:65 } ::sumAvg: 4.9 atom: 385 39Y-H N 8.11 ambi=1 { N:123.7 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } ::sumAvg: 4.875 atom: 385 39Y-H N 8.11 ambi=1 { N:123.7 } atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } ::sumAvg: 3.355 atom: 409 41G-H N 7.53 ambi=1 { N:105.9 } atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } :: atom: 409 41G-H N 7.53 ambi=1 { N:105.9 } atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } ::sumAvg: 4.745 atom: 398 40V-H N 7.88 ambi=1 { N:128.1 } atom: 736 73E-HB2 B 2.32 ambi=2 { CB:30.8 } :: atom: 398 40V-H N 7.88 ambi=1 { N:128.1 } atom: 737 73E-HB3 B 1.78 ambi=2 { CB:30.8 } ::sumAvg: 4.795 atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } :: atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } ::sumAvg: 4.15 atom: 409 41G-H N 7.53 ambi=1 { N:105.9 } atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } ::sumAvg: 4.79 atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } ::sumAvg: 4.865 atom: 413 42T-H N 7.15 ambi=1 { N:111.9 } atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } :: atom: 413 42T-H N 7.15 ambi=1 { N:111.9 } atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } ::sumAvg: 4.99 atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } atom: 413 42T-H N 7.15 ambi=1 { N:111.9 } ::sumAvg: 4.675 atom: 448 45H-H N 6.38 ambi=1 { N:114.5 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } ::sumAvg: 4.995 atom: 422 43Y-H N 7.04 ambi=1 { N:113.5 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } ::sumAvg: 4.79 atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } ::sumAvg: 4.295 atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } atom: 473 47G-H N 8.44 ambi=1 { N:106.5 } ::sumAvg: 4.8 atom: 473 47G-H N 8.44 ambi=1 { N:106.5 } atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } ::sumAvg: 4.8 atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } atom: 628 62T-HG2 G2 1.35 ambi=1 { CG2:22.3 } ::sumAvg: 4.55 atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } ::sumAvg: 4.56 atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } ::sumAvg: 4.685 atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } ::sumAvg: 4.73 atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } ::sumAvg: 4.58 atom: 448 45H-H N 6.38 ambi=1 { N:114.5 } atom: 481 48K-HG2 G 0.85 ambi=2 { CG:23.4 } :: atom: 448 45H-H N 6.38 ambi=1 { N:114.5 } atom: 482 48K-HG3 G 1.17 ambi=2 { CG:23.4 } ::sumAvg: 4.68 atom: 493 49L-H N 7.8 ambi=1 { N:124 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } ::sumAvg: 4.71 atom: 506 50Y-H N 8.61 ambi=1 { N:119 } atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } ::sumAvg: 4.775 atom: 493 49L-H N 7.8 ambi=1 { N:124 } atom: 535 52R-HD2 D 3.13 ambi=2 { CD:43.8 } :: atom: 493 49L-H N 7.8 ambi=1 { N:124 } atom: 536 52R-HD3 D 3.21 ambi=2 { CD:43.8 } ::sumAvg: 4.965 atom: 506 50Y-H N 8.61 ambi=1 { N:119 } atom: 542 53L-H N 7.74 ambi=1 { N:119.4 } ::sumAvg: 4.84 atom: 577 56T-H N 7.87 ambi=1 { N:117.3 } atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } :: atom: 577 56T-H N 7.87 ambi=1 { N:117.3 } atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } ::sumAvg: 4.77 atom: 577 56T-H N 7.87 ambi=1 { N:117.3 } atom: 520 51E-HA A 3.76 ambi=1 { CA:61.6 } ::sumAvg: 4.115 atom: 599 59A-H N 8.11 ambi=1 { N:124.7 } atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } ::sumAvg: 4.985 atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } atom: 685 68E-QB B 2.1 ambi=2 { CB:28.5 } ::sumAvg: 4.735 atom: 703 70A-H N 9.29 ambi=1 { N:122.5 } atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } ::sumAvg: 4.615 atom: 618 61D-H N 7.75 ambi=1 { N:118.3 } atom: 601 59A-HB B 1.51 ambi=1 { CB:19.2 } ::sumAvg: 4.52 atom: 633 63Y-H N 8.97 ambi=1 { N:121.7 } atom: 601 59A-HB B 1.51 ambi=1 { CB:19.2 } ::sumAvg: 4.585 atom: 633 63Y-H N 8.97 ambi=1 { N:121.7 } atom: 605 60I-H N 8.23 ambi=1 { N:117.6 } ::sumAvg: 4.835 atom: 646 64A-H N 8.69 ambi=1 { N:119.4 } atom: 618 61D-H N 7.75 ambi=1 { N:118.3 } ::sumAvg: 4.675 atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } :: atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } ::sumAvg: 4.96 atom: 907 89A-H N 8 ambi=1 { N:122.4 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } ::sumAvg: 4.805 atom: 658 65Q-HE21 E2 6.89 ambi=2 { NE2:111.7 } atom: 652 65Q-H N 8.1 ambi=1 { N:119.6 } :: atom: 659 65Q-HE22 E2 7.37 ambi=2 { NE2:111.7 } atom: 652 65Q-H N 8.1 ambi=1 { N:119.6 } ::sumAvg: 4.62 atom: 658 65Q-HE21 E2 6.89 ambi=2 { NE2:111.7 } atom: 666 66G-H N 8.43 ambi=1 { N:108.2 } :: atom: 659 65Q-HE22 E2 7.37 ambi=2 { NE2:111.7 } atom: 666 66G-H N 8.43 ambi=1 { N:108.2 } ::sumAvg: 4.415 atom: 658 65Q-HE21 E2 6.89 ambi=2 { NE2:111.7 } atom: 693 69V-H N 7.44 ambi=1 { N:119.5 } ::sumAvg: 4.81 atom: 693 69V-H N 7.44 ambi=1 { N:119.5 } atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } :: atom: 693 69V-H N 7.44 ambi=1 { N:119.5 } atom: 714 71R-HG3 G 1.82 ambi=2 { CG:27.7 } ::sumAvg: 4.605 atom: 745 74G-H N 8.07 ambi=1 { N:108.1 } atom: 694 69V-HA A 3.74 ambi=1 { CA:65.7 } ::sumAvg: 4.945 atom: 703 70A-H N 9.29 ambi=1 { N:122.5 } atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } :: atom: 703 70A-H N 9.29 ambi=1 { N:122.5 } atom: 714 71R-HG3 G 1.82 ambi=2 { CG:27.7 } ::sumAvg: 3.72 atom: 709 71R-H N 8.28 ambi=1 { N:116.9 } atom: 717 71R-HE E 7.27 ambi=1 { NE:84.1 } ::sumAvg: 4.935 atom: 717 71R-HE E 7.27 ambi=1 { NE:84.1 } atom: 709 71R-H N 8.28 ambi=1 { N:116.9 } ::sumAvg: 4.935 atom: 709 71R-H N 8.28 ambi=1 { N:116.9 } atom: 728 72E-HG2 G 2.32 ambi=2 { CG:35.6 } :: atom: 709 71R-H N 8.28 ambi=1 { N:116.9 } atom: 729 72E-HG3 G 2.39 ambi=2 { CG:35.6 } ::sumAvg: 4.435 atom: 793 79L-H N 7.69 ambi=1 { N:118.4 } atom: 710 71R-HA A 3.87 ambi=1 { CA:59.5 } ::sumAvg: 4.89 atom: 717 71R-HE E 7.27 ambi=1 { NE:84.1 } atom: 728 72E-HG2 G 2.32 ambi=2 { CG:35.6 } :: atom: 717 71R-HE E 7.27 ambi=1 { NE:84.1 } atom: 729 72E-HG3 G 2.39 ambi=2 { CG:35.6 } ::sumAvg: 4.235 atom: 724 72E-H N 7.39 ambi=1 { N:116.8 } atom: 798 79L-HD1 D1 0.9 ambi=2 { CD1:25.3 } :: atom: 724 72E-H N 7.39 ambi=1 { N:116.8 } atom: 799 79L-HD2 D2 0.85 ambi=2 { CD2:25.8 } ::sumAvg: 4.93 atom: 749 75T-H N 8.76 ambi=1 { N:111.4 } atom: 770 77K-H N 8.24 ambi=1 { N:121 } ::sumAvg: 4.665 atom: 749 75T-H N 8.76 ambi=1 { N:111.4 } atom: 786 78D-H N 7.39 ambi=1 { N:117.8 } ::sumAvg: 3.395 atom: 749 75T-H N 8.76 ambi=1 { N:111.4 } atom: 793 79L-H N 7.69 ambi=1 { N:118.4 } ::sumAvg: 4.61 atom: 770 77K-H N 8.24 ambi=1 { N:121 } atom: 750 75T-HA A 4.67 ambi=1 { CA:59 } ::sumAvg: 4.265 atom: 786 78D-H N 7.39 ambi=1 { N:117.8 } atom: 750 75T-HA A 4.67 ambi=1 { CA:59 } ::sumAvg: 4.735 atom: 757 76Q-H N 8.71 ambi=1 { N:123.1 } atom: 772 77K-HB2 B 1.64 ambi=2 { CB:31.9 } :: atom: 757 76Q-H N 8.71 ambi=1 { N:123.1 } atom: 773 77K-HB3 B 1.79 ambi=2 { CB:31.9 } ::sumAvg: 4.785 atom: 757 76Q-H N 8.71 ambi=1 { N:123.1 } atom: 786 78D-H N 7.39 ambi=1 { N:117.8 } ::sumAvg: 4.36 atom: 757 76Q-H N 8.71 ambi=1 { N:123.1 } atom: 793 79L-H N 7.69 ambi=1 { N:118.4 } ::sumAvg: 4.915 atom: 786 78D-H N 7.39 ambi=1 { N:117.8 } atom: 778 77K-QE E 2.86 ambi=2 { CE:41.9 } ::sumAvg: 4.65 atom: 786 78D-H N 7.39 ambi=1 { N:117.8 } atom: 813 81E-H N 7.93 ambi=1 { N:121 } ::sumAvg: 4.78 atom: 786 78D-H N 7.39 ambi=1 { N:117.8 } atom: 817 81E-QG G 2 ambi=2 { CG:36 } ::sumAvg: 4.595 atom: 842 83Q-HE21 E2 7.1 ambi=2 { NE2:110.2 } atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } :: atom: 843 83Q-HE22 E2 6.81 ambi=2 { NE2:110.2 } atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } ::sumAvg: 4.775 atom: 842 83Q-HE21 E2 7.1 ambi=2 { NE2:110.2 } atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } :: atom: 843 83Q-HE22 E2 6.81 ambi=2 { NE2:110.2 } atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } :: atom: 842 83Q-HE21 E2 7.1 ambi=2 { NE2:110.2 } atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } :: atom: 843 83Q-HE22 E2 6.81 ambi=2 { NE2:110.2 } atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } ::sumAvg: 4.475 atom: 836 83Q-H N 8.52 ambi=1 { N:118.3 } atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } ::sumAvg: 4.85 atom: 806 80S-H N 8.4 ambi=1 { N:114 } atom: 842 83Q-HE21 E2 7.1 ambi=2 { NE2:110.2 } :: atom: 806 80S-H N 8.4 ambi=1 { N:114 } atom: 843 83Q-HE22 E2 6.81 ambi=2 { NE2:110.2 } ::sumAvg: 4.245 atom: 842 83Q-HE21 E2 7.1 ambi=2 { NE2:110.2 } atom: 806 80S-H N 8.4 ambi=1 { N:114 } :: atom: 843 83Q-HE22 E2 6.81 ambi=2 { NE2:110.2 } atom: 806 80S-H N 8.4 ambi=1 { N:114 } ::sumAvg: 4.245 atom: 823 82L-H N 7.87 ambi=1 { N:120.9 } atom: 858 85A-HB B 0.78 ambi=1 { CB:16.2 } ::sumAvg: 4.64 atom: 836 83Q-H N 8.52 ambi=1 { N:118.3 } atom: 862 86K-H N 8.07 ambi=1 { N:120.2 } ::sumAvg: 4.9 atom: 862 86K-H N 8.07 ambi=1 { N:120.2 } atom: 836 83Q-H N 8.52 ambi=1 { N:118.3 } ::sumAvg: 4.9 atom: 836 83Q-H N 8.52 ambi=1 { N:118.3 } atom: 868 86K-QD D 1.59 ambi=2 { CD:30.7 } ::sumAvg: 4.99 atom: 842 83Q-HE21 E2 7.1 ambi=2 { NE2:110.2 } atom: 849 84D-H N 8.14 ambi=1 { N:119.7 } :: atom: 843 83Q-HE22 E2 6.81 ambi=2 { NE2:110.2 } atom: 849 84D-H N 8.14 ambi=1 { N:119.7 } ::sumAvg: 4.505 atom: 849 84D-H N 8.14 ambi=1 { N:119.7 } atom: 842 83Q-HE21 E2 7.1 ambi=2 { NE2:110.2 } :: atom: 849 84D-H N 8.14 ambi=1 { N:119.7 } atom: 843 83Q-HE22 E2 6.81 ambi=2 { NE2:110.2 } ::sumAvg: 4.505 atom: 849 84D-H N 8.14 ambi=1 { N:119.7 } atom: 882 87L-HG G 1.66 ambi=1 { CG:26.7 } ::sumAvg: 4.63 atom: 878 87L-H N 7.78 ambi=1 { N:118.4 } atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } ::sumAvg: 4.685 atom: 878 87L-H N 7.78 ambi=1 { N:118.4 } atom: 913 90E-H N 8.3 ambi=1 { N:116.7 } ::sumAvg: 4.74 atom: 913 90E-H N 8.3 ambi=1 { N:116.7 } atom: 878 87L-H N 7.78 ambi=1 { N:118.4 } ::sumAvg: 4.74 atom: 907 89A-H N 8 ambi=1 { N:122.4 } atom: 883 87L-HD1 D1 0.87 ambi=2 { CD1:24.5 } :: atom: 907 89A-H N 8 ambi=1 { N:122.4 } atom: 884 87L-HD2 D2 0.86 ambi=2 { CD2:24.1 } ::sumAvg: 4.57 atom: 913 90E-H N 8.3 ambi=1 { N:116.7 } atom: 928 92L-H N 7.64 ambi=1 { N:121.2 } ::sumAvg: 4.255 atom: 941 93E-H N 8.29 ambi=1 { N:120.2 } atom: 925 91G-HA3 A 3.87 ambi=2 { CA:45.5 } :: atom: 941 93E-H N 8.29 ambi=1 { N:120.2 } atom: 923 91G-HA2 A 4.07 ambi=2 { CA:45.5 } ::sumAvg: 4.51 atom: 941 93E-H N 8.29 ambi=1 { N:120.2 } atom: 924 91G-H N 7.71 ambi=1 { N:106 } ::sumAvg: 4.675 atom: 928 92L-H N 7.64 ambi=1 { N:121.2 } atom: 944 93E-QB B 1.895 ambi=2 { CB:29.7 } ::sumAvg: 4.98 atom: 958 95H-H N 8.17 ambi=1 { N:125.4 } atom: 942 93E-HA A 4.13 ambi=1 { CA:56.7 } ::sumAvg: 4.67 atom: 958 95H-H N 8.17 ambi=1 { N:125.4 } atom: 944 93E-QB B 1.895 ambi=2 { CB:29.7 } ::sumAvg: 4.845 # Missing interactons for c_aro.peaks atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } atom: 44 6P-HA A 3.94 ambi=1 { CA:64.9 } ::sumAvg: 4.945 atom: 61 7F-QE E 7.37 ambi=3 { CE1:131.2 } atom: 56 7F-HA A 4.22 ambi=1 { CA:60.8 } ::sumAvg: 4.61 atom: 61 7F-QE E 7.37 ambi=3 { CE1:131.2 } atom: 57 7F-HB2 B 3.05 ambi=2 { CB:38.3 } :: atom: 61 7F-QE E 7.37 ambi=3 { CE1:131.2 } atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } ::sumAvg: 4.435 atom: 97 10Y-QD D 7.05 ambi=3 { CD1:133.3 } atom: 57 7F-HB2 B 3.05 ambi=2 { CB:38.3 } :: atom: 97 10Y-QD D 7.05 ambi=3 { CD1:133.3 } atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } ::sumAvg: 4.955 atom: 59 7F-QD D 7.33 ambi=3 { CD1:131.9 } atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } :: atom: 59 7F-QD D 7.33 ambi=3 { CD1:131.9 } atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } ::sumAvg: 4.035 atom: 59 7F-QD D 7.33 ambi=3 { CD1:131.9 } atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } ::sumAvg: 3.97 atom: 59 7F-QD D 7.33 ambi=3 { CD1:131.9 } atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } ::sumAvg: 4.195 atom: 59 7F-QD D 7.33 ambi=3 { CD1:131.9 } atom: 106 11A-H N 8.5 ambi=1 { N:121.7 } ::sumAvg: 4.76 atom: 59 7F-QD D 7.33 ambi=3 { CD1:131.9 } atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } ::sumAvg: 3.935 atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } atom: 59 7F-QD D 7.33 ambi=3 { CD1:131.9 } ::sumAvg: 3.935 atom: 63 7F-HZ Z 7.32 ambi=1 { CZ:129.5 } atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } ::sumAvg: 4.09 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 94 10Y-HA A 3.8 ambi=1 { CA:61.4 } ::sumAvg: 3.095 atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } atom: 94 10Y-HA A 3.8 ambi=1 { CA:61.4 } ::sumAvg: 4.955 atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } ::sumAvg: 4.51 atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } atom: 107 11A-HA A 3.7 ambi=1 { CA:54.4 } ::sumAvg: 4.74 atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } atom: 389 39Y-QD D 7.25 ambi=3 { CD1:133.4 } ::sumAvg: 4.855 atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } ::sumAvg: 3.81 atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } atom: 410 41G-HA3 A 3.88 ambi=2 { CA:46.4 } :: atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } atom: 408 41G-HA2 A 3.41 ambi=2 { CA:46.4 } ::sumAvg: 3.68 atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } ::sumAvg: 2.795 atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } atom: 453 45H-HE1 E1 7.95 ambi=1 { CE1:139.2 } ::sumAvg: 4.68 atom: 453 45H-HE1 E1 7.95 ambi=1 { CE1:139.2 } atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } ::sumAvg: 4.68 atom: 97 10Y-QD D 7.05 ambi=3 { CD1:133.3 } atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } ::sumAvg: 4.72 atom: 97 10Y-QD D 7.05 ambi=3 { CD1:133.3 } atom: 410 41G-HA3 A 3.88 ambi=2 { CA:46.4 } :: atom: 97 10Y-QD D 7.05 ambi=3 { CD1:133.3 } atom: 408 41G-HA2 A 3.41 ambi=2 { CA:46.4 } ::sumAvg: 4.855 atom: 97 10Y-QD D 7.05 ambi=3 { CD1:133.3 } atom: 416 42T-HG1 G1 5.58 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.64 atom: 97 10Y-QD D 7.05 ambi=3 { CD1:133.3 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } ::sumAvg: 4.075 atom: 97 10Y-QD D 7.05 ambi=3 { CD1:133.3 } atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 97 10Y-QD D 7.05 ambi=3 { CD1:133.3 } atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } ::sumAvg: 4.2 atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } ::sumAvg: 4.76 atom: 198 19H-HD2 D2 7.24 ambi=1 { CD2:120 } atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } ::sumAvg: 4.575 atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } atom: 116 12L-HG G 1.42 ambi=1 { CG:26.4 } ::sumAvg: 4.075 atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } atom: 125 13A-H N 8.01 ambi=1 { N:123 } ::sumAvg: 4.15 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 125 13A-H N 8.01 ambi=1 { N:123 } ::sumAvg: 4.97 atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 3.685 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 2.74 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 131 14Q-H N 7.66 ambi=1 { N:114 } ::sumAvg: 4.17 atom: 292 29F-HZ Z 6.72 ambi=1 { CZ:128.8 } atom: 131 14Q-H N 7.66 ambi=1 { N:114 } ::sumAvg: 3.64 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 132 14Q-HA A 3.91 ambi=1 { CA:58.2 } ::sumAvg: 4.24 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 135 14Q-HG2 G 1.75 ambi=2 { CG:32.2 } :: atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 136 14Q-HG3 G 2.01 ambi=2 { CG:32.2 } ::sumAvg: 3.365 atom: 453 45H-HE1 E1 7.95 ambi=1 { CE1:139.2 } atom: 135 14Q-HG2 G 1.75 ambi=2 { CG:32.2 } :: atom: 453 45H-HE1 E1 7.95 ambi=1 { CE1:139.2 } atom: 136 14Q-HG3 G 2.01 ambi=2 { CG:32.2 } ::sumAvg: 4.375 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } :: atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } ::sumAvg: 4.54 atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } atom: 154 16H-H N 8.22 ambi=1 { N:119.1 } ::sumAvg: 3.53 atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } ::sumAvg: 4.23 atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } ::sumAvg: 4.23 atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } atom: 235 24R-HB2 B 0.9 ambi=2 { CB:29.1 } :: atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } atom: 236 24R-HB3 B 1.13 ambi=2 { CB:29.1 } ::sumAvg: 4.09 atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } ::sumAvg: 3.855 atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } ::sumAvg: 4.59 atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } atom: 273 28L-HB2 B 1.67 ambi=2 { CB:43.1 } :: atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } ::sumAvg: 4.44 atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } atom: 212 21N-HB2 B 2.65 ambi=2 { CB:37 } :: atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } atom: 213 21N-HB3 B 3.06 ambi=2 { CB:37 } ::sumAvg: 4.915 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 167 17L-QB B 1.72 ambi=2 { CB:41.4 } ::sumAvg: 4.835 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 169 17L-HG G 1.65 ambi=1 { CG:26.5 } ::sumAvg: 3.28 atom: 292 29F-HZ Z 6.72 ambi=1 { CZ:128.8 } atom: 169 17L-HG G 1.65 ambi=1 { CG:26.5 } ::sumAvg: 4.125 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 170 17L-HD1 D1 0.97 ambi=2 { CD1:24.9 } :: atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 171 17L-HD2 D2 0.92 ambi=2 { CD2:24.4 } ::sumAvg: 2.16 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } ::sumAvg: 2.695 atom: 288 29F-QD D 7 ambi=3 { CD1:130 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } ::sumAvg: 4.75 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } ::sumAvg: 4.695 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 253 26L-HA A 3.8 ambi=1 { CA:58.3 } ::sumAvg: 4.565 atom: 288 29F-QD D 7 ambi=3 { CD1:130 } atom: 254 26L-HB2 B 1.47 ambi=2 { CB:41.8 } :: atom: 288 29F-QD D 7 ambi=3 { CD1:130 } atom: 255 26L-HB3 B 1.86 ambi=2 { CB:41.8 } ::sumAvg: 4.79 atom: 288 29F-QD D 7 ambi=3 { CD1:130 } atom: 252 26L-H N 8.42 ambi=1 { N:116.5 } ::sumAvg: 4.515 atom: 288 29F-QD D 7 ambi=3 { CD1:130 } atom: 284 29F-H N 8.69 ambi=1 { N:119 } ::sumAvg: 3.36 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 284 29F-H N 8.69 ambi=1 { N:119 } ::sumAvg: 4.89 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } ::sumAvg: 4.425 atom: 288 29F-QD D 7 ambi=3 { CD1:130 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } ::sumAvg: 4.48 atom: 288 29F-QD D 7 ambi=3 { CD1:130 } atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } ::sumAvg: 3.05 atom: 288 29F-QD D 7 ambi=3 { CD1:130 } atom: 416 42T-HG1 G1 5.58 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.895 atom: 288 29F-QD D 7 ambi=3 { CD1:130 } atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 288 29F-QD D 7 ambi=3 { CD1:130 } atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } ::sumAvg: 4.11 atom: 288 29F-QD D 7 ambi=3 { CD1:130 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } ::sumAvg: 4.46 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } :: atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } ::sumAvg: 3.575 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } ::sumAvg: 3.84 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } ::sumAvg: 4.675 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } ::sumAvg: 4.905 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 460 46L-HA A 3.66 ambi=1 { CA:57.1 } ::sumAvg: 4.035 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } :: atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } ::sumAvg: 4.995 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } :: atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } ::sumAvg: 4.655 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 495 49L-HB2 B 1.61 ambi=2 { CB:41 } :: atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 496 49L-HB3 B 1.86 ambi=2 { CB:41 } ::sumAvg: 3.515 atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } :: atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } ::sumAvg: 2.655 atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } atom: 333 33V-HA A 3.59 ambi=1 { CA:65.8 } ::sumAvg: 3.92 atom: 389 39Y-QD D 7.25 ambi=3 { CD1:133.4 } atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } :: atom: 389 39Y-QD D 7.25 ambi=3 { CD1:133.4 } atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } ::sumAvg: 4.205 atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } atom: 378 38D-H N 8.63 ambi=1 { N:113.7 } ::sumAvg: 4.515 atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 385 39Y-H N 8.11 ambi=1 { N:123.7 } ::sumAvg: 4.875 atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } :: atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } ::sumAvg: 4.475 atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } ::sumAvg: 4.245 atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } atom: 416 42T-HG1 G1 5.58 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.04 atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } atom: 398 40V-H N 7.88 ambi=1 { N:128.1 } ::sumAvg: 4.79 atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 400 40V-HB B 1.87 ambi=1 { CB:32.5 } ::sumAvg: 4.935 atom: 452 45H-HD2 D2 7.82 ambi=1 { CD2:120.3 } atom: 410 41G-HA3 A 3.88 ambi=2 { CA:46.4 } :: atom: 452 45H-HD2 D2 7.82 ambi=1 { CD2:120.3 } atom: 408 41G-HA2 A 3.41 ambi=2 { CA:46.4 } ::sumAvg: 3.825 atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } ::sumAvg: 3.31 atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } ::sumAvg: 4.05 atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 413 42T-H N 7.15 ambi=1 { N:111.9 } ::sumAvg: 4.06 atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } ::sumAvg: 4.44 atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } atom: 423 43Y-HA A 3.46 ambi=1 { CA:64.1 } ::sumAvg: 4.54 atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } :: atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } ::sumAvg: 4.435 atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } :: atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } ::sumAvg: 4.725 atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } ::sumAvg: 3.02 atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } ::sumAvg: 4.5 atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } ::sumAvg: 4.585 atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 652 65Q-H N 8.1 ambi=1 { N:119.6 } ::sumAvg: 4.695 atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 654 65Q-HB2 B 2.33 ambi=2 { CB:28.5 } :: atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 655 65Q-HB3 B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 3.075 atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 656 65Q-HG2 G 2.42 ambi=2 { CG:33.9 } :: atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 657 65Q-HG3 G 2.5 ambi=2 { CG:33.9 } ::sumAvg: 4.95 atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } :: atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } ::sumAvg: 3.11 atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } atom: 666 66G-H N 8.43 ambi=1 { N:108.2 } ::sumAvg: 3.37 atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } ::sumAvg: 3.985 atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } atom: 666 66G-H N 8.43 ambi=1 { N:108.2 } ::sumAvg: 4.38 atom: 452 45H-HD2 D2 7.82 ambi=1 { CD2:120.3 } atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } ::sumAvg: 4.23 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } ::sumAvg: 4.56 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } ::sumAvg: 4.685 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } ::sumAvg: 2.995 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } ::sumAvg: 2.16 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 437 44Y-HB2 B 2.54 ambi=2 { CB:38.8 } :: atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } ::sumAvg: 4.71 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 437 44Y-HB2 B 2.54 ambi=2 { CB:38.8 } :: atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } ::sumAvg: 4.44 atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } ::sumAvg: 4.865 atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } atom: 481 48K-HG2 G 0.85 ambi=2 { CG:23.4 } :: atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } atom: 482 48K-HG3 G 1.17 ambi=2 { CG:23.4 } ::sumAvg: 3.725 atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } atom: 483 48K-HD2 D 1.36 ambi=2 { CD:28.2 } :: atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } atom: 484 48K-HD3 D 1.51 ambi=2 { CD:28.2 } ::sumAvg: 4.53 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } ::sumAvg: 3.835 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } ::sumAvg: 3.125 atom: 452 45H-HD2 D2 7.82 ambi=1 { CD2:120.3 } atom: 441 44Y-QE E 6.54 ambi=3 { CE1:118.3 } ::sumAvg: 4.91 atom: 441 44Y-QE E 6.54 ambi=3 { CE1:118.3 } atom: 824 82L-HA A 3.89 ambi=1 { CA:57.9 } ::sumAvg: 4.135 atom: 453 45H-HE1 E1 7.95 ambi=1 { CE1:139.2 } atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 453 45H-HE1 E1 7.95 ambi=1 { CE1:139.2 } atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } ::sumAvg: 4.73 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } :: atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } ::sumAvg: 3.835 atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } atom: 473 47G-H N 8.44 ambi=1 { N:106.5 } ::sumAvg: 4.19 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 473 47G-H N 8.44 ambi=1 { N:106.5 } ::sumAvg: 4.81 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 477 48K-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 3.465 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 485 48K-HE2 E 2.55 ambi=2 { CE:41.8 } :: atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 486 48K-HE3 E 2.81 ambi=2 { CE:41.8 } ::sumAvg: 4.665 atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } atom: 497 49L-HG G 1.6 ambi=1 { CG:27 } ::sumAvg: 4.785 atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } atom: 506 50Y-H N 8.61 ambi=1 { N:119 } ::sumAvg: 3.43 atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } atom: 519 51E-H N 8.41 ambi=1 { N:118.6 } ::sumAvg: 4.6 atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } atom: 562 55R-H N 8.42 ambi=1 { N:120.8 } ::sumAvg: 4.565 atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } atom: 566 55R-HG2 G 1.55 ambi=2 { CG:24.6 } :: atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } atom: 567 55R-HG3 G 1.72 ambi=2 { CG:24.6 } ::sumAvg: 2.93 atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } atom: 570 55R-HE E 7.41 ambi=1 { NE:83.1 } ::sumAvg: 4.655 atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } atom: 599 59A-H N 8.11 ambi=1 { N:124.7 } ::sumAvg: 3.885 atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } atom: 625 62T-H N 8.04 ambi=1 { N:119.8 } ::sumAvg: 4.545 atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } ::sumAvg: 3.205 atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } atom: 566 55R-HG2 G 1.55 ambi=2 { CG:24.6 } :: atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } atom: 567 55R-HG3 G 1.72 ambi=2 { CG:24.6 } ::sumAvg: 3.84 atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } atom: 570 55R-HE E 7.41 ambi=1 { NE:83.1 } ::sumAvg: 4.945 atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } ::sumAvg: 4.89 atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } ::sumAvg: 3.84 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 601 59A-HB B 1.51 ambi=1 { CB:19.2 } ::sumAvg: 3.355 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 605 60I-H N 8.23 ambi=1 { N:117.6 } ::sumAvg: 