# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 1116 8H-H N 8.706 ambi=1 { N:121.2 } atom: 1 8H-HA A 4.706 ambi=1 { CA:55.156 } ::sumAvg: 2.61 atom: 1138 4H-H N 8.528 ambi=1 { N:118.99 } atom: 1149 3H-HB3 B 3.14 ambi=2 { CB:29.25 } :: atom: 1138 4H-H N 8.528 ambi=1 { N:118.99 } atom: 1150 3H-HB2 B 3.04 ambi=2 { CB:29.25 } ::sumAvg: 3.385 atom: 1138 4H-H N 8.528 ambi=1 { N:118.99 } atom: 1142 4H-HB3 B 3.11 ambi=2 { CB:29.002 } :: atom: 1138 4H-H N 8.528 ambi=1 { N:118.99 } atom: 1143 4H-HB2 B 3.05 ambi=2 { CB:29.002 } ::sumAvg: 2.98 atom: 1131 5H-H N 8.579 ambi=1 { N:119.72 } atom: 1142 4H-HB3 B 3.11 ambi=2 { CB:29.002 } :: atom: 1131 5H-H N 8.579 ambi=1 { N:119.72 } atom: 1143 4H-HB2 B 3.05 ambi=2 { CB:29.002 } ::sumAvg: 3.255 atom: 1124 6H-H N 8.603 ambi=1 { N:121.42 } atom: 1142 4H-HB3 B 3.11 ambi=2 { CB:29.002 } :: atom: 1124 6H-H N 8.603 ambi=1 { N:121.42 } atom: 1143 4H-HB2 B 3.05 ambi=2 { CB:29.002 } ::sumAvg: 4.935 atom: 1131 5H-H N 8.579 ambi=1 { N:119.72 } atom: 1135 5H-QB B 3.249 ambi=2 { CB:29.257 } ::sumAvg: 2.69 atom: 1124 6H-H N 8.603 ambi=1 { N:121.42 } atom: 1135 5H-QB B 3.249 ambi=2 { CB:29.257 } ::sumAvg: 3.09 atom: 1124 6H-H N 8.603 ambi=1 { N:121.42 } atom: 1128 6H-QB B 3.157 ambi=2 { CB:27.34 } ::sumAvg: 2.76 atom: 1124 6H-H N 8.603 ambi=1 { N:121.42 } atom: 1130 6H-HA A 4.674 ambi=1 { CA:55.15 } ::sumAvg: 2.61 atom: 1116 8H-H N 8.706 ambi=1 { N:121.2 } atom: 1117 7H-HA A 4.658 ambi=1 { CA:55.1 } ::sumAvg: 2.735 atom: 6 9S-H N 8.551 ambi=1 { N:118.046 } atom: 1117 7H-HA A 4.658 ambi=1 { CA:55.1 } ::sumAvg: 4.775 atom: 6 9S-H N 8.551 ambi=1 { N:118.046 } atom: 1118 7H-QB B 3.157 ambi=2 { CB:29.3 } ::sumAvg: 4.77 atom: 985 12T-H N 8.339 ambi=1 { N:115.7 } atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } ::sumAvg: 4.955 atom: 973 11M-H N 8.528 ambi=1 { N:122.4 } atom: 980 11M-HG2 G 2.271 ambi=2 { CG:33.49 } :: atom: 973 11M-H N 8.528 ambi=1 { N:122.4 } atom: 981 11M-HG3 G 2.348 ambi=2 { CG:33.49 } ::sumAvg: 2.97 atom: 973 11M-H N 8.528 ambi=1 { N:122.4 } atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } ::sumAvg: 4.935 atom: 985 12T-H N 8.339 ambi=1 { N:115.7 } atom: 980 11M-HG2 G 2.271 ambi=2 { CG:33.49 } :: atom: 985 12T-H N 8.339 ambi=1 { N:115.7 } atom: 981 11M-HG3 G 2.348 ambi=2 { CG:33.49 } ::sumAvg: 4.965 atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } atom: 27 14N-HA A 4.72 ambi=1 { CA:54.2 } :: atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } atom: 27 14N-HA A 4.72 ambi=1 { CA:54.2 } ::sumAvg: 3.19 atom: 171 32T-H N 8.455 ambi=1 { N:115.755 } atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } :: atom: 171 32T-H N 8.455 ambi=1 { N:115.755 } atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } ::sumAvg: 4.01 atom: 26 14N-H N 8.374 ambi=1 { N:117.789 } atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } ::sumAvg: 4.865 atom: 21 13G-H N 8.426 ambi=1 { N:110.872 } atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } ::sumAvg: 3.95 atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } :: atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } ::sumAvg: 4.985 atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } atom: 26 14N-H N 8.374 ambi=1 { N:117.789 } :: atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } atom: 26 14N-H N 8.374 ambi=1 { N:117.789 } ::sumAvg: 3.61 atom: 26 14N-H N 8.374 ambi=1 { N:117.789 } atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } ::sumAvg: 4.965 atom: 26 14N-H N 8.374 ambi=1 { N:117.789 } atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } :: atom: 26 14N-H N 8.374 ambi=1 { N:117.789 } atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } ::sumAvg: 3.95 atom: 26 14N-H N 8.374 ambi=1 { N:117.789 } atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } ::sumAvg: 4.385 atom: 26 14N-H N 8.374 ambi=1 { N:117.789 } atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } ::sumAvg: 3.955 atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } :: atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } ::sumAvg: 4.78 atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } :: atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } ::sumAvg: 4.78 atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } :: atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } :: atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } :: atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } ::sumAvg: 4.605 atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } :: atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } ::sumAvg: 4.875 atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } :: atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } :: atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } :: atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } ::sumAvg: 4.495 atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } ::sumAvg: 4.35 atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } ::sumAvg: 4.745 atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } atom: 171 32T-H N 8.455 ambi=1 { N:115.755 } ::sumAvg: 4.875 atom: 171 32T-H N 8.455 ambi=1 { N:115.755 } atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } ::sumAvg: 4.875 atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } ::sumAvg: 3.35 atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 4.95 atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } :: atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } ::sumAvg: 4.26 atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } :: atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } ::sumAvg: 4.63 atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } ::sumAvg: 4.61 atom: 171 32T-H N 8.455 ambi=1 { N:115.755 } atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } ::sumAvg: 2.835 atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } ::sumAvg: 4.985 atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } :: atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } ::sumAvg: 4.13 atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } ::sumAvg: 4.975 atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } ::sumAvg: 4.975 atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 4.435 atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } :: atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } ::sumAvg: 4.735 atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } ::sumAvg: 4.81 atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } :: atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } ::sumAvg: 4.715 atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 3.025 atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } atom: 787 115R-HB2 B 1.467 ambi=2 { CB:33.73 } :: atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } ::sumAvg: 4.95 atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } ::sumAvg: 4.885 atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } ::sumAvg: 4.68 atom: 785 115R-H N 8.989 ambi=1 { N:122.92 } atom: 45 17I-HB B 1.736 ambi=1 { CB:36.397 } ::sumAvg: 4.995 atom: 76 20I-H N 8.744 ambi=1 { N:127.309 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } ::sumAvg: 4.12 atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } ::sumAvg: 4.845 atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } ::sumAvg: 4.81 atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } atom: 67 19E-HA A 4.47 ambi=1 { CA:56.11 } ::sumAvg: 4.915 atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } ::sumAvg: 4.745 atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } :: atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } ::sumAvg: 4.09 atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } atom: 57 18E-HA A 4.23 ambi=1 { CA:57.16 } ::sumAvg: 3.56 atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } ::sumAvg: 3.39 atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } ::sumAvg: 4.725 atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } ::sumAvg: 4.36 atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } ::sumAvg: 4.705 atom: 76 20I-H N 8.744 ambi=1 { N:127.309 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } ::sumAvg: 4.47 atom: 76 20I-H N 8.744 ambi=1 { N:127.309 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } ::sumAvg: 4.945 atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } atom: 76 20I-H N 8.744 ambi=1 { N:127.309 } ::sumAvg: 4.945 atom: 76 20I-H N 8.744 ambi=1 { N:127.309 } atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } ::sumAvg: 4.805 atom: 93 22V-H N 8.65 ambi=1 { N:130.172 } atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } ::sumAvg: 4.87 atom: 938 94W-HE1 E1 10.53 ambi=1 { NE1:131.6 } atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } ::sumAvg: 3.725 atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } atom: 93 22V-H N 8.65 ambi=1 { N:130.172 } ::sumAvg: 4.55 atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 4.135 atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } ::sumAvg: 4.57 atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } ::sumAvg: 4.92 atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } ::sumAvg: 4.92 atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } ::sumAvg: 4.34 atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } ::sumAvg: 4.34 atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } ::sumAvg: 4.495 atom: 103 23D-H N 7.482 ambi=1 { N:118.547 } atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } :: atom: 103 23D-H N 7.482 ambi=1 { N:118.547 } atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } ::sumAvg: 3.96 atom: 93 22V-H N 8.65 ambi=1 { N:130.172 } atom: 94 22V-HA A 3.998 ambi=1 { CA:64.445 } ::sumAvg: 2.88 atom: 93 22V-H N 8.65 ambi=1 { N:130.172 } atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } ::sumAvg: 4.155 atom: 93 22V-H N 8.65 ambi=1 { N:130.172 } atom: 110 24G-H N 7.22 ambi=1 { N:105.293 } ::sumAvg: 4.39 atom: 827 120K-H N 8.346 ambi=1 { N:124.095 } atom: 96 22V-QG G 1.057 ambi=2 { QCG:20.355 } ::sumAvg: 4.785 atom: 103 23D-H N 7.482 ambi=1 { N:118.547 } atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } :: atom: 103 23D-H N 7.482 ambi=1 { N:118.547 } atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } ::sumAvg: 4.545 atom: 110 24G-H N 7.22 ambi=1 { N:105.293 } atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } ::sumAvg: 4.03 atom: 110 24G-H N 7.22 ambi=1 { N:105.293 } atom: 2118 25K-HG2 G 1.33 ambi=2 { CG:25.37 } :: atom: 110 24G-H N 7.22 ambi=1 { N:105.293 } atom: 2119 25K-HG3 G 1.194 ambi=2 { CG:25.37 } ::sumAvg: 4.48 atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } :: atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } ::sumAvg: 4.37 atom: 115 25K-H N 8.757 ambi=1 { N:111.753 } atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } ::sumAvg: 3.49 atom: 115 25K-H N 8.757 ambi=1 { N:111.753 } atom: 2122 25K-QE E 3.019 ambi=2 { CE:41.92 } ::sumAvg: 4.985 atom: 115 25K-H N 8.757 ambi=1 { N:111.753 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } ::sumAvg: 4.955 atom: 115 25K-H N 8.757 ambi=1 { N:111.753 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 4.205 atom: 115 25K-H N 8.757 ambi=1 { N:111.753 } atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } ::sumAvg: 4.875 atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } ::sumAvg: 4.57 atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } ::sumAvg: 4.975 atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } ::sumAvg: 4.42 atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } ::sumAvg: 4.445 atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 4.955 atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 4.46 atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } ::sumAvg: 4.67 atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } ::sumAvg: 4.265 atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } ::sumAvg: 4.655 atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } ::sumAvg: 4.54 atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } :: atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } ::sumAvg: 4.5 atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 3.86 atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } ::sumAvg: 4.805 atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } ::sumAvg: 4.575 atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 4.795 atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } atom: 134 27I-HD1 D1 0.887 ambi=1 { CD1:14.86 } ::sumAvg: 4.245 atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } ::sumAvg: 4.805 atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.355 atom: 431 70T-H N 8.66 ambi=1 { N:125.533 } atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } ::sumAvg: 4.795 atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } ::sumAvg: 4.99 atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } ::sumAvg: 4.535 atom: 431 70T-H N 8.66 ambi=1 { N:125.533 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } ::sumAvg: 4.945 atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.81 atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } ::sumAvg: 4.785 atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } :: atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } ::sumAvg: 4.56 atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } ::sumAvg: 4.68 atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 4.84 atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } ::sumAvg: 4.695 atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } :: atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } ::sumAvg: 4.7 atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } ::sumAvg: 4.985 atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } ::sumAvg: 4.51 atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } ::sumAvg: 4.51 atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } atom: 402 66G-H N 7.505 ambi=1 { N:112.913 } ::sumAvg: 4.805 atom: 402 66G-H N 7.505 ambi=1 { N:112.913 } atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } ::sumAvg: 4.805 atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } ::sumAvg: 4.675 atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } :: atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } ::sumAvg: 4.27 atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } :: atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } ::sumAvg: 4.72 atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } :: atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } ::sumAvg: 3.83 atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 3.83 atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } :: atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } :: atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } :: atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } ::sumAvg: 3.48 atom: 193 35Q-H N 8.634 ambi=1 { N:120.013 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 193 35Q-H N 8.634 ambi=1 { N:120.013 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 4.265 atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } ::sumAvg: 3.045 atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } :: atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 3.145 atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } :: atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } ::sumAvg: 4.675 atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 4.675 atom: 396 65A-H N 8.628 ambi=1 { N:123.214 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 396 65A-H N 8.628 ambi=1 { N:123.214 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 4.175 atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } atom: 402 66G-H N 7.505 ambi=1 { N:112.913 } :: atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } atom: 402 66G-H N 7.505 ambi=1 { N:112.913 } ::sumAvg: 3.57 atom: 402 66G-H N 7.505 ambi=1 { N:112.913 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 402 66G-H N 7.505 ambi=1 { N:112.913 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 3.57 atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } atom: 407 67Q-H N 8.136 ambi=1 { N:118.759 } ::sumAvg: 3.87 atom: 407 67Q-H N 8.136 ambi=1 { N:118.759 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } ::sumAvg: 3.87 atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } :: atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } :: atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } :: atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } ::sumAvg: 4.325 atom: 171 32T-H N 8.455 ambi=1 { N:115.755 } atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } :: atom: 171 32T-H N 8.455 ambi=1 { N:115.755 } atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } ::sumAvg: 4.515 atom: 171 32T-H N 8.455 ambi=1 { N:115.755 } atom: 402 66G-H N 7.505 ambi=1 { N:112.913 } ::sumAvg: 4.91 atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } atom: 1172 32T-HB B 4.591 ambi=1 { CB:68.11 } ::sumAvg: 4.32 atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } ::sumAvg: 4.14 atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } ::sumAvg: 4.08 atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } ::sumAvg: 4.97 atom: 193 35Q-H N 8.634 ambi=1 { N:120.013 } atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } ::sumAvg: 4.255 atom: 199 35Q-HE21 E2 7.518 ambi=2 { NE2:112.3 } atom: 194 35Q-HA A 4.664 ambi=1 { CA:53.74 } :: atom: 200 35Q-HE22 E2 6.838 ambi=2 { NE2:112.3 } atom: 194 35Q-HA A 4.664 ambi=1 { CA:53.74 } ::sumAvg: 4.755 atom: 396 65A-H N 8.628 ambi=1 { N:123.214 } atom: 194 35Q-HA A 4.664 ambi=1 { CA:53.74 } ::sumAvg: 4.805 atom: 199 35Q-HE21 E2 7.518 ambi=2 { NE2:112.3 } atom: 195 35Q-HB2 B 1.88 ambi=2 { CB:31.696 } :: atom: 200 35Q-HE22 E2 6.838 ambi=2 { NE2:112.3 } atom: 195 35Q-HB2 B 1.88 ambi=2 { CB:31.696 } :: atom: 199 35Q-HE21 E2 7.518 ambi=2 { NE2:112.3 } atom: 196 35Q-HB3 B 1.963 ambi=2 { CB:31.696 } :: atom: 200 35Q-HE22 E2 6.838 ambi=2 { NE2:112.3 } atom: 196 35Q-HB3 B 1.963 ambi=2 { CB:31.696 } ::sumAvg: 3.42 atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } atom: 197 35Q-HG2 G 2.325 ambi=2 { CG:33.807 } :: atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } atom: 198 35Q-HG3 G 2.253 ambi=2 { CG:33.807 } ::sumAvg: 4.9 atom: 199 35Q-HE21 E2 7.518 ambi=2 { NE2:112.3 } atom: 206 36D-H N 8.859 ambi=1 { N:124.552 } :: atom: 200 35Q-HE22 E2 6.838 ambi=2 { NE2:112.3 } atom: 206 36D-H N 8.859 ambi=1 { N:124.552 } ::sumAvg: 4.385 atom: 206 36D-H N 8.859 ambi=1 { N:124.552 } atom: 199 35Q-HE21 E2 7.518 ambi=2 { NE2:112.3 } :: atom: 206 36D-H N 8.859 ambi=1 { N:124.552 } atom: 200 35Q-HE22 E2 6.838 ambi=2 { NE2:112.3 } ::sumAvg: 4.385 atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } ::sumAvg: 4.69 atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } atom: 208 36D-HB2 B 2.08 ambi=2 { CB:40.12 } :: atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } atom: 209 36D-HB3 B 2.49 ambi=2 { CB:40.12 } ::sumAvg: 4.92 atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } atom: 9199 37Q-HE21 E2 7.583 ambi=2 { NE2:118.1 } ::sumAvg: 4.565 atom: 9199 37Q-HE21 E2 7.583 ambi=2 { NE2:118.1 } atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } ::sumAvg: 4.565 atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } :: atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } ::sumAvg: 4.475 atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } ::sumAvg: 4.98 atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 4.56 atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } ::sumAvg: 4.975 atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } ::sumAvg: 4.99 atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } :: atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } ::sumAvg: 4.665 atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } atom: 2508 38P-HB2 B 2.393 ambi=2 { CB:31.75 } :: atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } atom: 2509 38P-HB3 B 2.047 ambi=2 { CB:31.75 } ::sumAvg: 4.65 atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } atom: 2510 38P-HG2 G 1.898 ambi=2 { CG:27.9 } :: atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } atom: 2511 38P-HG3 G 2.173 ambi=2 { CG:27.9 } ::sumAvg: 4.59 atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } :: atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } ::sumAvg: 4.345 atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } ::sumAvg: 4.705 atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } ::sumAvg: 3.665 atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } :: atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } ::sumAvg: 4.12 atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } ::sumAvg: 4.795 atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } :: atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } ::sumAvg: 4.855 atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } ::sumAvg: 4.175 atom: 237 42W-H N 8.667 ambi=1 { N:122.097 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 237 42W-H N 8.667 ambi=1 { N:122.097 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } ::sumAvg: 4.385 atom: 345 58T-H N 8.722 ambi=1 { N:116.096 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 345 58T-H N 8.722 ambi=1 { N:116.096 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } ::sumAvg: 4.37 atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } ::sumAvg: 4.235 atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } ::sumAvg: 4.235 atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } atom: 928 42W-HD1 D1 7.075 ambi=1 { CD1:124.8 } ::sumAvg: 3.375 atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } ::sumAvg: 4.78 atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } :: atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } ::sumAvg: 4.88 atom: 237 42W-H N 8.667 ambi=1 { N:122.097 } atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } :: atom: 237 42W-H N 8.667 ambi=1 { N:122.097 } atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } ::sumAvg: 4.615 atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } ::sumAvg: 4.96 atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } atom: 2711 106N-HD21 D2 7.449 ambi=2 { ND2:112.3 } :: atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } atom: 2712 106N-HD22 D2 7.383 ambi=2 { ND2:112.3 } ::sumAvg: 4.9 atom: 2711 106N-HD21 D2 7.449 ambi=2 { ND2:112.3 } atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } :: atom: 2712 106N-HD22 D2 7.383 ambi=2 { ND2:112.3 } atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } ::sumAvg: 4.9 atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } ::sumAvg: 4.95 atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } :: atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } ::sumAvg: 4.945 atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } :: atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } ::sumAvg: 3.9 atom: 690 105K-H N 9.674 ambi=1 { N:126.536 } atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } :: atom: 690 105K-H N 9.674 ambi=1 { N:126.536 } atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } ::sumAvg: 4.48 atom: 331 56K-H N 7.551 ambi=1 { N:127.706 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } ::sumAvg: 4.68 atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } :: atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } ::sumAvg: 4.77 atom: 331 56K-H N 7.551 ambi=1 { N:127.706 } atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } :: atom: 331 56K-H N 7.551 ambi=1 { N:127.706 } atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } ::sumAvg: 4.515 atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } ::sumAvg: 4.815 atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } ::sumAvg: 4.815 atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } ::sumAvg: 4.825 atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } ::sumAvg: 4.96 atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } ::sumAvg: 4.915 atom: 711 107S-H N 6.988 ambi=1 { N:112.4 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } ::sumAvg: 4.695 atom: 249 44M-H N 9.658 ambi=1 { N:126.477 } atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } ::sumAvg: 4.225 atom: 249 44M-H N 9.658 ambi=1 { N:126.477 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } ::sumAvg: 4.68 atom: 249 44M-H N 9.658 ambi=1 { N:126.477 } atom: 331 56K-H N 7.551 ambi=1 { N:127.706 } ::sumAvg: 4.8 atom: 331 56K-H N 7.551 ambi=1 { N:127.706 } atom: 249 44M-H N 9.658 ambi=1 { N:126.477 } ::sumAvg: 4.8 atom: 249 44M-H N 9.658 ambi=1 { N:126.477 } atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } ::sumAvg: 4.29 atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } ::sumAvg: 4.495 atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } :: atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } ::sumAvg: 4.195 atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } :: atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } ::sumAvg: 3.74 atom: 256 45I-H N 9.658 ambi=1 { N:127.329 } atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } ::sumAvg: 4.615 atom: 256 45I-H N 9.658 ambi=1 { N:127.329 } atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } ::sumAvg: 4.87 atom: 256 45I-H N 9.658 ambi=1 { N:127.329 } atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } ::sumAvg: 3.035 atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } ::sumAvg: 4.705 atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } atom: 258 45I-HB B 1.732 ambi=1 { CB:40.804 } ::sumAvg: 3.685 atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } atom: 1013 45I-HG12 G1 1.415 ambi=2 { CG1:27.956 } :: atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } atom: 1014 45I-HG13 G1 1.086 ambi=2 { CG1:27.956 } ::sumAvg: 4.56 atom: 307 53V-H N 8.448 ambi=1 { N:121.387 } atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } ::sumAvg: 3.655 atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.71 atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } ::sumAvg: 4.95 atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } atom: 317 54S-H N 8.761 ambi=1 { N:118.025 } ::sumAvg: 4.86 atom: 317 54S-H N 8.761 ambi=1 { N:118.025 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } ::sumAvg: 4.86 atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } :: atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } ::sumAvg: 4.995 atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } ::sumAvg: 4.825 atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } :: atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } ::sumAvg: 4.515 atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } ::sumAvg: 4.755 atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } :: atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } ::sumAvg: 4.76 atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } ::sumAvg: 4.04 atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } ::sumAvg: 4.81 atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } atom: 578 91Q-HE21 E2 6.78 ambi=2 { NE2:113 } :: atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } atom: 579 91Q-HE22 E2 7.408 ambi=2 { NE2:113 } ::sumAvg: 4.755 atom: 578 91Q-HE21 E2 6.78 ambi=2 { NE2:113 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } :: atom: 579 91Q-HE22 E2 7.408 ambi=2 { NE2:113 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } ::sumAvg: 4.755 atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } :: atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } ::sumAvg: 4.785 atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } :: atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } ::sumAvg: 4.34 atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } :: atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } ::sumAvg: 4.71 atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 2.33 atom: 578 91Q-HE21 E2 6.78 ambi=2 { NE2:113 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } :: atom: 579 91Q-HE22 E2 7.408 ambi=2 { NE2:113 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.21 atom: 938 94W-HE1 E1 10.53 ambi=1 { NE1:131.6 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.98 atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } atom: 4277 47K-QE E 2.89 ambi=2 { CE:41.62 } ::sumAvg: 4.905 atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } ::sumAvg: 4.285 atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } ::sumAvg: 3.845 atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } :: atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } ::sumAvg: 4.35 atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } ::sumAvg: 4.555 atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } ::sumAvg: 4.59 atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } ::sumAvg: 3.13 atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } :: atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } ::sumAvg: 4.715 atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } ::sumAvg: 4.345 atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } ::sumAvg: 4.85 atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } ::sumAvg: 3.59 atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } atom: 278 48I-HB B 1.588 ambi=1 { CB:40.316 } ::sumAvg: 4.425 atom: 639 100V-H N 8.215 ambi=1 { N:123.901 } atom: 1020 48I-HG12 G1 1.344 ambi=2 { CG1:27.8 } :: atom: 639 100V-H N 8.215 ambi=1 { N:123.901 } atom: 1021 48I-HG13 G1 0.993 ambi=2 { CG1:27.8 } ::sumAvg: 4.72 atom: 287 50D-H N 8.935 ambi=1 { N:126.343 } atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } ::sumAvg: 4.305 atom: 294 51T-H N 8.253 ambi=1 { N:115.167 } atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } ::sumAvg: 3.925 atom: 307 53V-H N 8.448 ambi=1 { N:121.387 } atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } ::sumAvg: 4.66 atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } ::sumAvg: 4.03 atom: 611 96T-H N 8.028 ambi=1 { N:112.538 } atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } ::sumAvg: 4.455 atom: 639 100V-H N 8.215 ambi=1 { N:123.901 } atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } ::sumAvg: 4.985 atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } atom: 294 51T-H N 8.253 ambi=1 { N:115.167 } ::sumAvg: 4.125 atom: 294 51T-H N 8.253 ambi=1 { N:115.167 } atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } ::sumAvg: 4.125 atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } ::sumAvg: 4.085 atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } atom: 640 100V-HA A 4.495 ambi=1 { CA:60.92 } ::sumAvg: 4.95 atom: 300 52S-H N 8.71 ambi=1 { N:121.442 } atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } ::sumAvg: 4.59 atom: 300 52S-H N 8.71 ambi=1 { N:121.442 } atom: 309 53V-HB B 1.989 ambi=1 { CB:35.105 } ::sumAvg: 4.815 atom: 2901 90N-HD21 D2 7.033 ambi=2 { ND2:113 } atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } :: atom: 2902 90N-HD22 D2 7.676 ambi=2 { ND2:113 } atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } :: atom: 2901 90N-HD21 D2 7.033 ambi=2 { ND2:113 } atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } :: atom: 2902 90N-HD22 D2 7.676 ambi=2 { ND2:113 } atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } ::sumAvg: 4.885 atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } ::sumAvg: 4.73 atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } ::sumAvg: 4.895 atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } ::sumAvg: 4.215 atom: 2901 90N-HD21 D2 7.033 ambi=2 { ND2:113 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } :: atom: 2902 90N-HD22 D2 7.676 ambi=2 { ND2:113 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } ::sumAvg: 4.43 atom: 331 56K-H N 7.551 ambi=1 { N:127.706 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } ::sumAvg: 4.53 atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } ::sumAvg: 4.665 atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } atom: 7333 56K-QE E 2.9 ambi=2 { CE:41.2 } ::sumAvg: 4.945 atom: 345 58T-H N 8.722 ambi=1 { N:116.096 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 345 58T-H N 8.722 ambi=1 { N:116.096 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } ::sumAvg: 3.345 atom: 351 59S-H N 8.402 ambi=1 { N:114.556 } atom: 360 60R-HB2 B 2.029 ambi=2 { CB:29.846 } :: atom: 351 59S-H N 8.402 ambi=1 { N:114.556 } atom: 361 60R-HB3 B 1.75 ambi=2 { CB:29.846 } ::sumAvg: 4.96 atom: 358 60R-H N 8.176 ambi=1 { N:118.244 } atom: 366 61Y-HA A 3.897 ambi=1 { CA:61.93 } ::sumAvg: 4.97 atom: 358 60R-H N 8.176 ambi=1 { N:118.244 } atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } ::sumAvg: 3.5 atom: 358 60R-H N 8.176 ambi=1 { N:118.244 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } ::sumAvg: 4.575 atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } ::sumAvg: 4.365 atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } :: atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } ::sumAvg: 4.985 atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } ::sumAvg: 4.13 atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } ::sumAvg: 3.6 atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } ::sumAvg: 4.295 atom: 1002 67Q-HE21 E2 6.875 ambi=2 { NE2:114.1 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } :: atom: 1003 67Q-HE22 E2 7.463 ambi=2 { NE2:114.1 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 4.345 atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } atom: 7394 64K-QE E 2.93 ambi=2 { CE:41.72 } ::sumAvg: 4.745 atom: 407 67Q-H N 8.136 ambi=1 { N:118.759 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } ::sumAvg: 4.945 atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } ::sumAvg: 3.445 atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } atom: 1002 67Q-HE21 E2 6.875 ambi=2 { NE2:114.1 } :: atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } atom: 1003 67Q-HE22 E2 7.463 ambi=2 { NE2:114.1 } ::sumAvg: 4.615 atom: 1002 67Q-HE21 E2 6.875 ambi=2 { NE2:114.1 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } :: atom: 1003 67Q-HE22 E2 7.463 ambi=2 { NE2:114.1 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } ::sumAvg: 4.615 atom: 1002 67Q-HE21 E2 6.875 ambi=2 { NE2:114.1 } atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } :: atom: 1003 67Q-HE22 E2 7.463 ambi=2 { NE2:114.1 } atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } :: atom: 1002 67Q-HE21 E2 6.875 ambi=2 { NE2:114.1 } atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } :: atom: 1003 67Q-HE22 E2 7.463 ambi=2 { NE2:114.1 } atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } ::sumAvg: 3.93 atom: 1002 67Q-HE21 E2 6.875 ambi=2 { NE2:114.1 } atom: 7392 64K-QD D 1.591 ambi=2 { CD:28.6 } :: atom: 1003 67Q-HE22 E2 7.463 ambi=2 { NE2:114.1 } atom: 7392 64K-QD D 1.591 ambi=2 { CD:28.6 } ::sumAvg: 4.46 atom: 407 67Q-H N 8.136 ambi=1 { N:118.759 } atom: 396 65A-H N 8.628 ambi=1 { N:123.214 } ::sumAvg: 4.745 atom: 402 66G-H N 7.505 ambi=1 { N:112.913 } atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } :: atom: 402 66G-H N 7.505 ambi=1 { N:112.913 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } ::sumAvg: 4.93 atom: 407 67Q-H N 8.136 ambi=1 { N:118.759 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } ::sumAvg: 3.9 atom: 1002 67Q-HE21 E2 6.875 ambi=2 { NE2:114.1 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } :: atom: 1003 67Q-HE22 E2 7.463 ambi=2 { NE2:114.1 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } ::sumAvg: 2.51 atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } ::sumAvg: 2.825 atom: 1002 67Q-HE21 E2 6.875 ambi=2 { NE2:114.1 } atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } :: atom: 1003 67Q-HE22 E2 7.463 ambi=2 { NE2:114.1 } atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } ::sumAvg: 3.545 atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } atom: 1002 67Q-HE21 E2 6.875 ambi=2 { NE2:114.1 } :: atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } atom: 1003 67Q-HE22 E2 7.463 ambi=2 { NE2:114.1 } ::sumAvg: 3.545 atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.835 atom: 422 69V-H N 8.78 ambi=1 { N:120.958 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } ::sumAvg: 4.99 atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.96 atom: 431 70T-H N 8.66 ambi=1 { N:125.533 } atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } ::sumAvg: 