4.21 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 605 60I-H N 8.23 ambi=1 { N:117.6 } ::sumAvg: 4.86 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 606 60I-HA A 3.52 ambi=1 { CA:66.8 } ::sumAvg: 2.545 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 611 60I-HD1 D1 0.76 ambi=1 { CD1:14.1 } ::sumAvg: 2.895 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 611 60I-HD1 D1 0.76 ambi=1 { CD1:14.1 } ::sumAvg: 3.655 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } ::sumAvg: 4.39 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } ::sumAvg: 4.97 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 628 62T-HG2 G2 1.35 ambi=1 { CG2:22.3 } ::sumAvg: 4.02 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 633 63Y-H N 8.97 ambi=1 { N:121.7 } ::sumAvg: 3.335 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 633 63Y-H N 8.97 ambi=1 { N:121.7 } ::sumAvg: 4.76 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } ::sumAvg: 4.385 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 646 64A-H N 8.69 ambi=1 { N:119.4 } ::sumAvg: 4.435 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } ::sumAvg: 4.4 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 858 85A-HB B 0.78 ambi=1 { CB:16.2 } ::sumAvg: 3.29 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 862 86K-H N 8.07 ambi=1 { N:120.2 } ::sumAvg: 3.655 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 866 86K-HG2 G 1.41 ambi=2 { CG:25.4 } :: atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 867 86K-HG3 G 1.63 ambi=2 { CG:25.4 } ::sumAvg: 4.41 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 868 86K-QD D 1.59 ambi=2 { CD:30.7 } ::sumAvg: 4.42 atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } ::sumAvg: 3.585 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 824 82L-HA A 3.89 ambi=1 { CA:57.9 } ::sumAvg: 3.985 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 858 85A-HB B 0.78 ambi=1 { CB:16.2 } ::sumAvg: 2.83 atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 864 86K-HB2 B 1.7 ambi=2 { CB:33.3 } :: atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } ::sumAvg: 4.435 # Missing interactons for c_ali.peaks atom: 1 1E-HA A 4.33 ambi=1 { CA:56.2 } atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } ::sumAvg: 4.565 atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } atom: 1 1E-HA A 4.33 ambi=1 { CA:56.2 } ::sumAvg: 4.565 atom: 1 1E-HA A 4.33 ambi=1 { CA:56.2 } atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } ::sumAvg: 4.355 atom: 2 1E-HB2 B 1.88 ambi=2 { CB:30.1 } atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } :: atom: 3 1E-HB3 B 2.04 ambi=2 { CB:30.1 } atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } ::sumAvg: 4.86 atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } atom: 2 1E-HB2 B 1.88 ambi=2 { CB:30.1 } :: atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } atom: 3 1E-HB3 B 2.04 ambi=2 { CB:30.1 } ::sumAvg: 4.86 atom: 2 1E-HB2 B 1.88 ambi=2 { CB:30.1 } atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } :: atom: 3 1E-HB3 B 2.04 ambi=2 { CB:30.1 } atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } ::sumAvg: 4.4 atom: 4 1E-QG G 2.23 ambi=2 { CG:36 } atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } ::sumAvg: 4.88 atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } atom: 4 1E-QG G 2.23 ambi=2 { CG:36 } ::sumAvg: 4.88 atom: 4 1E-QG G 2.23 ambi=2 { CG:36 } atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } ::sumAvg: 4.42 atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } atom: 4 1E-QG G 2.23 ambi=2 { CG:36 } ::sumAvg: 4.42 atom: 39 5D-HB2 B 2.84 ambi=2 { CB:41.7 } atom: 9 2D-H N 8.56 ambi=1 { N:123 } :: atom: 40 5D-HB3 B 2.82 ambi=2 { CB:41.7 } atom: 9 2D-H N 8.56 ambi=1 { N:123 } ::sumAvg: 4.665 atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } atom: 9 2D-H N 8.56 ambi=1 { N:123 } ::sumAvg: 3.85 atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } ::sumAvg: 4.515 atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } ::sumAvg: 4.515 atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } atom: 19 3P-QG G 2 ambi=2 { CG:27.1 } ::sumAvg: 4.005 atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } atom: 27 4E-H N 8.41 ambi=1 { N:118.3 } ::sumAvg: 3.9 atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } ::sumAvg: 4.225 atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } atom: 10 2D-HA A 4.85 ambi=1 { CA:52.2 } ::sumAvg: 4.225 atom: 11 2D-HB2 B 2.52 ambi=2 { CB:40.9 } atom: 19 3P-QG G 2 ambi=2 { CG:27.1 } :: atom: 12 2D-HB3 B 2.76 ambi=2 { CB:40.9 } atom: 19 3P-QG G 2 ambi=2 { CG:27.1 } ::sumAvg: 4.56 atom: 19 3P-QG G 2 ambi=2 { CG:27.1 } atom: 11 2D-HB2 B 2.52 ambi=2 { CB:40.9 } :: atom: 19 3P-QG G 2 ambi=2 { CG:27.1 } atom: 12 2D-HB3 B 2.76 ambi=2 { CB:40.9 } ::sumAvg: 4.56 atom: 29 4E-HB2 B 1.89 ambi=2 { CB:30.1 } atom: 11 2D-HB2 B 2.52 ambi=2 { CB:40.9 } :: atom: 30 4E-HB3 B 2.06 ambi=2 { CB:30.1 } atom: 11 2D-HB2 B 2.52 ambi=2 { CB:40.9 } :: atom: 29 4E-HB2 B 1.89 ambi=2 { CB:30.1 } atom: 12 2D-HB3 B 2.76 ambi=2 { CB:40.9 } :: atom: 30 4E-HB3 B 2.06 ambi=2 { CB:30.1 } atom: 12 2D-HB3 B 2.76 ambi=2 { CB:40.9 } ::sumAvg: 3.35 atom: 12 2D-HB3 B 2.76 ambi=2 { CB:40.9 } atom: 31 4E-HG2 G 2.19 ambi=2 { CG:36.2 } :: atom: 12 2D-HB3 B 2.76 ambi=2 { CB:40.9 } atom: 32 4E-HG3 G 2.29 ambi=2 { CG:36.2 } ::sumAvg: 3.8 atom: 31 4E-HG2 G 2.19 ambi=2 { CG:36.2 } atom: 12 2D-HB3 B 2.76 ambi=2 { CB:40.9 } :: atom: 32 4E-HG3 G 2.29 ambi=2 { CG:36.2 } atom: 12 2D-HB3 B 2.76 ambi=2 { CB:40.9 } ::sumAvg: 3.8 atom: 39 5D-HB2 B 2.84 ambi=2 { CB:41.7 } atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } :: atom: 40 5D-HB3 B 2.82 ambi=2 { CB:41.7 } atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } ::sumAvg: 4.46 atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } atom: 78 9R-H N 7.3 ambi=1 { N:121.4 } ::sumAvg: 4.115 atom: 79 9R-HA A 3.84 ambi=1 { CA:59.7 } atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } ::sumAvg: 4.595 atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } atom: 80 9R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } atom: 81 9R-HB3 B 1.83 ambi=2 { CB:30.4 } ::sumAvg: 3.925 atom: 80 9R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } :: atom: 81 9R-HB3 B 1.83 ambi=2 { CB:30.4 } atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } ::sumAvg: 3.925 atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } atom: 84 9R-HD2 D 3.04 ambi=2 { CD:43.7 } :: atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } atom: 85 9R-HD3 D 3.19 ambi=2 { CD:43.7 } ::sumAvg: 4.75 atom: 84 9R-HD2 D 3.04 ambi=2 { CD:43.7 } atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } :: atom: 85 9R-HD3 D 3.19 ambi=2 { CD:43.7 } atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } ::sumAvg: 4.75 atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } atom: 114 12L-QB B 1.615 ambi=2 { CB:41.5 } ::sumAvg: 4.99 atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } atom: 117 12L-HD1 D1 0.73 ambi=2 { CD1:23.3 } :: atom: 16 3P-HA A 4.38 ambi=1 { CA:63.5 } atom: 118 12L-HD2 D2 0.83 ambi=2 { CD2:24.5 } ::sumAvg: 4.28 atom: 18 3P-HB3 B 2.29 ambi=2 { CB:32.1 } atom: 80 9R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 18 3P-HB3 B 2.29 ambi=2 { CB:32.1 } atom: 81 9R-HB3 B 1.83 ambi=2 { CB:30.4 } ::sumAvg: 4.025 atom: 80 9R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 18 3P-HB3 B 2.29 ambi=2 { CB:32.1 } :: atom: 81 9R-HB3 B 1.83 ambi=2 { CB:30.4 } atom: 18 3P-HB3 B 2.29 ambi=2 { CB:32.1 } ::sumAvg: 4.025 atom: 19 3P-QG G 2 ambi=2 { CG:27.1 } atom: 28 4E-HA A 4.25 ambi=1 { CA:55.9 } ::sumAvg: 4.985 atom: 28 4E-HA A 4.25 ambi=1 { CA:55.9 } atom: 19 3P-QG G 2 ambi=2 { CG:27.1 } ::sumAvg: 4.985 atom: 19 3P-QG G 2 ambi=2 { CG:27.1 } atom: 117 12L-HD1 D1 0.73 ambi=2 { CD1:23.3 } :: atom: 19 3P-QG G 2 ambi=2 { CG:27.1 } atom: 118 12L-HD2 D2 0.83 ambi=2 { CD2:24.5 } ::sumAvg: 4.03 atom: 31 4E-HG2 G 2.19 ambi=2 { CG:36.2 } atom: 21 3P-HD2 D 3.78 ambi=2 { CD:50.7 } :: atom: 32 4E-HG3 G 2.29 ambi=2 { CG:36.2 } atom: 21 3P-HD2 D 3.78 ambi=2 { CD:50.7 } :: atom: 31 4E-HG2 G 2.19 ambi=2 { CG:36.2 } atom: 22 3P-HD3 D 3.86 ambi=2 { CD:50.7 } :: atom: 32 4E-HG3 G 2.29 ambi=2 { CG:36.2 } atom: 22 3P-HD3 D 3.86 ambi=2 { CD:50.7 } ::sumAvg: 3.905 atom: 21 3P-HD2 D 3.78 ambi=2 { CD:50.7 } atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } :: atom: 22 3P-HD3 D 3.86 ambi=2 { CD:50.7 } atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } ::sumAvg: 4.03 atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } atom: 21 3P-HD2 D 3.78 ambi=2 { CD:50.7 } :: atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } atom: 22 3P-HD3 D 3.86 ambi=2 { CD:50.7 } ::sumAvg: 4.03 atom: 72 8T-HB B 4.25 ambi=1 { CB:68.3 } atom: 27 4E-H N 8.41 ambi=1 { N:118.3 } ::sumAvg: 4.94 atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } atom: 27 4E-H N 8.41 ambi=1 { N:118.3 } ::sumAvg: 4.785 atom: 84 9R-HD2 D 3.04 ambi=2 { CD:43.7 } atom: 27 4E-H N 8.41 ambi=1 { N:118.3 } :: atom: 85 9R-HD3 D 3.19 ambi=2 { CD:43.7 } atom: 27 4E-H N 8.41 ambi=1 { N:118.3 } ::sumAvg: 4.97 atom: 28 4E-HA A 4.25 ambi=1 { CA:55.9 } atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } ::sumAvg: 4.86 atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } atom: 28 4E-HA A 4.25 ambi=1 { CA:55.9 } ::sumAvg: 4.86 atom: 28 4E-HA A 4.25 ambi=1 { CA:55.9 } atom: 80 9R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 28 4E-HA A 4.25 ambi=1 { CA:55.9 } atom: 81 9R-HB3 B 1.83 ambi=2 { CB:30.4 } ::sumAvg: 4.38 atom: 29 4E-HB2 B 1.89 ambi=2 { CB:30.1 } atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } :: atom: 30 4E-HB3 B 2.06 ambi=2 { CB:30.1 } atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } ::sumAvg: 4.45 atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } atom: 29 4E-HB2 B 1.89 ambi=2 { CB:30.1 } :: atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } atom: 30 4E-HB3 B 2.06 ambi=2 { CB:30.1 } ::sumAvg: 4.45 atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } atom: 37 5D-H N 8.03 ambi=1 { N:123.7 } ::sumAvg: 2.835 atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } atom: 37 5D-H N 8.03 ambi=1 { N:123.7 } ::sumAvg: 4.24 atom: 84 9R-HD2 D 3.04 ambi=2 { CD:43.7 } atom: 37 5D-H N 8.03 ambi=1 { N:123.7 } :: atom: 85 9R-HD3 D 3.19 ambi=2 { CD:43.7 } atom: 37 5D-H N 8.03 ambi=1 { N:123.7 } ::sumAvg: 4.215 atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } atom: 44 6P-HA A 3.94 ambi=1 { CA:64.9 } ::sumAvg: 4.445 atom: 44 6P-HA A 3.94 ambi=1 { CA:64.9 } atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } ::sumAvg: 4.445 atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } atom: 47 6P-HG2 G 1.77 ambi=2 { CG:27.3 } :: atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } atom: 48 6P-HG3 G 1.84 ambi=2 { CG:27.3 } ::sumAvg: 4.305 atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } atom: 55 7F-H N 8.13 ambi=1 { N:117.2 } ::sumAvg: 4.635 atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } ::sumAvg: 4.845 atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } atom: 72 8T-HB B 4.25 ambi=1 { CB:68.3 } ::sumAvg: 4.98 atom: 72 8T-HB B 4.25 ambi=1 { CB:68.3 } atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } ::sumAvg: 4.98 atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } atom: 84 9R-HD2 D 3.04 ambi=2 { CD:43.7 } :: atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } atom: 85 9R-HD3 D 3.19 ambi=2 { CD:43.7 } ::sumAvg: 4.585 atom: 84 9R-HD2 D 3.04 ambi=2 { CD:43.7 } atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } :: atom: 85 9R-HD3 D 3.19 ambi=2 { CD:43.7 } atom: 38 5D-HA A 4.73 ambi=1 { CA:52.6 } ::sumAvg: 4.585 atom: 39 5D-HB2 B 2.84 ambi=2 { CB:41.7 } atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } :: atom: 40 5D-HB3 B 2.82 ambi=2 { CB:41.7 } atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } ::sumAvg: 4.455 atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } atom: 39 5D-HB2 B 2.84 ambi=2 { CB:41.7 } :: atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } atom: 40 5D-HB3 B 2.82 ambi=2 { CB:41.7 } ::sumAvg: 4.455 atom: 39 5D-HB2 B 2.84 ambi=2 { CB:41.7 } atom: 71 8T-HA A 3.71 ambi=1 { CA:66.2 } :: atom: 40 5D-HB3 B 2.82 ambi=2 { CB:41.7 } atom: 71 8T-HA A 3.71 ambi=1 { CA:66.2 } ::sumAvg: 4.945 atom: 71 8T-HA A 3.71 ambi=1 { CA:66.2 } atom: 39 5D-HB2 B 2.84 ambi=2 { CB:41.7 } :: atom: 71 8T-HA A 3.71 ambi=1 { CA:66.2 } atom: 40 5D-HB3 B 2.82 ambi=2 { CB:41.7 } ::sumAvg: 4.945 atom: 39 5D-HB2 B 2.84 ambi=2 { CB:41.7 } atom: 78 9R-H N 7.3 ambi=1 { N:121.4 } :: atom: 40 5D-HB3 B 2.82 ambi=2 { CB:41.7 } atom: 78 9R-H N 7.3 ambi=1 { N:121.4 } ::sumAvg: 4.485 atom: 44 6P-HA A 3.94 ambi=1 { CA:64.9 } atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } :: atom: 44 6P-HA A 3.94 ambi=1 { CA:64.9 } atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } ::sumAvg: 4.655 atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } atom: 44 6P-HA A 3.94 ambi=1 { CA:64.9 } :: atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } atom: 44 6P-HA A 3.94 ambi=1 { CA:64.9 } ::sumAvg: 4.655 atom: 44 6P-HA A 3.94 ambi=1 { CA:64.9 } atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } ::sumAvg: 4.525 atom: 44 6P-HA A 3.94 ambi=1 { CA:64.9 } atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } ::sumAvg: 4.405 atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } atom: 44 6P-HA A 3.94 ambi=1 { CA:64.9 } ::sumAvg: 4.405 atom: 44 6P-HA A 3.94 ambi=1 { CA:64.9 } atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } ::sumAvg: 4.945 atom: 45 6P-HB2 B 0.94 ambi=2 { CB:31 } atom: 56 7F-HA A 4.22 ambi=1 { CA:60.8 } :: atom: 46 6P-HB3 B 1.61 ambi=2 { CB:31 } atom: 56 7F-HA A 4.22 ambi=1 { CA:60.8 } ::sumAvg: 3.98 atom: 45 6P-HB2 B 0.94 ambi=2 { CB:31 } atom: 57 7F-HB2 B 3.05 ambi=2 { CB:38.3 } :: atom: 45 6P-HB2 B 0.94 ambi=2 { CB:31 } atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } :: atom: 46 6P-HB3 B 1.61 ambi=2 { CB:31 } atom: 57 7F-HB2 B 3.05 ambi=2 { CB:38.3 } :: atom: 46 6P-HB3 B 1.61 ambi=2 { CB:31 } atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } ::sumAvg: 4.19 atom: 57 7F-HB2 B 3.05 ambi=2 { CB:38.3 } atom: 45 6P-HB2 B 0.94 ambi=2 { CB:31 } :: atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } atom: 45 6P-HB2 B 0.94 ambi=2 { CB:31 } :: atom: 57 7F-HB2 B 3.05 ambi=2 { CB:38.3 } atom: 46 6P-HB3 B 1.61 ambi=2 { CB:31 } :: atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } atom: 46 6P-HB3 B 1.61 ambi=2 { CB:31 } ::sumAvg: 4.19 atom: 45 6P-HB2 B 0.94 ambi=2 { CB:31 } atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } :: atom: 45 6P-HB2 B 0.94 ambi=2 { CB:31 } atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } :: atom: 46 6P-HB3 B 1.61 ambi=2 { CB:31 } atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } :: atom: 46 6P-HB3 B 1.61 ambi=2 { CB:31 } atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } ::sumAvg: 4.195 atom: 45 6P-HB2 B 0.94 ambi=2 { CB:31 } atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } :: atom: 45 6P-HB2 B 0.94 ambi=2 { CB:31 } atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } :: atom: 46 6P-HB3 B 1.61 ambi=2 { CB:31 } atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } :: atom: 46 6P-HB3 B 1.61 ambi=2 { CB:31 } atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } ::sumAvg: 4.11 atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 45 6P-HB2 B 0.94 ambi=2 { CB:31 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 45 6P-HB2 B 0.94 ambi=2 { CB:31 } :: atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 46 6P-HB3 B 1.61 ambi=2 { CB:31 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 46 6P-HB3 B 1.61 ambi=2 { CB:31 } ::sumAvg: 4.11 atom: 45 6P-HB2 B 0.94 ambi=2 { CB:31 } atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } :: atom: 46 6P-HB3 B 1.61 ambi=2 { CB:31 } atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } ::sumAvg: 3.175 atom: 47 6P-HG2 G 1.77 ambi=2 { CG:27.3 } atom: 57 7F-HB2 B 3.05 ambi=2 { CB:38.3 } :: atom: 47 6P-HG2 G 1.77 ambi=2 { CG:27.3 } atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } :: atom: 48 6P-HG3 G 1.84 ambi=2 { CG:27.3 } atom: 57 7F-HB2 B 3.05 ambi=2 { CB:38.3 } :: atom: 48 6P-HG3 G 1.84 ambi=2 { CG:27.3 } atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } ::sumAvg: 4.705 atom: 57 7F-HB2 B 3.05 ambi=2 { CB:38.3 } atom: 47 6P-HG2 G 1.77 ambi=2 { CG:27.3 } :: atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } atom: 47 6P-HG2 G 1.77 ambi=2 { CG:27.3 } :: atom: 57 7F-HB2 B 3.05 ambi=2 { CB:38.3 } atom: 48 6P-HG3 G 1.84 ambi=2 { CG:27.3 } :: atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } atom: 48 6P-HG3 G 1.84 ambi=2 { CG:27.3 } ::sumAvg: 4.705 atom: 47 6P-HG2 G 1.77 ambi=2 { CG:27.3 } atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } :: atom: 47 6P-HG2 G 1.77 ambi=2 { CG:27.3 } atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } :: atom: 48 6P-HG3 G 1.84 ambi=2 { CG:27.3 } atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } :: atom: 48 6P-HG3 G 1.84 ambi=2 { CG:27.3 } atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } ::sumAvg: 4.575 atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } atom: 47 6P-HG2 G 1.77 ambi=2 { CG:27.3 } :: atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } atom: 47 6P-HG2 G 1.77 ambi=2 { CG:27.3 } :: atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } atom: 48 6P-HG3 G 1.84 ambi=2 { CG:27.3 } :: atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } atom: 48 6P-HG3 G 1.84 ambi=2 { CG:27.3 } ::sumAvg: 4.575 atom: 47 6P-HG2 G 1.77 ambi=2 { CG:27.3 } atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } :: atom: 48 6P-HG3 G 1.84 ambi=2 { CG:27.3 } atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } ::sumAvg: 4.62 atom: 49 6P-HD2 D 3.75 ambi=2 { CD:50.8 } atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } :: atom: 50 6P-HD3 D 3.88 ambi=2 { CD:50.8 } atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } ::sumAvg: 4.67 atom: 49 6P-HD2 D 3.75 ambi=2 { CD:50.8 } atom: 84 9R-HD2 D 3.04 ambi=2 { CD:43.7 } :: atom: 49 6P-HD2 D 3.75 ambi=2 { CD:50.8 } atom: 85 9R-HD3 D 3.19 ambi=2 { CD:43.7 } :: atom: 50 6P-HD3 D 3.88 ambi=2 { CD:50.8 } atom: 84 9R-HD2 D 3.04 ambi=2 { CD:43.7 } :: atom: 50 6P-HD3 D 3.88 ambi=2 { CD:50.8 } atom: 85 9R-HD3 D 3.19 ambi=2 { CD:43.7 } ::sumAvg: 4.925 atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } atom: 55 7F-H N 8.13 ambi=1 { N:117.2 } :: atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } atom: 55 7F-H N 8.13 ambi=1 { N:117.2 } ::sumAvg: 4.7 atom: 56 7F-HA A 4.22 ambi=1 { CA:60.8 } atom: 71 8T-HA A 3.71 ambi=1 { CA:66.2 } ::sumAvg: 4.8 atom: 56 7F-HA A 4.22 ambi=1 { CA:60.8 } atom: 82 9R-HG2 G 1.58 ambi=2 { CG:28 } :: atom: 56 7F-HA A 4.22 ambi=1 { CA:60.8 } atom: 83 9R-HG3 G 1.65 ambi=2 { CG:28 } ::sumAvg: 4.975 atom: 82 9R-HG2 G 1.58 ambi=2 { CG:28 } atom: 56 7F-HA A 4.22 ambi=1 { CA:60.8 } :: atom: 83 9R-HG3 G 1.65 ambi=2 { CG:28 } atom: 56 7F-HA A 4.22 ambi=1 { CA:60.8 } ::sumAvg: 4.975 atom: 56 7F-HA A 4.22 ambi=1 { CA:60.8 } atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } :: atom: 56 7F-HA A 4.22 ambi=1 { CA:60.8 } atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } ::sumAvg: 4.65 atom: 57 7F-HB2 B 3.05 ambi=2 { CB:38.3 } atom: 71 8T-HA A 3.71 ambi=1 { CA:66.2 } :: atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } atom: 71 8T-HA A 3.71 ambi=1 { CA:66.2 } ::sumAvg: 4.3 atom: 71 8T-HA A 3.71 ambi=1 { CA:66.2 } atom: 57 7F-HB2 B 3.05 ambi=2 { CB:38.3 } :: atom: 71 8T-HA A 3.71 ambi=1 { CA:66.2 } atom: 58 7F-HB3 B 3.31 ambi=2 { CB:38.3 } ::sumAvg: 4.3 atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } :: atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } ::sumAvg: 3.9 atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } atom: 107 11A-HA A 3.7 ambi=1 { CA:54.4 } :: atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } atom: 107 11A-HA A 3.7 ambi=1 { CA:54.4 } ::sumAvg: 4.585 atom: 107 11A-HA A 3.7 ambi=1 { CA:54.4 } atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } :: atom: 107 11A-HA A 3.7 ambi=1 { CA:54.4 } atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } ::sumAvg: 4.585 atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } atom: 112 12L-H N 7.69 ambi=1 { N:120.9 } :: atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } atom: 112 12L-H N 7.69 ambi=1 { N:120.9 } ::sumAvg: 4.75 atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } :: atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 4.755 atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } :: atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } ::sumAvg: 4.555 atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } :: atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } ::sumAvg: 4.555 atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } atom: 389 39Y-QD D 7.25 ambi=3 { CD1:133.4 } :: atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } atom: 389 39Y-QD D 7.25 ambi=3 { CD1:133.4 } ::sumAvg: 4.385 atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } atom: 416 42T-HG1 G1 5.58 ambi=1 {attached_atom is not_assigned} :: atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } atom: 416 42T-HG1 G1 5.58 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.98 atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } :: atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } ::sumAvg: 4.59 atom: 82 9R-HG2 G 1.58 ambi=2 { CG:28 } atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } :: atom: 83 9R-HG3 G 1.65 ambi=2 { CG:28 } atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } ::sumAvg: 4.525 atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } atom: 70 8T-H N 7.83 ambi=1 { N:115.7 } ::sumAvg: 4.855 atom: 71 8T-HA A 3.71 ambi=1 { CA:66.2 } atom: 114 12L-QB B 1.615 ambi=2 { CB:41.5 } ::sumAvg: 4.625 atom: 114 12L-QB B 1.615 ambi=2 { CB:41.5 } atom: 71 8T-HA A 3.71 ambi=1 { CA:66.2 } ::sumAvg: 4.625 atom: 72 8T-HB B 4.25 ambi=1 { CB:68.3 } atom: 79 9R-HA A 3.84 ambi=1 { CA:59.7 } ::sumAvg: 4.34 atom: 79 9R-HA A 3.84 ambi=1 { CA:59.7 } atom: 72 8T-HB B 4.25 ambi=1 { CB:68.3 } ::sumAvg: 4.34 atom: 82 9R-HG2 G 1.58 ambi=2 { CG:28 } atom: 72 8T-HB B 4.25 ambi=1 { CB:68.3 } :: atom: 83 9R-HG3 G 1.65 ambi=2 { CG:28 } atom: 72 8T-HB B 4.25 ambi=1 { CB:68.3 } ::sumAvg: 4.71 atom: 72 8T-HB B 4.25 ambi=1 { CB:68.3 } atom: 84 9R-HD2 D 3.04 ambi=2 { CD:43.7 } :: atom: 72 8T-HB B 4.25 ambi=1 { CB:68.3 } atom: 85 9R-HD3 D 3.19 ambi=2 { CD:43.7 } ::sumAvg: 4.305 atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } atom: 79 9R-HA A 3.84 ambi=1 { CA:59.7 } ::sumAvg: 3.63 atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } atom: 80 9R-HB2 B 1.69 ambi=2 { CB:30.4 } :: atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } atom: 81 9R-HB3 B 1.83 ambi=2 { CB:30.4 } ::sumAvg: 4.27 atom: 80 9R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } :: atom: 81 9R-HB3 B 1.83 ambi=2 { CB:30.4 } atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } ::sumAvg: 4.27 atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } atom: 112 12L-H N 7.69 ambi=1 { N:120.9 } ::sumAvg: 4.39 atom: 114 12L-QB B 1.615 ambi=2 { CB:41.5 } atom: 73 8T-HG2 G2 1.19 ambi=1 { CG2:21.8 } ::sumAvg: 3.52 atom: 114 12L-QB B 1.615 ambi=2 { CB:41.5 } atom: 78 9R-H N 7.3 ambi=1 { N:121.4 } ::sumAvg: 4.37 atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } atom: 79 9R-HA A 3.84 ambi=1 { CA:59.7 } ::sumAvg: 4.915 atom: 116 12L-HG G 1.42 ambi=1 { CG:26.4 } atom: 79 9R-HA A 3.84 ambi=1 { CA:59.7 } ::sumAvg: 4.285 atom: 79 9R-HA A 3.84 ambi=1 { CA:59.7 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 4.665 atom: 273 28L-HB2 B 1.67 ambi=2 { CB:43.1 } atom: 79 9R-HA A 3.84 ambi=1 { CA:59.7 } :: atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } atom: 79 9R-HA A 3.84 ambi=1 { CA:59.7 } ::sumAvg: 4.475 atom: 80 9R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } :: atom: 81 9R-HB3 B 1.83 ambi=2 { CB:30.4 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 4.535 atom: 80 9R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } :: atom: 81 9R-HB3 B 1.83 ambi=2 { CB:30.4 } atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } ::sumAvg: 3.115 atom: 80 9R-HB2 B 1.69 ambi=2 { CB:30.4 } atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } :: atom: 81 9R-HB3 B 1.83 ambi=2 { CB:30.4 } atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } ::sumAvg: 4.285 atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } atom: 82 9R-HG2 G 1.58 ambi=2 { CG:28 } :: atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } atom: 82 9R-HG2 G 1.58 ambi=2 { CG:28 } :: atom: 95 10Y-HB2 B 2.95 ambi=2 { CB:38.3 } atom: 83 9R-HG3 G 1.65 ambi=2 { CG:28 } :: atom: 96 10Y-HB3 B 3.13 ambi=2 { CB:38.3 } atom: 83 9R-HG3 G 1.65 ambi=2 { CG:28 } ::sumAvg: 4.015 atom: 82 9R-HG2 G 1.58 ambi=2 { CG:28 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } :: atom: 83 9R-HG3 G 1.65 ambi=2 { CG:28 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 4.805 atom: 82 9R-HG2 G 1.58 ambi=2 { CG:28 } atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } :: atom: 83 9R-HG3 G 1.65 ambi=2 { CG:28 } atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } ::sumAvg: 3.595 atom: 82 9R-HG2 G 1.58 ambi=2 { CG:28 } atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } :: atom: 83 9R-HG3 G 1.65 ambi=2 { CG:28 } atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } ::sumAvg: 4.545 atom: 82 9R-HG2 G 1.58 ambi=2 { CG:28 } atom: 311 31E-HB2 B 2.13 ambi=2 { CB:29.9 } :: atom: 82 9R-HG2 G 1.58 ambi=2 { CG:28 } atom: 312 31E-HB3 B 2.21 ambi=2 { CB:29.9 } :: atom: 83 9R-HG3 G 1.65 ambi=2 { CG:28 } atom: 311 31E-HB2 B 2.13 ambi=2 { CB:29.9 } :: atom: 83 9R-HG3 G 1.65 ambi=2 { CG:28 } atom: 312 31E-HB3 B 2.21 ambi=2 { CB:29.9 } ::sumAvg: 4.74 atom: 84 9R-HD2 D 3.04 ambi=2 { CD:43.7 } atom: 93 10Y-H N 8.48 ambi=1 { N:121.7 } :: atom: 85 9R-HD3 D 3.19 ambi=2 { CD:43.7 } atom: 93 10Y-H N 8.48 ambi=1 { N:121.7 } ::sumAvg: 4.32 atom: 84 9R-HD2 D 3.04 ambi=2 { CD:43.7 } atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } :: atom: 85 9R-HD3 D 3.19 ambi=2 { CD:43.7 } atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } ::sumAvg: 4.96 atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } atom: 84 9R-HD2 D 3.04 ambi=2 { CD:43.7 } :: atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } atom: 85 9R-HD3 D 3.19 ambi=2 { CD:43.7 } ::sumAvg: 4.96 atom: 273 28L-HB2 B 1.67 ambi=2 { CB:43.1 } atom: 86 9R-HE E 6.71 ambi=1 { NE:85.1 } :: atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } atom: 86 9R-HE E 6.71 ambi=1 { NE:85.1 } ::sumAvg: 4.06 atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } atom: 86 9R-HE E 6.71 ambi=1 { NE:85.1 } ::sumAvg: 4.395 atom: 311 31E-HB2 B 2.13 ambi=2 { CB:29.9 } atom: 86 9R-HE E 6.71 ambi=1 { NE:85.1 } :: atom: 312 31E-HB3 B 2.21 ambi=2 { CB:29.9 } atom: 86 9R-HE E 6.71 ambi=1 { NE:85.1 } ::sumAvg: 3.84 atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } atom: 86 9R-HE E 6.71 ambi=1 { NE:85.1 } ::sumAvg: 4.15 atom: 114 12L-QB B 1.615 ambi=2 { CB:41.5 } atom: 93 10Y-H N 8.48 ambi=1 { N:121.7 } ::sumAvg: 4.435 atom: 94 10Y-HA A 3.8 ambi=1 { CA:61.4 } atom: 112 12L-H N 7.69 ambi=1 { N:120.9 } ::sumAvg: 4.475 atom: 94 10Y-HA A 3.8 ambi=1 { CA:61.4 } atom: 131 14Q-H N 7.66 ambi=1 { N:114 } ::sumAvg: 4.495 atom: 94 10Y-HA A 3.8 ambi=1 { CA:61.4 } atom: 135 14Q-HG2 G 1.75 ambi=2 { CG:32.2 } :: atom: 94 10Y-HA A 3.8 ambi=1 { CA:61.4 } atom: 136 14Q-HG3 G 2.01 ambi=2 { CG:32.2 } ::sumAvg: 4.445 atom: 273 28L-HB2 B 1.67 ambi=2 { CB:43.1 } atom: 94 10Y-HA A 3.8 ambi=1 { CA:61.4 } :: atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } atom: 94 10Y-HA A 3.8 ambi=1 { CA:61.4 } ::sumAvg: 4.245 atom: 94 10Y-HA A 3.8 ambi=1 { CA:61.4 } atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } ::sumAvg: 4.79 atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } atom: 94 10Y-HA A 3.8 ambi=1 { CA:61.4 } ::sumAvg: 4.79 atom: 94 10Y-HA A 3.8 ambi=1 { CA:61.4 } atom: 288 29F-QD D 7 ambi=3 { CD1:130 } ::sumAvg: 3.645 atom: 94 10Y-HA A 3.8 ambi=1 { CA:61.4 } atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } ::sumAvg: 4.955 atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } ::sumAvg: 4.51 atom: 107 11A-HA A 3.7 ambi=1 { CA:54.4 } atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } ::sumAvg: 4.74 atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } ::sumAvg: 4.47 atom: 410 41G-HA3 A 3.88 ambi=2 { CA:46.4 } atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } :: atom: 408 41G-HA2 A 3.41 ambi=2 { CA:46.4 } atom: 99 10Y-QE E 6.78 ambi=3 { CE1:117.9 } ::sumAvg: 3.68 atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } atom: 97 10Y-QD D 7.05 ambi=3 { CD1:133.3 } ::sumAvg: 4.13 atom: 114 12L-QB B 1.615 ambi=2 { CB:41.5 } atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } ::sumAvg: 3.88 atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } atom: 117 12L-HD1 D1 0.73 ambi=2 { CD1:23.3 } ::sumAvg: 4.98 atom: 133 14Q-HB2 B 1.86 ambi=2 { CB:27.7 } atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } :: atom: 134 14Q-HB3 B 1.89 ambi=2 { CB:27.7 } atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } ::sumAvg: 3.97 atom: 135 14Q-HG2 G 1.75 ambi=2 { CG:32.2 } atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } :: atom: 136 14Q-HG3 G 2.01 ambi=2 { CG:32.2 } atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } ::sumAvg: 4.6 atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } :: atom: 108 11A-HB B 1.14 ambi=1 { CB:17.3 } atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } ::sumAvg: 4.72 atom: 114 12L-QB B 1.615 ambi=2 { CB:41.5 } atom: 106 11A-H N 8.5 ambi=1 { N:121.7 } ::sumAvg: 4.245 atom: 135 14Q-HG2 G 1.75 ambi=2 { CG:32.2 } atom: 106 11A-H N 8.5 ambi=1 { N:121.7 } :: atom: 136 14Q-HG3 G 2.01 ambi=2 { CG:32.2 } atom: 106 11A-H N 8.5 ambi=1 { N:121.7 } ::sumAvg: 4.84 atom: 107 11A-HA A 3.7 ambi=1 { CA:54.4 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 4.74 atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } atom: 107 11A-HA A 3.7 ambi=1 { CA:54.4 } ::sumAvg: 4.74 atom: 107 11A-HA A 3.7 ambi=1 { CA:54.4 } atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } :: atom: 107 11A-HA A 3.7 ambi=1 { CA:54.4 } atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } ::sumAvg: 3.62 atom: 107 11A-HA A 3.7 ambi=1 { CA:54.4 } atom: 148 15E-QG G 2.1 ambi=2 { CG:35.5 } ::sumAvg: 4.37 atom: 148 15E-QG G 2.1 ambi=2 { CG:35.5 } atom: 107 11A-HA A 3.7 ambi=1 { CA:54.4 } ::sumAvg: 4.37 atom: 145 15E-HA A 3.9 ambi=1 { CA:58.8 } atom: 155 16H-HA A 4.52 ambi=1 { CA:59.7 } ::sumAvg: 4.86 atom: 145 15E-HA A 3.9 ambi=1 { CA:58.8 } atom: 178 18K-H N 7.96 ambi=1 { N:121 } ::sumAvg: 3.48 atom: 145 15E-HA A 3.9 ambi=1 { CA:58.8 } atom: 180 18K-QB B 1.77 ambi=2 { CB:31.8 } ::sumAvg: 3.48 atom: 145 15E-HA A 3.9 ambi=1 { CA:58.8 } atom: 194 19H-H N 7.41 ambi=1 { N:115.8 } ::sumAvg: 4.45 atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } :: atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } ::sumAvg: 4.76 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } ::sumAvg: 4.76 atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } ::sumAvg: 4.76 atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } atom: 182 18K-HG2 G 1.26 ambi=2 { CG:24.7 } :: atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } atom: 183 18K-HG3 G 1.45 ambi=2 { CG:24.7 } ::sumAvg: 4.675 atom: 182 18K-HG2 G 1.26 ambi=2 { CG:24.7 } atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } :: atom: 183 18K-HG3 G 1.45 ambi=2 { CG:24.7 } atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } ::sumAvg: 4.675 atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } atom: 187 18K-QE E 2.845 ambi=2 { CE:41.8 } ::sumAvg: 4.925 atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } atom: 194 19H-H N 7.41 ambi=1 { N:115.8 } ::sumAvg: 4.895 atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } atom: 196 19H-HB2 B 3.04 ambi=2 { CB:28.5 } :: atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } atom: 197 19H-HB3 B 3.58 ambi=2 { CB:28.5 } ::sumAvg: 4.785 atom: 196 19H-HB2 B 3.04 ambi=2 { CB:28.5 } atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } :: atom: 197 19H-HB3 B 3.58 ambi=2 { CB:28.5 } atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } ::sumAvg: 4.785 atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } atom: 198 19H-HD2 D2 7.24 ambi=1 { CD2:120 } ::sumAvg: 4.575 atom: 113 12L-HA A 3.92 ambi=1 { CA:57.1 } atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } ::sumAvg: 4.875 atom: 114 12L-QB B 1.615 ambi=2 { CB:41.5 } atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } ::sumAvg: 4.255 atom: 114 12L-QB B 1.615 ambi=2 { CB:41.5 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 3.91 atom: 114 12L-QB B 1.615 ambi=2 { CB:41.5 } atom: 148 15E-QG G 2.1 ambi=2 { CG:35.5 } ::sumAvg: 4.405 atom: 114 12L-QB B 1.615 ambi=2 { CB:41.5 } atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } ::sumAvg: 4.795 atom: 116 12L-HG G 1.42 ambi=1 { CG:26.4 } atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } ::sumAvg: 4.095 atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } atom: 116 12L-HG G 1.42 ambi=1 { CG:26.4 } ::sumAvg: 4.095 atom: 116 12L-HG G 1.42 ambi=1 { CG:26.4 } atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } ::sumAvg: 3.98 atom: 116 12L-HG G 1.42 ambi=1 { CG:26.4 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 4.655 atom: 116 12L-HG G 1.42 ambi=1 { CG:26.4 } atom: 154 16H-H N 8.22 ambi=1 { N:119.1 } ::sumAvg: 4.5 atom: 116 12L-HG G 1.42 ambi=1 { CG:26.4 } atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } ::sumAvg: 4.075 atom: 117 12L-HD1 D1 0.73 ambi=2 { CD1:23.3 } atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } :: atom: 118 12L-HD2 D2 0.83 ambi=2 { CD2:24.5 } atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } ::sumAvg: 4.84 atom: 117 12L-HD1 D1 0.73 ambi=2 { CD1:23.3 } atom: 154 16H-H N 8.22 ambi=1 { N:119.1 } :: atom: 118 12L-HD2 D2 0.83 ambi=2 { CD2:24.5 } atom: 154 16H-H N 8.22 ambi=1 { N:119.1 } ::sumAvg: 4.12 atom: 117 12L-HD1 D1 0.73 ambi=2 { CD1:23.3 } atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } :: atom: 118 12L-HD2 D2 0.83 ambi=2 { CD2:24.5 } atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } ::sumAvg: 3.63 atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } atom: 125 13A-H N 8.01 ambi=1 { N:123 } ::sumAvg: 4.95 atom: 133 14Q-HB2 B 1.86 ambi=2 { CB:27.7 } atom: 125 13A-H N 8.01 ambi=1 { N:123 } :: atom: 134 14Q-HB3 B 1.89 ambi=2 { CB:27.7 } atom: 125 13A-H N 8.01 ambi=1 { N:123 } ::sumAvg: 4.8 atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } ::sumAvg: 4.93 atom: 146 15E-QB B 1.96 ambi=2 { CB:28.6 } atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } ::sumAvg: 4.93 atom: 132 14Q-HA A 3.91 ambi=1 { CA:58.2 } atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } ::sumAvg: 4.845 atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } atom: 144 15E-H N 7.9 ambi=1 { N:122.4 } ::sumAvg: 4.29 atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } atom: 165 17L-H N 8.09 ambi=1 { N:120.5 } ::sumAvg: 4.44 atom: 169 17L-HG G 1.65 ambi=1 { CG:26.5 } atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } ::sumAvg: 4.63 atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } ::sumAvg: 4.73 atom: 275 28L-HG G 1.63 ambi=1 { CG:27 } atom: 126 13A-HA A 3.5 ambi=1 { CA:55.4 } ::sumAvg: 4.47 atom: 132 14Q-HA A 3.91 ambi=1 { CA:58.2 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 3.95 atom: 133 14Q-HB2 B 1.86 ambi=2 { CB:27.7 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } :: atom: 134 14Q-HB3 B 1.89 ambi=2 { CB:27.7 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 4.635 atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } atom: 144 15E-H N 7.9 ambi=1 { N:122.4 } ::sumAvg: 4.49 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 3.86 atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } ::sumAvg: 4.78 atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } atom: 252 26L-H N 8.42 ambi=1 { N:116.5 } ::sumAvg: 4.865 atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } ::sumAvg: 4.265 atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } ::sumAvg: 4.495 atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } :: atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 4.495 atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } :: atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } atom: 127 13A-HB B 0.55 ambi=1 { CB:17.4 } ::sumAvg: 4.33 atom: 169 17L-HG G 1.65 ambi=1 { CG:26.5 } atom: 131 14Q-H N 7.66 ambi=1 { N:114 } ::sumAvg: 4.695 atom: 170 17L-HD1 D1 0.97 ambi=2 { CD1:24.9 } atom: 131 14Q-H N 7.66 ambi=1 { N:114 } :: atom: 171 17L-HD2 D2 0.92 ambi=2 { CD2:24.4 } atom: 131 14Q-H N 7.66 ambi=1 { N:114 } ::sumAvg: 4.27 atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } atom: 131 14Q-H N 7.66 ambi=1 { N:114 } ::sumAvg: 4.57 atom: 132 14Q-HA A 3.91 ambi=1 { CA:58.2 } atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } :: atom: 132 14Q-HA A 3.91 ambi=1 { CA:58.2 } atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } ::sumAvg: 4.64 atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } atom: 132 14Q-HA A 3.91 ambi=1 { CA:58.2 } ::sumAvg: 4.09 atom: 133 14Q-HB2 B 1.86 ambi=2 { CB:27.7 } atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } :: atom: 133 14Q-HB2 B 1.86 ambi=2 { CB:27.7 } atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } :: atom: 134 14Q-HB3 B 1.89 ambi=2 { CB:27.7 } atom: 137 14Q-HE21 E2 5.54 ambi=2 { NE2:105.5 } :: atom: 134 14Q-HB3 B 1.89 ambi=2 { CB:27.7 } atom: 138 14Q-HE22 E2 5.21 ambi=2 { NE2:105.5 } ::sumAvg: 3.02 atom: 133 14Q-HB2 B 1.86 ambi=2 { CB:27.7 } atom: 292 29F-HZ Z 6.72 ambi=1 { CZ:128.8 } :: atom: 134 14Q-HB3 B 1.89 ambi=2 { CB:27.7 } atom: 292 29F-HZ Z 6.72 ambi=1 { CZ:128.8 } ::sumAvg: 4.785 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 144 15E-H N 7.9 ambi=1 { N:122.4 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 144 15E-H N 7.9 ambi=1 { N:122.4 } ::sumAvg: 4.73 atom: 167 17L-QB B 1.72 ambi=2 { CB:41.4 } atom: 144 15E-H N 7.9 ambi=1 { N:122.4 } ::sumAvg: 4.96 atom: 182 18K-HG2 G 1.26 ambi=2 { CG:24.7 } atom: 144 15E-H N 7.9 ambi=1 { N:122.4 } :: atom: 183 18K-HG3 G 1.45 ambi=2 { CG:24.7 } atom: 144 15E-H N 7.9 ambi=1 { N:122.4 } ::sumAvg: 4.895 atom: 184 18K-HD2 D 1.56 ambi=2 { CD:28.9 } atom: 148 15E-QG G 2.1 ambi=2 { CG:35.5 } :: atom: 185 18K-HD3 D 1.58 ambi=2 { CD:28.9 } atom: 148 15E-QG G 2.1 ambi=2 { CG:35.5 } ::sumAvg: 4.77 atom: 148 15E-QG G 2.1 ambi=2 { CG:35.5 } atom: 187 18K-QE E 2.845 ambi=2 { CE:41.8 } ::sumAvg: 4.87 atom: 187 18K-QE E 2.845 ambi=2 { CE:41.8 } atom: 148 15E-QG G 2.1 ambi=2 { CG:35.5 } ::sumAvg: 4.87 atom: 221 22A-HA A 3.84 ambi=1 { CA:55.3 } atom: 233 24R-H N 7.23 ambi=1 { N:122.3 } ::sumAvg: 4.39 atom: 221 22A-HA A 3.84 ambi=1 { CA:55.3 } atom: 254 26L-HB2 B 1.47 ambi=2 { CB:41.8 } :: atom: 221 22A-HA A 3.84 ambi=1 { CA:55.3 } atom: 255 26L-HB3 B 1.86 ambi=2 { CB:41.8 } ::sumAvg: 4.83 atom: 222 22A-HB B 1.41 ambi=1 { CB:18.3 } atom: 227 23S-HA A 4.07 ambi=1 { CA:61.8 } ::sumAvg: 3.97 atom: 222 22A-HB B 1.41 ambi=1 { CB:18.3 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } ::sumAvg: 4.6 atom: 222 22A-HB B 1.41 ambi=1 { CB:18.3 } atom: 257 26L-HD1 D1 0.66 ambi=2 { CD1:24.3 } :: atom: 222 22A-HB B 1.41 ambi=1 { CB:18.3 } atom: 258 26L-HD2 D2 0.87 ambi=2 { CD2:25.5 } ::sumAvg: 4.67 atom: 222 22A-HB B 1.41 ambi=1 { CB:18.3 } atom: 531 52R-HB2 B 2.17 ambi=2 { CB:29.6 } :: atom: 222 22A-HB B 1.41 ambi=1 { CB:18.3 } atom: 532 52R-HB3 B 2.1 ambi=2 { CB:29.6 } ::sumAvg: 4.94 atom: 222 22A-HB B 1.41 ambi=1 { CB:18.3 } atom: 535 52R-HD2 D 3.13 ambi=2 { CD:43.8 } :: atom: 222 22A-HB B 1.41 ambi=1 { CB:18.3 } atom: 536 52R-HD3 D 3.21 ambi=2 { CD:43.8 } ::sumAvg: 4.705 atom: 535 52R-HD2 D 3.13 ambi=2 { CD:43.8 } atom: 222 22A-HB B 1.41 ambi=1 { CB:18.3 } :: atom: 536 52R-HD3 D 3.21 ambi=2 { CD:43.8 } atom: 222 22A-HB B 1.41 ambi=1 { CB:18.3 } ::sumAvg: 4.705 atom: 546 53L-HG G 1.84 ambi=1 { CG:26.3 } atom: 222 22A-HB B 1.41 ambi=1 { CB:18.3 } ::sumAvg: 4.095 atom: 169 17L-HG G 1.65 ambi=1 { CG:26.5 } atom: 154 16H-H N 8.22 ambi=1 { N:119.1 } ::sumAvg: 4.55 atom: 276 28L-HD1 D1 0.74 ambi=2 { CD1:26.1 } atom: 154 16H-H N 8.22 ambi=1 { N:119.1 } :: atom: 277 28L-HD2 D2 0.86 ambi=2 { CD2:23.1 } atom: 154 16H-H N 8.22 ambi=1 { N:119.1 } ::sumAvg: 4.65 atom: 155 16H-HA A 4.52 ambi=1 { CA:59.7 } atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } ::sumAvg: 4.56 atom: 155 16H-HA A 4.52 ambi=1 { CA:59.7 } atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } ::sumAvg: 4.73 atom: 166 17L-HA A 3.87 ambi=1 { CA:57.9 } atom: 155 16H-HA A 4.52 ambi=1 { CA:59.7 } ::sumAvg: 4.88 atom: 155 16H-HA A 4.52 ambi=1 { CA:59.7 } atom: 198 19H-HD2 D2 7.24 ambi=1 { CD2:120 } ::sumAvg: 4.72 atom: 155 16H-HA A 4.52 ambi=1 { CA:59.7 } atom: 203 20D-H N 8.01 ambi=1 { N:115.9 } ::sumAvg: 4.855 atom: 155 16H-HA A 4.52 ambi=1 { CA:59.7 } atom: 235 24R-HB2 B 0.9 ambi=2 { CB:29.1 } :: atom: 155 16H-HA A 4.52 ambi=1 { CA:59.7 } atom: 236 24R-HB3 B 1.13 ambi=2 { CB:29.1 } ::sumAvg: 4.94 atom: 235 24R-HB2 B 0.9 ambi=2 { CB:29.1 } atom: 155 16H-HA A 4.52 ambi=1 { CA:59.7 } :: atom: 236 24R-HB3 B 1.13 ambi=2 { CB:29.1 } atom: 155 16H-HA A 4.52 ambi=1 { CA:59.7 } ::sumAvg: 4.94 atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } atom: 155 16H-HA A 4.52 ambi=1 { CA:59.7 } ::sumAvg: 4.4 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 221 22A-HA A 3.84 ambi=1 { CA:55.3 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 221 22A-HA A 3.84 ambi=1 { CA:55.3 } ::sumAvg: 4.225 atom: 221 22A-HA A 3.84 ambi=1 { CA:55.3 } atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } :: atom: 221 22A-HA A 3.84 ambi=1 { CA:55.3 } atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } ::sumAvg: 4.225 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } ::sumAvg: 4.905 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 166 17L-HA A 3.87 ambi=1 { CA:57.9 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 166 17L-HA A 3.87 ambi=1 { CA:57.9 } ::sumAvg: 4.485 atom: 166 17L-HA A 3.87 ambi=1 { CA:57.9 } atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } :: atom: 166 17L-HA A 3.87 ambi=1 { CA:57.9 } atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } ::sumAvg: 4.485 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 167 17L-QB B 1.72 ambi=2 { CB:41.4 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 167 17L-QB B 1.72 ambi=2 { CB:41.4 } ::sumAvg: 4.89 atom: 167 17L-QB B 1.72 ambi=2 { CB:41.4 } atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } :: atom: 167 17L-QB B 1.72 ambi=2 { CB:41.4 } atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } ::sumAvg: 4.89 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 169 17L-HG G 1.65 ambi=1 { CG:26.5 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 169 17L-HG G 1.65 ambi=1 { CG:26.5 } ::sumAvg: 3.91 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 197 19H-HB3 B 3.58 ambi=2 { CB:28.5 } ::sumAvg: 4.715 atom: 197 19H-HB3 B 3.58 ambi=2 { CB:28.5 } atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } ::sumAvg: 4.715 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 210 21N-H N 8.45 ambi=1 { N:118.7 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 210 21N-H N 8.45 ambi=1 { N:118.7 } ::sumAvg: 3.95 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } ::sumAvg: 4.6 atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } :: atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } ::sumAvg: 4.6 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 220 22A-H N 8.01 ambi=1 { N:123.3 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 220 22A-H N 8.01 ambi=1 { N:123.3 } ::sumAvg: 4.96 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 233 24R-H N 7.23 ambi=1 { N:122.3 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 233 24R-H N 7.23 ambi=1 { N:122.3 } ::sumAvg: 4.21 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 237 24R-HG2 G 1.03 ambi=2 { CG:25.9 } :: atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 238 24R-HG3 G 1.16 ambi=2 { CG:25.9 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 237 24R-HG2 G 1.03 ambi=2 { CG:25.9 } :: atom: 157 16H-HB3 B 3.21 ambi=2 { CB:29.6 } atom: 238 24R-HG3 G 1.16 ambi=2 { CG:25.9 } ::sumAvg: 4.8 atom: 156 16H-HB2 B 2.97 ambi=2 { CB:29.6 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } ::sumAvg: 3.03 atom: 235 24R-HB2 B 0.9 ambi=2 { CB:29.1 } atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } :: atom: 236 24R-HB3 B 1.13 ambi=2 { CB:29.1 } atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } ::sumAvg: 4.09 atom: 273 28L-HB2 B 1.67 ambi=2 { CB:43.1 } atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } :: atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } ::sumAvg: 4.44 atom: 275 28L-HG G 1.63 ambi=1 { CG:27 } atom: 158 16H-HD2 D2 6.41 ambi=1 { CD2:118.6 } ::sumAvg: 3.865 atom: 212 21N-HB2 B 2.65 ambi=2 { CB:37 } atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } :: atom: 213 21N-HB3 B 3.06 ambi=2 { CB:37 } atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } ::sumAvg: 4.915 atom: 235 24R-HB2 B 0.9 ambi=2 { CB:29.1 } atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } :: atom: 236 24R-HB3 B 1.13 ambi=2 { CB:29.1 } atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } ::sumAvg: 4.225 atom: 237 24R-HG2 G 1.03 ambi=2 { CG:25.9 } atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } :: atom: 238 24R-HG3 G 1.16 ambi=2 { CG:25.9 } atom: 159 16H-HE1 E1 7.64 ambi=1 { CE1:139.2 } ::sumAvg: 4.6 atom: 221 22A-HA A 3.84 ambi=1 { CA:55.3 } atom: 165 17L-H N 8.09 ambi=1 { N:120.5 } ::sumAvg: 4.705 atom: 182 18K-HG2 G 1.26 ambi=2 { CG:24.7 } atom: 165 17L-H N 8.09 ambi=1 { N:120.5 } :: atom: 183 18K-HG3 G 1.45 ambi=2 { CG:24.7 } atom: 165 17L-H N 8.09 ambi=1 { N:120.5 } ::sumAvg: 4.325 atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } atom: 165 17L-H N 8.09 ambi=1 { N:120.5 } ::sumAvg: 4.99 atom: 166 17L-HA A 3.87 ambi=1 { CA:57.9 } atom: 203 20D-H N 8.01 ambi=1 { N:115.9 } ::sumAvg: 3.815 atom: 166 17L-HA A 3.87 ambi=1 { CA:57.9 } atom: 204 20D-HA A 4.37 ambi=1 { CA:55.6 } ::sumAvg: 4.245 atom: 204 20D-HA A 4.37 ambi=1 { CA:55.6 } atom: 166 17L-HA A 3.87 ambi=1 { CA:57.9 } ::sumAvg: 4.245 atom: 166 17L-HA A 3.87 ambi=1 { CA:57.9 } atom: 220 22A-H N 8.01 ambi=1 { N:123.3 } ::sumAvg: 4.24 atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } atom: 167 17L-QB B 1.72 ambi=2 { CB:41.4 } :: atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } atom: 167 17L-QB B 1.72 ambi=2 { CB:41.4 } ::sumAvg: 4.255 atom: 169 17L-HG G 1.65 ambi=1 { CG:26.5 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } ::sumAvg: 4.685 atom: 169 17L-HG G 1.65 ambi=1 { CG:26.5 } atom: 292 29F-HZ Z 6.72 ambi=1 { CZ:128.8 } ::sumAvg: 4.125 atom: 170 17L-HD1 D1 0.97 ambi=2 { CD1:24.9 } atom: 220 22A-H N 8.01 ambi=1 { N:123.3 } :: atom: 171 17L-HD2 D2 0.92 ambi=2 { CD2:24.4 } atom: 220 22A-H N 8.01 ambi=1 { N:123.3 } ::sumAvg: 4.305 atom: 170 17L-HD1 D1 0.97 ambi=2 { CD1:24.9 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } :: atom: 171 17L-HD2 D2 0.92 ambi=2 { CD2:24.4 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } ::sumAvg: 4.27 atom: 170 17L-HD1 D1 0.97 ambi=2 { CD1:24.9 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } :: atom: 171 17L-HD2 D2 0.92 ambi=2 { CD2:24.4 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } ::sumAvg: 4.615 atom: 187 18K-QE E 2.845 ambi=2 { CE:41.8 } atom: 178 18K-H N 7.96 ambi=1 { N:121 } ::sumAvg: 4.275 atom: 196 19H-HB2 B 3.04 ambi=2 { CB:28.5 } atom: 178 18K-H N 7.96 ambi=1 { N:121 } :: atom: 197 19H-HB3 B 3.58 ambi=2 { CB:28.5 } atom: 178 18K-H N 7.96 ambi=1 { N:121 } ::sumAvg: 4.74 atom: 179 18K-HA A 4.03 ambi=1 { CA:58.4 } atom: 187 18K-QE E 2.845 ambi=2 { CE:41.8 } ::sumAvg: 4.59 atom: 179 18K-HA A 4.03 ambi=1 { CA:58.4 } atom: 195 19H-HA A 4.72 ambi=1 { CA:54.7 } ::sumAvg: 4.715 atom: 195 19H-HA A 4.72 ambi=1 { CA:54.7 } atom: 179 18K-HA A 4.03 ambi=1 { CA:58.4 } ::sumAvg: 4.715 atom: 179 18K-HA A 4.03 ambi=1 { CA:58.4 } atom: 203 20D-H N 8.01 ambi=1 { N:115.9 } ::sumAvg: 3.62 atom: 180 18K-QB B 1.77 ambi=2 { CB:31.8 } atom: 195 19H-HA A 4.72 ambi=1 { CA:54.7 } ::sumAvg: 4.36 atom: 195 19H-HA A 4.72 ambi=1 { CA:54.7 } atom: 180 18K-QB B 1.77 ambi=2 { CB:31.8 } ::sumAvg: 4.36 atom: 182 18K-HG2 G 1.26 ambi=2 { CG:24.7 } atom: 198 19H-HD2 D2 7.24 ambi=1 { CD2:120 } :: atom: 183 18K-HG3 G 1.45 ambi=2 { CG:24.7 } atom: 198 19H-HD2 D2 7.24 ambi=1 { CD2:120 } ::sumAvg: 4.47 atom: 184 18K-HD2 D 1.56 ambi=2 { CD:28.9 } atom: 198 19H-HD2 D2 7.24 ambi=1 { CD2:120 } :: atom: 185 18K-HD3 D 1.58 ambi=2 { CD:28.9 } atom: 198 19H-HD2 D2 7.24 ambi=1 { CD2:120 } ::sumAvg: 4.895 atom: 195 19H-HA A 4.72 ambi=1 { CA:54.7 } atom: 194 19H-H N 7.41 ambi=1 { N:115.8 } ::sumAvg: 2.925 atom: 212 21N-HB2 B 2.65 ambi=2 { CB:37 } atom: 194 19H-H N 7.41 ambi=1 { N:115.8 } :: atom: 213 21N-HB3 B 3.06 ambi=2 { CB:37 } atom: 194 19H-H N 7.41 ambi=1 { N:115.8 } ::sumAvg: 4.805 atom: 195 19H-HA A 4.72 ambi=1 { CA:54.7 } atom: 203 20D-H N 8.01 ambi=1 { N:115.9 } ::sumAvg: 3.105 atom: 195 19H-HA A 4.72 ambi=1 { CA:54.7 } atom: 205 20D-HB2 B 2.61 ambi=2 { CB:39.6 } :: atom: 195 19H-HA A 4.72 ambi=1 { CA:54.7 } atom: 206 20D-HB3 B 3.14 ambi=2 { CB:39.6 } ::sumAvg: 4.265 atom: 205 20D-HB2 B 2.61 ambi=2 { CB:39.6 } atom: 195 19H-HA A 4.72 ambi=1 { CA:54.7 } :: atom: 206 20D-HB3 B 3.14 ambi=2 { CB:39.6 } atom: 195 19H-HA A 4.72 ambi=1 { CA:54.7 } ::sumAvg: 4.265 atom: 195 19H-HA A 4.72 ambi=1 { CA:54.7 } atom: 210 21N-H N 8.45 ambi=1 { N:118.7 } ::sumAvg: 4.385 atom: 196 19H-HB2 B 3.04 ambi=2 { CB:28.5 } atom: 205 20D-HB2 B 2.61 ambi=2 { CB:39.6 } :: atom: 197 19H-HB3 B 3.58 ambi=2 { CB:28.5 } atom: 205 20D-HB2 B 2.61 ambi=2 { CB:39.6 } :: atom: 197 19H-HB3 B 3.58 ambi=2 { CB:28.5 } atom: 206 20D-HB3 B 3.14 ambi=2 { CB:39.6 } ::sumAvg: 4.875 atom: 205 20D-HB2 B 2.61 ambi=2 { CB:39.6 } atom: 196 19H-HB2 B 3.04 ambi=2 { CB:28.5 } :: atom: 205 20D-HB2 B 2.61 ambi=2 { CB:39.6 } atom: 197 19H-HB3 B 3.58 ambi=2 { CB:28.5 } :: atom: 206 20D-HB3 B 3.14 ambi=2 { CB:39.6 } atom: 197 19H-HB3 B 3.58 ambi=2 { CB:28.5 } ::sumAvg: 4.875 atom: 212 21N-HB2 B 2.65 ambi=2 { CB:37 } atom: 197 19H-HB3 B 3.58 ambi=2 { CB:28.5 } :: atom: 213 21N-HB3 B 3.06 ambi=2 { CB:37 } atom: 197 19H-HB3 B 3.58 ambi=2 { CB:28.5 } ::sumAvg: 3.725 atom: 196 19H-HB2 B 3.04 ambi=2 { CB:28.5 } atom: 214 21N-HD21 D2 6.78 ambi=2 { ND2:112.2 } :: atom: 196 19H-HB2 B 3.04 ambi=2 { CB:28.5 } atom: 215 21N-HD22 D2 7.82 ambi=2 { ND2:112.2 } :: atom: 197 19H-HB3 B 3.58 ambi=2 { CB:28.5 } atom: 214 21N-HD21 D2 6.78 ambi=2 { ND2:112.2 } :: atom: 197 19H-HB3 B 3.58 ambi=2 { CB:28.5 } atom: 215 21N-HD22 D2 7.82 ambi=2 { ND2:112.2 } ::sumAvg: 4.815 atom: 222 22A-HB B 1.41 ambi=1 { CB:18.3 } atom: 204 20D-HA A 4.37 ambi=1 { CA:55.6 } ::sumAvg: 3.965 atom: 204 20D-HA A 4.37 ambi=1 { CA:55.6 } atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } ::sumAvg: 4.76 atom: 205 20D-HB2 B 2.61 ambi=2 { CB:39.6 } atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } :: atom: 206 20D-HB3 B 3.14 ambi=2 { CB:39.6 } atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } ::sumAvg: 4.74 atom: 222 22A-HB B 1.41 ambi=1 { CB:18.3 } atom: 210 21N-H N 8.45 ambi=1 { N:118.7 } ::sumAvg: 4.83 atom: 228 23S-HB2 B 3.89 ambi=2 { CB:61.9 } atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } :: atom: 229 23S-HB3 B 3.87 ambi=2 { CB:61.9 } atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } ::sumAvg: 4.87 atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } atom: 233 24R-H N 7.23 ambi=1 { N:122.3 } ::sumAvg: 3.725 atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } atom: 235 24R-HB2 B 0.9 ambi=2 { CB:29.1 } :: atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } atom: 236 24R-HB3 B 1.13 ambi=2 { CB:29.1 } ::sumAvg: 4.305 atom: 235 24R-HB2 B 0.9 ambi=2 { CB:29.1 } atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } :: atom: 236 24R-HB3 B 1.13 ambi=2 { CB:29.1 } atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } ::sumAvg: 4.305 atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } atom: 237 24R-HG2 G 1.03 ambi=2 { CG:25.9 } :: atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } atom: 238 24R-HG3 G 1.16 ambi=2 { CG:25.9 } ::sumAvg: 4.285 atom: 237 24R-HG2 G 1.03 ambi=2 { CG:25.9 } atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } :: atom: 238 24R-HG3 G 1.16 ambi=2 { CG:25.9 } atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } ::sumAvg: 4.285 atom: 211 21N-HA A 5.13 ambi=1 { CA:50.6 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } ::sumAvg: 4.995 atom: 212 21N-HB2 B 2.65 ambi=2 { CB:37 } atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } :: atom: 213 21N-HB3 B 3.06 ambi=2 { CB:37 } atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } ::sumAvg: 4.71 atom: 212 21N-HB2 B 2.65 ambi=2 { CB:37 } atom: 234 24R-HA A 3.96 ambi=1 { CA:57 } :: atom: 213 21N-HB3 B 3.06 ambi=2 { CB:37 } atom: 234 24R-HA A 3.96 ambi=1 { CA:57 } ::sumAvg: 4.955 atom: 234 24R-HA A 3.96 ambi=1 { CA:57 } atom: 212 21N-HB2 B 2.65 ambi=2 { CB:37 } :: atom: 234 24R-HA A 3.96 ambi=1 { CA:57 } atom: 213 21N-HB3 B 3.06 ambi=2 { CB:37 } ::sumAvg: 4.955 atom: 228 23S-HB2 B 3.89 ambi=2 { CB:61.9 } atom: 220 22A-H N 8.01 ambi=1 { N:123.3 } :: atom: 229 23S-HB3 B 3.87 ambi=2 { CB:61.9 } atom: 220 22A-H N 8.01 ambi=1 { N:123.3 } ::sumAvg: 4.925 atom: 228 23S-HB2 B 3.89 ambi=2 { CB:61.9 } atom: 237 24R-HG2 G 1.03 ambi=2 { CG:25.9 } :: atom: 228 23S-HB2 B 3.89 ambi=2 { CB:61.9 } atom: 238 24R-HG3 G 1.16 ambi=2 { CG:25.9 } :: atom: 229 23S-HB3 B 3.87 ambi=2 { CB:61.9 } atom: 237 24R-HG2 G 1.03 ambi=2 { CG:25.9 } :: atom: 229 23S-HB3 B 3.87 ambi=2 { CB:61.9 } atom: 238 24R-HG3 G 1.16 ambi=2 { CG:25.9 } ::sumAvg: 3.825 atom: 237 24R-HG2 G 1.03 ambi=2 { CG:25.9 } atom: 228 23S-HB2 B 3.89 ambi=2 { CB:61.9 } :: atom: 238 24R-HG3 G 1.16 ambi=2 { CG:25.9 } atom: 228 23S-HB2 B 3.89 ambi=2 { CB:61.9 } :: atom: 237 24R-HG2 G 1.03 ambi=2 { CG:25.9 } atom: 229 23S-HB3 B 3.87 ambi=2 { CB:61.9 } :: atom: 238 24R-HG3 G 1.16 ambi=2 { CG:25.9 } atom: 229 23S-HB3 B 3.87 ambi=2 { CB:61.9 } ::sumAvg: 3.825 atom: 228 23S-HB2 B 3.89 ambi=2 { CB:61.9 } atom: 239 24R-HD2 D 2.79 ambi=2 { CD:42.2 } :: atom: 228 23S-HB2 B 3.89 ambi=2 { CB:61.9 } atom: 240 24R-HD3 D 2.93 ambi=2 { CD:42.2 } :: atom: 229 23S-HB3 B 3.87 ambi=2 { CB:61.9 } atom: 239 24R-HD2 D 2.79 ambi=2 { CD:42.2 } :: atom: 229 23S-HB3 B 3.87 ambi=2 { CB:61.9 } atom: 240 24R-HD3 D 2.93 ambi=2 { CD:42.2 } ::sumAvg: 4.5 atom: 239 24R-HD2 D 2.79 ambi=2 { CD:42.2 } atom: 228 23S-HB2 B 3.89 ambi=2 { CB:61.9 } :: atom: 240 24R-HD3 D 2.93 ambi=2 { CD:42.2 } atom: 228 23S-HB2 B 3.89 ambi=2 { CB:61.9 } :: atom: 239 24R-HD2 D 2.79 ambi=2 { CD:42.2 } atom: 229 23S-HB3 B 3.87 ambi=2 { CB:61.9 } :: atom: 240 24R-HD3 D 2.93 ambi=2 { CD:42.2 } atom: 229 23S-HB3 B 3.87 ambi=2 { CB:61.9 } ::sumAvg: 4.5 atom: 235 24R-HB2 B 0.9 ambi=2 { CB:29.1 } atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } :: atom: 236 24R-HB3 B 1.13 ambi=2 { CB:29.1 } atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } ::sumAvg: 4.985 atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } ::sumAvg: 4.66 atom: 254 26L-HB2 B 1.47 ambi=2 { CB:41.8 } atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } :: atom: 255 26L-HB3 B 1.86 ambi=2 { CB:41.8 } atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } ::sumAvg: 4.84 atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } :: atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } ::sumAvg: 4.895 atom: 547 53L-HD1 D1 0.91 ambi=2 { CD1:26.5 } atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } :: atom: 548 53L-HD2 D2 0.82 ambi=2 { CD2:21.6 } atom: 226 23S-H N 8.67 ambi=1 { N:112.5 } ::sumAvg: 4.81 atom: 227 23S-HA A 4.07 ambi=1 { CA:61.8 } atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } ::sumAvg: 4.835 atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } atom: 227 23S-HA A 4.07 ambi=1 { CA:61.8 } ::sumAvg: 4.835 atom: 227 23S-HA A 4.07 ambi=1 { CA:61.8 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } ::sumAvg: 4.465 atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } atom: 227 23S-HA A 4.07 ambi=1 { CA:61.8 } ::sumAvg: 4.89 atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } atom: 227 23S-HA A 4.07 ambi=1 { CA:61.8 } :: atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } atom: 227 23S-HA A 4.07 ambi=1 { CA:61.8 } ::sumAvg: 4.265 atom: 547 53L-HD1 D1 0.91 ambi=2 { CD1:26.5 } atom: 227 23S-HA A 4.07 ambi=1 { CA:61.8 } :: atom: 548 53L-HD2 D2 0.82 ambi=2 { CD2:21.6 } atom: 227 23S-HA A 4.07 ambi=1 { CA:61.8 } ::sumAvg: 4.075 atom: 235 24R-HB2 B 0.9 ambi=2 { CB:29.1 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } :: atom: 236 24R-HB3 B 1.13 ambi=2 { CB:29.1 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } ::sumAvg: 4.435 atom: 235 24R-HB2 B 0.9 ambi=2 { CB:29.1 } atom: 252 26L-H N 8.42 ambi=1 { N:116.5 } :: atom: 236 24R-HB3 B 1.13 ambi=2 { CB:29.1 } atom: 252 26L-H N 8.42 ambi=1 { N:116.5 } ::sumAvg: 4.975 atom: 235 24R-HB2 B 0.9 ambi=2 { CB:29.1 } atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } ::sumAvg: 4.415 atom: 235 24R-HB2 B 0.9 ambi=2 { CB:29.1 } atom: 275 28L-HG G 1.63 ambi=1 { CG:27 } :: atom: 236 24R-HB3 B 1.13 ambi=2 { CB:29.1 } atom: 275 28L-HG G 1.63 ambi=1 { CG:27 } ::sumAvg: 4.345 atom: 234 24R-HA A 3.96 ambi=1 { CA:57 } atom: 252 26L-H N 8.42 ambi=1 { N:116.5 } ::sumAvg: 4.21 atom: 234 24R-HA A 3.96 ambi=1 { CA:57 } atom: 271 28L-H N 7.5 ambi=1 { N:118.3 } ::sumAvg: 4.33 atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } atom: 239 24R-HD2 D 2.79 ambi=2 { CD:42.2 } :: atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } atom: 240 24R-HD3 D 2.93 ambi=2 { CD:42.2 } ::sumAvg: 3.85 atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } atom: 257 26L-HD1 D1 0.66 ambi=2 { CD1:24.3 } ::sumAvg: 4.7 atom: 273 28L-HB2 B 1.67 ambi=2 { CB:43.1 } atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } ::sumAvg: 4.165 atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } atom: 284 29F-H N 8.69 ambi=1 { N:119 } ::sumAvg: 4.67 atom: 496 49L-HB3 B 1.86 ambi=2 { CB:41 } atom: 248 25A-HB B 1.25 ambi=1 { CB:18.7 } ::sumAvg: 4.67 atom: 254 26L-HB2 B 1.47 ambi=2 { CB:41.8 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } :: atom: 255 26L-HB3 B 1.86 ambi=2 { CB:41.8 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } ::sumAvg: 4.705 atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } ::sumAvg: 4.86 atom: 276 28L-HD1 D1 0.74 ambi=2 { CD1:26.1 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } :: atom: 277 28L-HD2 D2 0.86 ambi=2 { CD2:23.1 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } ::sumAvg: 4.79 atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } :: atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } atom: 246 25A-H N 7.34 ambi=1 { N:120.2 } ::sumAvg: 4.24 atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } ::sumAvg: 4.94 atom: 275 28L-HG G 1.63 ambi=1 { CG:27 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } ::sumAvg: 3.58 atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } atom: 288 29F-QD D 7 ambi=3 { CD1:130 } ::sumAvg: 4.75 atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } ::sumAvg: 4.695 atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } :: atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } atom: 247 25A-HA A 3.57 ambi=1 { CA:55.3 } ::sumAvg: 4.5 atom: 253 26L-HA A 3.8 ambi=1 { CA:58.3 } atom: 271 28L-H N 7.5 ambi=1 { N:118.3 } ::sumAvg: 4.58 atom: 253 26L-HA A 3.8 ambi=1 { CA:58.3 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } ::sumAvg: 4.15 atom: 495 49L-HB2 B 1.61 ambi=2 { CB:41 } atom: 253 26L-HA A 3.8 ambi=1 { CA:58.3 } :: atom: 496 49L-HB3 B 1.86 ambi=2 { CB:41 } atom: 253 26L-HA A 3.8 ambi=1 { CA:58.3 } ::sumAvg: 4.47 atom: 497 49L-HG G 1.6 ambi=1 { CG:27 } atom: 253 26L-HA A 3.8 ambi=1 { CA:58.3 } ::sumAvg: 4.26 atom: 254 26L-HB2 B 1.47 ambi=2 { CB:41.8 } atom: 288 29F-QD D 7 ambi=3 { CD1:130 } :: atom: 255 26L-HB3 B 1.86 ambi=2 { CB:41.8 } atom: 288 29F-QD D 7 ambi=3 { CD1:130 } ::sumAvg: 4.79 atom: 256 26L-HG G 1.37 ambi=1 { CG:26.4 } atom: 266 27A-HA A 4.12 ambi=1 { CA:54.7 } ::sumAvg: 4.07 atom: 256 26L-HG G 1.37 ambi=1 { CG:26.4 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 256 26L-HG G 1.37 ambi=1 { CG:26.4 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } ::sumAvg: 4.935 atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } atom: 256 26L-HG G 1.37 ambi=1 { CG:26.4 } :: atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } atom: 256 26L-HG G 1.37 ambi=1 { CG:26.4 } ::sumAvg: 4.935 atom: 256 26L-HG G 1.37 ambi=1 { CG:26.4 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } ::sumAvg: 4.615 atom: 301 30E-HB2 B 1.88 ambi=2 { CB:29.1 } atom: 256 26L-HG G 1.37 ambi=1 { CG:26.4 } :: atom: 302 30E-HB3 B 2.17 ambi=2 { CB:29.1 } atom: 256 26L-HG G 1.37 ambi=1 { CG:26.4 } ::sumAvg: 4.51 atom: 256 26L-HG G 1.37 ambi=1 { CG:26.4 } atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } ::sumAvg: 4.055 atom: 256 26L-HG G 1.37 ambi=1 { CG:26.4 } atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } ::sumAvg: 3.985 atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } atom: 257 26L-HD1 D1 0.66 ambi=2 { CD1:24.3 } :: atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } atom: 258 26L-HD2 D2 0.87 ambi=2 { CD2:25.5 } ::sumAvg: 4.525 atom: 257 26L-HD1 D1 0.66 ambi=2 { CD1:24.3 } atom: 460 46L-HA A 3.66 ambi=1 { CA:57.1 } :: atom: 258 26L-HD2 D2 0.87 ambi=2 { CD2:25.5 } atom: 460 46L-HA A 3.66 ambi=1 { CA:57.1 } ::sumAvg: 3.775 atom: 257 26L-HD1 D1 0.66 ambi=2 { CD1:24.3 } atom: 506 50Y-H N 8.61 ambi=1 { N:119 } :: atom: 258 26L-HD2 D2 0.87 ambi=2 { CD2:25.5 } atom: 506 50Y-H N 8.61 ambi=1 { N:119 } ::sumAvg: 3.915 atom: 257 26L-HD1 D1 0.66 ambi=2 { CD1:24.3 } atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } :: atom: 257 26L-HD1 D1 0.66 ambi=2 { CD1:24.3 } atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } :: atom: 258 26L-HD2 D2 0.87 ambi=2 { CD2:25.5 } atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } :: atom: 258 26L-HD2 D2 0.87 ambi=2 { CD2:25.5 } atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } ::sumAvg: 4.915 atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } atom: 257 26L-HD1 D1 0.66 ambi=2 { CD1:24.3 } :: atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } atom: 257 26L-HD1 D1 0.66 ambi=2 { CD1:24.3 } :: atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } atom: 258 26L-HD2 D2 0.87 ambi=2 { CD2:25.5 } :: atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } atom: 258 26L-HD2 D2 0.87 ambi=2 { CD2:25.5 } ::sumAvg: 4.915 atom: 301 30E-HB2 B 1.88 ambi=2 { CB:29.1 } atom: 265 27A-H N 7.19 ambi=1 { N:118.2 } :: atom: 302 30E-HB3 B 2.17 ambi=2 { CB:29.1 } atom: 265 27A-H N 7.19 ambi=1 { N:118.2 } ::sumAvg: 4.985 atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } atom: 265 27A-H N 7.19 ambi=1 { N:118.2 } :: atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } atom: 265 27A-H N 7.19 ambi=1 { N:118.2 } ::sumAvg: 4.665 atom: 266 27A-HA A 4.12 ambi=1 { CA:54.7 } atom: 284 29F-H N 8.69 ambi=1 { N:119 } ::sumAvg: 4.58 atom: 303 30E-HG2 G 2.18 ambi=2 { CG:37.9 } atom: 266 27A-HA A 4.12 ambi=1 { CA:54.7 } :: atom: 304 30E-HG3 G 2.67 ambi=2 { CG:37.9 } atom: 266 27A-HA A 4.12 ambi=1 { CA:54.7 } ::sumAvg: 3.94 atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } ::sumAvg: 3.88 atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } ::sumAvg: 4.76 atom: 301 30E-HB2 B 1.88 ambi=2 { CB:29.1 } atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } :: atom: 302 30E-HB3 B 2.17 ambi=2 { CB:29.1 } atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } ::sumAvg: 4.165 atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } atom: 309 31E-H N 7.83 ambi=1 { N:119.5 } ::sumAvg: 4.73 atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } atom: 311 31E-HB2 B 2.13 ambi=2 { CB:29.9 } :: atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } atom: 312 31E-HB3 B 2.21 ambi=2 { CB:29.9 } ::sumAvg: 4.575 atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } ::sumAvg: 4.73 atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } atom: 267 27A-HB B 1.41 ambi=1 { CB:18 } ::sumAvg: 4.73 atom: 273 28L-HB2 B 1.67 ambi=2 { CB:43.1 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 273 28L-HB2 B 1.67 ambi=2 { CB:43.1 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } :: atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } ::sumAvg: 4.955 atom: 273 28L-HB2 B 1.67 ambi=2 { CB:43.1 } atom: 311 31E-HB2 B 2.13 ambi=2 { CB:29.9 } :: atom: 273 28L-HB2 B 1.67 ambi=2 { CB:43.1 } atom: 312 31E-HB3 B 2.21 ambi=2 { CB:29.9 } :: atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } atom: 311 31E-HB2 B 2.13 ambi=2 { CB:29.9 } :: atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } atom: 312 31E-HB3 B 2.21 ambi=2 { CB:29.9 } ::sumAvg: 4.61 atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } atom: 274 28L-HB3 B 1.11 ambi=2 { CB:43.1 } ::sumAvg: 4.255 atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } atom: 271 28L-H N 7.5 ambi=1 { N:118.3 } :: atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } atom: 271 28L-H N 7.5 ambi=1 { N:118.3 } ::sumAvg: 4.89 atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } ::sumAvg: 4.775 atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } ::sumAvg: 4.775 atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } ::sumAvg: 4.61 atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } ::sumAvg: 4.265 atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } ::sumAvg: 4.265 atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } atom: 319 32L-H N 7.92 ambi=1 { N:122 } ::sumAvg: 4.165 atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } ::sumAvg: 4.69 atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 272 28L-HA A 4.07 ambi=1 { CA:57.6 } ::sumAvg: 4.8 atom: 276 28L-HD1 D1 0.74 ambi=2 { CD1:26.1 } atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } :: atom: 277 28L-HD2 D2 0.86 ambi=2 { CD2:23.1 } atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } ::sumAvg: 4.16 atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } atom: 276 28L-HD1 D1 0.74 ambi=2 { CD1:26.1 } :: atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } atom: 277 28L-HD2 D2 0.86 ambi=2 { CD2:23.1 } ::sumAvg: 4.16 atom: 301 30E-HB2 B 1.88 ambi=2 { CB:29.1 } atom: 284 29F-H N 8.69 ambi=1 { N:119 } :: atom: 302 30E-HB3 B 2.17 ambi=2 { CB:29.1 } atom: 284 29F-H N 8.69 ambi=1 { N:119 } ::sumAvg: 4.695 atom: 303 30E-HG2 G 2.18 ambi=2 { CG:37.9 } atom: 284 29F-H N 8.69 ambi=1 { N:119 } :: atom: 304 30E-HG3 G 2.67 ambi=2 { CG:37.9 } atom: 284 29F-H N 8.69 ambi=1 { N:119 } ::sumAvg: 4.575 atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 284 29F-H N 8.69 ambi=1 { N:119 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 284 29F-H N 8.69 ambi=1 { N:119 } ::sumAvg: 4.23 atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } atom: 284 29F-H N 8.69 ambi=1 { N:119 } :: atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } atom: 284 29F-H N 8.69 ambi=1 { N:119 } ::sumAvg: 4.785 atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } ::sumAvg: 3.575 atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } atom: 300 30E-HA A 3.79 ambi=1 { CA:60.1 } ::sumAvg: 4.875 atom: 300 30E-HA A 3.79 ambi=1 { CA:60.1 } atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } ::sumAvg: 4.875 atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } atom: 309 31E-H N 7.83 ambi=1 { N:119.5 } ::sumAvg: 4.23 atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } ::sumAvg: 3.53 atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } atom: 332 33V-H N 7.46 ambi=1 { N:116 } ::sumAvg: 4.345 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } ::sumAvg: 4.315 atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } ::sumAvg: 4.46 atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } ::sumAvg: 4.46 atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } atom: 416 42T-HG1 G1 5.58 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.86 atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 285 29F-HA A 4.63 ambi=1 { CA:58.7 } ::sumAvg: 4.23 atom: 300 30E-HA A 3.79 ambi=1 { CA:60.1 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 300 30E-HA A 3.79 ambi=1 { CA:60.1 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } ::sumAvg: 4.46 atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } atom: 301 30E-HB2 B 1.88 ambi=2 { CB:29.1 } :: atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } atom: 302 30E-HB3 B 2.17 ambi=2 { CB:29.1 } :: atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } atom: 301 30E-HB2 B 1.88 ambi=2 { CB:29.1 } :: atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } atom: 302 30E-HB3 B 2.17 ambi=2 { CB:29.1 } ::sumAvg: 4.945 atom: 301 30E-HB2 B 1.88 ambi=2 { CB:29.1 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 302 30E-HB3 B 2.17 ambi=2 { CB:29.1 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 301 30E-HB2 B 1.88 ambi=2 { CB:29.1 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } :: atom: 302 30E-HB3 B 2.17 ambi=2 { CB:29.1 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } ::sumAvg: 4.945 atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } atom: 303 30E-HG2 G 2.18 ambi=2 { CG:37.9 } :: atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } atom: 303 30E-HG2 G 2.18 ambi=2 { CG:37.9 } :: atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } atom: 304 30E-HG3 G 2.67 ambi=2 { CG:37.9 } ::sumAvg: 3.605 atom: 303 30E-HG2 G 2.18 ambi=2 { CG:37.9 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 303 30E-HG2 G 2.18 ambi=2 { CG:37.9 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } :: atom: 304 30E-HG3 G 2.67 ambi=2 { CG:37.9 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } ::sumAvg: 3.605 atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } :: atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } :: atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } :: atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } ::sumAvg: 4.335 atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } :: atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } ::sumAvg: 4.335 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } ::sumAvg: 3.915 atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } :: atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } ::sumAvg: 4.255 atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } ::sumAvg: 4.255 atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } :: atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } ::sumAvg: 4.07 atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } atom: 460 46L-HA A 3.66 ambi=1 { CA:57.1 } :: atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } atom: 460 46L-HA A 3.66 ambi=1 { CA:57.1 } ::sumAvg: 3.275 atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } :: atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } ::sumAvg: 4.225 atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 286 29F-HB2 B 3.03 ambi=2 { CB:40.3 } :: atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 287 29F-HB3 B 3.08 ambi=2 { CB:40.3 } ::sumAvg: 4.225 atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } atom: 288 29F-QD D 7 ambi=3 { CD1:130 } ::sumAvg: 4.61 atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 288 29F-QD D 7 ambi=3 { CD1:130 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 288 29F-QD D 7 ambi=3 { CD1:130 } ::sumAvg: 3.56 atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 290 29F-QE E 7.01 ambi=3 { CE1:130.7 } ::sumAvg: 4.995 atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } atom: 292 29F-HZ Z 6.72 ambi=1 { CZ:128.8 } :: atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } atom: 292 29F-HZ Z 6.72 ambi=1 { CZ:128.8 } ::sumAvg: 4.795 atom: 311 31E-HB2 B 2.13 ambi=2 { CB:29.9 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } :: atom: 312 31E-HB3 B 2.21 ambi=2 { CB:29.9 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } ::sumAvg: 4.875 atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } :: atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } ::sumAvg: 4.91 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } ::sumAvg: 4.54 atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } ::sumAvg: 4.595 atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 299 30E-H N 8.99 ambi=1 { N:117.4 } ::sumAvg: 4.925 atom: 300 30E-HA A 3.79 ambi=1 { CA:60.1 } atom: 319 32L-H N 7.92 ambi=1 { N:122 } ::sumAvg: 4.435 atom: 300 30E-HA A 3.79 ambi=1 { CA:60.1 } atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } :: atom: 300 30E-HA A 3.79 ambi=1 { CA:60.1 } atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } ::sumAvg: 4.97 atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } atom: 300 30E-HA A 3.79 ambi=1 { CA:60.1 } :: atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } atom: 300 30E-HA A 3.79 ambi=1 { CA:60.1 } ::sumAvg: 4.97 atom: 300 30E-HA A 3.79 ambi=1 { CA:60.1 } atom: 342 34E-H N 7.21 ambi=1 { N:117.4 } ::sumAvg: 4.255 atom: 300 30E-HA A 3.79 ambi=1 { CA:60.1 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } ::sumAvg: 4.195 atom: 301 30E-HB2 B 1.88 ambi=2 { CB:29.1 } atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } :: atom: 301 30E-HB2 B 1.88 ambi=2 { CB:29.1 } atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } :: atom: 302 30E-HB3 B 2.17 ambi=2 { CB:29.1 } atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } :: atom: 302 30E-HB3 B 2.17 ambi=2 { CB:29.1 } atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } ::sumAvg: 4.925 atom: 301 30E-HB2 B 1.88 ambi=2 { CB:29.1 } atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } :: atom: 301 30E-HB2 B 1.88 ambi=2 { CB:29.1 } atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } :: atom: 302 30E-HB3 B 2.17 ambi=2 { CB:29.1 } atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } :: atom: 302 30E-HB3 B 2.17 ambi=2 { CB:29.1 } atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } ::sumAvg: 4.25 atom: 304 30E-HG3 G 2.67 ambi=2 { CG:37.9 } atom: 334 33V-HB B 2.03 ambi=1 { CB:31.5 } ::sumAvg: 4.93 atom: 303 30E-HG2 G 2.18 ambi=2 { CG:37.9 } atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } :: atom: 304 30E-HG3 G 2.67 ambi=2 { CG:37.9 } atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } ::sumAvg: 4.66 atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 303 30E-HG2 G 2.18 ambi=2 { CG:37.9 } :: atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 304 30E-HG3 G 2.67 ambi=2 { CG:37.9 } ::sumAvg: 4.66 atom: 303 30E-HG2 G 2.18 ambi=2 { CG:37.9 } atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } :: atom: 304 30E-HG3 G 2.67 ambi=2 { CG:37.9 } atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } ::sumAvg: 4.235 atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } atom: 309 31E-H N 7.83 ambi=1 { N:119.5 } :: atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } atom: 309 31E-H N 7.83 ambi=1 { N:119.5 } ::sumAvg: 4.45 atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } atom: 309 31E-H N 7.83 ambi=1 { N:119.5 } ::sumAvg: 4.93 atom: 346 34E-HG2 G 2.21 ambi=2 { CG:36 } atom: 309 31E-H N 7.83 ambi=1 { N:119.5 } :: atom: 347 34E-HG3 G 2.37 ambi=2 { CG:36 } atom: 309 31E-H N 7.83 ambi=1 { N:119.5 } ::sumAvg: 4.47 atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } atom: 311 31E-HB2 B 2.13 ambi=2 { CB:29.9 } :: atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } atom: 312 31E-HB3 B 2.21 ambi=2 { CB:29.9 } ::sumAvg: 4.695 atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } atom: 311 31E-HB2 B 2.13 ambi=2 { CB:29.9 } :: atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } atom: 312 31E-HB3 B 2.21 ambi=2 { CB:29.9 } ::sumAvg: 3.93 atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 311 31E-HB2 B 2.13 ambi=2 { CB:29.9 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 311 31E-HB2 B 2.13 ambi=2 { CB:29.9 } :: atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 312 31E-HB3 B 2.21 ambi=2 { CB:29.9 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 312 31E-HB3 B 2.21 ambi=2 { CB:29.9 } ::sumAvg: 4.625 atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } ::sumAvg: 4.675 atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } ::sumAvg: 4.675 atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } :: atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } ::sumAvg: 4.63 atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } ::sumAvg: 4.63 atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } atom: 352 35T-H N 9.1 ambi=1 { N:109.9 } ::sumAvg: 4.805 atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } atom: 354 35T-HB B 4.31 ambi=1 { CB:69.3 } ::sumAvg: 4.775 atom: 354 35T-HB B 4.31 ambi=1 { CB:69.3 } atom: 313 31E-QG G 2.36 ambi=2 { CG:36.6 } ::sumAvg: 4.775 atom: 334 33V-HB B 2.03 ambi=1 { CB:31.5 } atom: 319 32L-H N 7.92 ambi=1 { N:122 } ::sumAvg: 4.995 atom: 346 34E-HG2 G 2.21 ambi=2 { CG:36 } atom: 319 32L-H N 7.92 ambi=1 { N:122 } :: atom: 347 34E-HG3 G 2.37 ambi=2 { CG:36 } atom: 319 32L-H N 7.92 ambi=1 { N:122 } ::sumAvg: 4.6 atom: 320 32L-HA A 4.13 ambi=1 { CA:58.2 } atom: 333 33V-HA A 3.59 ambi=1 { CA:65.8 } ::sumAvg: 4.845 atom: 355 35T-HG2 G2 1.29 ambi=1 { CG2:20.8 } atom: 320 32L-HA A 4.13 ambi=1 { CA:58.2 } ::sumAvg: 3.42 atom: 320 32L-HA A 4.13 ambi=1 { CA:58.2 } atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } :: atom: 320 32L-HA A 4.13 ambi=1 { CA:58.2 } atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } ::sumAvg: 3.6 atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } atom: 320 32L-HA A 4.13 ambi=1 { CA:58.2 } :: atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } atom: 320 32L-HA A 4.13 ambi=1 { CA:58.2 } ::sumAvg: 3.6 atom: 320 32L-HA A 4.13 ambi=1 { CA:58.2 } atom: 416 42T-HG1 G1 5.58 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.445 atom: 320 32L-HA A 4.13 ambi=1 { CA:58.2 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } ::sumAvg: 4.345 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } :: atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } ::sumAvg: 3.52 atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } :: atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } ::sumAvg: 4.075 atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } :: atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } ::sumAvg: 3.47 atom: 321 32L-HB2 B 1.63 ambi=2 { CB:43 } atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } :: atom: 322 32L-HB3 B 2.28 ambi=2 { CB:43 } atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } ::sumAvg: 3.76 atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } atom: 416 42T-HG1 G1 5.58 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.615 atom: 323 32L-HG G 1.66 ambi=1 { CG:28.3 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } ::sumAvg: 4.155 atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 360 36D-H N 8.63 ambi=1 { N:122.8 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 360 36D-H N 8.63 ambi=1 { N:122.8 } ::sumAvg: 4.75 atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } :: atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } ::sumAvg: 3.32 atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } :: atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } ::sumAvg: 3.515 atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } :: atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } ::sumAvg: 3.515 atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } ::sumAvg: 3.25 atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } ::sumAvg: 3.265 atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } ::sumAvg: 4.145 atom: 324 32L-HD1 D1 0.99 ambi=2 { CD1:24.4 } atom: 413 42T-H N 7.15 ambi=1 { N:111.9 } :: atom: 325 32L-HD2 D2 0.88 ambi=2 { CD2:24.7 } atom: 413 42T-H N 7.15 ambi=1 { N:111.9 } ::sumAvg: 4.28 atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } atom: 332 33V-H N 7.46 ambi=1 { N:116 } ::sumAvg: 4.98 atom: 343 34E-HA A 4.13 ambi=1 { CA:58.5 } atom: 333 33V-HA A 3.59 ambi=1 { CA:65.8 } ::sumAvg: 4.775 atom: 333 33V-HA A 3.59 ambi=1 { CA:65.8 } atom: 352 35T-H N 9.1 ambi=1 { N:109.9 } ::sumAvg: 4.715 atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } atom: 333 33V-HA A 3.59 ambi=1 { CA:65.8 } :: atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } atom: 333 33V-HA A 3.59 ambi=1 { CA:65.8 } ::sumAvg: 4.84 atom: 333 33V-HA A 3.59 ambi=1 { CA:65.8 } atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } ::sumAvg: 4.775 atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 333 33V-HA A 3.59 ambi=1 { CA:65.8 } ::sumAvg: 4.775 atom: 333 33V-HA A 3.59 ambi=1 { CA:65.8 } atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } ::sumAvg: 3.92 atom: 343 34E-HA A 4.13 ambi=1 { CA:58.5 } atom: 334 33V-HB B 2.03 ambi=1 { CB:31.5 } ::sumAvg: 4.33 atom: 346 34E-HG2 G 2.21 ambi=2 { CG:36 } atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } :: atom: 347 34E-HG3 G 2.37 ambi=2 { CG:36 } atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } :: atom: 346 34E-HG2 G 2.21 ambi=2 { CG:36 } atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } :: atom: 347 34E-HG3 G 2.37 ambi=2 { CG:36 } atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } ::sumAvg: 4.925 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 416 42T-HG1 G1 5.58 ambi=1 {attached_atom is not_assigned} :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 416 42T-HG1 G1 5.58 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.02 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 422 43Y-H N 7.04 ambi=1 { N:113.5 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 422 43Y-H N 7.04 ambi=1 { N:113.5 } ::sumAvg: 4.285 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 423 43Y-HA A 3.46 ambi=1 { CA:64.1 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 423 43Y-HA A 3.46 ambi=1 { CA:64.1 } ::sumAvg: 3.47 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } :: atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } ::sumAvg: 4.825 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } ::sumAvg: 3.305 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } ::sumAvg: 3.885 atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } ::sumAvg: 4.37 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } ::sumAvg: 2.035 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } ::sumAvg: 4.895 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 654 65Q-HB2 B 2.33 ambi=2 { CB:28.5 } :: atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 655 65Q-HB3 B 2.13 ambi=2 { CB:28.5 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 654 65Q-HB2 B 2.33 ambi=2 { CB:28.5 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 655 65Q-HB3 B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 4.085 atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 656 65Q-HG2 G 2.42 ambi=2 { CG:33.9 } :: atom: 335 33V-HG1 G1 0.92 ambi=2 { CG1:21.5 } atom: 657 65Q-HG3 G 2.5 ambi=2 { CG:33.9 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 656 65Q-HG2 G 2.42 ambi=2 { CG:33.9 } :: atom: 336 33V-HG2 G2 0.75 ambi=2 { CG2:22.1 } atom: 657 65Q-HG3 G 2.5 ambi=2 { CG:33.9 } ::sumAvg: 4.145 atom: 343 34E-HA A 4.13 ambi=1 { CA:58.5 } atom: 372 37P-HD2 D 3.34 ambi=2 { CD:50.4 } :: atom: 343 34E-HA A 4.13 ambi=1 { CA:58.5 } atom: 373 37P-HD3 D 3.67 ambi=2 { CD:50.4 } ::sumAvg: 4.835 atom: 346 34E-HG2 G 2.21 ambi=2 { CG:36 } atom: 360 36D-H N 8.63 ambi=1 { N:122.8 } :: atom: 347 34E-HG3 G 2.37 ambi=2 { CG:36 } atom: 360 36D-H N 8.63 ambi=1 { N:122.8 } ::sumAvg: 4.79 atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } atom: 352 35T-H N 9.1 ambi=1 { N:109.9 } :: atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } atom: 352 35T-H N 9.1 ambi=1 { N:109.9 } ::sumAvg: 4.94 atom: 372 37P-HD2 D 3.34 ambi=2 { CD:50.4 } atom: 352 35T-H N 9.1 ambi=1 { N:109.9 } :: atom: 373 37P-HD3 D 3.67 ambi=2 { CD:50.4 } atom: 352 35T-H N 9.1 ambi=1 { N:109.9 } ::sumAvg: 4.955 atom: 353 35T-HA A 4.18 ambi=1 { CA:63.9 } atom: 361 36D-HA A 5.3 ambi=1 { CA:52.7 } ::sumAvg: 4.65 atom: 361 36D-HA A 5.3 ambi=1 { CA:52.7 } atom: 353 35T-HA A 4.18 ambi=1 { CA:63.9 } ::sumAvg: 4.65 atom: 354 35T-HB B 4.31 ambi=1 { CB:69.3 } atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } :: atom: 354 35T-HB B 4.31 ambi=1 { CB:69.3 } atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } ::sumAvg: 4.74 atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } atom: 354 35T-HB B 4.31 ambi=1 { CB:69.3 } :: atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } atom: 354 35T-HB B 4.31 ambi=1 { CB:69.3 } ::sumAvg: 4.74 atom: 355 35T-HG2 G2 1.29 ambi=1 { CG2:20.8 } atom: 361 36D-HA A 5.3 ambi=1 { CA:52.7 } ::sumAvg: 4.78 atom: 361 36D-HA A 5.3 ambi=1 { CA:52.7 } atom: 355 35T-HG2 G2 1.29 ambi=1 { CG2:20.8 } ::sumAvg: 4.78 atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } atom: 355 35T-HG2 G2 1.29 ambi=1 { CG2:20.8 } :: atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } atom: 355 35T-HG2 G2 1.29 ambi=1 { CG2:20.8 } ::sumAvg: 4.11 atom: 361 36D-HA A 5.3 ambi=1 { CA:52.7 } atom: 367 37P-HA A 4.56 ambi=1 { CA:64.4 } ::sumAvg: 4.65 atom: 367 37P-HA A 4.56 ambi=1 { CA:64.4 } atom: 361 36D-HA A 5.3 ambi=1 { CA:52.7 } ::sumAvg: 4.65 atom: 361 36D-HA A 5.3 ambi=1 { CA:52.7 } atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } ::sumAvg: 4.855 atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } atom: 361 36D-HA A 5.3 ambi=1 { CA:52.7 } ::sumAvg: 4.855 atom: 361 36D-HA A 5.3 ambi=1 { CA:52.7 } atom: 385 39Y-H N 8.11 ambi=1 { N:123.7 } ::sumAvg: 4.615 atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } atom: 372 37P-HD2 D 3.34 ambi=2 { CD:50.4 } :: atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } atom: 373 37P-HD3 D 3.67 ambi=2 { CD:50.4 } :: atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } atom: 372 37P-HD2 D 3.34 ambi=2 { CD:50.4 } :: atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } atom: 373 37P-HD3 D 3.67 ambi=2 { CD:50.4 } ::sumAvg: 4.54 atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } atom: 389 39Y-QD D 7.25 ambi=3 { CD1:133.4 } :: atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } atom: 389 39Y-QD D 7.25 ambi=3 { CD1:133.4 } ::sumAvg: 4.205 atom: 362 36D-HB2 B 2.67 ambi=2 { CB:42.4 } atom: 416 42T-HG1 G1 5.58 ambi=1 {attached_atom is not_assigned} :: atom: 363 36D-HB3 B 2.52 ambi=2 { CB:42.4 } atom: 416 42T-HG1 G1 5.58 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.505 atom: 367 37P-HA A 4.56 ambi=1 { CA:64.4 } atom: 385 39Y-H N 8.11 ambi=1 { N:123.7 } ::sumAvg: 3.85 atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } atom: 369 37P-HB3 B 2.03 ambi=2 { CB:31.1 } ::sumAvg: 4.725 atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } atom: 370 37P-HG2 G 2.09 ambi=2 { CG:27.1 } :: atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } atom: 371 37P-HG3 G 1.94 ambi=2 { CG:27.1 } ::sumAvg: 4.925 atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } atom: 372 37P-HD2 D 3.34 ambi=2 { CD:50.4 } :: atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } atom: 373 37P-HD3 D 3.67 ambi=2 { CD:50.4 } ::sumAvg: 4.015 atom: 386 39Y-HA A 4.54 ambi=1 { CA:58.5 } atom: 378 38D-H N 8.63 ambi=1 { N:113.7 } ::sumAvg: 4.91 atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 378 38D-H N 8.63 ambi=1 { N:113.7 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 378 38D-H N 8.63 ambi=1 { N:113.7 } ::sumAvg: 4.515 atom: 696 69V-HG1 G1 0.9 ambi=2 { CG1:20.9 } atom: 378 38D-H N 8.63 ambi=1 { N:113.7 } :: atom: 697 69V-HG2 G2 1 ambi=2 { CG2:21.5 } atom: 378 38D-H N 8.63 ambi=1 { N:113.7 } ::sumAvg: 4.36 atom: 379 38D-HA A 4.57 ambi=1 { CA:53.8 } atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } :: atom: 379 38D-HA A 4.57 ambi=1 { CA:53.8 } atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } ::sumAvg: 4.09 atom: 379 38D-HA A 4.57 ambi=1 { CA:53.8 } atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } ::sumAvg: 3.94 atom: 379 38D-HA A 4.57 ambi=1 { CA:53.8 } atom: 694 69V-HA A 3.74 ambi=1 { CA:65.7 } ::sumAvg: 4.785 atom: 694 69V-HA A 3.74 ambi=1 { CA:65.7 } atom: 379 38D-HA A 4.57 ambi=1 { CA:53.8 } ::sumAvg: 4.785 atom: 695 69V-HB B 1.87 ambi=1 { CB:32 } atom: 379 38D-HA A 4.57 ambi=1 { CA:53.8 } ::sumAvg: 2.705 atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } ::sumAvg: 4.825 atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } ::sumAvg: 4.825 atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } :: atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } ::sumAvg: 4.575 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } ::sumAvg: 4.575 atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } atom: 695 69V-HB B 1.87 ambi=1 { CB:32 } ::sumAvg: 3.84 atom: 695 69V-HB B 1.87 ambi=1 { CB:32 } atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } ::sumAvg: 3.84 atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } atom: 736 73E-HB2 B 2.32 ambi=2 { CB:30.8 } :: atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } atom: 737 73E-HB3 B 1.78 ambi=2 { CB:30.8 } ::sumAvg: 3.94 atom: 736 73E-HB2 B 2.32 ambi=2 { CB:30.8 } atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } :: atom: 737 73E-HB3 B 1.78 ambi=2 { CB:30.8 } atom: 380 38D-QB B 2.73 ambi=2 { CB:39.5 } ::sumAvg: 3.94 atom: 399 40V-HA A 3.77 ambi=1 { CA:65 } atom: 385 39Y-H N 8.11 ambi=1 { N:123.7 } ::sumAvg: 4.9 atom: 386 39Y-HA A 4.54 ambi=1 { CA:58.5 } atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } ::sumAvg: 4.425 atom: 386 39Y-HA A 4.54 ambi=1 { CA:58.5 } atom: 413 42T-H N 7.15 ambi=1 { N:111.9 } ::sumAvg: 4.61 atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } ::sumAvg: 4.445 atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 398 40V-H N 7.88 ambi=1 { N:128.1 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 398 40V-H N 7.88 ambi=1 { N:128.1 } ::sumAvg: 4.345 atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 409 41G-H N 7.53 ambi=1 { N:105.9 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 409 41G-H N 7.53 ambi=1 { N:105.9 } ::sumAvg: 4.745 atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } ::sumAvg: 3.29 atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } ::sumAvg: 3.29 atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 413 42T-H N 7.15 ambi=1 { N:111.9 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 413 42T-H N 7.15 ambi=1 { N:111.9 } ::sumAvg: 3.685 atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } ::sumAvg: 4.12 atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } ::sumAvg: 4.885 atom: 387 39Y-HB2 B 2.84 ambi=2 { CB:36.5 } atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } :: atom: 388 39Y-HB3 B 3.47 ambi=2 { CB:36.5 } atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } ::sumAvg: 4.475 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 389 39Y-QD D 7.25 ambi=3 { CD1:133.4 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 389 39Y-QD D 7.25 ambi=3 { CD1:133.4 } ::sumAvg: 4.94 atom: 410 41G-HA3 A 3.88 ambi=2 { CA:46.4 } atom: 389 39Y-QD D 7.25 ambi=3 { CD1:133.4 } :: atom: 408 41G-HA2 A 3.41 ambi=2 { CA:46.4 } atom: 389 39Y-QD D 7.25 ambi=3 { CD1:133.4 } ::sumAvg: 4.055 atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } atom: 391 39Y-QE E 6.35 ambi=3 { CE1:117.4 } ::sumAvg: 4.98 atom: 736 73E-HB2 B 2.32 ambi=2 { CB:30.8 } atom: 398 40V-H N 7.88 ambi=1 { N:128.1 } :: atom: 737 73E-HB3 B 1.78 ambi=2 { CB:30.8 } atom: 398 40V-H N 7.88 ambi=1 { N:128.1 } ::sumAvg: 4.795 atom: 399 40V-HA A 3.77 ambi=1 { CA:65 } atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } ::sumAvg: 4.655 atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } atom: 399 40V-HA A 3.77 ambi=1 { CA:65 } ::sumAvg: 4.655 atom: 399 40V-HA A 3.77 ambi=1 { CA:65 } atom: 413 42T-H N 7.15 ambi=1 { N:111.9 } ::sumAvg: 4.19 atom: 399 40V-HA A 3.77 ambi=1 { CA:65 } atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } :: atom: 399 40V-HA A 3.77 ambi=1 { CA:65 } atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } ::sumAvg: 3.925 atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } atom: 399 40V-HA A 3.77 ambi=1 { CA:65 } :: atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } atom: 399 40V-HA A 3.77 ambi=1 { CA:65 } ::sumAvg: 3.925 atom: 399 40V-HA A 3.77 ambi=1 { CA:65 } atom: 705 70A-HB B 1.26 ambi=1 { CB:18 } ::sumAvg: 4.515 atom: 399 40V-HA A 3.77 ambi=1 { CA:65 } atom: 828 82L-HD1 D1 0.73 ambi=2 { CD1:25.1 } :: atom: 399 40V-HA A 3.77 ambi=1 { CA:65 } atom: 829 82L-HD2 D2 1.24 ambi=2 { CD2:23.9 } ::sumAvg: 3.795 atom: 410 41G-HA3 A 3.88 ambi=2 { CA:46.4 } atom: 400 40V-HB B 1.87 ambi=1 { CB:32.5 } :: atom: 408 41G-HA2 A 3.41 ambi=2 { CA:46.4 } atom: 400 40V-HB B 1.87 ambi=1 { CB:32.5 } ::sumAvg: 4.155 atom: 744 74G-HA2 A 4.45 ambi=2 { CA:44.6 } atom: 400 40V-HB B 1.87 ambi=1 { CB:32.5 } :: atom: 746 74G-HA3 A 3.83 ambi=2 { CA:44.6 } atom: 400 40V-HB B 1.87 ambi=1 { CB:32.5 } ::sumAvg: 3.96 atom: 400 40V-HB B 1.87 ambi=1 { CB:32.5 } atom: 745 74G-H N 8.07 ambi=1 { N:108.1 } ::sumAvg: 4.985 atom: 400 40V-HB B 1.87 ambi=1 { CB:32.5 } atom: 788 78D-HB2 B 2.39 ambi=2 { CB:41.4 } :: atom: 400 40V-HB B 1.87 ambi=1 { CB:32.5 } atom: 789 78D-HB3 B 2.65 ambi=2 { CB:41.4 } ::sumAvg: 3.64 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 422 43Y-H N 7.04 ambi=1 { N:113.5 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 422 43Y-H N 7.04 ambi=1 { N:113.5 } ::sumAvg: 4.405 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } :: atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } ::sumAvg: 3.59 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } ::sumAvg: 4.15 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 437 44Y-HB2 B 2.54 ambi=2 { CB:38.8 } :: atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 437 44Y-HB2 B 2.54 ambi=2 { CB:38.8 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } ::sumAvg: 4.19 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } :: atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } ::sumAvg: 3.645 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } ::sumAvg: 4.775 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 693 69V-H N 7.44 ambi=1 { N:119.5 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 693 69V-H N 7.44 ambi=1 { N:119.5 } ::sumAvg: 4.55 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 734 73E-H N 8.49 ambi=1 { N:115 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 734 73E-H N 8.49 ambi=1 { N:115 } ::sumAvg: 3.95 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 749 75T-H N 8.76 ambi=1 { N:111.4 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 749 75T-H N 8.76 ambi=1 { N:111.4 } ::sumAvg: 4.475 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 786 78D-H N 7.39 ambi=1 { N:117.8 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 786 78D-H N 7.39 ambi=1 { N:117.8 } ::sumAvg: 4.805 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } ::sumAvg: 3.815 atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } atom: 793 79L-H N 7.69 ambi=1 { N:118.4 } :: atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } atom: 793 79L-H N 7.69 ambi=1 { N:118.4 } ::sumAvg: 4.375 atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 401 40V-HG1 G1 0.81 ambi=2 { CG1:20.3 } :: atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 402 40V-HG2 G2 0.92 ambi=2 { CG2:23.1 } ::sumAvg: 3.62 atom: 410 41G-HA3 A 3.88 ambi=2 { CA:46.4 } atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } :: atom: 408 41G-HA2 A 3.41 ambi=2 { CA:46.4 } atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } ::sumAvg: 3.91 atom: 410 41G-HA3 A 3.88 ambi=2 { CA:46.4 } atom: 437 44Y-HB2 B 2.54 ambi=2 { CB:38.8 } :: atom: 410 41G-HA3 A 3.88 ambi=2 { CA:46.4 } atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } :: atom: 408 41G-HA2 A 3.41 ambi=2 { CA:46.4 } atom: 437 44Y-HB2 B 2.54 ambi=2 { CB:38.8 } :: atom: 408 41G-HA2 A 3.41 ambi=2 { CA:46.4 } atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } ::sumAvg: 3.645 atom: 410 41G-HA3 A 3.88 ambi=2 { CA:46.4 } atom: 828 82L-HD1 D1 0.73 ambi=2 { CD1:25.1 } :: atom: 410 41G-HA3 A 3.88 ambi=2 { CA:46.4 } atom: 829 82L-HD2 D2 1.24 ambi=2 { CD2:23.9 } :: atom: 408 41G-HA2 A 3.41 ambi=2 { CA:46.4 } atom: 828 82L-HD1 D1 0.73 ambi=2 { CD1:25.1 } :: atom: 408 41G-HA2 A 3.41 ambi=2 { CA:46.4 } atom: 829 82L-HD2 D2 1.24 ambi=2 { CD2:23.9 } ::sumAvg: 4.97 atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } ::sumAvg: 4.865 atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } ::sumAvg: 4.07 atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 414 42T-HA A 3.58 ambi=1 { CA:65.6 } ::sumAvg: 4.33 atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } ::sumAvg: 4.05 atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } :: atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } atom: 415 42T-HB B 3.27 ambi=1 { CB:68.9 } ::sumAvg: 4.85 atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } atom: 413 42T-H N 7.15 ambi=1 { N:111.9 } :: atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } atom: 413 42T-H N 7.15 ambi=1 { N:111.9 } ::sumAvg: 4.99 atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } :: atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } ::sumAvg: 4.89 atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } ::sumAvg: 4.05 atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } ::sumAvg: 4.44 atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } atom: 448 45H-H N 6.38 ambi=1 { N:114.5 } ::sumAvg: 4.995 atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } ::sumAvg: 4.715 atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } :: atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } atom: 417 42T-HG2 G2 1.08 ambi=1 { CG2:25.5 } ::sumAvg: 4.715 atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 422 43Y-H N 7.04 ambi=1 { N:113.5 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 422 43Y-H N 7.04 ambi=1 { N:113.5 } ::sumAvg: 4.81 atom: 423 43Y-HA A 3.46 ambi=1 { CA:64.1 } atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } ::sumAvg: 4.86 atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } atom: 423 43Y-HA A 3.46 ambi=1 { CA:64.1 } ::sumAvg: 4.86 atom: 423 43Y-HA A 3.46 ambi=1 { CA:64.1 } atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } ::sumAvg: 4.59 atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 423 43Y-HA A 3.46 ambi=1 { CA:64.1 } ::sumAvg: 4.59 atom: 423 43Y-HA A 3.46 ambi=1 { CA:64.1 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } ::sumAvg: 4.765 atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 423 43Y-HA A 3.46 ambi=1 { CA:64.1 } ::sumAvg: 4.765 atom: 828 82L-HD1 D1 0.73 ambi=2 { CD1:25.1 } atom: 423 43Y-HA A 3.46 ambi=1 { CA:64.1 } :: atom: 829 82L-HD2 D2 1.24 ambi=2 { CD2:23.9 } atom: 423 43Y-HA A 3.46 ambi=1 { CA:64.1 } ::sumAvg: 4.42 atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } :: atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } ::sumAvg: 4.435 atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } :: atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } :: atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } :: atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } ::sumAvg: 4.9 atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } :: atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } ::sumAvg: 4.685 atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } :: atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } ::sumAvg: 4.685 atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } :: atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } ::sumAvg: 4.715 atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } atom: 633 63Y-H N 8.97 ambi=1 { N:121.7 } :: atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } atom: 633 63Y-H N 8.97 ambi=1 { N:121.7 } ::sumAvg: 4.88 atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } atom: 654 65Q-HB2 B 2.33 ambi=2 { CB:28.5 } :: atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } atom: 655 65Q-HB3 B 2.13 ambi=2 { CB:28.5 } :: atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } atom: 654 65Q-HB2 B 2.33 ambi=2 { CB:28.5 } :: atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } atom: 655 65Q-HB3 B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 4.66 atom: 654 65Q-HB2 B 2.33 ambi=2 { CB:28.5 } atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } :: atom: 655 65Q-HB3 B 2.13 ambi=2 { CB:28.5 } atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } :: atom: 654 65Q-HB2 B 2.33 ambi=2 { CB:28.5 } atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } :: atom: 655 65Q-HB3 B 2.13 ambi=2 { CB:28.5 } atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } ::sumAvg: 4.66 atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 424 43Y-HB2 B 2.93 ambi=2 { CB:38.3 } :: atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 425 43Y-HB3 B 3.02 ambi=2 { CB:38.3 } ::sumAvg: 4.96 atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } ::sumAvg: 4.725 atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } :: atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } ::sumAvg: 3.875 atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } ::sumAvg: 4.5 atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } ::sumAvg: 4.585 atom: 656 65Q-HG2 G 2.42 ambi=2 { CG:33.9 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } :: atom: 657 65Q-HG3 G 2.5 ambi=2 { CG:33.9 } atom: 426 43Y-QD D 7.56 ambi=3 { CD1:132.9 } ::sumAvg: 4.95 atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } :: atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } atom: 428 43Y-QE E 6.88 ambi=3 { CE1:118.4 } ::sumAvg: 4.525 atom: 628 62T-HG2 G2 1.35 ambi=1 { CG2:22.3 } atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } ::sumAvg: 4.55 atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 435 44Y-H N 9.77 ambi=1 { N:119.8 } ::sumAvg: 4.73 atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } ::sumAvg: 4.58 atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } :: atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } ::sumAvg: 4.24 atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } :: atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } ::sumAvg: 4.24 atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } atom: 477 48K-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 4.295 atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } atom: 481 48K-HG2 G 0.85 ambi=2 { CG:23.4 } :: atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } atom: 482 48K-HG3 G 1.17 ambi=2 { CG:23.4 } ::sumAvg: 3.81 atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } atom: 628 62T-HG2 G2 1.35 ambi=1 { CG2:22.3 } ::sumAvg: 4.63 atom: 628 62T-HG2 G2 1.35 ambi=1 { CG2:22.3 } atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } ::sumAvg: 4.63 atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } ::sumAvg: 4.72 atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } ::sumAvg: 4.59 atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 436 44Y-HA A 3.99 ambi=1 { CA:61.9 } ::sumAvg: 4.59 atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } ::sumAvg: 4.4 atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } ::sumAvg: 4.4 atom: 437 44Y-HB2 B 2.54 ambi=2 { CB:38.8 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } :: atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } ::sumAvg: 4.745 atom: 437 44Y-HB2 B 2.54 ambi=2 { CB:38.8 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } :: atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } ::sumAvg: 4.71 atom: 437 44Y-HB2 B 2.54 ambi=2 { CB:38.8 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } :: atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } ::sumAvg: 4.44 atom: 815 81E-HB2 B 1.89 ambi=2 { CB:29 } atom: 437 44Y-HB2 B 2.54 ambi=2 { CB:38.8 } :: atom: 816 81E-HB3 B 1.98 ambi=2 { CB:29 } atom: 437 44Y-HB2 B 2.54 ambi=2 { CB:38.8 } :: atom: 815 81E-HB2 B 1.89 ambi=2 { CB:29 } atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } :: atom: 816 81E-HB3 B 1.98 ambi=2 { CB:29 } atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } ::sumAvg: 4.525 atom: 437 44Y-HB2 B 2.54 ambi=2 { CB:38.8 } atom: 824 82L-HA A 3.89 ambi=1 { CA:57.9 } :: atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } atom: 824 82L-HA A 3.89 ambi=1 { CA:57.9 } ::sumAvg: 4.75 atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 437 44Y-HB2 B 2.54 ambi=2 { CB:38.8 } :: atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 438 44Y-HB3 B 3.01 ambi=2 { CB:38.8 } ::sumAvg: 3.535 atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } :: atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } ::sumAvg: 4.865 atom: 483 48K-HD2 D 1.36 ambi=2 { CD:28.2 } atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } :: atom: 484 48K-HD3 D 1.51 ambi=2 { CD:28.2 } atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } ::sumAvg: 4.53 atom: 815 81E-HB2 B 1.89 ambi=2 { CB:29 } atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } :: atom: 816 81E-HB3 B 1.98 ambi=2 { CB:29 } atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } ::sumAvg: 3.245 atom: 825 82L-HB2 B 1.98 ambi=2 { CB:43.9 } atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } :: atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } atom: 439 44Y-QD D 6.03 ambi=3 { CD1:132.1 } ::sumAvg: 4.915 atom: 449 45H-HA A 3.77 ambi=1 { CA:58.5 } atom: 441 44Y-QE E 6.54 ambi=3 { CE1:118.3 } ::sumAvg: 4.835 atom: 483 48K-HD2 D 1.36 ambi=2 { CD:28.2 } atom: 441 44Y-QE E 6.54 ambi=3 { CE1:118.3 } :: atom: 484 48K-HD3 D 1.51 ambi=2 { CD:28.2 } atom: 441 44Y-QE E 6.54 ambi=3 { CE1:118.3 } ::sumAvg: 3.86 atom: 851 84D-HB2 B 2.57 ambi=2 { CB:41 } atom: 441 44Y-QE E 6.54 ambi=3 { CE1:118.3 } :: atom: 852 84D-HB3 B 2.73 ambi=2 { CB:41 } atom: 441 44Y-QE E 6.54 ambi=3 { CE1:118.3 } ::sumAvg: 4.835 atom: 814 81E-HA A 4.03 ambi=1 { CA:59 } atom: 441 44Y-QE E 6.54 ambi=3 { CE1:118.3 } ::sumAvg: 4.12 atom: 815 81E-HB2 B 1.89 ambi=2 { CB:29 } atom: 441 44Y-QE E 6.54 ambi=3 { CE1:118.3 } :: atom: 816 81E-HB3 B 1.98 ambi=2 { CB:29 } atom: 441 44Y-QE E 6.54 ambi=3 { CE1:118.3 } ::sumAvg: 2.85 atom: 824 82L-HA A 3.89 ambi=1 { CA:57.9 } atom: 441 44Y-QE E 6.54 ambi=3 { CE1:118.3 } ::sumAvg: 4.135 atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 448 45H-H N 6.38 ambi=1 { N:114.5 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 448 45H-H N 6.38 ambi=1 { N:114.5 } ::sumAvg: 4.74 atom: 828 82L-HD1 D1 0.73 ambi=2 { CD1:25.1 } atom: 448 45H-H N 6.38 ambi=1 { N:114.5 } :: atom: 829 82L-HD2 D2 1.24 ambi=2 { CD2:23.9 } atom: 448 45H-H N 6.38 ambi=1 { N:114.5 } ::sumAvg: 4.58 atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 453 45H-HE1 E1 7.95 ambi=1 { CE1:139.2 } :: atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } atom: 453 45H-HE1 E1 7.95 ambi=1 { CE1:139.2 } ::sumAvg: 4.73 atom: 460 46L-HA A 3.66 ambi=1 { CA:57.1 } atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 460 46L-HA A 3.66 ambi=1 { CA:57.1 } atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } ::sumAvg: 4.61 atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } :: atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } :: atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } :: atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } ::sumAvg: 4.675 atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } ::sumAvg: 4.675 atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } atom: 479 48K-HB2 B 1.5 ambi=2 { CB:31.6 } :: atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } atom: 479 48K-HB2 B 1.5 ambi=2 { CB:31.6 } :: atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } atom: 480 48K-HB3 B 1.83 ambi=2 { CB:31.6 } ::sumAvg: 4.63 atom: 479 48K-HB2 B 1.5 ambi=2 { CB:31.6 } atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 479 48K-HB2 B 1.5 ambi=2 { CB:31.6 } atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } :: atom: 480 48K-HB3 B 1.83 ambi=2 { CB:31.6 } atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } ::sumAvg: 4.63 atom: 495 49L-HB2 B 1.61 ambi=2 { CB:41 } atom: 450 45H-HB2 B 2.17 ambi=2 { CB:31.6 } :: atom: 495 49L-HB2 B 1.61 ambi=2 { CB:41 } atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } :: atom: 496 49L-HB3 B 1.86 ambi=2 { CB:41 } atom: 451 45H-HB3 B 2.66 ambi=2 { CB:31.6 } ::sumAvg: 4.945 atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } ::sumAvg: 4.46 atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } :: atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } atom: 459 46L-H N 8.36 ambi=1 { N:121.1 } ::sumAvg: 4.79 atom: 460 46L-HA A 3.66 ambi=1 { CA:57.1 } atom: 477 48K-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 4.56 atom: 497 49L-HG G 1.6 ambi=1 { CG:27 } atom: 460 46L-HA A 3.66 ambi=1 { CA:57.1 } ::sumAvg: 4.93 atom: 460 46L-HA A 3.66 ambi=1 { CA:57.1 } atom: 506 50Y-H N 8.61 ambi=1 { N:119 } ::sumAvg: 4.295 atom: 628 62T-HG2 G2 