4.43 atom: 431 70T-H N 8.66 ambi=1 { N:125.533 } atom: 909 72W-HE1 E1 11.5 ambi=1 { NE1:132.2 } ::sumAvg: 4.705 atom: 909 72W-HE1 E1 11.5 ambi=1 { NE1:132.2 } atom: 431 70T-H N 8.66 ambi=1 { N:125.533 } ::sumAvg: 4.705 atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 3.81 atom: 909 72W-HE1 E1 11.5 ambi=1 { NE1:132.2 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 2.94 atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.705 atom: 538 86L-H N 9.271 ambi=1 { N:124.265 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.915 atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } ::sumAvg: 4.905 atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } atom: 909 72W-HE1 E1 11.5 ambi=1 { NE1:132.2 } ::sumAvg: 4.955 atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } ::sumAvg: 4.825 atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } :: atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } ::sumAvg: 4.335 atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } atom: 545 87I-H N 8.691 ambi=1 { N:119.475 } ::sumAvg: 4.64 atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.685 atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } ::sumAvg: 4.67 atom: 909 72W-HE1 E1 11.5 ambi=1 { NE1:132.2 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 909 72W-HE1 E1 11.5 ambi=1 { NE1:132.2 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 4.835 atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 4.525 atom: 545 87I-H N 8.691 ambi=1 { N:119.475 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 545 87I-H N 8.691 ambi=1 { N:119.475 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 4.93 atom: 909 72W-HE1 E1 11.5 ambi=1 { NE1:132.2 } atom: 913 72W-HH2 H2 6.88 ambi=1 { CH2:124.1 } ::sumAvg: 4.96 atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } ::sumAvg: 4.985 atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } ::sumAvg: 4.645 atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 4.97 atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 4.565 atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.725 atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } ::sumAvg: 4.88 atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } ::sumAvg: 4.81 atom: 456 74A-H N 9.002 ambi=1 { N:123.213 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 3.97 atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } ::sumAvg: 4.895 atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } ::sumAvg: 4.935 atom: 904 75N-HD21 D2 7.24 ambi=2 { ND2:112.6 } atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } :: atom: 905 75N-HD22 D2 7.826 ambi=2 { ND2:112.6 } atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } ::sumAvg: 3.645 atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } atom: 904 75N-HD21 D2 7.24 ambi=2 { ND2:112.6 } ::sumAvg: 3.58 atom: 904 75N-HD21 D2 7.24 ambi=2 { ND2:112.6 } atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } ::sumAvg: 3.58 atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } ::sumAvg: 4.98 atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 4.73 atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } :: atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } ::sumAvg: 4.515 atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } :: atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } ::sumAvg: 4.815 atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } :: atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } ::sumAvg: 4.025 atom: 904 75N-HD21 D2 7.24 ambi=2 { ND2:112.6 } atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } :: atom: 905 75N-HD22 D2 7.826 ambi=2 { ND2:112.6 } atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } ::sumAvg: 4.11 atom: 904 75N-HD21 D2 7.24 ambi=2 { ND2:112.6 } atom: 901 92N-HD21 D2 6.675 ambi=2 { ND2:110 } :: atom: 905 75N-HD22 D2 7.826 ambi=2 { ND2:112.6 } atom: 901 92N-HD21 D2 6.675 ambi=2 { ND2:110 } :: atom: 905 75N-HD22 D2 7.826 ambi=2 { ND2:112.6 } atom: 902 92N-HD22 D2 7.399 ambi=2 { ND2:110 } ::sumAvg: 3.675 atom: 901 92N-HD21 D2 6.675 ambi=2 { ND2:110 } atom: 904 75N-HD21 D2 7.24 ambi=2 { ND2:112.6 } :: atom: 901 92N-HD21 D2 6.675 ambi=2 { ND2:110 } atom: 905 75N-HD22 D2 7.826 ambi=2 { ND2:112.6 } :: atom: 902 92N-HD22 D2 7.399 ambi=2 { ND2:110 } atom: 905 75N-HD22 D2 7.826 ambi=2 { ND2:112.6 } ::sumAvg: 3.675 atom: 904 75N-HD21 D2 7.24 ambi=2 { ND2:112.6 } atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } :: atom: 904 75N-HD21 D2 7.24 ambi=2 { ND2:112.6 } atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } :: atom: 905 75N-HD22 D2 7.826 ambi=2 { ND2:112.6 } atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } :: atom: 905 75N-HD22 D2 7.826 ambi=2 { ND2:112.6 } atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } ::sumAvg: 4.935 atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 4.48 atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } :: atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } atom: 1035 87I-HG13 G1 1.508 ambi=2 { CG1:28.02 } ::sumAvg: 4.975 atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 4.27 atom: 495 80A-H N 8.593 ambi=1 { N:126.311 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 495 80A-H N 8.593 ambi=1 { N:126.311 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 4.685 atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 4.84 atom: 489 79T-H N 8.148 ambi=1 { N:121.617 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 4.985 atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } atom: 490 79T-HA A 4.145 ambi=1 { CA:61.395 } ::sumAvg: 4.555 atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } atom: 491 79T-HB B 3.972 ambi=1 { CB:69.62 } ::sumAvg: 4.44 atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } ::sumAvg: 3.8 atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } ::sumAvg: 4.83 atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } atom: 545 87I-H N 8.691 ambi=1 { N:119.475 } ::sumAvg: 4.95 atom: 545 87I-H N 8.691 ambi=1 { N:119.475 } atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } ::sumAvg: 4.95 atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } ::sumAvg: 4.435 atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } atom: 508 82P-HB2 B 2.483 ambi=2 { CB:30.48 } :: atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } atom: 509 82P-HB3 B 2.099 ambi=2 { CB:30.48 } ::sumAvg: 3.96 atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } atom: 510 82P-HG2 G 2.223 ambi=2 { CG:27.808 } :: atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } atom: 511 82P-HG3 G 2.081 ambi=2 { CG:27.808 } ::sumAvg: 4.105 atom: 525 84T-H N 8.007 ambi=1 { N:114.629 } atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } :: atom: 525 84T-H N 8.007 ambi=1 { N:114.629 } atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } ::sumAvg: 4.245 atom: 545 87I-H N 8.691 ambi=1 { N:119.475 } atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } :: atom: 545 87I-H N 8.691 ambi=1 { N:119.475 } atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } ::sumAvg: 4.61 atom: 525 84T-H N 8.007 ambi=1 { N:114.629 } atom: 527 84T-HB B 4.406 ambi=1 { CB:69.37 } ::sumAvg: 3.235 atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } atom: 527 84T-HB B 4.406 ambi=1 { CB:69.37 } ::sumAvg: 3.445 atom: 538 86L-H N 9.271 ambi=1 { N:124.265 } atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } ::sumAvg: 4.435 atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 4.455 atom: 538 86L-H N 9.271 ambi=1 { N:124.265 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 3.845 atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } ::sumAvg: 3.535 atom: 572 91Q-H N 7.546 ambi=1 { N:117.746 } atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } ::sumAvg: 4.935 atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.365 atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } ::sumAvg: 4.95 atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } ::sumAvg: 3.78 atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } atom: 566 90N-HA A 4.434 ambi=1 { CA:54.01 } ::sumAvg: 4.95 atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } :: atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } ::sumAvg: 2.235 atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } atom: 2901 90N-HD21 D2 7.033 ambi=2 { ND2:113 } :: atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } atom: 2902 90N-HD22 D2 7.676 ambi=2 { ND2:113 } ::sumAvg: 4.48 atom: 2901 90N-HD21 D2 7.033 ambi=2 { ND2:113 } atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } :: atom: 2902 90N-HD22 D2 7.676 ambi=2 { ND2:113 } atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } ::sumAvg: 4.48 atom: 572 91Q-H N 7.546 ambi=1 { N:117.746 } atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } ::sumAvg: 4.37 atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } atom: 2563 89K-QD D 1.818 ambi=2 { CD:29.12 } ::sumAvg: 4.18 atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } atom: 2565 89K-QE E 3.089 ambi=2 { CE:41.9 } ::sumAvg: 4.75 atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } atom: 566 90N-HA A 4.434 ambi=1 { CA:54.01 } ::sumAvg: 4.995 atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } :: atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } ::sumAvg: 4.71 atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } atom: 572 91Q-H N 7.546 ambi=1 { N:117.746 } ::sumAvg: 4.575 atom: 572 91Q-H N 7.546 ambi=1 { N:117.746 } atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } ::sumAvg: 4.575 atom: 2901 90N-HD21 D2 7.033 ambi=2 { ND2:113 } atom: 560 89K-HB2 B 1.913 ambi=2 { CB:32.36 } :: atom: 2902 90N-HD22 D2 7.676 ambi=2 { ND2:113 } atom: 560 89K-HB2 B 1.913 ambi=2 { CB:32.36 } :: atom: 2901 90N-HD21 D2 7.033 ambi=2 { ND2:113 } atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } :: atom: 2902 90N-HD22 D2 7.676 ambi=2 { ND2:113 } atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } ::sumAvg: 4.845 atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } atom: 2901 90N-HD21 D2 7.033 ambi=2 { ND2:113 } :: atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } atom: 2902 90N-HD22 D2 7.676 ambi=2 { ND2:113 } ::sumAvg: 4.115 atom: 2901 90N-HD21 D2 7.033 ambi=2 { ND2:113 } atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } :: atom: 2902 90N-HD22 D2 7.676 ambi=2 { ND2:113 } atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } ::sumAvg: 4.115 atom: 572 91Q-H N 7.546 ambi=1 { N:117.746 } atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } ::sumAvg: 4.855 atom: 901 92N-HD21 D2 6.675 ambi=2 { ND2:110 } atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } :: atom: 902 92N-HD22 D2 7.399 ambi=2 { ND2:110 } atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } ::sumAvg: 4.59 atom: 592 93S-H N 9.337 ambi=1 { N:117.01 } atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } :: atom: 592 93S-H N 9.337 ambi=1 { N:117.01 } atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } ::sumAvg: 4.9 atom: 578 91Q-HE21 E2 6.78 ambi=2 { NE2:113 } atom: 585 92N-H N 8.451 ambi=1 { N:123.697 } :: atom: 579 91Q-HE22 E2 7.408 ambi=2 { NE2:113 } atom: 585 92N-H N 8.451 ambi=1 { N:123.697 } ::sumAvg: 3.73 atom: 578 91Q-HE21 E2 6.78 ambi=2 { NE2:113 } atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } :: atom: 578 91Q-HE21 E2 6.78 ambi=2 { NE2:113 } atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } :: atom: 579 91Q-HE22 E2 7.408 ambi=2 { NE2:113 } atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } :: atom: 579 91Q-HE22 E2 7.408 ambi=2 { NE2:113 } atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } ::sumAvg: 4.325 atom: 592 93S-H N 9.337 ambi=1 { N:117.01 } atom: 585 92N-H N 8.451 ambi=1 { N:123.697 } ::sumAvg: 3.665 atom: 901 92N-HD21 D2 6.675 ambi=2 { ND2:110 } atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } :: atom: 902 92N-HD22 D2 7.399 ambi=2 { ND2:110 } atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } ::sumAvg: 3.17 atom: 901 92N-HD21 D2 6.675 ambi=2 { ND2:110 } atom: 592 93S-H N 9.337 ambi=1 { N:117.01 } :: atom: 902 92N-HD22 D2 7.399 ambi=2 { ND2:110 } atom: 592 93S-H N 9.337 ambi=1 { N:117.01 } ::sumAvg: 4.355 atom: 592 93S-H N 9.337 ambi=1 { N:117.01 } atom: 901 92N-HD21 D2 6.675 ambi=2 { ND2:110 } :: atom: 592 93S-H N 9.337 ambi=1 { N:117.01 } atom: 902 92N-HD22 D2 7.399 ambi=2 { ND2:110 } ::sumAvg: 4.355 atom: 592 93S-H N 9.337 ambi=1 { N:117.01 } atom: 946 94W-HE3 E3 7.066 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.97 atom: 611 96T-H N 8.028 ambi=1 { N:112.538 } atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } :: atom: 611 96T-H N 8.028 ambi=1 { N:112.538 } atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } ::sumAvg: 4.77 atom: 611 96T-H N 8.028 ambi=1 { N:112.538 } atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } ::sumAvg: 3.995 atom: 617 97G-H N 8.443 ambi=1 { N:111.464 } atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } ::sumAvg: 4.855 atom: 938 94W-HE1 E1 10.53 ambi=1 { NE1:131.6 } atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } ::sumAvg: 3.92 atom: 606 95G-H N 7.795 ambi=1 { N:109.481 } atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } ::sumAvg: 4.39 atom: 611 96T-H N 8.028 ambi=1 { N:112.538 } atom: 618 97G-HA2 A 3.482 ambi=2 { CA:45.945 } :: atom: 611 96T-H N 8.028 ambi=1 { N:112.538 } atom: 619 97G-HA3 A 3.862 ambi=2 { CA:45.945 } ::sumAvg: 4.635 atom: 622 98E-H N 8.01 ambi=1 { N:118.563 } atom: 613 96T-HB B 4.127 ambi=1 { CB:70.04 } ::sumAvg: 4.68 atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } :: atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } ::sumAvg: 4.9 atom: 803 117T-H N 8.801 ambi=1 { N:116.435 } atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } :: atom: 803 117T-H N 8.801 ambi=1 { N:116.435 } atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } ::sumAvg: 4.755 atom: 639 100V-H N 8.215 ambi=1 { N:123.901 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 639 100V-H N 8.215 ambi=1 { N:123.901 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } ::sumAvg: 4.49 atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } ::sumAvg: 4.845 atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } ::sumAvg: 4.96 atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } ::sumAvg: 4.81 atom: 778 114Q-HE21 E2 6.739 ambi=2 { NE2:112 } atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } :: atom: 779 114Q-HE22 E2 7.806 ambi=2 { NE2:112 } atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } ::sumAvg: 4.17 atom: 796 116S-H N 8.511 ambi=1 { N:119.807 } atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } :: atom: 796 116S-H N 8.511 ambi=1 { N:119.807 } atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } ::sumAvg: 4.525 atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } atom: 670 103I-HG12 G1 1.071 ambi=2 { CG1:28.072 } :: atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } atom: 671 103I-HG13 G1 1.414 ambi=2 { CG1:28.072 } ::sumAvg: 4.925 atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } ::sumAvg: 4.37 atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } ::sumAvg: 4.92 atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } atom: 787 115R-HB2 B 1.467 ambi=2 { CB:33.73 } :: atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } ::sumAvg: 4.38 atom: 796 116S-H N 8.511 ambi=1 { N:119.807 } atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } ::sumAvg: 4.835 atom: 679 104L-H N 9.017 ambi=1 { N:127.791 } atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } ::sumAvg: 4.09 atom: 679 104L-H N 9.017 ambi=1 { N:127.791 } atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } ::sumAvg: 3.815 atom: 778 114Q-HE21 E2 6.739 ambi=2 { NE2:112 } atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } :: atom: 779 114Q-HE22 E2 7.806 ambi=2 { NE2:112 } atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } ::sumAvg: 3.4 atom: 785 115R-H N 8.989 ambi=1 { N:122.92 } atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } ::sumAvg: 3.52 atom: 778 114Q-HE21 E2 6.739 ambi=2 { NE2:112 } atom: 1672 103I-HG2 G2 0.9126 ambi=1 { CG2:18.25 } :: atom: 779 114Q-HE22 E2 7.806 ambi=2 { NE2:112 } atom: 1672 103I-HG2 G2 0.9126 ambi=1 { CG2:18.25 } ::sumAvg: 4.175 atom: 679 104L-H N 9.017 ambi=1 { N:127.791 } atom: 772 114Q-H N 8.45 ambi=1 { N:115.851 } ::sumAvg: 4.855 atom: 756 112V-H N 9.093 ambi=1 { N:122.642 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 4.95 atom: 690 105K-H N 9.674 ambi=1 { N:126.536 } atom: 747 111E-HA A 4.194 ambi=1 { CA:57.16 } ::sumAvg: 4.97 atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } atom: 8694 105K-HD2 D 1.477 ambi=2 { CD:29.64 } :: atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } atom: 8695 105K-HD3 D 1.582 ambi=2 { CD:29.64 } ::sumAvg: 4.975 atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } ::sumAvg: 3.25 atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } atom: 746 111E-H N 8.799 ambi=1 { N:123.867 } ::sumAvg: 4.995 atom: 2711 106N-HD21 D2 7.449 ambi=2 { ND2:112.3 } atom: 711 107S-H N 6.988 ambi=1 { N:112.4 } ::sumAvg: 4.215 atom: 2711 106N-HD21 D2 7.449 ambi=2 { ND2:112.3 } atom: 758 112V-HB B 2.03 ambi=1 { CB:33.23 } :: atom: 2712 106N-HD22 D2 7.383 ambi=2 { ND2:112.3 } atom: 758 112V-HB B 2.03 ambi=1 { CB:33.23 } ::sumAvg: 4.93 atom: 2711 106N-HD21 D2 7.449 ambi=2 { ND2:112.3 } atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } :: atom: 2711 106N-HD21 D2 7.449 ambi=2 { ND2:112.3 } atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } :: atom: 2712 106N-HD22 D2 7.383 ambi=2 { ND2:112.3 } atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } :: atom: 2712 106N-HD22 D2 7.383 ambi=2 { ND2:112.3 } atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } ::sumAvg: 2.935 atom: 718 108Q-H N 7.414 ambi=1 { N:119 } atom: 724 108Q-HE21 E2 6.78 ambi=2 { NE2:112.6 } ::sumAvg: 4.72 atom: 718 108Q-H N 7.414 ambi=1 { N:119 } atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } ::sumAvg: 3.945 atom: 731 109G-H N 7.835 ambi=1 { N:107.333 } atom: 737 110E-HA A 4.209 ambi=1 { CA:54.32 } ::sumAvg: 4.87 atom: 756 112V-H N 9.093 ambi=1 { N:122.642 } atom: 758 112V-HB B 2.03 ambi=1 { CB:33.23 } ::sumAvg: 3.165 atom: 766 113A-H N 7.793 ambi=1 { N:121.07 } atom: 758 112V-HB B 2.03 ambi=1 { CB:33.23 } ::sumAvg: 3.105 atom: 778 114Q-HE21 E2 6.739 ambi=2 { NE2:112 } atom: 772 114Q-H N 8.45 ambi=1 { N:115.851 } :: atom: 779 114Q-HE22 E2 7.806 ambi=2 { NE2:112 } atom: 772 114Q-H N 8.45 ambi=1 { N:115.851 } ::sumAvg: 4.75 atom: 827 120K-H N 8.346 ambi=1 { N:124.095 } atom: 811 118V-HA A 4.227 ambi=1 { CA:61.32 } ::sumAvg: 4.69 atom: 820 119F-H N 8.58 ambi=1 { N:126.006 } atom: 864 119F-QE E 7.36 ambi=3 { CE1:131.8 } ::sumAvg: 4.995 atom: 843 121T-H N 8.294 ambi=1 { N:116.359 } atom: 821 119F-HA A 4.655 ambi=1 { CA:57.52 } ::sumAvg: 4.74 atom: 849 122T-H N 7.809 ambi=1 { N:121 } atom: 828 120K-HA A 4.432 ambi=1 { CA:55.74 } ::sumAvg: 4.835 atom: 849 122T-H N 7.809 ambi=1 { N:121 } atom: 829 120K-HB2 B 1.748 ambi=2 { CB:33.29 } :: atom: 849 122T-H N 7.809 ambi=1 { N:121 } atom: 830 120K-HB3 B 1.834 ambi=2 { CB:33.29 } ::sumAvg: 4.7 atom: 843 121T-H N 8.294 ambi=1 { N:116.359 } atom: 833 120K-QD D 1.664 ambi=2 { CD:29.19 } ::sumAvg: 4.605 atom: 843 121T-H N 8.294 ambi=1 { N:116.359 } atom: 835 120K-QE E 2.9745 ambi=2 { CE:42.102 } ::sumAvg: 4.705 atom: 843 121T-H N 8.294 ambi=1 { N:116.359 } atom: 850 122T-HA A 4.17 ambi=1 { CA:62.83 } ::sumAvg: 4.93 atom: 849 122T-H N 7.809 ambi=1 { N:121 } atom: 844 121T-HB B 4.293 ambi=1 { CB:69.64 } ::sumAvg: 3.41 atom: 849 122T-H N 7.809 ambi=1 { N:121 } atom: 9850 122T-HB B 4.27 ambi=1 { CB:70.3 } ::sumAvg: 3.405 # Missing interactons for c_aro.peaks atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } atom: 17 12T-HA A 4.45 ambi=1 { CA:61.81 } ::sumAvg: 4.96 atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } atom: 21 13G-H N 8.426 ambi=1 { N:110.872 } ::sumAvg: 3.95 atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } :: atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } ::sumAvg: 4.35 atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } :: atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } ::sumAvg: 3.33 atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } atom: 26 14N-H N 8.374 ambi=1 { N:117.789 } ::sumAvg: 4.385 atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } atom: 26 14N-H N 8.374 ambi=1 { N:117.789 } ::sumAvg: 3.955 atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } ::sumAvg: 3.35 atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } atom: 9934 15V-HB B 1.927 ambi=1 { CB:33.23 } ::sumAvg: 4.66 atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } :: atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } ::sumAvg: 4.84 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 251 44M-HB2 B 1.817 ambi=2 { CB:37.49 } :: atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 252 44M-HB3 B 2.226 ambi=2 { CB:37.49 } ::sumAvg: 3.88 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } ::sumAvg: 4.85 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } ::sumAvg: 4.135 atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } ::sumAvg: 4.57 atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } ::sumAvg: 4.495 atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } atom: 87 21D-HA A 3.949 ambi=1 { CA:54.97 } ::sumAvg: 4.465 atom: 996 26F-HZ Z 7.15 ambi=1 { CZ:130 } atom: 87 21D-HA A 3.949 ambi=1 { CA:54.97 } ::sumAvg: 4.6 atom: 996 26F-HZ Z 7.15 ambi=1 { CZ:130 } atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } :: atom: 996 26F-HZ Z 7.15 ambi=1 { CZ:130 } atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } ::sumAvg: 3.75 atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } :: atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } ::sumAvg: 4.36 atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } :: atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } ::sumAvg: 3.935 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 115 25K-H N 8.757 ambi=1 { N:111.753 } ::sumAvg: 4.205 atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } atom: 115 25K-H N 8.757 ambi=1 { N:111.753 } ::sumAvg: 4.875 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } ::sumAvg: 4.565 atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } ::sumAvg: 4.75 atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } ::sumAvg: 3.445 atom: 915 72W-HZ3 Z3 7.075 ambi=1 { CZ3:121.3 } atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } ::sumAvg: 3.66 atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } ::sumAvg: 3.925 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 2118 25K-HG2 G 1.33 ambi=2 { CG:25.37 } :: atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 2119 25K-HG3 G 1.194 ambi=2 { CG:25.37 } ::sumAvg: 4.64 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } ::sumAvg: 4.03 atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } ::sumAvg: 4.105 atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } ::sumAvg: 4.42 atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } ::sumAvg: 4.4 atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } ::sumAvg: 4.275 atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } ::sumAvg: 3.97 atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } ::sumAvg: 4.635 atom: 915 72W-HZ3 Z3 7.075 ambi=1 { CZ3:121.3 } atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } :: atom: 915 72W-HZ3 Z3 7.075 ambi=1 { CZ3:121.3 } atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } ::sumAvg: 4.625 atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } :: atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } ::sumAvg: 3.73 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 996 26F-HZ Z 7.15 ambi=1 { CZ:130 } ::sumAvg: 3.79 atom: 996 26F-HZ Z 7.15 ambi=1 { CZ:130 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 3.79 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } ::sumAvg: 4.99 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } ::sumAvg: 4.305 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } :: atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } ::sumAvg: 2.865 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } ::sumAvg: 4.77 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } ::sumAvg: 4.28 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } ::sumAvg: 4.46 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } ::sumAvg: 4.63 atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } ::sumAvg: 4.675 atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 4.675 atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 4.925 atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } ::sumAvg: 4.67 atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } ::sumAvg: 3.96 atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 3.79 atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } ::sumAvg: 4.575 atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } ::sumAvg: 4.99 atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } :: atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } ::sumAvg: 2.82 atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } :: atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } ::sumAvg: 4.595 atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 134 27I-HD1 D1 0.887 ambi=1 { CD1:14.86 } ::sumAvg: 4.05 atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 134 27I-HD1 D1 0.887 ambi=1 { CD1:14.86 } ::sumAvg: 4.525 atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } :: atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } ::sumAvg: 3.24 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } :: atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } ::sumAvg: 4.735 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } ::sumAvg: 3.81 atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } ::sumAvg: 4.72 atom: 928 42W-HD1 D1 7.075 ambi=1 { CD1:124.8 } atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } :: atom: 928 42W-HD1 D1 7.075 ambi=1 { CD1:124.8 } atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } ::sumAvg: 4.315 atom: 928 42W-HD1 D1 7.075 ambi=1 { CD1:124.8 } atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } ::sumAvg: 3.375 atom: 928 42W-HD1 D1 7.075 ambi=1 { CD1:124.8 } atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } :: atom: 928 42W-HD1 D1 7.075 ambi=1 { CD1:124.8 } atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } ::sumAvg: 4.475 atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } atom: 237 42W-H N 8.667 ambi=1 { N:122.097 } ::sumAvg: 4.835 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 237 42W-H N 8.667 ambi=1 { N:122.097 } ::sumAvg: 3.455 atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } ::sumAvg: 4.815 atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } atom: 681 104L-HB2 B 1.983 ambi=2 { CB:46.2 } :: atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } ::sumAvg: 3.845 atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 3.39 atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } ::sumAvg: 4.635 atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } ::sumAvg: 4.265 atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } ::sumAvg: 4.265 atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } ::sumAvg: 4.985 atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } ::sumAvg: 4.985 atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } ::sumAvg: 4.96 atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } ::sumAvg: 4.055 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } ::sumAvg: 4.64 atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } :: atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } ::sumAvg: 2.605 atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } :: atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } ::sumAvg: 3.885 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } :: atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } ::sumAvg: 2.74 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } ::sumAvg: 3.095 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } ::sumAvg: 4.2 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 249 44M-H N 9.658 ambi=1 { N:126.477 } ::sumAvg: 3.64 atom: 911 72W-HZ2 Z2 7.182 ambi=1 { CZ2:114.3 } atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } ::sumAvg: 4.25 atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } :: atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } ::sumAvg: 4.645 atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } ::sumAvg: 4.735 atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } ::sumAvg: 3.41 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } ::sumAvg: 4.745 atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } ::sumAvg: 3.615 atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } ::sumAvg: 3.82 atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } ::sumAvg: 4.795 atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } :: atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } ::sumAvg: 3.84 atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } ::sumAvg: 4.81 atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } :: atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } ::sumAvg: 4.44 atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 3.245 atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 2.975 atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.64 atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.835 atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.51 atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } ::sumAvg: 4.865 atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } atom: 309 53V-HB B 1.989 ambi=1 { CB:35.105 } ::sumAvg: 4.82 atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } ::sumAvg: 4.615 atom: 1102 88W-HD1 D1 7.414 ambi=1 { CD1:123.9 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } ::sumAvg: 4.975 atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } ::sumAvg: 4.99 atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } :: atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } ::sumAvg: 4.695 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } ::sumAvg: 4.015 atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } ::sumAvg: 4.735 atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.46 atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } :: atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } ::sumAvg: 4.025 atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } atom: 2901 90N-HD21 D2 7.033 ambi=2 { ND2:113 } :: atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } atom: 2902 90N-HD22 D2 7.676 ambi=2 { ND2:113 } ::sumAvg: 4.43 atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 331 56K-H N 7.551 ambi=1 { N:127.706 } ::sumAvg: 4.53 atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } :: atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } ::sumAvg: 4.92 atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 3.77 atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } ::sumAvg: 3.77 atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } ::sumAvg: 4.255 atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 540 86L-HB2 B 1.467 ambi=2 { CB:44.07 } :: atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 541 86L-HB3 B 1.539 ambi=2 { CB:44.07 } ::sumAvg: 3.165 atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.975 atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 560 89K-HB2 B 1.913 ambi=2 { CB:32.36 } :: atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } ::sumAvg: 4.88 atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } ::sumAvg: 4.665 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } ::sumAvg: 3.505 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } :: atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } ::sumAvg: 4.905 atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } ::sumAvg: 4.645 atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } :: atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } ::sumAvg: 4.4 atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.14 atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } :: atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } ::sumAvg: 4.93 atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } ::sumAvg: 4.78 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 345 58T-H N 8.722 ambi=1 { N:116.096 } ::sumAvg: 3.96 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } ::sumAvg: 4.73 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } ::sumAvg: 3.285 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 540 86L-HB2 B 1.467 ambi=2 { CB:44.07 } :: atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 541 86L-HB3 B 1.539 ambi=2 { CB:44.07 } ::sumAvg: 4.375 atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } atom: 7539 86L-HG G 1.452 ambi=1 { CG:26.99 } ::sumAvg: 4.815 atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } atom: 358 60R-H N 8.176 ambi=1 { N:118.244 } ::sumAvg: 3.5 atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } atom: 358 60R-H N 8.176 ambi=1 { N:118.244 } ::sumAvg: 4.575 atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } ::sumAvg: 4.885 atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } atom: 360 60R-HB2 B 2.029 ambi=2 { CB:29.846 } :: atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } atom: 361 60R-HB3 B 1.75 ambi=2 { CB:29.846 } ::sumAvg: 3.93 atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } ::sumAvg: 4.365 atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } ::sumAvg: 3.595 atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 3.375 atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.835 atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } atom: 526 84T-HA A 4.567 ambi=1 { CA:64.77 } ::sumAvg: 4.785 atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } ::sumAvg: 3.635 atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } ::sumAvg: 3.84 atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } atom: 424 69V-HB B 2.345 ambi=1 { CB:33.6 } ::sumAvg: 3.775 atom: 911 72W-HZ2 Z2 7.182 ambi=1 { CZ2:114.3 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 3.62 atom: 913 72W-HH2 H2 6.88 ambi=1 { CH2:124.1 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.665 atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.76 atom: 1102 88W-HD1 D1 7.414 ambi=1 { CD1:123.9 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.725 atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.41 atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 3.1 atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.925 atom: 907 72W-HD1 D1 7.026 ambi=1 { CD1:126.7 } atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } ::sumAvg: 3.955 atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } ::sumAvg: 3.485 atom: 915 72W-HZ3 Z3 7.075 ambi=1 { CZ3:121.3 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 915 72W-HZ3 Z3 7.075 ambi=1 { CZ3:121.3 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 4.935 atom: 907 72W-HD1 D1 7.026 ambi=1 { CD1:126.7 } atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } ::sumAvg: 4.68 atom: 913 72W-HH2 H2 6.88 ambi=1 { CH2:124.1 } atom: 909 72W-HE1 E1 11.5 ambi=1 { NE1:132.2 } ::sumAvg: 4.96 atom: 913 72W-HH2 H2 6.88 ambi=1 { CH2:124.1 } atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } ::sumAvg: 4.265 atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } atom: 913 72W-HH2 H2 6.88 ambi=1 { CH2:124.1 } ::sumAvg: 4.265 atom: 915 72W-HZ3 Z3 7.075 ambi=1 { CZ3:121.3 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } ::sumAvg: 4.72 atom: 915 72W-HZ3 Z3 7.075 ambi=1 { CZ3:121.3 } atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } ::sumAvg: 4.3 atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } ::sumAvg: 3.855 atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } ::sumAvg: 3.305 atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } ::sumAvg: 2.805 atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 4.54 atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } ::sumAvg: 4.88 atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } ::sumAvg: 3.6 atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } ::sumAvg: 4.3 atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } ::sumAvg: 4.28 atom: 1102 88W-HD1 D1 7.414 ambi=1 { CD1:123.9 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 4.92 atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 4.71 atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } ::sumAvg: 4.725 atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 2.63 atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.745 atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } ::sumAvg: 4.95 atom: 1102 88W-HD1 D1 7.414 ambi=1 { CD1:123.9 } atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } :: atom: 1102 88W-HD1 D1 7.414 ambi=1 { CD1:123.9 } atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } ::sumAvg: 3.005 atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } ::sumAvg: 4.26 atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } :: atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } ::sumAvg: 3.915 atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } ::sumAvg: 4.265 atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } ::sumAvg: 4.265 atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } ::sumAvg: 2.455 atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } ::sumAvg: 4.81 atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } ::sumAvg: 4.81 atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } ::sumAvg: 4.09 atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } ::sumAvg: 4.09 atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } ::sumAvg: 2.455 atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } :: atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } ::sumAvg: 4.665 atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 593 93S-HA A 3.977 ambi=1 { CA:58.94 } ::sumAvg: 3.98 atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } atom: 599 94W-H N 7.857 ambi=1 { N:120.449 } ::sumAvg: 4.675 atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 599 94W-H N 7.857 ambi=1 { N:120.449 } ::sumAvg: 4.9 atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } atom: 600 94W-HA A 4.905 ambi=1 { CA:56.77 } ::sumAvg: 4.5 atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } :: atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } ::sumAvg: 4.985 atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } atom: 606 95G-H N 7.795 ambi=1 { N:109.481 } ::sumAvg: 3.775 atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } atom: 607 95G-HA2 A 3.953 ambi=2 { CA:45.487 } :: atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } atom: 608 95G-HA3 A 3.763 ambi=2 { CA:45.487 } ::sumAvg: 3.815 atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } atom: 611 96T-H N 8.028 ambi=1 { N:112.538 } ::sumAvg: 3.995 atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } ::sumAvg: 4.205 atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } atom: 617 97G-H N 8.443 ambi=1 { N:111.464 } ::sumAvg: 4.855 atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } atom: 938 94W-HE1 E1 10.53 ambi=1 { NE1:131.6 } ::sumAvg: 4.96 atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } :: atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } ::sumAvg: 4.285 atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } ::sumAvg: 4.96 atom: 860 119F-QD D 7.268 ambi=3 { CD1:131.8 } atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } :: atom: 860 119F-QD D 7.268 ambi=3 { CD1:131.8 } atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } ::sumAvg: 4.605 atom: 860 119F-QD D 7.268 ambi=3 { CD1:131.8 } atom: 811 118V-HA A 4.227 ambi=1 { CA:61.32 } ::sumAvg: 4.425 atom: 860 119F-QD D 7.268 ambi=3 { CD1:131.8 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } ::sumAvg: 3.675 atom: 864 119F-QE E 7.36 ambi=3 { CE1:131.8 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } ::sumAvg: 4.965 atom: 864 119F-QE E 7.36 ambi=3 { CE1:131.8 } atom: 820 119F-H N 8.58 ambi=1 { N:126.006 } ::sumAvg: 4.995 atom: 864 119F-QE E 7.36 ambi=3 { CE1:131.8 } atom: 822 119F-HB2 B 3.08 ambi=2 { CB:39.55 } :: atom: 864 119F-QE E 7.36 ambi=3 { CE1:131.8 } atom: 823 119F-HB3 B 2.97 ambi=2 { CB:39.55 } ::sumAvg: 4.395 atom: 860 119F-QD D 7.268 ambi=3 { CD1:131.8 } atom: 827 120K-H N 8.346 ambi=1 { N:124.095 } ::sumAvg: 4.145 # Missing interactons for c_ali.peaks atom: 1142 4H-HB3 B 3.11 ambi=2 { CB:29.002 } atom: 1138 4H-H N 8.528 ambi=1 { N:118.99 } :: atom: 1143 4H-HB2 B 3.05 ambi=2 { CB:29.002 } atom: 1138 4H-H N 8.528 ambi=1 { N:118.99 } ::sumAvg: 2.98 atom: 1142 4H-HB3 B 3.11 ambi=2 { CB:29.002 } atom: 1131 5H-H N 8.579 ambi=1 { N:119.72 } :: atom: 1143 4H-HB2 B 3.05 ambi=2 { CB:29.002 } atom: 1131 5H-H N 8.579 ambi=1 { N:119.72 } ::sumAvg: 3.255 atom: 1137 5H-HA A 4.737 ambi=1 { CA:55.33 } atom: 1142 4H-HB3 B 3.11 ambi=2 { CB:29.002 } :: atom: 1137 5H-HA A 4.737 ambi=1 { CA:55.33 } atom: 1143 4H-HB2 B 3.05 ambi=2 { CB:29.002 } ::sumAvg: 4.945 atom: 1142 4H-HB3 B 3.11 ambi=2 { CB:29.002 } atom: 1124 6H-H N 8.603 ambi=1 { N:121.42 } :: atom: 1143 4H-HB2 B 3.05 ambi=2 { CB:29.002 } atom: 1124 6H-H N 8.603 ambi=1 { N:121.42 } ::sumAvg: 4.935 atom: 1144 4H-HA A 4.624 ambi=1 { CA:55.277 } atom: 1135 5H-QB B 3.249 ambi=2 { CB:29.257 } ::sumAvg: 4.445 atom: 1135 5H-QB B 3.249 ambi=2 { CB:29.257 } atom: 1144 4H-HA A 4.624 ambi=1 { CA:55.277 } ::sumAvg: 4.445 atom: 1135 5H-QB B 3.249 ambi=2 { CB:29.257 } atom: 1130 6H-HA A 4.674 ambi=1 { CA:55.15 } ::sumAvg: 4.245 atom: 1130 6H-HA A 4.674 ambi=1 { CA:55.15 } atom: 1135 5H-QB B 3.249 ambi=2 { CB:29.257 } ::sumAvg: 4.245 atom: 1128 6H-QB B 3.157 ambi=2 { CB:27.34 } atom: 1137 5H-HA A 4.737 ambi=1 { CA:55.33 } ::sumAvg: 4.695 atom: 1128 6H-QB B 3.157 ambi=2 { CB:27.34 } atom: 1116 8H-H N 8.706 ambi=1 { N:121.2 } ::sumAvg: 4.84 atom: 1128 6H-QB B 3.157 ambi=2 { CB:27.34 } atom: 1117 7H-HA A 4.658 ambi=1 { CA:55.1 } ::sumAvg: 4.36 atom: 1128 6H-QB B 3.157 ambi=2 { CB:27.34 } atom: 1130 6H-HA A 4.674 ambi=1 { CA:55.15 } ::sumAvg: 2.32 atom: 8 9S-QB B 3.849 ambi=2 { CB:63.74 } atom: 1 8H-HA A 4.706 ambi=1 { CA:55.156 } ::sumAvg: 4.61 atom: 2 8H-QB B 3.179 ambi=2 { CB:29.396 } atom: 7 9S-HA A 4.45 ambi=1 { CA:58.2 } ::sumAvg: 4.64 atom: 7 9S-HA A 4.45 ambi=1 { CA:58.2 } atom: 2 8H-QB B 3.179 ambi=2 { CB:29.396 } ::sumAvg: 4.64 atom: 7 9S-HA A 4.45 ambi=1 { CA:58.2 } atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } ::sumAvg: 4.565 atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } atom: 7 9S-HA A 4.45 ambi=1 { CA:58.2 } ::sumAvg: 4.565 atom: 8 9S-QB B 3.849 ambi=2 { CB:63.74 } atom: 982 10H-HA A 4.726 ambi=1 { CA:55.64 } ::sumAvg: 4.495 atom: 982 10H-HA A 4.726 ambi=1 { CA:55.64 } atom: 8 9S-QB B 3.849 ambi=2 { CB:63.74 } ::sumAvg: 4.495 atom: 8 9S-QB B 3.849 ambi=2 { CB:63.74 } atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } ::sumAvg: 4.755 atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } atom: 8 9S-QB B 3.849 ambi=2 { CB:63.74 } ::sumAvg: 4.755 atom: 18 12T-HB B 4.263 ambi=1 { CB:70.45 } atom: 21 13G-H N 8.426 ambi=1 { N:110.872 } ::sumAvg: 3.6 atom: 982 10H-HA A 4.726 ambi=1 { CA:55.64 } atom: 980 11M-HG2 G 2.271 ambi=2 { CG:33.49 } :: atom: 982 10H-HA A 4.726 ambi=1 { CA:55.64 } atom: 981 11M-HG3 G 2.348 ambi=2 { CG:33.49 } ::sumAvg: 4.57 atom: 980 11M-HG2 G 2.271 ambi=2 { CG:33.49 } atom: 982 10H-HA A 4.726 ambi=1 { CA:55.64 } :: atom: 981 11M-HG3 G 2.348 ambi=2 { CG:33.49 } atom: 982 10H-HA A 4.726 ambi=1 { CA:55.64 } ::sumAvg: 4.57 atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } atom: 978 11M-HB2 B 2.06 ambi=2 { CB:33.09 } :: atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } atom: 979 11M-HB3 B 2.17 ambi=2 { CB:33.09 } ::sumAvg: 4.82 atom: 978 11M-HB2 B 2.06 ambi=2 { CB:33.09 } atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } :: atom: 979 11M-HB3 B 2.17 ambi=2 { CB:33.09 } atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } ::sumAvg: 4.82 atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } atom: 980 11M-HG2 G 2.271 ambi=2 { CG:33.49 } :: atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } atom: 981 11M-HG3 G 2.348 ambi=2 { CG:33.49 } ::sumAvg: 4.31 atom: 980 11M-HG2 G 2.271 ambi=2 { CG:33.49 } atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } :: atom: 981 11M-HG3 G 2.348 ambi=2 { CG:33.49 } atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } ::sumAvg: 4.31 atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } ::sumAvg: 4.595 atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } ::sumAvg: 4.595 atom: 983 10H-QB B 3.194 ambi=2 { CB:29.172 } atom: 985 12T-H N 8.339 ambi=1 { N:115.7 } ::sumAvg: 4.955 atom: 980 11M-HG2 G 2.271 ambi=2 { CG:33.49 } atom: 973 11M-H N 8.528 ambi=1 { N:122.4 } :: atom: 981 11M-HG3 G 2.348 ambi=2 { CG:33.49 } atom: 973 11M-H N 8.528 ambi=1 { N:122.4 } ::sumAvg: 2.97 atom: 3258 11M-HE E 2.095 ambi=1 { CE:16.85 } atom: 973 11M-H N 8.528 ambi=1 { N:122.4 } ::sumAvg: 4.41 atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } atom: 973 11M-H N 8.528 ambi=1 { N:122.4 } ::sumAvg: 4.935 atom: 977 11M-HA A 4.658 ambi=1 { CA:55.438 } atom: 980 11M-HG2 G 2.271 ambi=2 { CG:33.49 } :: atom: 977 11M-HA A 4.658 ambi=1 { CA:55.438 } atom: 981 11M-HG3 G 2.348 ambi=2 { CG:33.49 } ::sumAvg: 2.965 atom: 977 11M-HA A 4.658 ambi=1 { CA:55.438 } atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } ::sumAvg: 3.785 atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } atom: 977 11M-HA A 4.658 ambi=1 { CA:55.438 } ::sumAvg: 3.785 atom: 977 11M-HA A 4.658 ambi=1 { CA:55.438 } atom: 21 13G-H N 8.426 ambi=1 { N:110.872 } ::sumAvg: 4.925 atom: 17 12T-HA A 4.45 ambi=1 { CA:61.81 } atom: 978 11M-HB2 B 2.06 ambi=2 { CB:33.09 } :: atom: 17 12T-HA A 4.45 ambi=1 { CA:61.81 } atom: 979 11M-HB3 B 2.17 ambi=2 { CB:33.09 } ::sumAvg: 4.82 atom: 978 11M-HB2 B 2.06 ambi=2 { CB:33.09 } atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } :: atom: 979 11M-HB3 B 2.17 ambi=2 { CB:33.09 } atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } ::sumAvg: 4.59 atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } atom: 978 11M-HB2 B 2.06 ambi=2 { CB:33.09 } :: atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } atom: 979 11M-HB3 B 2.17 ambi=2 { CB:33.09 } ::sumAvg: 4.59 atom: 980 11M-HG2 G 2.271 ambi=2 { CG:33.49 } atom: 985 12T-H N 8.339 ambi=1 { N:115.7 } :: atom: 981 11M-HG3 G 2.348 ambi=2 { CG:33.49 } atom: 985 12T-H N 8.339 ambi=1 { N:115.7 } ::sumAvg: 4.965 atom: 3258 11M-HE E 2.095 ambi=1 { CE:16.85 } atom: 985 12T-H N 8.339 ambi=1 { N:115.7 } ::sumAvg: 4.42 atom: 17 12T-HA A 4.45 ambi=1 { CA:61.81 } atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } ::sumAvg: 4.53 atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } atom: 17 12T-HA A 4.45 ambi=1 { CA:61.81 } ::sumAvg: 4.53 atom: 17 12T-HA A 4.45 ambi=1 { CA:61.81 } atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } ::sumAvg: 4.96 atom: 27 14N-HA A 4.72 ambi=1 { CA:54.2 } atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } :: atom: 27 14N-HA A 4.72 ambi=1 { CA:54.2 } atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } ::sumAvg: 4.28 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 27 14N-HA A 4.72 ambi=1 { CA:54.2 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 27 14N-HA A 4.72 ambi=1 { CA:54.2 } ::sumAvg: 4.28 atom: 27 14N-HA A 4.72 ambi=1 { CA:54.2 } atom: 171 32T-H N 8.455 ambi=1 { N:115.755 } ::sumAvg: 4.69 atom: 27 14N-HA A 4.72 ambi=1 { CA:54.2 } atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } ::sumAvg: 4.765 atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } atom: 27 14N-HA A 4.72 ambi=1 { CA:54.2 } ::sumAvg: 4.765 atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } :: atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } :: atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } :: atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } ::sumAvg: 4.24 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } :: atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } ::sumAvg: 4.24 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } :: atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } ::sumAvg: 4.645 atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } :: atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } ::sumAvg: 4.945 atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } :: atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } ::sumAvg: 4.945 atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } :: atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } ::sumAvg: 4.31 atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } :: atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } ::sumAvg: 4.31 atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } :: atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } ::sumAvg: 3.92 atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } :: atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } ::sumAvg: 3.38 atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } :: atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } ::sumAvg: 3.38 atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } :: atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } :: atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } :: atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } ::sumAvg: 4.95 atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } atom: 21 13G-H N 8.426 ambi=1 { N:110.872 } ::sumAvg: 3.125 atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } :: atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } atom: 971 12T-HG2 G2 1.253 ambi=1 { CG2:21.43 } ::sumAvg: 4.61 atom: 18 12T-HB B 4.263 ambi=1 { CB:70.45 } atom: 985 12T-H N 8.339 ambi=1 { N:115.7 } ::sumAvg: 3.165 atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } atom: 27 14N-HA A 4.72 ambi=1 { CA:54.2 } :: atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } atom: 27 14N-HA A 4.72 ambi=1 { CA:54.2 } ::sumAvg: 4.445 atom: 27 14N-HA A 4.72 ambi=1 { CA:54.2 } atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } :: atom: 27 14N-HA A 4.72 ambi=1 { CA:54.2 } atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } ::sumAvg: 4.445 atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } :: atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } :: atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } :: atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } ::sumAvg: 4.73 atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } :: atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } :: atom: 28 14N-HB2 B 2.82 ambi=2 { CB:39.21 } atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } :: atom: 29 14N-HB3 B 2.935 ambi=2 { CB:39.21 } atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } ::sumAvg: 4.73 atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } :: atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } ::sumAvg: 4.275 atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } :: atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } :: atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } :: atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } ::sumAvg: 4.3 atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } :: atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } ::sumAvg: 4.35 atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } :: atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } ::sumAvg: 3.33 atom: 22 13G-HA2 A 4.287 ambi=2 { CA:45.243 } atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } :: atom: 23 13G-HA3 A 3.877 ambi=2 { CA:45.243 } atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } ::sumAvg: 4.985 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 26 14N-H N 8.374 ambi=1 { N:117.789 } ::sumAvg: 4.965 atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } atom: 26 14N-H N 8.374 ambi=1 { N:117.789 } :: atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } atom: 26 14N-H N 8.374 ambi=1 { N:117.789 } ::sumAvg: 4.03 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } :: atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } ::sumAvg: 4.605 atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } :: atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } ::sumAvg: 4.875 atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } :: atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } atom: 1161 14N-HD21 D2 7.041 ambi=2 { ND2:112.3 } :: atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } :: atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } atom: 1162 14N-HD22 D2 7.47 ambi=2 { ND2:112.3 } ::sumAvg: 4.495 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } ::sumAvg: 2.895 atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } ::sumAvg: 4.745 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 33 15V-H N 7.89 ambi=1 { N:118.72 } ::sumAvg: 4.95 atom: 9934 15V-HB B 1.927 ambi=1 { CB:33.23 } atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } ::sumAvg: 4.185 atom: 9934 15V-HB B 1.927 ambi=1 { CB:33.23 } atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } ::sumAvg: 4.26 atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } atom: 9934 15V-HB B 1.927 ambi=1 { CB:33.23 } ::sumAvg: 4.26 atom: 9934 15V-HB B 1.927 ambi=1 { CB:33.23 } atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } ::sumAvg: 4.435 atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } atom: 9934 15V-HB B 1.927 ambi=1 { CB:33.23 } ::sumAvg: 4.435 atom: 9934 15V-HB B 1.927 ambi=1 { CB:33.23 } atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } ::sumAvg: 4.29 atom: 9934 15V-HB B 1.927 ambi=1 { CB:33.23 } atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } ::sumAvg: 4.66 atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } atom: 9934 15V-HB B 1.927 ambi=1 { CB:33.23 } ::sumAvg: 4.76 atom: 9934 15V-HB B 1.927 ambi=1 { CB:33.23 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 3.89 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 9934 15V-HB B 1.927 ambi=1 { CB:33.23 } ::sumAvg: 3.89 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } :: atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } ::sumAvg: 4.995 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } ::sumAvg: 