1.35 ambi=1 { CG2:22.3 } atom: 460 46L-HA A 3.66 ambi=1 { CA:57.1 } ::sumAvg: 4.515 atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } :: atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } ::sumAvg: 4.41 atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } ::sumAvg: 4.715 atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } ::sumAvg: 4.405 atom: 461 46L-HB2 B 0.79 ambi=2 { CB:40.8 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } :: atom: 462 46L-HB3 B 1.48 ambi=2 { CB:40.8 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } ::sumAvg: 4.69 atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } :: atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } ::sumAvg: 3.73 atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } :: atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } ::sumAvg: 3.73 atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 473 47G-H N 8.44 ambi=1 { N:106.5 } ::sumAvg: 3.775 atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 495 49L-HB2 B 1.61 ambi=2 { CB:41 } :: atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 496 49L-HB3 B 1.86 ambi=2 { CB:41 } ::sumAvg: 4.855 atom: 495 49L-HB2 B 1.61 ambi=2 { CB:41 } atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } :: atom: 496 49L-HB3 B 1.86 ambi=2 { CB:41 } atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } ::sumAvg: 4.855 atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 506 50Y-H N 8.61 ambi=1 { N:119 } ::sumAvg: 4.775 atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } :: atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } ::sumAvg: 4.935 atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } :: atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } ::sumAvg: 4.935 atom: 463 46L-HG G 1.17 ambi=1 { CG:26.7 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } ::sumAvg: 4.315 atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } atom: 507 50Y-HA A 4.42 ambi=1 { CA:59.6 } :: atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } atom: 507 50Y-HA A 4.42 ambi=1 { CA:59.6 } ::sumAvg: 4.96 atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } :: atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } :: atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } :: atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } ::sumAvg: 4.86 atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } :: atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } :: atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } :: atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } ::sumAvg: 4.86 atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } :: atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } ::sumAvg: 4.375 atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 464 46L-HD1 D1 0.39 ambi=2 { CD1:21.6 } :: atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 465 46L-HD2 D2 0.7 ambi=2 { CD2:25.8 } ::sumAvg: 4.375 atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } atom: 481 48K-HG2 G 0.85 ambi=2 { CG:23.4 } :: atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } atom: 482 48K-HG3 G 1.17 ambi=2 { CG:23.4 } :: atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } atom: 481 48K-HG2 G 0.85 ambi=2 { CG:23.4 } :: atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } atom: 482 48K-HG3 G 1.17 ambi=2 { CG:23.4 } ::sumAvg: 4.455 atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } atom: 493 49L-H N 7.8 ambi=1 { N:124 } :: atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } atom: 493 49L-H N 7.8 ambi=1 { N:124 } ::sumAvg: 4.31 atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } atom: 523 51E-HG2 G 1.89 ambi=2 { CG:38.4 } :: atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } atom: 524 51E-HG3 G 2.65 ambi=2 { CG:38.4 } :: atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } atom: 523 51E-HG2 G 1.89 ambi=2 { CG:38.4 } :: atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } atom: 524 51E-HG3 G 2.65 ambi=2 { CG:38.4 } ::sumAvg: 4.5 atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } atom: 599 59A-H N 8.11 ambi=1 { N:124.7 } :: atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } atom: 599 59A-H N 8.11 ambi=1 { N:124.7 } ::sumAvg: 4.785 atom: 474 47G-HA3 A 3.53 ambi=2 { CA:47.2 } atom: 633 63Y-H N 8.97 ambi=1 { N:121.7 } :: atom: 472 47G-HA2 A 3.35 ambi=2 { CA:47.2 } atom: 633 63Y-H N 8.97 ambi=1 { N:121.7 } ::sumAvg: 4.565 atom: 479 48K-HB2 B 1.5 ambi=2 { CB:31.6 } atom: 473 47G-H N 8.44 ambi=1 { N:106.5 } :: atom: 480 48K-HB3 B 1.83 ambi=2 { CB:31.6 } atom: 473 47G-H N 8.44 ambi=1 { N:106.5 } ::sumAvg: 4.705 atom: 478 48K-HA A 3.8 ambi=1 { CA:58.2 } atom: 506 50Y-H N 8.61 ambi=1 { N:119 } ::sumAvg: 4.465 atom: 533 52R-HG2 G 1.67 ambi=2 { CG:26.9 } atom: 478 48K-HA A 3.8 ambi=1 { CA:58.2 } :: atom: 534 52R-HG3 G 1.9 ambi=2 { CG:26.9 } atom: 478 48K-HA A 3.8 ambi=1 { CA:58.2 } ::sumAvg: 4.725 atom: 478 48K-HA A 3.8 ambi=1 { CA:58.2 } atom: 858 85A-HB B 0.78 ambi=1 { CB:16.2 } ::sumAvg: 4.845 atom: 479 48K-HB2 B 1.5 ambi=2 { CB:31.6 } atom: 494 49L-HA A 4.17 ambi=1 { CA:57.5 } :: atom: 480 48K-HB3 B 1.83 ambi=2 { CB:31.6 } atom: 494 49L-HA A 4.17 ambi=1 { CA:57.5 } ::sumAvg: 4.365 atom: 479 48K-HB2 B 1.5 ambi=2 { CB:31.6 } atom: 521 51E-HB2 B 2.24 ambi=2 { CB:29.8 } :: atom: 479 48K-HB2 B 1.5 ambi=2 { CB:31.6 } atom: 522 51E-HB3 B 2.16 ambi=2 { CB:29.8 } :: atom: 480 48K-HB3 B 1.83 ambi=2 { CB:31.6 } atom: 521 51E-HB2 B 2.24 ambi=2 { CB:29.8 } ::sumAvg: 4.465 atom: 479 48K-HB2 B 1.5 ambi=2 { CB:31.6 } atom: 534 52R-HG3 G 1.9 ambi=2 { CG:26.9 } ::sumAvg: 4.39 atom: 534 52R-HG3 G 1.9 ambi=2 { CG:26.9 } atom: 479 48K-HB2 B 1.5 ambi=2 { CB:31.6 } ::sumAvg: 4.39 atom: 479 48K-HB2 B 1.5 ambi=2 { CB:31.6 } atom: 535 52R-HD2 D 3.13 ambi=2 { CD:43.8 } :: atom: 479 48K-HB2 B 1.5 ambi=2 { CB:31.6 } atom: 536 52R-HD3 D 3.21 ambi=2 { CD:43.8 } :: atom: 480 48K-HB3 B 1.83 ambi=2 { CB:31.6 } atom: 535 52R-HD2 D 3.13 ambi=2 { CD:43.8 } :: atom: 480 48K-HB3 B 1.83 ambi=2 { CB:31.6 } atom: 536 52R-HD3 D 3.21 ambi=2 { CD:43.8 } ::sumAvg: 4.905 atom: 495 49L-HB2 B 1.61 ambi=2 { CB:41 } atom: 477 48K-H N 7.97 ambi=1 { N:120.5 } :: atom: 496 49L-HB3 B 1.86 ambi=2 { CB:41 } atom: 477 48K-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 4.73 atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } atom: 477 48K-H N 7.97 ambi=1 { N:120.5 } :: atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } atom: 477 48K-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 4.9 atom: 523 51E-HG2 G 1.89 ambi=2 { CG:38.4 } atom: 477 48K-H N 7.97 ambi=1 { N:120.5 } :: atom: 524 51E-HG3 G 2.65 ambi=2 { CG:38.4 } atom: 477 48K-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 4.705 atom: 601 59A-HB B 1.51 ambi=1 { CB:19.2 } atom: 477 48K-H N 7.97 ambi=1 { N:120.5 } ::sumAvg: 4.745 atom: 586 57D-HA A 4.26 ambi=1 { CA:57.9 } atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } ::sumAvg: 4.89 atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } atom: 592 58D-H N 7.54 ambi=1 { N:120.2 } ::sumAvg: 4.43 atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } atom: 605 60I-H N 8.23 ambi=1 { N:117.6 } ::sumAvg: 4.26 atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } atom: 611 60I-HD1 D1 0.76 ambi=1 { CD1:14.1 } ::sumAvg: 4.56 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } ::sumAvg: 3.95 atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } atom: 933 92L-HD1 D1 0.91 ambi=2 { CD1:25.2 } :: atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } atom: 934 92L-HD2 D2 0.84 ambi=2 { CD2:22.7 } ::sumAvg: 4.345 atom: 933 92L-HD1 D1 0.91 ambi=2 { CD1:25.2 } atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } :: atom: 934 92L-HD2 D2 0.84 ambi=2 { CD2:22.7 } atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } ::sumAvg: 4.345 atom: 579 56T-HB B 3.96 ambi=1 { CB:68 } atom: 587 57D-HB2 B 2.56 ambi=2 { CB:39.1 } :: atom: 579 56T-HB B 3.96 ambi=1 { CB:68 } atom: 588 57D-HB3 B 2.64 ambi=2 { CB:39.1 } ::sumAvg: 4.755 atom: 579 56T-HB B 3.96 ambi=1 { CB:68 } atom: 944 93E-QB B 1.895 ambi=2 { CB:29.7 } ::sumAvg: 4.715 atom: 579 56T-HB B 3.96 ambi=1 { CB:68 } atom: 945 93E-HG2 G 2.1 ambi=2 { CG:36 } :: atom: 579 56T-HB B 3.96 ambi=1 { CB:68 } atom: 946 93E-HG3 G 2.19 ambi=2 { CG:36 } ::sumAvg: 3.35 atom: 945 93E-HG2 G 2.1 ambi=2 { CG:36 } atom: 579 56T-HB B 3.96 ambi=1 { CB:68 } :: atom: 946 93E-HG3 G 2.19 ambi=2 { CG:36 } atom: 579 56T-HB B 3.96 ambi=1 { CB:68 } ::sumAvg: 3.35 atom: 481 48K-HG2 G 0.85 ambi=2 { CG:23.4 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } :: atom: 482 48K-HG3 G 1.17 ambi=2 { CG:23.4 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } ::sumAvg: 3.255 atom: 483 48K-HD2 D 1.36 ambi=2 { CD:28.2 } atom: 521 51E-HB2 B 2.24 ambi=2 { CB:29.8 } :: atom: 483 48K-HD2 D 1.36 ambi=2 { CD:28.2 } atom: 522 51E-HB3 B 2.16 ambi=2 { CB:29.8 } :: atom: 484 48K-HD3 D 1.51 ambi=2 { CD:28.2 } atom: 521 51E-HB2 B 2.24 ambi=2 { CB:29.8 } :: atom: 484 48K-HD3 D 1.51 ambi=2 { CD:28.2 } atom: 522 51E-HB3 B 2.16 ambi=2 { CB:29.8 } ::sumAvg: 4.205 atom: 483 48K-HD2 D 1.36 ambi=2 { CD:28.2 } atom: 523 51E-HG2 G 1.89 ambi=2 { CG:38.4 } :: atom: 483 48K-HD2 D 1.36 ambi=2 { CD:28.2 } atom: 524 51E-HG3 G 2.65 ambi=2 { CG:38.4 } :: atom: 484 48K-HD3 D 1.51 ambi=2 { CD:28.2 } atom: 524 51E-HG3 G 2.65 ambi=2 { CG:38.4 } ::sumAvg: 4.1 atom: 483 48K-HD2 D 1.36 ambi=2 { CD:28.2 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } :: atom: 484 48K-HD3 D 1.51 ambi=2 { CD:28.2 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } ::sumAvg: 3.91 atom: 483 48K-HD2 D 1.36 ambi=2 { CD:28.2 } atom: 899 88K-QE E 2.94 ambi=2 { CE:41.8 } :: atom: 484 48K-HD3 D 1.51 ambi=2 { CD:28.2 } atom: 899 88K-QE E 2.94 ambi=2 { CE:41.8 } ::sumAvg: 4.63 atom: 485 48K-HE2 E 2.55 ambi=2 { CE:41.8 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } :: atom: 486 48K-HE3 E 2.81 ambi=2 { CE:41.8 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } ::sumAvg: 4.665 atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } atom: 493 49L-H N 7.8 ambi=1 { N:124 } :: atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } atom: 493 49L-H N 7.8 ambi=1 { N:124 } ::sumAvg: 4.6 atom: 535 52R-HD2 D 3.13 ambi=2 { CD:43.8 } atom: 493 49L-H N 7.8 ambi=1 { N:124 } :: atom: 536 52R-HD3 D 3.21 ambi=2 { CD:43.8 } atom: 493 49L-H N 7.8 ambi=1 { N:124 } ::sumAvg: 4.965 atom: 494 49L-HA A 4.17 ambi=1 { CA:57.5 } atom: 535 52R-HD2 D 3.13 ambi=2 { CD:43.8 } :: atom: 494 49L-HA A 4.17 ambi=1 { CA:57.5 } atom: 536 52R-HD3 D 3.21 ambi=2 { CD:43.8 } ::sumAvg: 2.48 atom: 546 53L-HG G 1.84 ambi=1 { CG:26.3 } atom: 494 49L-HA A 4.17 ambi=1 { CA:57.5 } ::sumAvg: 4.365 atom: 495 49L-HB2 B 1.61 ambi=2 { CB:41 } atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } :: atom: 495 49L-HB2 B 1.61 ambi=2 { CB:41 } atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } :: atom: 496 49L-HB3 B 1.86 ambi=2 { CB:41 } atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } :: atom: 496 49L-HB3 B 1.86 ambi=2 { CB:41 } atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } ::sumAvg: 4.915 atom: 495 49L-HB2 B 1.61 ambi=2 { CB:41 } atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } :: atom: 496 49L-HB3 B 1.86 ambi=2 { CB:41 } atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } ::sumAvg: 4.795 atom: 495 49L-HB2 B 1.61 ambi=2 { CB:41 } atom: 535 52R-HD2 D 3.13 ambi=2 { CD:43.8 } :: atom: 495 49L-HB2 B 1.61 ambi=2 { CB:41 } atom: 536 52R-HD3 D 3.21 ambi=2 { CD:43.8 } :: atom: 496 49L-HB3 B 1.86 ambi=2 { CB:41 } atom: 535 52R-HD2 D 3.13 ambi=2 { CD:43.8 } :: atom: 496 49L-HB3 B 1.86 ambi=2 { CB:41 } atom: 536 52R-HD3 D 3.21 ambi=2 { CD:43.8 } ::sumAvg: 4.235 atom: 497 49L-HG G 1.6 ambi=1 { CG:27 } atom: 507 50Y-HA A 4.42 ambi=1 { CA:59.6 } ::sumAvg: 4 atom: 497 49L-HG G 1.6 ambi=1 { CG:27 } atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } ::sumAvg: 4.785 atom: 497 49L-HG G 1.6 ambi=1 { CG:27 } atom: 531 52R-HB2 B 2.17 ambi=2 { CB:29.6 } :: atom: 497 49L-HG G 1.6 ambi=1 { CG:27 } atom: 532 52R-HB3 B 2.1 ambi=2 { CB:29.6 } ::sumAvg: 4.665 atom: 531 52R-HB2 B 2.17 ambi=2 { CB:29.6 } atom: 497 49L-HG G 1.6 ambi=1 { CG:27 } :: atom: 532 52R-HB3 B 2.1 ambi=2 { CB:29.6 } atom: 497 49L-HG G 1.6 ambi=1 { CG:27 } ::sumAvg: 4.665 atom: 497 49L-HG G 1.6 ambi=1 { CG:27 } atom: 535 52R-HD2 D 3.13 ambi=2 { CD:43.8 } :: atom: 497 49L-HG G 1.6 ambi=1 { CG:27 } atom: 536 52R-HD3 D 3.21 ambi=2 { CD:43.8 } ::sumAvg: 4.95 atom: 497 49L-HG G 1.6 ambi=1 { CG:27 } atom: 542 53L-H N 7.74 ambi=1 { N:119.4 } ::sumAvg: 4.93 atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } atom: 507 50Y-HA A 4.42 ambi=1 { CA:59.6 } :: atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } atom: 507 50Y-HA A 4.42 ambi=1 { CA:59.6 } ::sumAvg: 4.655 atom: 507 50Y-HA A 4.42 ambi=1 { CA:59.6 } atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } :: atom: 507 50Y-HA A 4.42 ambi=1 { CA:59.6 } atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } ::sumAvg: 4.655 atom: 498 49L-HD1 D1 0.99 ambi=2 { CD1:23.5 } atom: 542 53L-H N 7.74 ambi=1 { N:119.4 } :: atom: 499 49L-HD2 D2 0.96 ambi=2 { CD2:26.2 } atom: 542 53L-H N 7.74 ambi=1 { N:119.4 } ::sumAvg: 3.965 atom: 507 50Y-HA A 4.42 ambi=1 { CA:59.6 } atom: 529 52R-H N 7.91 ambi=1 { N:122.2 } ::sumAvg: 4.215 atom: 594 58D-HB2 B 1.41 ambi=2 { CB:38.4 } atom: 507 50Y-HA A 4.42 ambi=1 { CA:59.6 } :: atom: 595 58D-HB3 B 1.86 ambi=2 { CB:38.4 } atom: 507 50Y-HA A 4.42 ambi=1 { CA:59.6 } ::sumAvg: 4.635 atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } ::sumAvg: 3.81 atom: 544 53L-HB2 B 1.84 ambi=2 { CB:41.4 } atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } :: atom: 545 53L-HB3 B 1.77 ambi=2 { CB:41.4 } atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } :: atom: 544 53L-HB2 B 1.84 ambi=2 { CB:41.4 } atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } :: atom: 545 53L-HB3 B 1.77 ambi=2 { CB:41.4 } atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } ::sumAvg: 4.645 atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } :: atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } ::sumAvg: 4.6 atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } :: atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } ::sumAvg: 4.6 atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } atom: 577 56T-H N 7.87 ambi=1 { N:117.3 } :: atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } atom: 577 56T-H N 7.87 ambi=1 { N:117.3 } ::sumAvg: 4.77 atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } atom: 592 58D-H N 7.54 ambi=1 { N:120.2 } :: atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } atom: 592 58D-H N 7.54 ambi=1 { N:120.2 } ::sumAvg: 4.35 atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } :: atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } ::sumAvg: 4.96 atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 508 50Y-HB2 B 2.91 ambi=2 { CB:35.6 } :: atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 509 50Y-HB3 B 3.39 ambi=2 { CB:35.6 } ::sumAvg: 4.96 atom: 544 53L-HB2 B 1.84 ambi=2 { CB:41.4 } atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } :: atom: 545 53L-HB3 B 1.77 ambi=2 { CB:41.4 } atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } ::sumAvg: 3.42 atom: 546 53L-HG G 1.84 ambi=1 { CG:26.3 } atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } ::sumAvg: 4.83 atom: 564 55R-HB2 B 1.45 ambi=2 { CB:29.8 } atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } :: atom: 565 55R-HB3 B 2.19 ambi=2 { CB:29.8 } atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } ::sumAvg: 2.33 atom: 566 55R-HG2 G 1.55 ambi=2 { CG:24.6 } atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } :: atom: 567 55R-HG3 G 1.72 ambi=2 { CG:24.6 } atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } ::sumAvg: 2.93 atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 510 50Y-QD D 6.54 ambi=3 { CD1:129.6 } ::sumAvg: 3.205 atom: 564 55R-HB2 B 1.45 ambi=2 { CB:29.8 } atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } :: atom: 565 55R-HB3 B 2.19 ambi=2 { CB:29.8 } atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } ::sumAvg: 4.275 atom: 566 55R-HG2 G 1.55 ambi=2 { CG:24.6 } atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } :: atom: 567 55R-HG3 G 1.72 ambi=2 { CG:24.6 } atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } ::sumAvg: 3.84 atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } ::sumAvg: 4.89 atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 512 50Y-QE E 6.72 ambi=3 { CE1:118.9 } ::sumAvg: 3.84 atom: 533 52R-HG2 G 1.67 ambi=2 { CG:26.9 } atom: 519 51E-H N 8.41 ambi=1 { N:118.6 } :: atom: 534 52R-HG3 G 1.9 ambi=2 { CG:26.9 } atom: 519 51E-H N 8.41 ambi=1 { N:118.6 } ::sumAvg: 4.375 atom: 520 51E-HA A 3.76 ambi=1 { CA:61.6 } atom: 542 53L-H N 7.74 ambi=1 { N:119.4 } ::sumAvg: 4.36 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 520 51E-HA A 3.76 ambi=1 { CA:61.6 } ::sumAvg: 4.725 atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } atom: 521 51E-HB2 B 2.24 ambi=2 { CB:29.8 } :: atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } atom: 522 51E-HB3 B 2.16 ambi=2 { CB:29.8 } ::sumAvg: 4.875 atom: 521 51E-HB2 B 2.24 ambi=2 { CB:29.8 } atom: 580 56T-HG2 G2 1.22 ambi=1 { CG2:23.1 } :: atom: 522 51E-HB3 B 2.16 ambi=2 { CB:29.8 } atom: 580 56T-HG2 G2 1.22 ambi=1 { CG2:23.1 } ::sumAvg: 4.555 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 521 51E-HB2 B 2.24 ambi=2 { CB:29.8 } :: atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 522 51E-HB3 B 2.16 ambi=2 { CB:29.8 } ::sumAvg: 4.335 atom: 523 51E-HG2 G 1.89 ambi=2 { CG:38.4 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } :: atom: 524 51E-HG3 G 2.65 ambi=2 { CG:38.4 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } ::sumAvg: 3.63 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 524 51E-HG3 G 2.65 ambi=2 { CG:38.4 } ::sumAvg: 2.79 atom: 546 53L-HG G 1.84 ambi=1 { CG:26.3 } atom: 529 52R-H N 7.91 ambi=1 { N:122.2 } ::sumAvg: 4.24 atom: 531 52R-HB2 B 2.17 ambi=2 { CB:29.6 } atom: 543 53L-HA A 4.4 ambi=1 { CA:54.1 } :: atom: 532 52R-HB3 B 2.1 ambi=2 { CB:29.6 } atom: 543 53L-HA A 4.4 ambi=1 { CA:54.1 } ::sumAvg: 4.425 atom: 545 53L-HB3 B 1.77 ambi=2 { CB:41.4 } atom: 531 52R-HB2 B 2.17 ambi=2 { CB:29.6 } ::sumAvg: 4.73 atom: 546 53L-HG G 1.84 ambi=1 { CG:26.3 } atom: 535 52R-HD2 D 3.13 ambi=2 { CD:43.8 } :: atom: 546 53L-HG G 1.84 ambi=1 { CG:26.3 } atom: 536 52R-HD3 D 3.21 ambi=2 { CD:43.8 } ::sumAvg: 4.84 atom: 566 55R-HG2 G 1.55 ambi=2 { CG:24.6 } atom: 542 53L-H N 7.74 ambi=1 { N:119.4 } :: atom: 567 55R-HG3 G 1.72 ambi=2 { CG:24.6 } atom: 542 53L-H N 7.74 ambi=1 { N:119.4 } ::sumAvg: 4.55 atom: 545 53L-HB3 B 1.77 ambi=2 { CB:41.4 } atom: 565 55R-HB3 B 2.19 ambi=2 { CB:29.8 } ::sumAvg: 3.015 atom: 544 53L-HB2 B 1.84 ambi=2 { CB:41.4 } atom: 568 55R-HD2 D 2.87 ambi=2 { CD:44.5 } :: atom: 544 53L-HB2 B 1.84 ambi=2 { CB:41.4 } atom: 569 55R-HD3 D 3.48 ambi=2 { CD:44.5 } :: atom: 545 53L-HB3 B 1.77 ambi=2 { CB:41.4 } atom: 568 55R-HD2 D 2.87 ambi=2 { CD:44.5 } :: atom: 545 53L-HB3 B 1.77 ambi=2 { CB:41.4 } atom: 569 55R-HD3 D 3.48 ambi=2 { CD:44.5 } ::sumAvg: 4.4 atom: 546 53L-HG G 1.84 ambi=1 { CG:26.3 } atom: 555 54D-H N 8.09 ambi=1 { N:116.3 } ::sumAvg: 4.88 atom: 566 55R-HG2 G 1.55 ambi=2 { CG:24.6 } atom: 555 54D-H N 8.09 ambi=1 { N:116.3 } :: atom: 567 55R-HG3 G 1.72 ambi=2 { CG:24.6 } atom: 555 54D-H N 8.09 ambi=1 { N:116.3 } ::sumAvg: 4.55 atom: 557 54D-HB2 B 2.69 ambi=2 { CB:38.9 } atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } :: atom: 558 54D-HB3 B 3.19 ambi=2 { CB:38.9 } atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } ::sumAvg: 4.88 atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } atom: 557 54D-HB2 B 2.69 ambi=2 { CB:38.9 } :: atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } atom: 558 54D-HB3 B 3.19 ambi=2 { CB:38.9 } ::sumAvg: 4.88 atom: 566 55R-HG2 G 1.55 ambi=2 { CG:24.6 } atom: 557 54D-HB2 B 2.69 ambi=2 { CB:38.9 } :: atom: 567 55R-HG3 G 1.72 ambi=2 { CG:24.6 } atom: 557 54D-HB2 B 2.69 ambi=2 { CB:38.9 } :: atom: 566 55R-HG2 G 1.55 ambi=2 { CG:24.6 } atom: 558 54D-HB3 B 3.19 ambi=2 { CB:38.9 } :: atom: 567 55R-HG3 G 1.72 ambi=2 { CG:24.6 } atom: 558 54D-HB3 B 3.19 ambi=2 { CB:38.9 } ::sumAvg: 4.495 atom: 557 54D-HB2 B 2.69 ambi=2 { CB:38.9 } atom: 569 55R-HD3 D 3.48 ambi=2 { CD:44.5 } ::sumAvg: 4.27 atom: 569 55R-HD3 D 3.48 ambi=2 { CD:44.5 } atom: 557 54D-HB2 B 2.69 ambi=2 { CB:38.9 } ::sumAvg: 4.27 atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } ::sumAvg: 4.71 atom: 578 56T-HA A 3.51 ambi=1 { CA:67.5 } atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } ::sumAvg: 4.71 atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } atom: 579 56T-HB B 3.96 ambi=1 { CB:68 } ::sumAvg: 4.935 atom: 579 56T-HB B 3.96 ambi=1 { CB:68 } atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } ::sumAvg: 4.935 atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } atom: 568 55R-HD2 D 2.87 ambi=2 { CD:44.5 } :: atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } atom: 569 55R-HD3 D 3.48 ambi=2 { CD:44.5 } ::sumAvg: 2.38 atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } atom: 570 55R-HE E 7.41 ambi=1 { NE:83.1 } ::sumAvg: 2.98 atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } atom: 587 57D-HB2 B 2.56 ambi=2 { CB:39.1 } :: atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } atom: 588 57D-HB3 B 2.64 ambi=2 { CB:39.1 } ::sumAvg: 4.67 atom: 587 57D-HB2 B 2.56 ambi=2 { CB:39.1 } atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } :: atom: 588 57D-HB3 B 2.64 ambi=2 { CB:39.1 } atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } ::sumAvg: 4.67 atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } atom: 592 58D-H N 7.54 ambi=1 { N:120.2 } ::sumAvg: 3.735 atom: 594 58D-HB2 B 1.41 ambi=2 { CB:38.4 } atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } :: atom: 595 58D-HB3 B 1.86 ambi=2 { CB:38.4 } atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } ::sumAvg: 4.165 atom: 563 55R-HA A 4.68 ambi=1 { CA:54 } atom: 599 59A-H N 8.11 ambi=1 { N:124.7 } ::sumAvg: 4.985 atom: 564 55R-HB2 B 1.45 ambi=2 { CB:29.8 } atom: 592 58D-H N 7.54 ambi=1 { N:120.2 } :: atom: 565 55R-HB3 B 2.19 ambi=2 { CB:29.8 } atom: 592 58D-H N 7.54 ambi=1 { N:120.2 } ::sumAvg: 3.395 atom: 568 55R-HD2 D 2.87 ambi=2 { CD:44.5 } atom: 577 56T-H N 7.87 ambi=1 { N:117.3 } :: atom: 569 55R-HD3 D 3.48 ambi=2 { CD:44.5 } atom: 577 56T-H N 7.87 ambi=1 { N:117.3 } ::sumAvg: 4.63 atom: 587 57D-HB2 B 2.56 ambi=2 { CB:39.1 } atom: 577 56T-H N 7.87 ambi=1 { N:117.3 } :: atom: 588 57D-HB3 B 2.64 ambi=2 { CB:39.1 } atom: 577 56T-H N 7.87 ambi=1 { N:117.3 } ::sumAvg: 4.91 atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } atom: 580 56T-HG2 G2 1.22 ambi=1 { CG2:23.1 } :: atom: 918 90E-HG3 G 2.59 ambi=2 { CG:37.2 } atom: 580 56T-HG2 G2 1.22 ambi=1 { CG2:23.1 } ::sumAvg: 4.98 atom: 930 92L-HB2 B 1.76 ambi=2 { CB:42.1 } atom: 580 56T-HG2 G2 1.22 ambi=1 { CG2:23.1 } ::sumAvg: 2.4 atom: 580 56T-HG2 G2 1.22 ambi=1 { CG2:23.1 } atom: 928 92L-H N 7.64 ambi=1 { N:121.2 } ::sumAvg: 3.73 atom: 932 92L-HG G 1.75 ambi=1 { CG:26.6 } atom: 580 56T-HG2 G2 1.22 ambi=1 { CG2:23.1 } ::sumAvg: 3.82 atom: 942 93E-HA A 4.13 ambi=1 { CA:56.7 } atom: 580 56T-HG2 G2 1.22 ambi=1 { CG2:23.1 } ::sumAvg: 4.915 atom: 944 93E-QB B 1.895 ambi=2 { CB:29.7 } atom: 580 56T-HG2 G2 1.22 ambi=1 { CG2:23.1 } ::sumAvg: 3.77 atom: 945 93E-HG2 G 2.1 ambi=2 { CG:36 } atom: 580 56T-HG2 G2 1.22 ambi=1 { CG2:23.1 } :: atom: 946 93E-HG3 G 2.19 ambi=2 { CG:36 } atom: 580 56T-HG2 G2 1.22 ambi=1 { CG2:23.1 } ::sumAvg: 2.53 atom: 580 56T-HG2 G2 1.22 ambi=1 { CG2:23.1 } atom: 951 94H-H N 8.26 ambi=1 { N:118.9 } ::sumAvg: 4.64 atom: 586 57D-HA A 4.26 ambi=1 { CA:57.9 } atom: 601 59A-HB B 1.51 ambi=1 { CB:19.2 } ::sumAvg: 4.725 atom: 587 57D-HB2 B 2.56 ambi=2 { CB:39.1 } atom: 593 58D-HA A 4.17 ambi=1 { CA:56.9 } :: atom: 588 57D-HB3 B 2.64 ambi=2 { CB:39.1 } atom: 593 58D-HA A 4.17 ambi=1 { CA:56.9 } ::sumAvg: 4.44 atom: 608 60I-HG12 G1 0.94 ambi=2 { CG1:31.2 } atom: 585 57D-H N 8.45 ambi=1 { N:120.3 } :: atom: 609 60I-HG13 G1 1.89 ambi=2 { CG1:31.2 } atom: 585 57D-H N 8.45 ambi=1 { N:120.3 } ::sumAvg: 4.61 atom: 685 68E-QB B 2.1 ambi=2 { CB:28.5 } atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } ::sumAvg: 4.735 atom: 687 68E-HG2 G 2.31 ambi=2 { CG:35.6 } atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } :: atom: 688 68E-HG3 G 2.41 ambi=2 { CG:35.6 } atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } ::sumAvg: 4.035 atom: 696 69V-HG1 G1 0.9 ambi=2 { CG1:20.9 } atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } :: atom: 697 69V-HG2 G2 1 ambi=2 { CG2:21.5 } atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } ::sumAvg: 4.37 atom: 705 70A-HB B 1.26 ambi=1 { CB:18 } atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } ::sumAvg: 4.19 atom: 825 82L-HB2 B 1.98 ambi=2 { CB:43.9 } atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } :: atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } ::sumAvg: 3.86 atom: 593 58D-HA A 4.17 ambi=1 { CA:56.9 } atom: 600 59A-HA A 3.76 ambi=1 { CA:56 } ::sumAvg: 4.9 atom: 600 59A-HA A 3.76 ambi=1 { CA:56 } atom: 593 58D-HA A 4.17 ambi=1 { CA:56.9 } ::sumAvg: 4.9 atom: 593 58D-HA A 4.17 ambi=1 { CA:56.9 } atom: 625 62T-H N 8.04 ambi=1 { N:119.8 } ::sumAvg: 4.285 atom: 594 58D-HB2 B 1.41 ambi=2 { CB:38.4 } atom: 620 61D-HB2 B 2.71 ambi=2 { CB:40.5 } :: atom: 594 58D-HB2 B 1.41 ambi=2 { CB:38.4 } atom: 621 61D-HB3 B 2.74 ambi=2 { CB:40.5 } :: atom: 595 58D-HB3 B 1.86 ambi=2 { CB:38.4 } atom: 620 61D-HB2 B 2.71 ambi=2 { CB:40.5 } :: atom: 595 58D-HB3 B 1.86 ambi=2 { CB:38.4 } atom: 621 61D-HB3 B 2.74 ambi=2 { CB:40.5 } ::sumAvg: 4.73 atom: 600 59A-HA A 3.76 ambi=1 { CA:56 } atom: 618 61D-H N 7.75 ambi=1 { N:118.3 } ::sumAvg: 4.485 atom: 610 60I-HG2 G2 0.99 ambi=1 { CG2:17.7 } atom: 601 59A-HB B 1.51 ambi=1 { CB:19.2 } ::sumAvg: 4.955 atom: 601 59A-HB B 1.51 ambi=1 { CB:19.2 } atom: 625 62T-H N 8.04 ambi=1 { N:119.8 } ::sumAvg: 4.625 atom: 601 59A-HB B 1.51 ambi=1 { CB:19.2 } atom: 633 63Y-H N 8.97 ambi=1 { N:121.7 } ::sumAvg: 4.585 atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } atom: 601 59A-HB B 1.51 ambi=1 { CB:19.2 } :: atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } atom: 601 59A-HB B 1.51 ambi=1 { CB:19.2 } ::sumAvg: 4.935 atom: 620 61D-HB2 B 2.71 ambi=2 { CB:40.5 } atom: 605 60I-H N 8.23 ambi=1 { N:117.6 } :: atom: 621 61D-HB3 B 2.74 ambi=2 { CB:40.5 } atom: 605 60I-H N 8.23 ambi=1 { N:117.6 } ::sumAvg: 4.91 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 605 60I-H N 8.23 ambi=1 { N:117.6 } ::sumAvg: 4.325 atom: 619 61D-HA A 4.44 ambi=1 { CA:57.1 } atom: 606 60I-HA A 3.52 ambi=1 { CA:66.8 } ::sumAvg: 4.85 atom: 606 60I-HA A 3.52 ambi=1 { CA:66.8 } atom: 625 62T-H N 8.04 ambi=1 { N:119.8 } ::sumAvg: 4.55 atom: 648 64A-HB B 1.58 ambi=1 { CB:17.8 } atom: 606 60I-HA A 3.52 ambi=1 { CA:66.8 } ::sumAvg: 4.61 atom: 864 86K-HB2 B 1.7 ambi=2 { CB:33.3 } atom: 606 60I-HA A 3.52 ambi=1 { CA:66.8 } :: atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } atom: 606 60I-HA A 3.52 ambi=1 { CA:66.8 } ::sumAvg: 2.88 atom: 868 86K-QD D 1.59 ambi=2 { CD:30.7 } atom: 606 60I-HA A 3.52 ambi=1 { CA:66.8 } ::sumAvg: 4.515 atom: 870 86K-HE2 E 3.1 