4.84 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } ::sumAvg: 4.655 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } ::sumAvg: 3.805 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } ::sumAvg: 4.15 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 4.93 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } ::sumAvg: 4.865 atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } ::sumAvg: 4.865 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } :: atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } ::sumAvg: 4.445 atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } :: atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } :: atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } :: atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } ::sumAvg: 4.62 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } ::sumAvg: 4.545 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 922 42W-HH2 H2 7.19 ambi=1 { CH2:124.4 } ::sumAvg: 3.97 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 924 42W-HZ2 Z2 7.612 ambi=1 { CZ2:115.9 } ::sumAvg: 3.615 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } ::sumAvg: 4.63 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 4.84 atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } :: atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } ::sumAvg: 4.005 atom: 9935 15V-HG1 G1 0.688 ambi=2 { CG1:22.09 } atom: 422 69V-H N 8.78 ambi=1 { N:120.958 } :: atom: 9936 15V-HG2 G2 0.807 ambi=2 { CG2:21.73 } atom: 422 69V-H N 8.78 ambi=1 { N:120.958 } ::sumAvg: 4.765 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 9934 15V-HB B 1.927 ambi=1 { CB:33.23 } ::sumAvg: 2.735 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } ::sumAvg: 2.225 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } :: atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } ::sumAvg: 4.645 atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } :: atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } ::sumAvg: 4.645 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } ::sumAvg: 4.465 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } ::sumAvg: 4.61 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } ::sumAvg: 2.325 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } :: atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } ::sumAvg: 3.955 atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } :: atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } ::sumAvg: 3.955 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 171 32T-H N 8.455 ambi=1 { N:115.755 } ::sumAvg: 2.835 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } ::sumAvg: 3.78 atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } ::sumAvg: 3.78 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 4.875 atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } ::sumAvg: 4.875 atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 4.94 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 9933 15V-HA A 4.843 ambi=1 { CA:61.759 } ::sumAvg: 4.94 atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } :: atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } ::sumAvg: 4.34 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } ::sumAvg: 4.85 atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } ::sumAvg: 4.985 atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } :: atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } ::sumAvg: 4.13 atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } atom: 37 16C-H N 9.06 ambi=1 { N:122.674 } ::sumAvg: 3.6 atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } :: atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } ::sumAvg: 4.995 atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } :: atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } ::sumAvg: 4.995 atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } :: atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } ::sumAvg: 4.735 atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } :: atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } :: atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } :: atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } ::sumAvg: 4.67 atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } :: atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } ::sumAvg: 3.675 atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } :: atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 4.55 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } :: atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } ::sumAvg: 4.55 atom: 768 113A-HB B 1.573 ambi=1 { CB:22.4 } atom: 38 16C-HB2 B 2.947 ambi=2 { CB:30.9 } :: atom: 768 113A-HB B 1.573 ambi=1 { CB:22.4 } atom: 39 16C-HB3 B 3.02 ambi=2 { CB:30.9 } ::sumAvg: 3.785 atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } ::sumAvg: 3.795 atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } ::sumAvg: 4.81 atom: 2148 29L-HG G 1.57 ambi=1 { CG:28.39 } atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } ::sumAvg: 4.295 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } ::sumAvg: 4.715 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } ::sumAvg: 3.025 atom: 787 115R-HB2 B 1.467 ambi=2 { CB:33.73 } atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } :: atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } atom: 43 17I-H N 8.845 ambi=1 { N:122.609 } ::sumAvg: 4.95 atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } :: atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } ::sumAvg: 4.615 atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } ::sumAvg: 4.26 atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } ::sumAvg: 4.395 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } ::sumAvg: 4.395 atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } ::sumAvg: 4.885 atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } :: atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } ::sumAvg: 3.645 atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 4.13 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } ::sumAvg: 4.13 atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } ::sumAvg: 4.36 atom: 44 17I-HA A 4.153 ambi=1 { CA:61.08 } atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } ::sumAvg: 4.36 atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } atom: 45 17I-HB B 1.736 ambi=1 { CB:36.397 } ::sumAvg: 4.905 atom: 45 17I-HB B 1.736 ambi=1 { CB:36.397 } atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } ::sumAvg: 4.905 atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } atom: 46 17I-QG1 G1 1.429 ambi=2 { CG1:27.23 } ::sumAvg: 3.97 atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } ::sumAvg: 3.915 atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } :: atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } ::sumAvg: 4.92 atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } :: atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } ::sumAvg: 4.92 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } ::sumAvg: 4.505 atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } ::sumAvg: 4.68 atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 3.125 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } ::sumAvg: 3.125 atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } :: atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } ::sumAvg: 4.36 atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } :: atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } atom: 9938 16C-HA A 4.899 ambi=1 { CA:54.62 } ::sumAvg: 4.36 atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } atom: 67 19E-HA A 4.47 ambi=1 { CA:56.11 } :: atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } atom: 67 19E-HA A 4.47 ambi=1 { CA:56.11 } ::sumAvg: 4.765 atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } atom: 69 19E-HB3 B 2.181 ambi=2 { CB:33.847 } :: atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } atom: 69 19E-HB3 B 2.181 ambi=2 { CB:33.847 } ::sumAvg: 4.185 atom: 69 19E-HB3 B 2.181 ambi=2 { CB:33.847 } atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } :: atom: 69 19E-HB3 B 2.181 ambi=2 { CB:33.847 } atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } ::sumAvg: 4.185 atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } :: atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } ::sumAvg: 3.63 atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } :: atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } ::sumAvg: 4.055 atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } :: atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } ::sumAvg: 4.745 atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } :: atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } :: atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } :: atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } ::sumAvg: 4.79 atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } :: atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } :: atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } :: atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } ::sumAvg: 4.79 atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } :: atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } ::sumAvg: 4.18 atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } :: atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } ::sumAvg: 4.18 atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } ::sumAvg: 3.33 atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } ::sumAvg: 3.33 atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } atom: 7418 68T-HG2 G2 1.13 ambi=1 { CG2:20.69 } :: atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } atom: 7418 68T-HG2 G2 1.13 ambi=1 { CG2:20.69 } ::sumAvg: 4.035 atom: 7418 68T-HG2 G2 1.13 ambi=1 { CG2:20.69 } atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } :: atom: 7418 68T-HG2 G2 1.13 ambi=1 { CG2:20.69 } atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } ::sumAvg: 4.035 atom: 45 17I-HB B 1.736 ambi=1 { CB:36.397 } atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } ::sumAvg: 4.255 atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } atom: 45 17I-HB B 1.736 ambi=1 { CB:36.397 } :: atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } atom: 45 17I-HB B 1.736 ambi=1 { CB:36.397 } ::sumAvg: 4.41 atom: 45 17I-HB B 1.736 ambi=1 { CB:36.397 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 3.96 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 45 17I-HB B 1.736 ambi=1 { CB:36.397 } ::sumAvg: 3.96 atom: 45 17I-HB B 1.736 ambi=1 { CB:36.397 } atom: 785 115R-H N 8.989 ambi=1 { N:122.92 } ::sumAvg: 4.995 atom: 2790 115R-HD2 D 2.986 ambi=2 { CD:43.17 } atom: 45 17I-HB B 1.736 ambi=1 { CB:36.397 } :: atom: 2791 115R-HD3 D 3.219 ambi=2 { CD:43.17 } atom: 45 17I-HB B 1.736 ambi=1 { CB:36.397 } ::sumAvg: 3.82 atom: 46 17I-QG1 G1 1.429 ambi=2 { CG1:27.23 } atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } ::sumAvg: 4.305 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 46 17I-QG1 G1 1.429 ambi=2 { CG1:27.23 } ::sumAvg: 4.915 atom: 46 17I-QG1 G1 1.429 ambi=2 { CG1:27.23 } atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } ::sumAvg: 3.715 atom: 46 17I-QG1 G1 1.429 ambi=2 { CG1:27.23 } atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } ::sumAvg: 4.985 atom: 46 17I-QG1 G1 1.429 ambi=2 { CG1:27.23 } atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } ::sumAvg: 4.485 atom: 683 104L-HG G 0.924 ambi=1 { CG:26.63 } atom: 46 17I-QG1 G1 1.429 ambi=2 { CG1:27.23 } ::sumAvg: 3.465 atom: 46 17I-QG1 G1 1.429 ambi=2 { CG1:27.23 } atom: 785 115R-H N 8.989 ambi=1 { N:122.92 } ::sumAvg: 4.99 atom: 46 17I-QG1 G1 1.429 ambi=2 { CG1:27.23 } atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } ::sumAvg: 4.47 atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } atom: 46 17I-QG1 G1 1.429 ambi=2 { CG1:27.23 } ::sumAvg: 4.47 atom: 58 18E-HB2 B 1.74 ambi=2 { CB:30.55 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } :: atom: 59 18E-HB3 B 1.77 ambi=2 { CB:30.55 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } ::sumAvg: 4.38 atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 57 18E-HA A 4.23 ambi=1 { CA:57.16 } ::sumAvg: 4.08 atom: 57 18E-HA A 4.23 ambi=1 { CA:57.16 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } ::sumAvg: 4.08 atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 67 19E-HA A 4.47 ambi=1 { CA:56.11 } ::sumAvg: 3.21 atom: 67 19E-HA A 4.47 ambi=1 { CA:56.11 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } ::sumAvg: 3.21 atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 68 19E-HB2 B 1.802 ambi=2 { CB:33.847 } :: atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 69 19E-HB3 B 2.181 ambi=2 { CB:33.847 } ::sumAvg: 4.825 atom: 68 19E-HB2 B 1.802 ambi=2 { CB:33.847 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } :: atom: 69 19E-HB3 B 2.181 ambi=2 { CB:33.847 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } ::sumAvg: 4.825 atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 76 20I-H N 8.744 ambi=1 { N:127.309 } ::sumAvg: 4.12 atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } ::sumAvg: 4.41 atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } ::sumAvg: 4.41 atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 4.87 atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } ::sumAvg: 4.87 atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } ::sumAvg: 4.075 atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } :: atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } ::sumAvg: 4.835 atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } ::sumAvg: 4.845 atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } ::sumAvg: 3.53 atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } ::sumAvg: 3.53 atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } ::sumAvg: 4.425 atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } ::sumAvg: 4.425 atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 4.21 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } ::sumAvg: 4.21 atom: 48 17I-HG2 G2 0.66 ambi=1 { CG2:18.364 } atom: 785 115R-H N 8.989 ambi=1 { N:122.92 } ::sumAvg: 4.885 atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } :: atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } ::sumAvg: 4.16 atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } ::sumAvg: 4.165 atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } ::sumAvg: 4.165 atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } ::sumAvg: 4.295 atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } ::sumAvg: 4.82 atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } ::sumAvg: 3.37 atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } ::sumAvg: 3.37 atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } ::sumAvg: 4.405 atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } ::sumAvg: 4.835 atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } ::sumAvg: 4.835 atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } ::sumAvg: 4.835 atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } atom: 2790 115R-HD2 D 2.986 ambi=2 { CD:43.17 } :: atom: 49 17I-HD1 D1 0.682 ambi=1 { CD1:14.554 } atom: 2791 115R-HD3 D 3.219 ambi=2 { CD:43.17 } ::sumAvg: 4.39 atom: 67 19E-HA A 4.47 ambi=1 { CA:56.11 } atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } ::sumAvg: 4.915 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } ::sumAvg: 4.96 atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } :: atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } ::sumAvg: 4.465 atom: 2144 28R-HG2 G 1.4 ambi=2 { CG:28.379 } atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } :: atom: 2145 28R-HG3 G 1.6 ambi=2 { CG:28.379 } atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } ::sumAvg: 4.35 atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } :: atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } ::sumAvg: 4.81 atom: 2148 29L-HG G 1.57 ambi=1 { CG:28.39 } atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } ::sumAvg: 4.37 atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } :: atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } atom: 56 18E-H N 8.917 ambi=1 { N:130.894 } ::sumAvg: 4.09 atom: 68 19E-HB2 B 1.802 ambi=2 { CB:33.847 } atom: 57 18E-HA A 4.23 ambi=1 { CA:57.16 } :: atom: 69 19E-HB3 B 2.181 ambi=2 { CB:33.847 } atom: 57 18E-HA A 4.23 ambi=1 { CA:57.16 } ::sumAvg: 4.71 atom: 57 18E-HA A 4.23 ambi=1 { CA:57.16 } atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } :: atom: 57 18E-HA A 4.23 ambi=1 { CA:57.16 } atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } ::sumAvg: 4.34 atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } atom: 57 18E-HA A 4.23 ambi=1 { CA:57.16 } :: atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } atom: 57 18E-HA A 4.23 ambi=1 { CA:57.16 } ::sumAvg: 4.34 atom: 57 18E-HA A 4.23 ambi=1 { CA:57.16 } atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } ::sumAvg: 4.94 atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } atom: 57 18E-HA A 4.23 ambi=1 { CA:57.16 } ::sumAvg: 4.94 atom: 67 19E-HA A 4.47 ambi=1 { CA:56.11 } atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } ::sumAvg: 4.76 atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } atom: 67 19E-HA A 4.47 ambi=1 { CA:56.11 } ::sumAvg: 4.76 atom: 67 19E-HA A 4.47 ambi=1 { CA:56.11 } atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } ::sumAvg: 3.55 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 67 19E-HA A 4.47 ambi=1 { CA:56.11 } ::sumAvg: 3.55 atom: 68 19E-HB2 B 1.802 ambi=2 { CB:33.847 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } :: atom: 69 19E-HB3 B 2.181 ambi=2 { CB:33.847 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } ::sumAvg: 4.86 atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } atom: 68 19E-HB2 B 1.802 ambi=2 { CB:33.847 } :: atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } atom: 69 19E-HB3 B 2.181 ambi=2 { CB:33.847 } ::sumAvg: 4.86 atom: 69 19E-HB3 B 2.181 