ambi=2 { CE:41.9 } atom: 606 60I-HA A 3.52 ambi=1 { CA:66.8 } :: atom: 871 86K-HE3 E 2.89 ambi=2 { CE:41.9 } atom: 606 60I-HA A 3.52 ambi=1 { CA:66.8 } ::sumAvg: 3.45 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 606 60I-HA A 3.52 ambi=1 { CA:66.8 } ::sumAvg: 4.14 atom: 607 60I-HB B 1.88 ambi=1 { CB:38.4 } atom: 619 61D-HA A 4.44 ambi=1 { CA:57.1 } ::sumAvg: 4.2 atom: 619 61D-HA A 4.44 ambi=1 { CA:57.1 } atom: 607 60I-HB B 1.88 ambi=1 { CB:38.4 } ::sumAvg: 4.2 atom: 607 60I-HB B 1.88 ambi=1 { CB:38.4 } atom: 620 61D-HB2 B 2.71 ambi=2 { CB:40.5 } :: atom: 607 60I-HB B 1.88 ambi=1 { CB:38.4 } atom: 621 61D-HB3 B 2.74 ambi=2 { CB:40.5 } ::sumAvg: 4.135 atom: 608 60I-HG12 G1 0.94 ambi=2 { CG1:31.2 } atom: 618 61D-H N 7.75 ambi=1 { N:118.3 } :: atom: 609 60I-HG13 G1 1.89 ambi=2 { CG1:31.2 } atom: 618 61D-H N 7.75 ambi=1 { N:118.3 } ::sumAvg: 4.105 atom: 608 60I-HG12 G1 0.94 ambi=2 { CG1:31.2 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } :: atom: 609 60I-HG13 G1 1.89 ambi=2 { CG1:31.2 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } ::sumAvg: 4.91 atom: 864 86K-HB2 B 1.7 ambi=2 { CB:33.3 } atom: 608 60I-HG12 G1 0.94 ambi=2 { CG1:31.2 } :: atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } atom: 608 60I-HG12 G1 0.94 ambi=2 { CG1:31.2 } ::sumAvg: 4.785 atom: 620 61D-HB2 B 2.71 ambi=2 { CB:40.5 } atom: 610 60I-HG2 G2 0.99 ambi=1 { CG2:17.7 } :: atom: 621 61D-HB3 B 2.74 ambi=2 { CB:40.5 } atom: 610 60I-HG2 G2 0.99 ambi=1 { CG2:17.7 } ::sumAvg: 4.65 atom: 610 60I-HG2 G2 0.99 ambi=1 { CG2:17.7 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } ::sumAvg: 4.245 atom: 610 60I-HG2 G2 0.99 ambi=1 { CG2:17.7 } atom: 863 86K-HA A 3.81 ambi=1 { CA:60.6 } ::sumAvg: 4.115 atom: 864 86K-HB2 B 1.7 ambi=2 { CB:33.3 } atom: 610 60I-HG2 G2 0.99 ambi=1 { CG2:17.7 } :: atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } atom: 610 60I-HG2 G2 0.99 ambi=1 { CG2:17.7 } ::sumAvg: 2.485 atom: 610 60I-HG2 G2 0.99 ambi=1 { CG2:17.7 } atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } ::sumAvg: 4.415 atom: 611 60I-HD1 D1 0.76 ambi=1 { CD1:14.1 } atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } :: atom: 611 60I-HD1 D1 0.76 ambi=1 { CD1:14.1 } atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } ::sumAvg: 4.285 atom: 611 60I-HD1 D1 0.76 ambi=1 { CD1:14.1 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } ::sumAvg: 2.895 atom: 611 60I-HD1 D1 0.76 ambi=1 { CD1:14.1 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } ::sumAvg: 3.655 atom: 611 60I-HD1 D1 0.76 ambi=1 { CD1:14.1 } atom: 868 86K-QD D 1.59 ambi=2 { CD:30.7 } ::sumAvg: 4.635 atom: 611 60I-HD1 D1 0.76 ambi=1 { CD1:14.1 } atom: 879 87L-HA A 4.16 ambi=1 { CA:57.5 } ::sumAvg: 4.31 atom: 611 60I-HD1 D1 0.76 ambi=1 { CD1:14.1 } atom: 907 89A-H N 8 ambi=1 { N:122.4 } ::sumAvg: 3.905 atom: 611 60I-HD1 D1 0.76 ambi=1 { CD1:14.1 } atom: 908 89A-HA A 4.15 ambi=1 { CA:54.5 } ::sumAvg: 4.095 atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 618 61D-H N 7.75 ambi=1 { N:118.3 } ::sumAvg: 4.855 atom: 648 64A-HB B 1.58 ambi=1 { CB:17.8 } atom: 618 61D-H N 7.75 ambi=1 { N:118.3 } ::sumAvg: 4.565 atom: 619 61D-HA A 4.44 ambi=1 { CA:57.1 } atom: 633 63Y-H N 8.97 ambi=1 { N:121.7 } ::sumAvg: 4.58 atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } atom: 620 61D-HB2 B 2.71 ambi=2 { CB:40.5 } :: atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } atom: 621 61D-HB3 B 2.74 ambi=2 { CB:40.5 } ::sumAvg: 4.305 atom: 620 61D-HB2 B 2.71 ambi=2 { CB:40.5 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } :: atom: 621 61D-HB3 B 2.74 ambi=2 { CB:40.5 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } ::sumAvg: 4.94 atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 620 61D-HB2 B 2.71 ambi=2 { CB:40.5 } :: atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 621 61D-HB3 B 2.74 ambi=2 { CB:40.5 } ::sumAvg: 4.94 atom: 648 64A-HB B 1.58 ambi=1 { CB:17.8 } atom: 620 61D-HB2 B 2.71 ambi=2 { CB:40.5 } :: atom: 648 64A-HB B 1.58 ambi=1 { CB:17.8 } atom: 621 61D-HB3 B 2.74 ambi=2 { CB:40.5 } ::sumAvg: 4.74 atom: 648 64A-HB B 1.58 ambi=1 { CB:17.8 } atom: 625 62T-H N 8.04 ambi=1 { N:119.8 } ::sumAvg: 4.645 atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } ::sumAvg: 4.82 atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } ::sumAvg: 4.82 atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } atom: 646 64A-H N 8.69 ambi=1 { N:119.4 } ::sumAvg: 4.53 atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } atom: 648 64A-HB B 1.58 ambi=1 { CB:17.8 } ::sumAvg: 4.905 atom: 648 64A-HB B 1.58 ambi=1 { CB:17.8 } atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } ::sumAvg: 4.905 atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } atom: 656 65Q-HG2 G 2.42 ambi=2 { CG:33.9 } :: atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } atom: 657 65Q-HG3 G 2.5 ambi=2 { CG:33.9 } ::sumAvg: 4.015 atom: 656 65Q-HG2 G 2.42 ambi=2 { CG:33.9 } atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } :: atom: 657 65Q-HG3 G 2.5 ambi=2 { CG:33.9 } atom: 626 62T-HA A 4.07 ambi=1 { CA:68 } ::sumAvg: 4.015 atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } :: atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } ::sumAvg: 4.99 atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } :: atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } ::sumAvg: 4.99 atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } ::sumAvg: 4.39 atom: 627 62T-HB B 4.25 ambi=1 { CB:68.6 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } ::sumAvg: 4.97 atom: 628 62T-HG2 G2 1.35 ambi=1 { CG2:22.3 } atom: 654 65Q-HB2 B 2.33 ambi=2 { CB:28.5 } :: atom: 628 62T-HG2 G2 1.35 ambi=1 { CG2:22.3 } atom: 655 65Q-HB3 B 2.13 ambi=2 { CB:28.5 } ::sumAvg: 4.155 atom: 628 62T-HG2 G2 1.35 ambi=1 { CG2:22.3 } atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } :: atom: 628 62T-HG2 G2 1.35 ambi=1 { CG2:22.3 } atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } ::sumAvg: 4.645 atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } atom: 628 62T-HG2 G2 1.35 ambi=1 { CG2:22.3 } :: atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } atom: 628 62T-HG2 G2 1.35 ambi=1 { CG2:22.3 } ::sumAvg: 4.645 atom: 864 86K-HB2 B 1.7 ambi=2 { CB:33.3 } atom: 633 63Y-H N 8.97 ambi=1 { N:121.7 } :: atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } atom: 633 63Y-H N 8.97 ambi=1 { N:121.7 } ::sumAvg: 4.53 atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } ::sumAvg: 4.17 atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } atom: 647 64A-HA A 4 ambi=1 { CA:55.5 } ::sumAvg: 4.91 atom: 647 64A-HA A 4 ambi=1 { CA:55.5 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } ::sumAvg: 4.91 atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } :: atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } ::sumAvg: 3.245 atom: 673 67I-HG12 G1 0.75 ambi=2 { CG1:32.1 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } :: atom: 674 67I-HG13 G1 1.98 ambi=2 { CG1:32.1 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } ::sumAvg: 4.165 atom: 676 67I-HD1 D1 0.76 ambi=1 { CD1:14.7 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } ::sumAvg: 4.865 atom: 824 82L-HA A 3.89 ambi=1 { CA:57.9 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } ::sumAvg: 4.335 atom: 825 82L-HB2 B 1.98 ambi=2 { CB:43.9 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } :: atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } ::sumAvg: 3.08 atom: 864 86K-HB2 B 1.7 ambi=2 { CB:33.3 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } :: atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } ::sumAvg: 4.82 atom: 868 86K-QD D 1.59 ambi=2 { CD:30.7 } atom: 634 63Y-HA A 4.48 ambi=1 { CA:59.2 } ::sumAvg: 4.935 atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } :: atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } ::sumAvg: 4.96 atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } atom: 647 64A-HA A 4 ambi=1 { CA:55.5 } :: atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } atom: 647 64A-HA A 4 ambi=1 { CA:55.5 } ::sumAvg: 4.355 atom: 673 67I-HG12 G1 0.75 ambi=2 { CG1:32.1 } atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } :: atom: 674 67I-HG13 G1 1.98 ambi=2 { CG1:32.1 } atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } :: atom: 673 67I-HG12 G1 0.75 ambi=2 { CG1:32.1 } atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } :: atom: 674 67I-HG13 G1 1.98 ambi=2 { CG1:32.1 } atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } ::sumAvg: 3.665 atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } atom: 824 82L-HA A 3.89 ambi=1 { CA:57.9 } :: atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } atom: 824 82L-HA A 3.89 ambi=1 { CA:57.9 } ::sumAvg: 3.51 atom: 824 82L-HA A 3.89 ambi=1 { CA:57.9 } atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } :: atom: 824 82L-HA A 3.89 ambi=1 { CA:57.9 } atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } ::sumAvg: 3.51 atom: 825 82L-HB2 B 1.98 ambi=2 { CB:43.9 } atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } :: atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } :: atom: 825 82L-HB2 B 1.98 ambi=2 { CB:43.9 } atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } :: atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } ::sumAvg: 2.88 atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } atom: 837 83Q-HA A 3.9 ambi=1 { CA:59.2 } :: atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } atom: 837 83Q-HA A 3.9 ambi=1 { CA:59.2 } ::sumAvg: 4.42 atom: 858 85A-HB B 0.78 ambi=1 { CB:16.2 } atom: 635 63Y-HB2 B 3.23 ambi=2 { CB:37.7 } :: atom: 858 85A-HB B 0.78 ambi=1 { CB:16.2 } atom: 636 63Y-HB3 B 2.89 ambi=2 { CB:37.7 } ::sumAvg: 3.905 atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } :: atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } ::sumAvg: 4.625 atom: 825 82L-HB2 B 1.98 ambi=2 { CB:43.9 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } :: atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } ::sumAvg: 3.305 atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } ::sumAvg: 4.4 atom: 864 86K-HB2 B 1.7 ambi=2 { CB:33.3 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } :: atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } ::sumAvg: 2.34 atom: 866 86K-HG2 G 1.41 ambi=2 { CG:25.4 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } :: atom: 867 86K-HG3 G 1.63 ambi=2 { CG:25.4 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } ::sumAvg: 4.41 atom: 868 86K-QD D 1.59 ambi=2 { CD:30.7 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } ::sumAvg: 4.42 atom: 870 86K-HE2 E 3.1 ambi=2 { CE:41.9 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } :: atom: 871 86K-HE3 E 2.89 ambi=2 { CE:41.9 } atom: 637 63Y-QD D 6.74 ambi=3 { CD1:129.2 } ::sumAvg: 4.675 atom: 857 85A-HA A 3.81 ambi=1 { CA:54.6 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } ::sumAvg: 4.77 atom: 864 86K-HB2 B 1.7 ambi=2 { CB:33.3 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } :: atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } atom: 639 63Y-QE E 6.71 ambi=3 { CE1:119 } ::sumAvg: 4.435 atom: 654 65Q-HB2 B 2.33 ambi=2 { CB:28.5 } atom: 646 64A-H N 8.69 ambi=1 { N:119.4 } :: atom: 655 65Q-HB3 B 2.13 ambi=2 { CB:28.5 } atom: 646 64A-H N 8.69 ambi=1 { N:119.4 } ::sumAvg: 4.725 atom: 673 67I-HG12 G1 0.75 ambi=2 { CG1:32.1 } atom: 646 64A-H N 8.69 ambi=1 { N:119.4 } :: atom: 674 67I-HG13 G1 1.98 ambi=2 { CG1:32.1 } atom: 646 64A-H N 8.69 ambi=1 { N:119.4 } ::sumAvg: 4.69 atom: 864 86K-HB2 B 1.7 ambi=2 { CB:33.3 } atom: 646 64A-H N 8.69 ambi=1 { N:119.4 } :: atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } atom: 646 64A-H N 8.69 ambi=1 { N:119.4 } ::sumAvg: 4.325 atom: 647 64A-HA A 4 ambi=1 { CA:55.5 } atom: 666 66G-H N 8.43 ambi=1 { N:108.2 } ::sumAvg: 4.445 atom: 647 64A-HA A 4 ambi=1 { CA:55.5 } atom: 675 67I-HG2 G2 0.8 ambi=1 { CG2:16.1 } ::sumAvg: 4.06 atom: 648 64A-HB B 1.58 ambi=1 { CB:17.8 } atom: 670 67I-H N 8.57 ambi=1 { N:123.5 } ::sumAvg: 4.55 atom: 648 64A-HB B 1.58 ambi=1 { CB:17.8 } atom: 656 65Q-HG2 G 2.42 ambi=2 { CG:33.9 } :: atom: 648 64A-HB B 1.58 ambi=1 { CB:17.8 } atom: 657 65Q-HG3 G 2.5 ambi=2 { CG:33.9 } ::sumAvg: 4.345 atom: 673 67I-HG12 G1 0.75 ambi=2 { CG1:32.1 } atom: 648 64A-HB B 1.58 ambi=1 { CB:17.8 } :: atom: 674 67I-HG13 G1 1.98 ambi=2 { CG1:32.1 } atom: 648 64A-HB B 1.58 ambi=1 { CB:17.8 } ::sumAvg: 4.75 atom: 687 68E-HG2 G 2.31 ambi=2 { CG:35.6 } atom: 652 65Q-H N 8.1 ambi=1 { N:119.6 } :: atom: 688 68E-HG3 G 2.41 ambi=2 { CG:35.6 } atom: 652 65Q-H N 8.1 ambi=1 { N:119.6 } ::sumAvg: 4.955 atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } atom: 653 65Q-HA A 4.01 ambi=1 { CA:58.6 } :: atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } atom: 653 65Q-HA A 4.01 ambi=1 { CA:58.6 } ::sumAvg: 4.905 atom: 654 65Q-HB2 B 2.33 ambi=2 { CB:28.5 } atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } :: atom: 655 65Q-HB3 B 2.13 ambi=2 { CB:28.5 } atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } ::sumAvg: 4.21 atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } ::sumAvg: 4.37 atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } atom: 685 68E-QB B 2.1 ambi=2 { CB:28.5 } :: atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } atom: 685 68E-QB B 2.1 ambi=2 { CB:28.5 } ::sumAvg: 4.97 atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } atom: 703 70A-H N 9.29 ambi=1 { N:122.5 } :: atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } atom: 703 70A-H N 9.29 ambi=1 { N:122.5 } ::sumAvg: 4.255 atom: 705 70A-HB B 1.26 ambi=1 { CB:18 } atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } :: atom: 705 70A-HB B 1.26 ambi=1 { CB:18 } atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } ::sumAvg: 4.075 atom: 825 82L-HB2 B 1.98 ambi=2 { CB:43.9 } atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } :: atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } :: atom: 825 82L-HB2 B 1.98 ambi=2 { CB:43.9 } atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } :: atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } ::sumAvg: 3.875 atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 665 66G-HA2 A 3.08 ambi=2 { CA:46.8 } :: atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 667 66G-HA3 A 2.52 ambi=2 { CA:46.8 } ::sumAvg: 4.81 atom: 673 67I-HG12 G1 0.75 ambi=2 { CG1:32.1 } atom: 666 66G-H N 8.43 ambi=1 { N:108.2 } :: atom: 674 67I-HG13 G1 1.98 ambi=2 { CG1:32.1 } atom: 666 66G-H N 8.43 ambi=1 { N:108.2 } ::sumAvg: 4.62 atom: 672 67I-HB B 1.9 ambi=1 { CB:38.4 } atom: 687 68E-HG2 G 2.31 ambi=2 { CG:35.6 } :: atom: 672 67I-HB B 1.9 ambi=1 { CB:38.4 } atom: 688 68E-HG3 G 2.41 ambi=2 { CG:35.6 } ::sumAvg: 3.555 atom: 673 67I-HG12 G1 0.75 ambi=2 { CG1:32.1 } atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } :: atom: 674 67I-HG13 G1 1.98 ambi=2 { CG1:32.1 } atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } ::sumAvg: 4.625 atom: 673 67I-HG12 G1 0.75 ambi=2 { CG1:32.1 } atom: 868 86K-QD D 1.59 ambi=2 { CD:30.7 } ::sumAvg: 3.64 atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } atom: 684 68E-HA A 3.96 ambi=1 { CA:58.7 } ::sumAvg: 4.895 atom: 684 68E-HA A 3.96 ambi=1 { CA:58.7 } atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } ::sumAvg: 4.895 atom: 696 69V-HG1 G1 0.9 ambi=2 { CG1:20.9 } atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } :: atom: 697 69V-HG2 G2 1 ambi=2 { CG2:21.5 } atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } ::sumAvg: 4.755 atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } :: atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } atom: 714 71R-HG3 G 1.82 ambi=2 { CG:27.7 } ::sumAvg: 4.885 atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } :: atom: 714 71R-HG3 G 1.82 ambi=2 { CG:27.7 } atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } ::sumAvg: 4.885 atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } ::sumAvg: 4.805 atom: 840 83Q-HG2 G 2.27 ambi=2 { CG:34.4 } atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } :: atom: 841 83Q-HG3 G 2.53 ambi=2 { CG:34.4 } atom: 671 67I-HA A 3.32 ambi=1 { CA:65.9 } ::sumAvg: 4.365 atom: 726 72E-HB2 B 2.1 ambi=2 { CB:30.5 } atom: 735 73E-HA A 4.55 ambi=1 { CA:55.9 } :: atom: 727 72E-HB3 B 2.19 ambi=2 { CB:30.5 } atom: 735 73E-HA A 4.55 ambi=1 { CA:55.9 } ::sumAvg: 4.32 atom: 735 73E-HA A 4.55 ambi=1 { CA:55.9 } atom: 726 72E-HB2 B 2.1 ambi=2 { CB:30.5 } :: atom: 735 73E-HA A 4.55 ambi=1 { CA:55.9 } atom: 727 72E-HB3 B 2.19 ambi=2 { CB:30.5 } ::sumAvg: 4.32 atom: 727 72E-HB3 B 2.19 ambi=2 { CB:30.5 } atom: 737 73E-HB3 B 1.78 ambi=2 { CB:30.8 } ::sumAvg: 4.485 atom: 737 73E-HB3 B 1.78 ambi=2 { CB:30.8 } atom: 727 72E-HB3 B 2.19 ambi=2 { CB:30.5 } ::sumAvg: 4.485 atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } atom: 675 67I-HG2 G2 0.8 ambi=1 { CG2:16.1 } :: atom: 714 71R-HG3 G 1.82 ambi=2 { CG:27.7 } atom: 675 67I-HG2 G2 0.8 ambi=1 { CG2:16.1 } ::sumAvg: 3.85 atom: 675 67I-HG2 G2 0.8 ambi=1 { CG2:16.1 } atom: 717 71R-HE E 7.27 ambi=1 { NE:84.1 } ::sumAvg: 4.305 atom: 705 70A-HB B 1.26 ambi=1 { CB:18 } atom: 683 68E-H N 7.03 ambi=1 { N:116.5 } ::sumAvg: 4.585 atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } atom: 683 68E-H N 7.03 ambi=1 { N:116.5 } :: atom: 714 71R-HG3 G 1.82 ambi=2 { CG:27.7 } atom: 683 68E-H N 7.03 ambi=1 { N:116.5 } ::sumAvg: 4.875 atom: 684 68E-HA A 3.96 ambi=1 { CA:58.7 } atom: 703 70A-H N 9.29 ambi=1 { N:122.5 } ::sumAvg: 4.315 atom: 684 68E-HA A 3.96 ambi=1 { CA:58.7 } atom: 717 71R-HE E 7.27 ambi=1 { NE:84.1 } ::sumAvg: 3.83 atom: 685 68E-QB B 2.1 ambi=2 { CB:28.5 } atom: 694 69V-HA A 3.74 ambi=1 { CA:65.7 } ::sumAvg: 3.925 atom: 685 68E-QB B 2.1 ambi=2 { CB:28.5 } atom: 703 70A-H N 9.29 ambi=1 { N:122.5 } ::sumAvg: 4.43 atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } atom: 685 68E-QB B 2.1 ambi=2 { CB:28.5 } ::sumAvg: 4.675 atom: 685 68E-QB B 2.1 ambi=2 { CB:28.5 } atom: 715 71R-QD D 3.17 ambi=2 { CD:43.1 } ::sumAvg: 4.84 atom: 715 71R-QD D 3.17 ambi=2 { CD:43.1 } atom: 685 68E-QB B 2.1 ambi=2 { CB:28.5 } ::sumAvg: 4.84 atom: 687 68E-HG2 G 2.31 ambi=2 { CG:35.6 } atom: 715 71R-QD D 3.17 ambi=2 { CD:43.1 } :: atom: 688 68E-HG3 G 2.41 ambi=2 { CG:35.6 } atom: 715 71R-QD D 3.17 ambi=2 { CD:43.1 } ::sumAvg: 4.945 atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } atom: 693 69V-H N 7.44 ambi=1 { N:119.5 } :: atom: 714 71R-HG3 G 1.82 ambi=2 { CG:27.7 } atom: 693 69V-H N 7.44 ambi=1 { N:119.5 } ::sumAvg: 4.605 atom: 694 69V-HA A 3.74 ambi=1 { CA:65.7 } atom: 709 71R-H N 8.28 ambi=1 { N:116.9 } ::sumAvg: 4.53 atom: 694 69V-HA A 3.74 ambi=1 { CA:65.7 } atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } :: atom: 694 69V-HA A 3.74 ambi=1 { CA:65.7 } atom: 714 71R-HG3 G 1.82 ambi=2 { CG:27.7 } ::sumAvg: 4.615 atom: 694 69V-HA A 3.74 ambi=1 { CA:65.7 } atom: 734 73E-H N 8.49 ambi=1 { N:115 } ::sumAvg: 3.26 atom: 736 73E-HB2 B 2.32 ambi=2 { CB:30.8 } atom: 694 69V-HA A 3.74 ambi=1 { CA:65.7 } :: atom: 737 73E-HB3 B 1.78 ambi=2 { CB:30.8 } atom: 694 69V-HA A 3.74 ambi=1 { CA:65.7 } ::sumAvg: 3.96 atom: 694 69V-HA A 3.74 ambi=1 { CA:65.7 } atom: 745 74G-H N 8.07 ambi=1 { N:108.1 } ::sumAvg: 4.945 atom: 695 69V-HB B 1.87 ambi=1 { CB:32 } atom: 734 73E-H N 8.49 ambi=1 { N:115 } ::sumAvg: 4.215 atom: 695 69V-HB B 1.87 ambi=1 { CB:32 } atom: 736 73E-HB2 B 2.32 ambi=2 { CB:30.8 } ::sumAvg: 3.12 atom: 736 73E-HB2 B 2.32 ambi=2 { CB:30.8 } atom: 695 69V-HB B 1.87 ambi=1 { CB:32 } ::sumAvg: 3.12 atom: 695 69V-HB B 1.87 ambi=1 { CB:32 } atom: 745 74G-H N 8.07 ambi=1 { N:108.1 } ::sumAvg: 4.95 atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } atom: 703 70A-H N 9.29 ambi=1 { N:122.5 } :: atom: 714 71R-HG3 G 1.82 ambi=2 { CG:27.7 } atom: 703 70A-H N 9.29 ambi=1 { N:122.5 } ::sumAvg: 3.72 atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } atom: 703 70A-H N 9.29 ambi=1 { N:122.5 } ::sumAvg: 4.935 atom: 798 79L-HD1 D1 0.9 ambi=2 { CD1:25.3 } atom: 703 70A-H N 9.29 ambi=1 { N:122.5 } :: atom: 799 79L-HD2 D2 0.85 ambi=2 { CD2:25.8 } atom: 703 70A-H N 9.29 ambi=1 { N:122.5 } ::sumAvg: 4.03 atom: 704 70A-HA A 3.82 ambi=1 { CA:54.4 } atom: 749 75T-H N 8.76 ambi=1 { N:111.4 } ::sumAvg: 4.84 atom: 704 70A-HA A 3.82 ambi=1 { CA:54.4 } atom: 793 79L-H N 7.69 ambi=1 { N:118.4 } ::sumAvg: 4.785 atom: 714 71R-HG3 G 1.82 ambi=2 { CG:27.7 } atom: 705 70A-HB B 1.26 ambi=1 { CB:18 } ::sumAvg: 4.075 atom: 705 70A-HB B 1.26 ambi=1 { CB:18 } atom: 715 71R-QD D 3.17 ambi=2 { CD:43.1 } ::sumAvg: 4.865 atom: 715 71R-QD D 3.17 ambi=2 { CD:43.1 } atom: 705 70A-HB B 1.26 ambi=1 { CB:18 } ::sumAvg: 4.865 atom: 705 70A-HB B 1.26 ambi=1 { CB:18 } atom: 749 75T-H N 8.76 ambi=1 { N:111.4 } ::sumAvg: 4.81 atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } atom: 705 70A-HB B 1.26 ambi=1 { CB:18 } ::sumAvg: 4.215 atom: 705 70A-HB B 1.26 ambi=1 { CB:18 } atom: 806 80S-H N 8.4 ambi=1 { N:114 } ::sumAvg: 4.615 atom: 705 70A-HB B 1.26 ambi=1 { CB:18 } atom: 823 82L-H N 7.87 ambi=1 { N:120.9 } ::sumAvg: 4.555 atom: 726 72E-HB2 B 2.1 ambi=2 { CB:30.5 } atom: 709 71R-H N 8.28 ambi=1 { N:116.9 } :: atom: 727 72E-HB3 B 2.19 ambi=2 { CB:30.5 } atom: 709 71R-H N 8.28 ambi=1 { N:116.9 } ::sumAvg: 4.935 atom: 728 72E-HG2 G 2.32 ambi=2 { CG:35.6 } atom: 709 71R-H N 8.28 ambi=1 { N:116.9 } :: atom: 729 72E-HG3 G 2.39 ambi=2 { CG:35.6 } atom: 709 71R-H N 8.28 ambi=1 { N:116.9 } ::sumAvg: 4.435 atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } atom: 709 71R-H N 8.28 ambi=1 { N:116.9 } ::sumAvg: 4.47 atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 709 71R-H N 8.28 ambi=1 { N:116.9 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 709 71R-H N 8.28 ambi=1 { N:116.9 } ::sumAvg: 3.695 atom: 710 71R-HA A 3.87 ambi=1 { CA:59.5 } atom: 725 72E-HA A 4.3 ambi=1 { CA:57.7 } ::sumAvg: 4.705 atom: 725 72E-HA A 4.3 ambi=1 { CA:57.7 } atom: 710 71R-HA A 3.87 ambi=1 { CA:59.5 } ::sumAvg: 4.705 atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 710 71R-HA A 3.87 ambi=1 { CA:59.5 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 710 71R-HA A 3.87 ambi=1 { CA:59.5 } ::sumAvg: 3.055 atom: 711 71R-HB2 B 1.91 ambi=2 { CB:30 } atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } :: atom: 712 71R-HB3 B 1.85 ambi=2 { CB:30 } atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } ::sumAvg: 4.995 atom: 711 71R-HB2 B 1.91 ambi=2 { CB:30 } atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } :: atom: 712 71R-HB3 B 1.85 ambi=2 { CB:30 } atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } ::sumAvg: 3.52 atom: 711 71R-HB2 B 1.91 ambi=2 { CB:30 } atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } :: atom: 712 71R-HB3 B 1.85 ambi=2 { CB:30 } atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } ::sumAvg: 4.47 atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } atom: 725 72E-HA A 4.3 ambi=1 { CA:57.7 } :: atom: 714 71R-HG3 G 1.82 ambi=2 { CG:27.7 } atom: 725 72E-HA A 4.3 ambi=1 { CA:57.7 } ::sumAvg: 3.73 atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } atom: 726 72E-HB2 B 2.1 ambi=2 { CB:30.5 } :: atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } atom: 727 72E-HB3 B 2.19 ambi=2 { CB:30.5 } ::sumAvg: 3.975 atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } atom: 728 72E-HG2 G 2.32 ambi=2 { CG:35.6 } :: atom: 713 71R-HG2 G 1.58 ambi=2 { CG:27.7 } atom: 729 72E-HG3 G 2.39 ambi=2 { CG:35.6 } :: atom: 714 71R-HG3 G 1.82 ambi=2 { CG:27.7 } atom: 728 72E-HG2 G 2.32 ambi=2 { CG:35.6 } :: atom: 714 71R-HG3 G 1.82 ambi=2 { CG:27.7 } atom: 729 72E-HG3 G 2.39 ambi=2 { CG:35.6 } ::sumAvg: 2.24 atom: 728 72E-HG2 G 2.32 ambi=2 { CG:35.6 } atom: 715 71R-QD D 3.17 ambi=2 { CD:43.1 } :: atom: 729 72E-HG3 G 2.39 ambi=2 { CG:35.6 } atom: 715 71R-QD D 3.17 ambi=2 { CD:43.1 } ::sumAvg: 3.565 atom: 728 72E-HG2 G 2.32 ambi=2 { CG:35.6 } atom: 717 71R-HE E 7.27 ambi=1 { NE:84.1 } :: atom: 729 72E-HG3 G 2.39 ambi=2 { CG:35.6 } atom: 717 71R-HE E 7.27 ambi=1 { NE:84.1 } ::sumAvg: 4.235 atom: 798 79L-HD1 D1 0.9 ambi=2 { CD1:25.3 } atom: 717 71R-HE E 7.27 ambi=1 { NE:84.1 } :: atom: 799 79L-HD2 D2 0.85 ambi=2 { CD2:25.8 } atom: 717 71R-HE E 7.27 ambi=1 { NE:84.1 } ::sumAvg: 4.485 atom: 738 73E-HG2 G 2.37 ambi=2 { CG:34.9 } atom: 724 72E-H N 7.39 ambi=1 { N:116.8 } :: atom: 739 73E-HG3 G 2.47 ambi=2 { CG:34.9 } atom: 724 72E-H N 7.39 ambi=1 { N:116.8 } ::sumAvg: 4.4 atom: 798 79L-HD1 D1 0.9 ambi=2 { CD1:25.3 } atom: 724 72E-H N 7.39 ambi=1 { N:116.8 } :: atom: 799 79L-HD2 D2 0.85 ambi=2 { CD2:25.8 } atom: 724 72E-H N 7.39 ambi=1 { N:116.8 } ::sumAvg: 4.93 atom: 771 77K-HA A 4 ambi=1 { CA:59.2 } atom: 778 77K-QE E 2.86 ambi=2 { CE:41.9 } ::sumAvg: 4.84 atom: 772 77K-HB2 B 1.64 ambi=2 { CB:31.9 } atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } :: atom: 773 77K-HB3 B 1.79 ambi=2 { CB:31.9 } atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } ::sumAvg: 4.555 atom: 735 73E-HA A 4.55 ambi=1 { CA:55.9 } atom: 746 74G-HA3 A 3.83 ambi=2 { CA:44.6 } ::sumAvg: 4.725 atom: 746 74G-HA3 A 3.83 ambi=2 { CA:44.6 } atom: 735 73E-HA A 4.55 ambi=1 { CA:55.9 } ::sumAvg: 4.725 atom: 744 74G-HA2 A 4.45 ambi=2 { CA:44.6 } atom: 736 73E-HB2 B 2.32 ambi=2 { CB:30.8 } :: atom: 746 74G-HA3 A 3.83 ambi=2 { CA:44.6 } atom: 736 73E-HB2 B 2.32 ambi=2 { CB:30.8 } :: atom: 744 74G-HA2 A 4.45 ambi=2 { CA:44.6 } atom: 737 73E-HB3 B 1.78 ambi=2 { CB:30.8 } :: atom: 746 74G-HA3 A 3.83 ambi=2 { CA:44.6 } atom: 737 73E-HB3 B 1.78 ambi=2 { CB:30.8 } ::sumAvg: 4.29 atom: 738 73E-HG2 G 2.37 ambi=2 { CG:34.9 } atom: 745 74G-H N 8.07 ambi=1 { N:108.1 } :: atom: 739 73E-HG3 G 2.47 ambi=2 { CG:34.9 } atom: 745 74G-H N 8.07 ambi=1 { N:108.1 } ::sumAvg: 4.23 atom: 746 74G-HA3 A 3.83 ambi=2 { CA:44.6 } atom: 750 75T-HA A 4.67 ambi=1 { CA:59 } ::sumAvg: 4.46 atom: 750 75T-HA A 4.67 ambi=1 { CA:59 } atom: 746 74G-HA3 A 3.83 ambi=2 { CA:44.6 } ::sumAvg: 4.46 atom: 788 78D-HB2 B 2.39 ambi=2 { CB:41.4 } atom: 745 74G-H N 8.07 ambi=1 { N:108.1 } :: atom: 789 78D-HB3 B 2.65 ambi=2 { CB:41.4 } atom: 745 74G-H N 8.07 ambi=1 { N:108.1 } ::sumAvg: 4.865 atom: 750 75T-HA A 4.67 ambi=1 { CA:59 } atom: 758 76Q-HA A 3.94 ambi=1 { CA:58.7 } ::sumAvg: 4.405 atom: 758 76Q-HA A 3.94 ambi=1 { CA:58.7 } atom: 750 75T-HA A 4.67 ambi=1 { CA:59 } ::sumAvg: 4.405 atom: 750 75T-HA A 4.67 ambi=1 { CA:59 } atom: 759 76Q-QB B 2.08 ambi=2 { CB:27.9 } ::sumAvg: 4.31 atom: 750 75T-HA A 4.67 ambi=1 { CA:59 } atom: 770 77K-H N 8.24 ambi=1 { N:121 } ::sumAvg: 4.265 atom: 750 75T-HA A 4.67 ambi=1 { CA:59 } atom: 786 78D-H N 7.39 ambi=1 { N:117.8 } ::sumAvg: 4.735 atom: 750 75T-HA A 4.67 ambi=1 { CA:59 } atom: 788 78D-HB2 B 2.39 ambi=2 { CB:41.4 } :: atom: 750 75T-HA A 4.67 ambi=1 { CA:59 } atom: 789 78D-HB3 B 2.65 ambi=2 { CB:41.4 } ::sumAvg: 4.855 atom: 788 78D-HB2 B 2.39 ambi=2 { CB:41.4 } atom: 750 75T-HA A 4.67 ambi=1 { CA:59 } :: atom: 789 78D-HB3 B 2.65 ambi=2 { CB:41.4 } atom: 750 75T-HA A 4.67 ambi=1 { CA:59 } ::sumAvg: 4.855 atom: 772 77K-HB2 B 1.64 ambi=2 { CB:31.9 } atom: 751 75T-HB B 4.58 ambi=1 { CB:70.9 } :: atom: 773 77K-HB3 B 1.79 ambi=2 { CB:31.9 } atom: 751 75T-HB B 4.58 ambi=1 { CB:70.9 } ::sumAvg: 3.735 atom: 751 75T-HB B 4.58 ambi=1 { CB:70.9 } atom: 758 76Q-HA A 3.94 ambi=1 { CA:58.7 } ::sumAvg: 4.73 atom: 758 76Q-HA A 3.94 ambi=1 { CA:58.7 } atom: 751 75T-HB B 4.58 ambi=1 { CB:70.9 } ::sumAvg: 4.73 atom: 751 75T-HB B 4.58 ambi=1 { CB:70.9 } atom: 786 78D-H N 7.39 ambi=1 { N:117.8 } ::sumAvg: 4.055 atom: 772 77K-HB2 B 1.64 ambi=2 { CB:31.9 } atom: 757 76Q-H N 8.71 ambi=1 { N:123.1 } :: atom: 773 77K-HB3 B 1.79 ambi=2 { CB:31.9 } atom: 757 76Q-H N 8.71 ambi=1 { N:123.1 } ::sumAvg: 4.785 atom: 758 76Q-HA A 3.94 ambi=1 { CA:58.7 } atom: 763 76Q-HE21 E2 6.86 ambi=2 { NE2:112.9 } :: atom: 758 76Q-HA A 3.94 ambi=1 { CA:58.7 } atom: 764 76Q-HE22 E2 7.5 ambi=2 { NE2:112.9 } ::sumAvg: 3.35 atom: 758 76Q-HA A 3.94 ambi=1 { CA:58.7 } atom: 806 80S-H N 8.4 ambi=1 { N:114 } ::sumAvg: 4.02 atom: 759 76Q-QB B 2.08 ambi=2 { CB:27.9 } atom: 771 77K-HA A 4 ambi=1 { CA:59.2 } ::sumAvg: 4.32 atom: 759 76Q-QB B 2.08 ambi=2 { CB:27.9 } atom: 772 77K-HB2 B 1.64 ambi=2 { CB:31.9 } ::sumAvg: 4.545 atom: 772 77K-HB2 B 1.64 ambi=2 { CB:31.9 } atom: 759 76Q-QB B 2.08 ambi=2 { CB:27.9 } ::sumAvg: 4.545 atom: 759 76Q-QB B 2.08 ambi=2 { CB:27.9 } atom: 763 76Q-HE21 E2 6.86 ambi=2 { NE2:112.9 } :: atom: 759 76Q-QB B 2.08 ambi=2 { CB:27.9 } atom: 764 76Q-HE22 E2 7.5 ambi=2 { NE2:112.9 } ::sumAvg: 3.19 atom: 759 76Q-QB B 2.08 ambi=2 { CB:27.9 } atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } ::sumAvg: 4.295 atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 759 76Q-QB B 2.08 ambi=2 { CB:27.9 } ::sumAvg: 4.295 atom: 798 79L-HD1 D1 0.9 ambi=2 { CD1:25.3 } atom: 759 76Q-QB B 2.08 ambi=2 { CB:27.9 } :: atom: 799 79L-HD2 D2 0.85 ambi=2 { CD2:25.8 } atom: 759 76Q-QB B 2.08 ambi=2 { CB:27.9 } ::sumAvg: 4.025 atom: 762 76Q-QG G 2.415 ambi=2 { CG:33.6 } atom: 793 79L-H N 7.69 ambi=1 { N:118.4 } ::sumAvg: 4.99 atom: 762 76Q-QG G 2.415 ambi=2 { CG:33.6 } atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } :: atom: 762 76Q-QG G 2.415 ambi=2 { CG:33.6 } atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } ::sumAvg: 3.62 atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 762 76Q-QG G 2.415 ambi=2 { CG:33.6 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 762 76Q-QG G 2.415 ambi=2 { CG:33.6 } ::sumAvg: 3.62 atom: 762 76Q-QG G 2.415 ambi=2 { CG:33.6 } atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } ::sumAvg: 4.855 atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } atom: 762 76Q-QG G 2.415 ambi=2 { CG:33.6 } ::sumAvg: 4.855 atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 763 76Q-HE21 E2 6.86 ambi=2 { NE2:112.9 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 763 76Q-HE21 E2 6.86 ambi=2 { NE2:112.9 } :: atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 764 76Q-HE22 E2 7.5 ambi=2 { NE2:112.9 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 764 76Q-HE22 E2 7.5 ambi=2 { NE2:112.9 } ::sumAvg: 4.26 atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } atom: 763 76Q-HE21 E2 6.86 ambi=2 { NE2:112.9 } :: atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } atom: 764 76Q-HE22 E2 7.5 ambi=2 { NE2:112.9 } ::sumAvg: 4.995 atom: 788 78D-HB2 B 2.39 ambi=2 { CB:41.4 } atom: 770 77K-H N 8.24 ambi=1 { N:121 } :: atom: 789 78D-HB3 B 2.65 ambi=2 { CB:41.4 } atom: 770 77K-H N 8.24 ambi=1 { N:121 } ::sumAvg: 4.875 atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 770 77K-H N 8.24 ambi=1 { N:121 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 770 77K-H N 8.24 ambi=1 { N:121 } ::sumAvg: 4.915 atom: 774 77K-HG2 G 1.27 ambi=2 { CG:24.4 } atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } :: atom: 775 77K-HG3 G 1.34 ambi=2 { CG:24.4 } atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } ::sumAvg: 3.835 atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } atom: 774 77K-HG2 G 1.27 ambi=2 { CG:24.4 } :: atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } atom: 775 77K-HG3 G 1.34 ambi=2 { CG:24.4 } ::sumAvg: 3.835 atom: 778 77K-QE E 2.86 ambi=2 { CE:41.9 } atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } ::sumAvg: 4.935 atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } atom: 778 77K-QE E 2.86 ambi=2 { CE:41.9 } ::sumAvg: 4.935 atom: 778 77K-QE E 2.86 ambi=2 { CE:41.9 } atom: 817 81E-QG G 2 ambi=2 { CG:36 } ::sumAvg: 4.12 atom: 817 81E-QG G 2 ambi=2 { CG:36 } atom: 778 77K-QE E 2.86 ambi=2 { CE:41.9 } ::sumAvg: 4.12 atom: 776 77K-QD D 1.57 ambi=2 { CD:28.9 } atom: 817 81E-QG G 2 ambi=2 { CG:36 } ::sumAvg: 4.08 atom: 817 81E-QG G 2 ambi=2 { CG:36 } atom: 776 77K-QD D 1.57 ambi=2 { CD:28.9 } ::sumAvg: 4.08 atom: 850 84D-HA A 4.34 ambi=1 { CA:57.1 } atom: 857 85A-HA A 3.81 ambi=1 { CA:54.6 } ::sumAvg: 4.805 atom: 857 85A-HA A 3.81 ambi=1 { CA:54.6 } atom: 850 84D-HA A 4.34 ambi=1 { CA:57.1 } ::sumAvg: 4.805 atom: 882 87L-HG G 1.66 ambi=1 { CG:26.7 } atom: 851 84D-HB2 B 2.57 ambi=2 { CB:41 } :: atom: 882 87L-HG G 1.66 ambi=1 { CG:26.7 } atom: 852 84D-HB3 B 2.73 ambi=2 { CB:41 } ::sumAvg: 4.68 atom: 883 87L-HD1 D1 0.87 ambi=2 { CD1:24.5 } atom: 851 84D-HB2 B 2.57 ambi=2 { CB:41 } :: atom: 884 87L-HD2 D2 0.86 ambi=2 { CD2:24.1 } atom: 851 84D-HB2 B 2.57 ambi=2 { CB:41 } :: atom: 883 87L-HD1 D1 0.87 ambi=2 { CD1:24.5 } atom: 852 84D-HB3 B 2.73 ambi=2 { CB:41 } :: atom: 884 87L-HD2 D2 0.86 ambi=2 { CD2:24.1 } atom: 852 84D-HB3 B 2.73 ambi=2 { CB:41 } ::sumAvg: 3.98 atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 786 78D-H N 7.39 ambi=1 { N:117.8 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 786 78D-H N 7.39 ambi=1 { N:117.8 } ::sumAvg: 4.685 atom: 817 81E-QG G 2 ambi=2 { CG:36 } atom: 786 78D-H N 7.39 ambi=1 { N:117.8 } ::sumAvg: 4.595 atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } ::sumAvg: 4.91 atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } ::sumAvg: 4.185 atom: 828 82L-HD1 D1 0.73 ambi=2 { CD1:25.1 } atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } :: atom: 829 82L-HD2 D2 1.24 ambi=2 { CD2:23.9 } atom: 787 78D-HA A 4.17 ambi=1 { CA:57 } ::sumAvg: 4.255 atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 788 78D-HB2 B 2.39 ambi=2 { CB:41.4 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 788 78D-HB2 B 2.39 ambi=2 { CB:41.4 } :: atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 789 78D-HB3 B 2.65 ambi=2 { CB:41.4 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 789 78D-HB3 B 2.65 ambi=2 { CB:41.4 } ::sumAvg: 4.235 atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 788 78D-HB2 B 2.39 ambi=2 { CB:41.4 } :: atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 789 78D-HB3 B 2.65 ambi=2 { CB:41.4 } ::sumAvg: 4.165 atom: 828 82L-HD1 D1 0.73 ambi=2 { CD1:25.1 } atom: 793 79L-H N 7.69 ambi=1 { N:118.4 } :: atom: 829 82L-HD2 D2 1.24 ambi=2 { CD2:23.9 } atom: 793 79L-H N 7.69 ambi=1 { N:118.4 } ::sumAvg: 4.42 atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } atom: 807 80S-HA A 4.17 ambi=1 { CA:61.5 } ::sumAvg: 4.835 atom: 807 80S-HA A 4.17 ambi=1 { CA:61.5 } atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } ::sumAvg: 4.835 atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } ::sumAvg: 4.335 atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } atom: 836 83Q-H N 8.52 ambi=1 { N:118.3 } ::sumAvg: 4.21 atom: 840 83Q-HG2 G 2.27 ambi=2 { CG:34.4 } atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } :: atom: 841 83Q-HG3 G 2.53 ambi=2 { CG:34.4 } atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } ::sumAvg: 3.91 atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } atom: 842 83Q-HE21 E2 7.1 ambi=2 { NE2:110.2 } :: atom: 794 79L-HA A 3.77 ambi=1 { CA:58.1 } atom: 843 83Q-HE22 E2 6.81 ambi=2 { NE2:110.2 } ::sumAvg: 4.775 atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 807 80S-HA A 4.17 ambi=1 { CA:61.5 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 807 80S-HA A 4.17 ambi=1 { CA:61.5 } ::sumAvg: 4.27 atom: 807 80S-HA A 4.17 ambi=1 { CA:61.5 } atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } :: atom: 807 80S-HA A 4.17 ambi=1 { CA:61.5 } atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } ::sumAvg: 4.27 atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 813 81E-H N 7.93 ambi=1 { N:121 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 813 81E-H N 7.93 ambi=1 { N:121 } ::sumAvg: 4.945 atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 842 83Q-HE21 E2 7.1 ambi=2 { NE2:110.2 } :: atom: 795 79L-HB2 B 1.37 ambi=2 { CB:42.1 } atom: 843 83Q-HE22 E2 6.81 ambi=2 { NE2:110.2 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 842 83Q-HE21 E2 7.1 ambi=2 { NE2:110.2 } :: atom: 796 79L-HB3 B 1.84 ambi=2 { CB:42.1 } atom: 843 83Q-HE22 E2 6.81 ambi=2 { NE2:110.2 } ::sumAvg: 4.475 atom: 808 80S-QB B 3.92 ambi=2 { CB:62.5 } atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } ::sumAvg: 4.865 atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } atom: 836 83Q-H N 8.52 ambi=1 { N:118.3 } ::sumAvg: 4.85 atom: 838 83Q-HB2 B 2.22 ambi=2 { CB:28.3 } atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } :: atom: 839 83Q-HB3 B 1.95 ambi=2 { CB:28.3 } atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } ::sumAvg: 4.44 atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } atom: 840 83Q-HG2 G 2.27 ambi=2 { CG:34.4 } :: atom: 797 79L-HG G 1.44 ambi=1 { CG:27 } atom: 841 83Q-HG3 G 2.53 ambi=2 { CG:34.4 } ::sumAvg: 3.37 atom: 798 79L-HD1 D1 0.9 ambi=2 { CD1:25.3 } atom: 807 80S-HA A 4.17 ambi=1 { CA:61.5 } :: atom: 799 79L-HD2 D2 0.85 ambi=2 { CD2:25.8 } atom: 807 80S-HA A 4.17 ambi=1 { CA:61.5 } ::sumAvg: 4.715 atom: 798 79L-HD1 D1 0.9 ambi=2 { CD1:25.3 } atom: 823 82L-H N 7.87 ambi=1 { N:120.9 } :: atom: 799 79L-HD2 D2 0.85 ambi=2 { CD2:25.8 } atom: 823 82L-H N 7.87 ambi=1 { N:120.9 } ::sumAvg: 4.995 atom: 815 81E-HB2 B 1.89 ambi=2 { CB:29 } atom: 806 80S-H N 8.4 ambi=1 { N:114 } :: atom: 816 81E-HB3 B 1.98 ambi=2 { CB:29 } atom: 806 80S-H N 8.4 ambi=1 { N:114 } ::sumAvg: 4.8 atom: 817 81E-QG G 2 ambi=2 { CG:36 } atom: 806 80S-H N 8.4 ambi=1 { N:114 } ::sumAvg: 4.41 atom: 851 84D-HB2 B 2.57 ambi=2 { CB:41 } atom: 807 80S-HA A 4.17 ambi=1 { CA:61.5 } :: atom: 852 84D-HB3 B 2.73 ambi=2 { CB:41 } atom: 807 80S-HA A 4.17 ambi=1 { CA:61.5 } ::sumAvg: 4.725 atom: 807 80S-HA A 4.17 ambi=1 { CA:61.5 } atom: 823 82L-H N 7.87 ambi=1 { N:120.9 } ::sumAvg: 4.525 atom: 808 80S-QB B 3.92 ambi=2 { CB:62.5 } atom: 851 84D-HB2 B 2.57 ambi=2 { CB:41 } :: atom: 808 80S-QB B 3.92 ambi=2 { CB:62.5 } atom: 852 84D-HB3 B 2.73 ambi=2 { CB:41 } ::sumAvg: 4.735 atom: 808 80S-QB B 3.92 ambi=2 { CB:62.5 } atom: 823 82L-H N 7.87 ambi=1 { N:120.9 } ::sumAvg: 4.885 atom: 808 80S-QB B 3.92 ambi=2 { CB:62.5 } atom: 849 84D-H N 8.14 ambi=1 { N:119.7 } ::sumAvg: 4.975 atom: 825 82L-HB2 B 1.98 ambi=2 { CB:43.9 } atom: 813 81E-H N 7.93 ambi=1 { N:121 } :: atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } atom: 813 81E-H N 7.93 ambi=1 { N:121 } ::sumAvg: 4.78 atom: 827 82L-HG G 1.95 ambi=1 { CG:27.5 } atom: 813 81E-H N 7.93 ambi=1 { N:121 } ::sumAvg: 4.44 atom: 858 85A-HB B 0.78 ambi=1 { CB:16.2 } atom: 814 81E-HA A 4.03 ambi=1 { CA:59 } ::sumAvg: 4.33 atom: 814 81E-HA A 4.03 ambi=1 { CA:59 } atom: 856 85A-H N 7.74 ambi=1 { N:121.6 } ::sumAvg: 4.07 atom: 815 81E-HB2 B 1.89 ambi=2 { CB:29 } atom: 851 84D-HB2 B 2.57 ambi=2 { CB:41 } :: atom: 815 81E-HB2 B 1.89 ambi=2 { CB:29 } atom: 852 84D-HB3 B 2.73 ambi=2 { CB:41 } :: atom: 816 81E-HB3 B 1.98 ambi=2 { CB:29 } atom: 851 84D-HB2 B 2.57 ambi=2 { CB:41 } :: atom: 816 81E-HB3 B 1.98 ambi=2 { CB:29 } atom: 852 84D-HB3 B 2.73 ambi=2 { CB:41 } ::sumAvg: 4.725 atom: 815 81E-HB2 B 1.89 ambi=2 { CB:29 } atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } :: atom: 816 81E-HB3 B 1.98 ambi=2 { CB:29 } atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } ::sumAvg: 4.82 atom: 815 81E-HB2 B 1.89 ambi=2 { CB:29 } atom: 858 85A-HB B 0.78 ambi=1 { CB:16.2 } :: atom: 816 81E-HB3 B 1.98 ambi=2 { CB:29 } atom: 858 85A-HB B 0.78 ambi=1 { CB:16.2 } ::sumAvg: 4.19 atom: 817 81E-QG G 2 ambi=2 { CG:36 } atom: 851 84D-HB2 B 2.57 ambi=2 { CB:41 } :: atom: 817 81E-QG G 2 ambi=2 { CG:36 } atom: 852 84D-HB3 B 2.73 ambi=2 { CB:41 } ::sumAvg: 4.965 atom: 851 84D-HB2 B 2.57 ambi=2 { CB:41 } atom: 817 81E-QG G 2 ambi=2 { CG:36 } :: atom: 852 84D-HB3 B 2.73 ambi=2 { CB:41 } atom: 817 81E-QG G 2 ambi=2 { CG:36 } ::sumAvg: 4.965 atom: 840 83Q-HG2 G 2.27 ambi=2 { CG:34.4 } atom: 823 82L-H N 7.87 ambi=1 { N:120.9 } :: atom: 841 83Q-HG3 G 2.53 ambi=2 { CG:34.4 } atom: 823 82L-H N 7.87 ambi=1 { N:120.9 } ::sumAvg: 4.48 atom: 824 82L-HA A 3.89 ambi=1 { CA:57.9 } atom: 849 84D-H N 8.14 ambi=1 { N:119.7 } ::sumAvg: 4.445 atom: 838 83Q-HB2 B 2.22 ambi=2 { CB:28.3 } atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } :: atom: 839 83Q-HB3 B 1.95 ambi=2 { CB:28.3 } atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } ::sumAvg: 4.97 atom: 825 82L-HB2 B 1.98 ambi=2 { CB:43.9 } atom: 841 83Q-HG3 G 2.53 ambi=2 { CG:34.4 } :: atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } atom: 840 83Q-HG2 G 2.27 ambi=2 { CG:34.4 } :: atom: 826 82L-HB3 B 1.37 ambi=2 { CB:43.9 } atom: 841 83Q-HG3 G 2.53 ambi=2 { CG:34.4 } ::sumAvg: 3.625 atom: 829 82L-HD2 D2 1.24 ambi=2 { CD2:23.9 } atom: 858 85A-HB B 0.78 ambi=1 { CB:16.2 } ::sumAvg: 3.53 atom: 866 86K-HG2 G 1.41 ambi=2 { CG:25.4 } atom: 836 83Q-H N 8.52 ambi=1 { N:118.3 } :: atom: 867 86K-HG3 G 1.63 ambi=2 { CG:25.4 } atom: 836 83Q-H N 8.52 ambi=1 { N:118.3 } ::sumAvg: 4.555 atom: 868 86K-QD D 1.59 ambi=2 { CD:30.7 } atom: 836 83Q-H N 8.52 ambi=1 { N:118.3 } ::sumAvg: 4.99 atom: 837 83Q-HA A 3.9 ambi=1 { CA:59.2 } atom: 850 84D-HA A 4.34 ambi=1 { CA:57.1 } ::sumAvg: 4.865 atom: 850 84D-HA A 4.34 ambi=1 { CA:57.1 } atom: 837 83Q-HA A 3.9 ambi=1 { CA:59.2 } ::sumAvg: 4.865 atom: 837 83Q-HA A 3.9 ambi=1 { CA:59.2 } atom: 856 85A-H N 7.74 ambi=1 { N:121.6 } ::sumAvg: 4.55 atom: 837 83Q-HA A 3.9 ambi=1 { CA:59.2 } atom: 878 87L-H N 7.78 ambi=1 { N:118.4 } ::sumAvg: 4.285 atom: 838 83Q-HB2 B 2.22 ambi=2 { CB:28.3 } atom: 850 84D-HA A 4.34 ambi=1 { CA:57.1 } :: atom: 839 83Q-HB3 B 1.95 ambi=2 { CB:28.3 } atom: 850 84D-HA A 4.34 ambi=1 { CA:57.1 } ::sumAvg: 4.43 atom: 838 83Q-HB2 B 2.22 ambi=2 { CB:28.3 } atom: 866 86K-HG2 G 1.41 ambi=2 { CG:25.4 } :: atom: 838 83Q-HB2 B 2.22 ambi=2 { CB:28.3 } atom: 867 86K-HG3 G 1.63 ambi=2 { CG:25.4 } :: atom: 839 83Q-HB3 B 1.95 ambi=2 { CB:28.3 } atom: 866 86K-HG2 G 1.41 ambi=2 { CG:25.4 } ::sumAvg: 4.47 atom: 838 83Q-HB2 B 2.22 ambi=2 { CB:28.3 } atom: 868 86K-QD D 1.59 ambi=2 { CD:30.7 } ::sumAvg: 4.465 atom: 868 86K-QD D 1.59 ambi=2 { CD:30.7 } atom: 838 83Q-HB2 B 2.22 ambi=2 { CB:28.3 } ::sumAvg: 4.465 atom: 838 83Q-HB2 B 2.22 ambi=2 { CB:28.3 } atom: 880 87L-HB2 B 1.62 ambi=2 { CB:41.9 } :: atom: 838 83Q-HB2 B 2.22 ambi=2 { CB:28.3 } atom: 881 87L-HB3 B 1.74 ambi=2 { CB:41.9 } ::sumAvg: 4.99 atom: 880 87L-HB2 B 1.62 ambi=2 { CB:41.9 } atom: 838 83Q-HB2 B 2.22 ambi=2 { CB:28.3 } :: atom: 881 87L-HB3 B 1.74 ambi=2 { CB:41.9 } atom: 838 83Q-HB2 B 2.22 ambi=2 { CB:28.3 } ::sumAvg: 4.99 atom: 866 86K-HG2 G 1.41 ambi=2 { CG:25.4 } atom: 840 83Q-HG2 G 2.27 ambi=2 { CG:34.4 } :: atom: 867 86K-HG3 G 1.63 ambi=2 { CG:25.4 } atom: 840 83Q-HG2 G 2.27 ambi=2 { CG:34.4 } :: atom: 866 86K-HG2 G 1.41 ambi=2 { CG:25.4 } atom: 841 83Q-HG3 G 2.53 ambi=2 { CG:34.4 } :: atom: 867 86K-HG3 G 1.63 ambi=2 { CG:25.4 } atom: 841 83Q-HG3 G 2.53 ambi=2 { CG:34.4 } ::sumAvg: 4.675 atom: 868 86K-QD D 1.59 ambi=2 { CD:30.7 } atom: 840 83Q-HG2 G 2.27 ambi=2 { CG:34.4 } :: atom: 868 86K-QD D 1.59 ambi=2 { CD:30.7 } atom: 841 83Q-HG3 G 2.53 ambi=2 { CG:34.4 } ::sumAvg: 3.76 atom: 866 86K-HG2 G 1.41 ambi=2 { CG:25.4 } atom: 849 84D-H N 8.14 ambi=1 { N:119.7 } :: atom: 867 86K-HG3 G 1.63 ambi=2 { CG:25.4 } atom: 849 84D-H N 8.14 ambi=1 { N:119.7 } ::sumAvg: 4.72 atom: 882 87L-HG G 1.66 ambi=1 { CG:26.7 } atom: 849 84D-H N 8.14 ambi=1 { N:119.7 } ::sumAvg: 4.63 atom: 883 87L-HD1 D1 0.87 ambi=2 { CD1:24.5 } atom: 849 84D-H N 8.14 ambi=1 { N:119.7 } :: atom: 884 87L-HD2 D2 0.86 ambi=2 { CD2:24.1 } atom: 849 84D-H N 8.14 ambi=1 { N:119.7 } ::sumAvg: 4.03 atom: 898 88K-QD D 1.605 ambi=2 { CD:28.9 } atom: 858 85A-HB B 0.78 ambi=1 { CB:16.2 } ::sumAvg: 4.205 atom: 858 85A-HB B 0.78 ambi=1 { CB:16.2 } atom: 899 88K-QE E 2.94 ambi=2 { CE:41.8 } ::sumAvg: 3.71 atom: 858 85A-HB B 0.78 ambi=1 { CB:16.2 } atom: 907 89A-H N 8 ambi=1 { N:122.4 } ::sumAvg: 4.78 atom: 857 85A-HA A 3.81 ambi=1 { CA:54.6 } atom: 882 87L-HG G 1.66 ambi=1 { CG:26.7 } ::sumAvg: 4.995 atom: 882 87L-HG G 1.66 ambi=1 { CG:26.7 } atom: 857 85A-HA A 3.81 ambi=1 { CA:54.6 } ::sumAvg: 4.995 atom: 857 85A-HA A 3.81 ambi=1 { CA:54.6 } atom: 899 88K-QE E 2.94 ambi=2 { CE:41.8 } ::sumAvg: 3.08 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 862 86K-H N 8.07 ambi=1 { N:120.2 } ::sumAvg: 4.495 atom: 863 86K-HA A 3.81 ambi=1 { CA:60.6 } atom: 891 88K-H N 7.9 ambi=1 { N:118.7 } ::sumAvg: 4.515 atom: 863 86K-HA A 3.81 ambi=1 { CA:60.6 } atom: 913 90E-H N 8.3 ambi=1 { N:116.7 } ::sumAvg: 4.08 atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } atom: 863 86K-HA A 3.81 ambi=1 { CA:60.6 } :: atom: 918 90E-HG3 G 2.59 ambi=2 { CG:37.2 } atom: 863 86K-HA A 3.81 ambi=1 { CA:60.6 } ::sumAvg: 4.225 atom: 864 86K-HB2 B 1.7 ambi=2 { CB:33.3 } atom: 879 87L-HA A 4.16 ambi=1 { CA:57.5 } :: atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } atom: 879 87L-HA A 4.16 ambi=1 { CA:57.5 } ::sumAvg: 4.45 atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } ::sumAvg: 4.015 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } ::sumAvg: 4.015 atom: 864 86K-HB2 B 1.7 ambi=2 { CB:33.3 } atom: 913 90E-H N 8.3 ambi=1 { N:116.7 } :: atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } atom: 913 90E-H N 8.3 ambi=1 { N:116.7 } ::sumAvg: 4.99 atom: 864 86K-HB2 B 1.7 ambi=2 { CB:33.3 } atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } :: atom: 864 86K-HB2 B 1.7 ambi=2 { CB:33.3 } atom: 918 90E-HG3 G 2.59 ambi=2 { CG:37.2 } :: atom: 865 86K-HB3 B 1.93 ambi=2 { CB:33.3 } atom: 918 90E-HG3 G 2.59 ambi=2 { CG:37.2 } ::sumAvg: 3.87 atom: 866 86K-HG2 G 1.41 ambi=2 { CG:25.4 } atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } :: atom: 866 86K-HG2 G 1.41 ambi=2 { CG:25.4 } atom: 918 90E-HG3 G 2.59 ambi=2 { CG:37.2 } :: atom: 867 86K-HG3 G 1.63 ambi=2 { CG:25.4 } atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } :: atom: 867 86K-HG3 G 1.63 ambi=2 { CG:25.4 } atom: 918 90E-HG3 G 2.59 ambi=2 { CG:37.2 } ::sumAvg: 4.635 atom: 870 86K-HE2 E 3.1 ambi=2 { CE:41.9 } atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } :: atom: 870 86K-HE2 E 3.1 ambi=2 { CE:41.9 } atom: 918 90E-HG3 G 2.59 ambi=2 { CG:37.2 } :: atom: 871 86K-HE3 E 2.89 ambi=2 { CE:41.9 } atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } ::sumAvg: 4.875 atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } atom: 870 86K-HE2 E 3.1 ambi=2 { CE:41.9 } :: atom: 918 90E-HG3 G 2.59 ambi=2 { CG:37.2 } atom: 870 86K-HE2 E 3.1 ambi=2 { CE:41.9 } :: atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } atom: 871 86K-HE3 E 2.89 ambi=2 { CE:41.9 } ::sumAvg: 4.875 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 878 87L-H N 7.78 ambi=1 { N:118.4 } ::sumAvg: 4.685 atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } atom: 878 87L-H N 7.78 ambi=1 { N:118.4 } :: atom: 918 90E-HG3 G 2.59 ambi=2 { CG:37.2 } atom: 878 87L-H N 7.78 ambi=1 { N:118.4 } ::sumAvg: 4.735 atom: 879 87L-HA A 4.16 ambi=1 { CA:57.5 } atom: 907 89A-H N 8 ambi=1 { N:122.4 } ::sumAvg: 4.45 atom: 879 87L-HA A 4.16 ambi=1 { CA:57.5 } atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } ::sumAvg: 4.925 atom: 879 87L-HA A 4.16 ambi=1 { CA:57.5 } atom: 924 91G-H N 7.71 ambi=1 { N:106 } ::sumAvg: 4.96 atom: 880 87L-HB2 B 1.62 ambi=2 { CB:41.9 } atom: 915 90E-HB2 B 2.24 ambi=2 { CB:29.7 } :: atom: 881 87L-HB3 B 1.74 ambi=2 { CB:41.9 } atom: 915 90E-HB2 B 2.24 ambi=2 { CB:29.7 } ::sumAvg: 4.47 atom: 880 87L-HB2 B 1.62 ambi=2 { CB:41.9 } atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } :: atom: 880 87L-HB2 B 1.62 ambi=2 { CB:41.9 } atom: 918 90E-HG3 G 2.59 ambi=2 { CG:37.2 } :: atom: 881 87L-HB3 B 1.74 ambi=2 { CB:41.9 } atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } :: atom: 881 87L-HB3 B 1.74 ambi=2 { CB:41.9 } atom: 918 90E-HG3 G 2.59 ambi=2 { CG:37.2 } ::sumAvg: 4.88 atom: 898 88K-QD D 1.605 ambi=2 { CD:28.9 } atom: 883 87L-HD1 D1 0.87 ambi=2 { CD1:24.5 } :: atom: 898 88K-QD D 1.605 ambi=2 { CD:28.9 } atom: 884 87L-HD2 D2 0.86 ambi=2 { CD2:24.1 } ::sumAvg: 4.625 atom: 899 88K-QE E 2.94 ambi=2 { CE:41.8 } atom: 891 88K-H N 7.9 ambi=1 { N:118.7 } ::sumAvg: 4.74 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 891 88K-H N 7.9 ambi=1 { N:118.7 } ::sumAvg: 4.23 atom: 892 88K-HA A 3.96 ambi=1 { CA:59.2 } atom: 915 90E-HB2 B 2.24 ambi=2 { CB:29.7 } :: atom: 892 88K-HA A 3.96 ambi=1 { CA:59.2 } atom: 916 90E-HB3 B 1.98 ambi=2 { CB:29.7 } ::sumAvg: 4.695 atom: 893 88K-HB2 B 1.79 ambi=2 { CB:32 } atom: 908 89A-HA A 4.15 ambi=1 { CA:54.5 } :: atom: 894 88K-HB3 B 1.81 ambi=2 { CB:32 } atom: 908 89A-HA A 4.15 ambi=1 { CA:54.5 } ::sumAvg: 4.83 atom: 898 88K-QD D 1.605 ambi=2 { CD:28.9 } atom: 933 92L-HD1 D1 0.91 ambi=2 { CD1:25.2 } :: atom: 898 88K-QD D 1.605 ambi=2 { CD:28.9 } atom: 934 92L-HD2 D2 0.84 ambi=2 { CD2:22.7 } ::sumAvg: 4.6 atom: 899 88K-QE E 2.94 ambi=2 { CE:41.8 } atom: 907 89A-H N 8 ambi=1 { N:122.4 } ::sumAvg: 4.025 atom: 899 88K-QE E 2.94 ambi=2 { CE:41.8 } atom: 908 89A-HA A 4.15 ambi=1 { CA:54.5 } ::sumAvg: 4.6 atom: 908 89A-HA A 4.15 ambi=1 { CA:54.5 } atom: 899 88K-QE E 2.94 ambi=2 { CE:41.8 } ::sumAvg: 4.6 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 899 88K-QE E 2.94 ambi=2 { CE:41.8 } ::sumAvg: 3.73 atom: 933 92L-HD1 D1 0.91 ambi=2 { CD1:25.2 } atom: 899 88K-QE E 2.94 ambi=2 { CE:41.8 } :: atom: 934 92L-HD2 D2 0.84 ambi=2 { CD2:22.7 } atom: 899 88K-QE E 2.94 ambi=2 { CE:41.8 } ::sumAvg: 4.62 atom: 915 90E-HB2 B 2.24 ambi=2 { CB:29.7 } atom: 907 89A-H N 8 ambi=1 { N:122.4 } :: atom: 916 90E-HB3 B 1.98 ambi=2 { CB:29.7 } atom: 907 89A-H N 8 ambi=1 { N:122.4 } ::sumAvg: 4.8 atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } atom: 907 89A-H N 8 ambi=1 { N:122.4 } :: atom: 918 90E-HG3 G 2.59 ambi=2 { CG:37.2 } atom: 907 89A-H N 8 ambi=1 { N:122.4 } ::sumAvg: 4.535 atom: 932 92L-HG G 1.75 ambi=1 { CG:26.6 } atom: 907 89A-H N 8 ambi=1 { N:122.4 } ::sumAvg: 4.775 atom: 933 92L-HD1 D1 0.91 ambi=2 { CD1:25.2 } atom: 907 89A-H N 8 ambi=1 { N:122.4 } :: atom: 934 92L-HD2 D2 0.84 ambi=2 { CD2:22.7 } atom: 907 89A-H N 8 ambi=1 { N:122.4 } ::sumAvg: 4.715 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 914 90E-HA A 3.93 ambi=1 { CA:58 } ::sumAvg: 4.09 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 915 90E-HB2 B 2.24 ambi=2 { CB:29.7 } :: atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 916 90E-HB3 B 1.98 ambi=2 { CB:29.7 } ::sumAvg: 4.855 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 917 90E-HG2 G 2.23 ambi=2 { CG:37.2 } :: atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 918 90E-HG3 G 2.59 ambi=2 { CG:37.2 } ::sumAvg: 3.72 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 924 91G-H N 7.71 ambi=1 { N:106 } ::sumAvg: 4.43 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 928 92L-H N 7.64 ambi=1 { N:121.2 } ::sumAvg: 4.42 atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 945 93E-HG2 G 2.1 ambi=2 { CG:36 } :: atom: 909 89A-HB B 1.53 ambi=1 { CB:17.8 } atom: 946 93E-HG3 G 2.19 ambi=2 { CG:36 } ::sumAvg: 4.96 atom: 914 90E-HA A 3.93 ambi=1 { CA:58 } atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } ::sumAvg: 4.815 atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } atom: 914 90E-HA A 3.93 ambi=1 { CA:58 } ::sumAvg: 4.815 atom: 925 91G-HA3 A 3.87 ambi=2 { CA:45.5 } atom: 915 90E-HB2 B 2.24 ambi=2 { CB:29.7 } :: atom: 923 91G-HA2 A 4.07 ambi=2 { CA:45.5 } atom: 915 90E-HB2 B 2.24 ambi=2 { CB:29.7 } :: atom: 925 91G-HA3 A 3.87 ambi=2 { CA:45.5 } atom: 916 90E-HB3 B 1.98 ambi=2 { CB:29.7 } :: atom: 923 91G-HA2 A 4.07 ambi=2 { CA:45.5 } atom: 916 90E-HB3 B 1.98 ambi=2 { CB:29.7 } ::sumAvg: 4.505 atom: 925 91G-HA3 A 3.87 ambi=2 { CA:45.5 } atom: 929 92L-HA A 4.27 ambi=1 { CA:55.2 } ::sumAvg: 4.565 atom: 932 92L-HG G 1.75 ambi=1 { CG:26.6 } atom: 925 91G-HA3 A 3.87 ambi=2 { CA:45.5 } :: atom: 932 92L-HG G 1.75 ambi=1 { CG:26.6 } atom: 923 91G-HA2 A 4.07 ambi=2 { CA:45.5 } ::sumAvg: 4.77 atom: 925 91G-HA3 A 3.87 ambi=2 { CA:45.5 } atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } :: atom: 923 91G-HA2 A 4.07 ambi=2 { CA:45.5 } atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } ::sumAvg: 4.15 atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } atom: 925 91G-HA3 A 3.87 ambi=2 { CA:45.5 } :: atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } atom: 923 91G-HA2 A 4.07 ambi=2 { CA:45.5 } ::sumAvg: 4.15 atom: 930 92L-HB2 B 1.76 ambi=2 { CB:42.1 } atom: 924 91G-H N 7.71 ambi=1 { N:106 } :: atom: 931 92L-HB3 B 1.52 ambi=2 { CB:42.1 } atom: 924 91G-H N 7.71 ambi=1 { N:106 } ::sumAvg: 4.89 atom: 932 92L-HG G 1.75 ambi=1 { CG:26.6 } atom: 924 91G-H N 7.71 ambi=1 { N:106 } ::sumAvg: 4.21 atom: 942 93E-HA A 4.13 ambi=1 { CA:56.7 } atom: 930 92L-HB2 B 1.76 ambi=2 { CB:42.1 } :: atom: 942 93E-HA A 4.13 ambi=1 { CA:56.7 } atom: 931 92L-HB3 B 1.52 ambi=2 { CB:42.1 } ::sumAvg: 4.39 atom: 930 92L-HB2 B 1.76 ambi=2 { CB:42.1 } atom: 946 93E-HG3 G 2.19 ambi=2 { CG:36 } :: atom: 931 92L-HB3 B 1.52 ambi=2 { CB:42.1 } atom: 945 93E-HG2 G 2.1 ambi=2 { CG:36 } :: atom: 931 92L-HB3 B 1.52 ambi=2 { CB:42.1 } atom: 946 93E-HG3 G 2.19 ambi=2 { CG:36 } ::sumAvg: 3.11 atom: 944 93E-QB B 1.895 ambi=2 { CB:29.7 } atom: 928 92L-H N 7.64 ambi=1 { N:121.2 } ::sumAvg: 4.98 atom: 942 93E-HA A 4.13 ambi=1 { CA:56.7 } atom: 952 94H-HA A 4.56 ambi=1 { CA:55.4 } ::sumAvg: 4.92 atom: 952 94H-HA A 4.56 ambi=1 { CA:55.4 } atom: 942 93E-HA A 4.13 ambi=1 { CA:56.7 } ::sumAvg: 4.92 atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } atom: 942 93E-HA A 4.13 ambi=1 { CA:56.7 } ::sumAvg: 4.745 atom: 942 93E-HA A 4.13 ambi=1 { CA:56.7 } atom: 958 95H-H N 8.17 ambi=1 { N:125.4 } ::sumAvg: 4.67 atom: 944 93E-QB B 1.895 ambi=2 { CB:29.7 } atom: 952 94H-HA A 4.56 ambi=1 { CA:55.4 } ::sumAvg: 4.615 atom: 952 94H-HA A 4.56 ambi=1 { CA:55.4 } atom: 944 93E-QB B 1.895 ambi=2 { CB:29.7 } ::sumAvg: 4.615 atom: 944 93E-QB B 1.895 ambi=2 { CB:29.7 } atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } ::sumAvg: 4.455 atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } atom: 944 93E-QB B 1.895 ambi=2 { CB:29.7 } ::sumAvg: 4.455 atom: 944 93E-QB B 1.895 ambi=2 { CB:29.7 } atom: 958 95H-H N 8.17 ambi=1 { N:125.4 } ::sumAvg: 4.845 atom: 945 93E-HG2 G 2.1 ambi=2 { CG:36 } atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } :: atom: 946 93E-HG3 G 2.19 ambi=2 { CG:36 } atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } ::sumAvg: 4.68 atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } atom: 945 93E-HG2 G 2.1 ambi=2 { CG:36 } :: atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } atom: 946 93E-HG3 G 2.19 ambi=2 { CG:36 } ::sumAvg: 4.68 atom: 952 94H-HA A 4.56 ambi=1 { CA:55.4 } atom: 958 95H-H N 8.17 ambi=1 { N:125.4 } ::sumAvg: 2.825 atom: 952 94H-HA A 4.56 ambi=1 { CA:55.4 } atom: 961 95H-QB B 3.185 ambi=2 { CB:30 } ::sumAvg: 4.705 atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } atom: 959 95H-HA A 4.41 ambi=1 { CA:57 } ::sumAvg: 4.95 atom: 959 95H-HA A 4.41 ambi=1 { CA:57 } atom: 953 94H-QB B 3.075 ambi=2 { CB:29.7 } ::sumAvg: 4.95