ambi=2 { CB:33.847 } atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } ::sumAvg: 3.815 atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 69 19E-HB3 B 2.181 ambi=2 { CB:33.847 } ::sumAvg: 3.815 atom: 67 19E-HA A 4.47 ambi=1 { CA:56.11 } atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } ::sumAvg: 4.22 atom: 68 19E-HB2 B 1.802 ambi=2 { CB:33.847 } atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } ::sumAvg: 2.86 atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } :: atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } ::sumAvg: 4.9 atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } atom: 2144 28R-HG2 G 1.4 ambi=2 { CG:28.379 } :: atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } atom: 2145 28R-HG3 G 1.6 ambi=2 { CG:28.379 } ::sumAvg: 4.66 atom: 2144 28R-HG2 G 1.4 ambi=2 { CG:28.379 } atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } :: atom: 2145 28R-HG3 G 1.6 ambi=2 { CG:28.379 } atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } ::sumAvg: 4.66 atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } ::sumAvg: 4.465 atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } ::sumAvg: 4.465 atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } :: atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } ::sumAvg: 4.11 atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } :: atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } ::sumAvg: 4.11 atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } ::sumAvg: 4.15 atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } ::sumAvg: 4.15 atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } ::sumAvg: 3.605 atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } ::sumAvg: 3.605 atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } atom: 7418 68T-HG2 G2 1.13 ambi=1 { CG2:20.69 } ::sumAvg: 4.82 atom: 7418 68T-HG2 G2 1.13 ambi=1 { CG2:20.69 } atom: 60 18E-QG G 2.25 ambi=2 { CG:34.18 } ::sumAvg: 4.82 atom: 70 19E-HG2 G 2.03 ambi=2 { CG:35.383 } atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } :: atom: 71 19E-HG3 G 2.37 ambi=2 { CG:35.383 } atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } ::sumAvg: 4.595 atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } ::sumAvg: 4.725 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } ::sumAvg: 4.36 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } ::sumAvg: 4.405 atom: 2144 28R-HG2 G 1.4 ambi=2 { CG:28.379 } atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } :: atom: 2145 28R-HG3 G 1.6 ambi=2 { CG:28.379 } atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } ::sumAvg: 4.135 atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } ::sumAvg: 4.705 atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } atom: 66 19E-H N 7.853 ambi=1 { N:115.069 } ::sumAvg: 4.285 atom: 251 44M-HB2 B 1.817 ambi=2 { CB:37.49 } atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } :: atom: 252 44M-HB3 B 2.226 ambi=2 { CB:37.49 } atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } ::sumAvg: 4.96 atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 251 44M-HB2 B 1.817 ambi=2 { CB:37.49 } :: atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 252 44M-HB3 B 2.226 ambi=2 { CB:37.49 } ::sumAvg: 4.96 atom: 251 44M-HB2 B 1.817 ambi=2 { CB:37.49 } atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } :: atom: 252 44M-HB3 B 2.226 ambi=2 { CB:37.49 } atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } ::sumAvg: 4.71 atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 251 44M-HB2 B 1.817 ambi=2 { CB:37.49 } :: atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 252 44M-HB3 B 2.226 ambi=2 { CB:37.49 } ::sumAvg: 4.71 atom: 251 44M-HB2 B 1.817 ambi=2 { CB:37.49 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } :: atom: 252 44M-HB3 B 2.226 ambi=2 { CB:37.49 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } ::sumAvg: 3.31 atom: 251 44M-HB2 B 1.817 ambi=2 { CB:37.49 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } :: atom: 252 44M-HB3 B 2.226 ambi=2 { CB:37.49 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } ::sumAvg: 3.375 atom: 251 44M-HB2 B 1.817 ambi=2 { CB:37.49 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } :: atom: 252 44M-HB3 B 2.226 ambi=2 { CB:37.49 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } ::sumAvg: 3.88 atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } atom: 251 44M-HB2 B 1.817 ambi=2 { CB:37.49 } :: atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } atom: 252 44M-HB3 B 2.226 ambi=2 { CB:37.49 } ::sumAvg: 4.1 atom: 70 19E-HG2 G 2.03 ambi=2 { CG:35.383 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } :: atom: 71 19E-HG3 G 2.37 ambi=2 { CG:35.383 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } ::sumAvg: 4.075 atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } atom: 70 19E-HG2 G 2.03 ambi=2 { CG:35.383 } :: atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } atom: 71 19E-HG3 G 2.37 ambi=2 { CG:35.383 } ::sumAvg: 4.075 atom: 71 19E-HG3 G 2.37 ambi=2 { CG:35.383 } atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } ::sumAvg: 4.695 atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } atom: 71 19E-HG3 G 2.37 ambi=2 { CG:35.383 } ::sumAvg: 4.695 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 70 19E-HG2 G 2.03 ambi=2 { CG:35.383 } :: atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 71 19E-HG3 G 2.37 ambi=2 { CG:35.383 } ::sumAvg: 4.415 atom: 70 19E-HG2 G 2.03 ambi=2 { CG:35.383 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } :: atom: 71 19E-HG3 G 2.37 ambi=2 { CG:35.383 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } ::sumAvg: 4.81 atom: 70 19E-HG2 G 2.03 ambi=2 { CG:35.383 } atom: 87 21D-HA A 3.949 ambi=1 { CA:54.97 } :: atom: 71 19E-HG3 G 2.37 ambi=2 { CG:35.383 } atom: 87 21D-HA A 3.949 ambi=1 { CA:54.97 } ::sumAvg: 4.41 atom: 87 21D-HA A 3.949 ambi=1 { CA:54.97 } atom: 70 19E-HG2 G 2.03 ambi=2 { CG:35.383 } :: atom: 87 21D-HA A 3.949 ambi=1 { CA:54.97 } atom: 71 19E-HG3 G 2.37 ambi=2 { CG:35.383 } ::sumAvg: 4.41 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 76 20I-H N 8.744 ambi=1 { N:127.309 } ::sumAvg: 4.62 atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } atom: 76 20I-H N 8.744 ambi=1 { N:127.309 } ::sumAvg: 4.805 atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } atom: 76 20I-H N 8.744 ambi=1 { N:127.309 } ::sumAvg: 4.525 atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } :: atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } ::sumAvg: 4.64 atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } :: atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } ::sumAvg: 4.64 atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 4.85 atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } :: atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } ::sumAvg: 3.375 atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } :: atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } ::sumAvg: 3.375 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } ::sumAvg: 2.865 atom: 134 27I-HD1 D1 0.887 ambi=1 { CD1:14.86 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } ::sumAvg: 4.685 atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } :: atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } ::sumAvg: 4.77 atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } :: atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 77 20I-HA A 4.08 ambi=1 { CA:60.619 } ::sumAvg: 4.77 atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } ::sumAvg: 3.92 atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } ::sumAvg: 4.72 atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } ::sumAvg: 4.72 atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } :: atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } ::sumAvg: 4.535 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } ::sumAvg: 4.535 atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } :: atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } ::sumAvg: 4.81 atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } ::sumAvg: 3.82 atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } ::sumAvg: 3.82 atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } atom: 2805 117T-HB B 4.23 ambi=1 { CB:70.01 } ::sumAvg: 4.21 atom: 2805 117T-HB B 4.23 ambi=1 { CB:70.01 } atom: 78 20I-HB B 1.687 ambi=1 { CB:39.17 } ::sumAvg: 4.21 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 87 21D-HA A 3.949 ambi=1 { CA:54.97 } ::sumAvg: 4.17 atom: 87 21D-HA A 3.949 ambi=1 { CA:54.97 } atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } ::sumAvg: 4.17 atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } :: atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } ::sumAvg: 3.735 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 93 22V-H N 8.65 ambi=1 { N:130.172 } ::sumAvg: 4.87 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 94 22V-HA A 3.998 ambi=1 { CA:64.445 } ::sumAvg: 4.5 atom: 94 22V-HA A 3.998 ambi=1 { CA:64.445 } atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } ::sumAvg: 4.5 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } :: atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } ::sumAvg: 4.655 atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } ::sumAvg: 4.655 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } ::sumAvg: 4.88 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } ::sumAvg: 4.9 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 2.95 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } ::sumAvg: 4.44 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } ::sumAvg: 4.475 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.87 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } ::sumAvg: 4.87 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 938 94W-HE1 E1 10.53 ambi=1 { NE1:131.6 } ::sumAvg: 3.725 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } ::sumAvg: 2.96 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } ::sumAvg: 4.355 atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } ::sumAvg: 4.755 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } ::sumAvg: 4.945 atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } atom: 2805 117T-HB B 4.23 ambi=1 { CB:70.01 } ::sumAvg: 4.485 atom: 2805 117T-HB B 4.23 ambi=1 { CB:70.01 } atom: 79 20I-HG2 G2 0.952 ambi=1 { CG2:17.63 } ::sumAvg: 4.485 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } ::sumAvg: 4.14 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 3.445 atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } ::sumAvg: 3.445 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } ::sumAvg: 4.55 atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } ::sumAvg: 4.55 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } :: atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } ::sumAvg: 2.955 atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } :: atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } ::sumAvg: 2.955 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } ::sumAvg: 3.8 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } ::sumAvg: 4.975 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } ::sumAvg: 4.325 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 789 115R-HG2 G 1.847 ambi=2 { CG:28.167 } :: atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 790 115R-HG3 G 1.61 ambi=2 { CG:28.167 } ::sumAvg: 4.9 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 2790 115R-HD2 D 2.986 ambi=2 { CD:43.17 } :: atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 2791 115R-HD3 D 3.219 ambi=2 { CD:43.17 } ::sumAvg: 4.595 atom: 2790 115R-HD2 D 2.986 ambi=2 { CD:43.17 } atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } :: atom: 2791 115R-HD3 D 3.219 ambi=2 { CD:43.17 } atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } ::sumAvg: 4.595 atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } ::sumAvg: 4.865 atom: 7778 20I-QG1 G1 0.751 ambi=2 { CG1:27.544 } atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } ::sumAvg: 4.185 atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } ::sumAvg: 4.78 atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } :: atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } ::sumAvg: 3.61 atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.68 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } ::sumAvg: 4.68 atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } ::sumAvg: 3.805 atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } ::sumAvg: 3.805 atom: 787 115R-HB2 B 1.467 ambi=2 { CB:33.73 } atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } :: atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } ::sumAvg: 4.465 atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } atom: 2790 115R-HD2 D 2.986 ambi=2 { CD:43.17 } :: atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } atom: 2791 115R-HD3 D 3.219 ambi=2 { CD:43.17 } ::sumAvg: 4.92 atom: 2790 115R-HD2 D 2.986 ambi=2 { CD:43.17 } atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } :: atom: 2791 115R-HD3 D 3.219 ambi=2 { CD:43.17 } atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } ::sumAvg: 4.92 atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } ::sumAvg: 3.875 atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } ::sumAvg: 3.875 atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } atom: 2805 117T-HB B 4.23 ambi=1 { CB:70.01 } ::sumAvg: 4.88 atom: 2805 117T-HB B 4.23 ambi=1 { CB:70.01 } atom: 7879 20I-HD1 D1 0.754 ambi=1 { CD1:14.186 } ::sumAvg: 4.88 atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } ::sumAvg: 2.955 atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } :: atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } ::sumAvg: 3.83 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 86 21D-H N 7.468 ambi=1 { N:124.858 } ::sumAvg: 4.235 atom: 95 22V-HB B 2.215 ambi=1 { CB:31.244 } atom: 87 21D-HA A 3.949 ambi=1 { CA:54.97 } ::sumAvg: 4.455 atom: 87 21D-HA A 3.949 ambi=1 { CA:54.97 } atom: 110 24G-H N 7.22 ambi=1 { N:105.293 } ::sumAvg: 4.87 atom: 87 21D-HA A 3.949 ambi=1 { CA:54.97 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } ::sumAvg: 4.465 atom: 87 21D-HA A 3.949 ambi=1 { CA:54.97 } atom: 996 26F-HZ Z 7.15 ambi=1 { CZ:130 } ::sumAvg: 4.6 atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } :: atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } ::sumAvg: 4.655 atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } :: atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } ::sumAvg: 4.655 atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } :: atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } :: atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } :: atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } ::sumAvg: 4.07 atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } :: atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } ::sumAvg: 4.07 atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } ::sumAvg: 3.74 atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } ::sumAvg: 3.74 atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } :: atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } ::sumAvg: 4.655 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } :: atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } ::sumAvg: 4.81 atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } :: atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 3.46 atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } :: atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } ::sumAvg: 3.355 atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } :: atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 4.455 atom: 88 21D-HB2 B 0.366 ambi=2 { CB:42.17 } atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } :: atom: 89 21D-HB3 B 1.842 ambi=2 { CB:42.17 } atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } ::sumAvg: 4.36 atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } atom: 93 22V-H N 8.65 ambi=1 { N:130.172 } ::sumAvg: 4.155 atom: 94 22V-HA A 3.998 ambi=1 { CA:64.445 } atom: 104 23D-HA A 4.711 ambi=1 { CA:53.92 } ::sumAvg: 4.655 atom: 104 23D-HA A 4.711 ambi=1 { CA:53.92 } atom: 94 22V-HA A 3.998 ambi=1 { CA:64.445 } ::sumAvg: 4.655 atom: 94 22V-HA A 3.998 ambi=1 { CA:64.445 } atom: 110 24G-H N 7.22 ambi=1 { N:105.293 } ::sumAvg: 4.66 atom: 94 22V-HA A 3.998 ambi=1 { CA:64.445 } atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } :: atom: 94 22V-HA A 3.998 ambi=1 { CA:64.445 } atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } ::sumAvg: 4.495 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 94 22V-HA A 3.998 ambi=1 { CA:64.445 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 94 22V-HA A 3.998 ambi=1 { CA:64.445 } ::sumAvg: 4.495 atom: 94 22V-HA A 3.998 ambi=1 { CA:64.445 } atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } ::sumAvg: 4.22 atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } atom: 94 22V-HA A 3.998 ambi=1 { CA:64.445 } ::sumAvg: 4.22 atom: 95 22V-HB B 2.215 ambi=1 { CB:31.244 } atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } ::sumAvg: 4.88 atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } atom: 95 22V-HB B 2.215 ambi=1 { CB:31.244 } ::sumAvg: 4.88 atom: 104 23D-HA A 4.711 ambi=1 { CA:53.92 } atom: 96 22V-QG G 1.057 ambi=2 { QCG:20.355 } ::sumAvg: 3.32 atom: 96 22V-QG G 1.057 ambi=2 { QCG:20.355 } atom: 110 24G-H N 7.22 ambi=1 { N:105.293 } ::sumAvg: 4.44 atom: 96 22V-QG G 1.057 ambi=2 { QCG:20.355 } atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } ::sumAvg: 4.7 atom: 96 22V-QG G 1.057 ambi=2 { QCG:20.355 } atom: 2805 117T-HB B 4.23 ambi=1 { CB:70.01 } ::sumAvg: 4.56 atom: 2805 117T-HB B 4.23 ambi=1 { CB:70.01 } atom: 96 22V-QG G 1.057 ambi=2 { QCG:20.355 } ::sumAvg: 4.56 atom: 821 119F-HA A 4.655 ambi=1 { CA:57.52 } atom: 96 22V-QG G 1.057 ambi=2 { QCG:20.355 } ::sumAvg: 4.74 atom: 96 22V-QG G 1.057 ambi=2 { QCG:20.355 } atom: 827 120K-H N 8.346 ambi=1 { N:124.095 } ::sumAvg: 4.785 atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 103 23D-H N 7.482 ambi=1 { N:118.547 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 103 23D-H N 7.482 ambi=1 { N:118.547 } ::sumAvg: 4.545 atom: 104 23D-HA A 4.711 ambi=1 { CA:53.92 } atom: 110 24G-H N 7.22 ambi=1 { N:105.293 } ::sumAvg: 3.505 atom: 104 23D-HA A 4.711 ambi=1 { CA:53.92 } atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } :: atom: 104 23D-HA A 4.711 ambi=1 { CA:53.92 } atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } ::sumAvg: 4.515 atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 104 23D-HA A 4.711 ambi=1 { CA:53.92 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 104 23D-HA A 4.711 ambi=1 { CA:53.92 } ::sumAvg: 4.515 atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } ::sumAvg: 4.54 atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } ::sumAvg: 4.54 atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } atom: 115 25K-H N 8.757 ambi=1 { N:111.753 } ::sumAvg: 3.47 atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } ::sumAvg: 3.915 atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } ::sumAvg: 3.915 atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } atom: 2118 25K-HG2 G 1.33 ambi=2 { CG:25.37 } :: atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } atom: 2119 25K-HG3 G 1.194 ambi=2 { CG:25.37 } ::sumAvg: 3.665 atom: 2118 25K-HG2 G 1.33 ambi=2 { CG:25.37 } atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } :: atom: 2119 25K-HG3 G 1.194 ambi=2 { CG:25.37 } atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } ::sumAvg: 3.665 atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } ::sumAvg: 3.305 atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } atom: 105 23D-QB B 2.812 ambi=2 { CB:40.1 } ::sumAvg: 3.305 atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } atom: 110 24G-H N 7.22 ambi=1 { N:105.293 } ::sumAvg: 4.695 atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } atom: 110 24G-H N 7.22 ambi=1 { N:105.293 } ::sumAvg: 4.03 atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } atom: 110 24G-H N 7.22 ambi=1 { N:105.293 } ::sumAvg: 4.195 atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } ::sumAvg: 4.475 atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } :: atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } ::sumAvg: 4.475 atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } ::sumAvg: 4.985 atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } :: atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } ::sumAvg: 4.985 atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } ::sumAvg: 4.37 atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 599 94W-H N 7.857 ambi=1 { N:120.449 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 599 94W-H N 7.857 ambi=1 { N:120.449 } ::sumAvg: 3.92 atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } ::sumAvg: 3.74 atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } ::sumAvg: 3.935 atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 606 95G-H N 7.795 ambi=1 { N:109.481 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 606 95G-H N 7.795 ambi=1 { N:109.481 } ::sumAvg: 3.92 atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 607 95G-HA2 A 3.953 ambi=2 { CA:45.487 } :: atom: 111 24G-HA2 A 2.95 ambi=2 { CA:45.04 } atom: 608 95G-HA3 A 3.763 ambi=2 { CA:45.487 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 607 95G-HA2 A 3.953 ambi=2 { CA:45.487 } :: atom: 112 24G-HA3 A 2.407 ambi=2 { CA:45.04 } atom: 608 95G-HA3 A 3.763 ambi=2 { CA:45.487 } ::sumAvg: 4.305 atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } atom: 115 25K-H N 8.757 ambi=1 { N:111.753 } ::sumAvg: 3.49 atom: 2122 25K-QE E 3.019 ambi=2 { CE:41.92 } atom: 115 25K-H N 8.757 ambi=1 { N:111.753 } ::sumAvg: 4.985 atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } atom: 2122 25K-QE E 3.019 ambi=2 { CE:41.92 } ::sumAvg: 4.525 atom: 2122 25K-QE E 3.019 ambi=2 { CE:41.92 } atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } ::sumAvg: 4.525 atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } ::sumAvg: 4.555 atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } ::sumAvg: 4.555 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } :: atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } ::sumAvg: 4.815 atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 4.565 atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } ::sumAvg: 4.75 atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } ::sumAvg: 4.495 atom: 116 25K-HA A 3.964 ambi=1 { CA:56.59 } atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } ::sumAvg: 4.19 atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } ::sumAvg: 4.25 atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } ::sumAvg: 4.25 atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } ::sumAvg: 3.445 atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } ::sumAvg: 4.745 atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } ::sumAvg: 4.745 atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } atom: 915 72W-HZ3 Z3 7.075 ambi=1 { CZ3:121.3 } ::sumAvg: 3.66 atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } ::sumAvg: 3.925 atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } ::sumAvg: 4.57 atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } ::sumAvg: 4.55 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } ::sumAvg: 4.55 atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } ::sumAvg: 4.865 atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 117 25K-QB B 2.105 ambi=2 { CB:33.66 } ::sumAvg: 4.865 atom: 2118 25K-HG2 G 1.33 ambi=2 { CG:25.37 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } :: atom: 2119 25K-HG3 G 1.194 ambi=2 { CG:25.37 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } ::sumAvg: 4.595 atom: 2118 25K-HG2 G 1.33 ambi=2 { CG:25.37 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } :: atom: 2119 25K-HG3 G 1.194 ambi=2 { CG:25.37 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 4.64 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 2119 25K-HG3 G 1.194 ambi=2 { CG:25.37 } ::sumAvg: 4.945 atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } atom: 2118 25K-HG2 G 1.33 ambi=2 { CG:25.37 } :: atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } atom: 2118 25K-HG2 G 1.33 ambi=2 { CG:25.37 } :: atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } atom: 2119 25K-HG3 G 1.194 ambi=2 { CG:25.37 } :: atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } atom: 2119 25K-HG3 G 1.194 ambi=2 { CG:25.37 } ::sumAvg: 4.765 atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } ::sumAvg: 4.975 atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 4.03 atom: 2120 25K-QD D 1.772 ambi=2 { CD:29.16 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } ::sumAvg: 4.105 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } :: atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } ::sumAvg: 3.31 atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } ::sumAvg: 4.955 atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } :: atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 121 26F-H N 6.38 ambi=1 { N:110.097 } ::sumAvg: 4.735 atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 3.74 atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 4.505 atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } ::sumAvg: 4.505 atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } ::sumAvg: 4.71 atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } ::sumAvg: 4.71 atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } :: atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } ::sumAvg: 3.55 atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } :: atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } ::sumAvg: 3.55 atom: 134 27I-HD1 D1 0.887 ambi=1 { CD1:14.86 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } ::sumAvg: 4.89 atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } ::sumAvg: 4.595 atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } ::sumAvg: 4.595 atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.43 atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } ::sumAvg: 4.965 atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 4.91 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } ::sumAvg: 4.91 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } ::sumAvg: 4.085 atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } ::sumAvg: 3.97 atom: 122 26F-HA A 5.753 ambi=1 { CA:56.37 } atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } ::sumAvg: 4.635 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } :: atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } ::sumAvg: 4.4 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } :: atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 4.41 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } :: atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } ::sumAvg: 4.905 atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } :: atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } ::sumAvg: 4.905 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } :: atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } ::sumAvg: 4.93 atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } :: atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } ::sumAvg: 4.93 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } :: atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } ::sumAvg: 4.34 atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } :: atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } ::sumAvg: 4.34 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } :: atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } ::sumAvg: 4.715 atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } :: atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } ::sumAvg: 4.715 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } :: atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } ::sumAvg: 3.795 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } ::sumAvg: 4.88 atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } ::sumAvg: 4.88 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } :: atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } ::sumAvg: 4.82 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } :: atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 4.22 atom: 123 26F-HB2 B 2.23 ambi=2 { CB:40.03 } atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } :: atom: 124 26F-HB3 B 1.865 ambi=2 { CB:40.03 } atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } ::sumAvg: 4.21 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 4.99 atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 4.305 atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } :: atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 2.865 atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 4.77 atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 4.28 atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } atom: 988 26F-QD D 6.51 ambi=3 { CD1:132.9 } ::sumAvg: 4.63 atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } ::sumAvg: 4.925 atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } :: atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } ::sumAvg: 3.3 atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } atom: 992 26F-QE E 6.911 ambi=3 { CE1:130 } ::sumAvg: 3.96 atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } :: atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } ::sumAvg: 2.82 atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } ::sumAvg: 4.655 atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } ::sumAvg: 4.5 atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } ::sumAvg: 4.54 atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } :: atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } ::sumAvg: 4.5 atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } ::sumAvg: 3.86 atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } atom: 128 27I-H N 8.601 ambi=1 { N:119.676 } ::sumAvg: 3.74 atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } ::sumAvg: 4.465 atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 4.465 atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } :: atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 4.475 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 4.6 atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.545 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 4.545 atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } ::sumAvg: 4.795 atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } ::sumAvg: 4.73 atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } atom: 129 27I-HA A 4.506 ambi=1 { CA:60.905 } ::sumAvg: 4.73 atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } ::sumAvg: 4.065 atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } ::sumAvg: 4.715 atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } :: atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } ::sumAvg: 3.27 atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.975 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } ::sumAvg: 4.975 atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } ::sumAvg: 3.68 atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } :: atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } ::sumAvg: 3.67 atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } :: atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } ::sumAvg: 3.67 atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 3.505 atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } ::sumAvg: 3.505 atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } ::sumAvg: 4.8 atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } ::sumAvg: 4.8 atom: 130 27I-HB B 1.422 ambi=1 { CB:43.249 } atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } ::sumAvg: 4.99 atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } ::sumAvg: 2.395 atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } :: atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } ::sumAvg: 4.565 atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } ::sumAvg: 4.79 atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } ::sumAvg: 3.93 atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } ::sumAvg: 3.93 atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } :: atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.27 atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } :: atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } ::sumAvg: 4.27 atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } :: atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } ::sumAvg: 2.82 atom: 131 27I-HG12 G1 1.155 ambi=2 { CG1:29.33 } atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } :: atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } :: atom: 132 27I-HG13 G1 2.07 ambi=2 { CG1:29.33 } atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } ::sumAvg: 4.99 atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } ::sumAvg: 3.78 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } :: atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } ::sumAvg: 4.68 atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } :: atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } ::sumAvg: 4.68 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } ::sumAvg: 4.145 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } ::sumAvg: 4.38 atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } ::sumAvg: 4.38 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 2148 29L-HG G 1.57 ambi=1 { CG:28.39 } ::sumAvg: 3.655 atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } :: atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } ::sumAvg: 4.925 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } ::sumAvg: 4.265 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } ::sumAvg: 3.725 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.44 atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } ::sumAvg: 4.125 atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } atom: 133 27I-HG2 G2 0.962 ambi=1 { CG2:18.427 } ::sumAvg: 4.125 atom: 134 27I-HD1 D1 0.887 ambi=1 { CD1:14.86 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } ::sumAvg: 4.245 atom: 134 27I-HD1 D1 0.887 ambi=1 { CD1:14.86 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 3.295 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 134 27I-HD1 D1 0.887 ambi=1 { CD1:14.86 } ::sumAvg: 3.295 atom: 134 27I-HD1 D1 0.887 ambi=1 { CD1:14.86 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 3.54 atom: 134 27I-HD1 D1 0.887 ambi=1 { CD1:14.86 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } ::sumAvg: 3.905 atom: 134 27I-HD1 D1 0.887 ambi=1 { CD1:14.86 } atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } ::sumAvg: 4.05 atom: 134 27I-HD1 D1 0.887 ambi=1 { CD1:14.86 } atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } ::sumAvg: 4.865 atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } ::sumAvg: 4.865 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } ::sumAvg: 3.7 atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } ::sumAvg: 4.805 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 141 28R-H N 9.29 ambi=1 { N:127.516 } ::sumAvg: 4.355 atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } ::sumAvg: 4.06 atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } ::sumAvg: 4.06 atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } :: atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } ::sumAvg: 4.565 atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } ::sumAvg: 4.985 atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } ::sumAvg: 4.985 atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } ::sumAvg: 4.86 atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } ::sumAvg: 4.86 atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.225 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } ::sumAvg: 4.225 atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } atom: 431 70T-H N 8.66 ambi=1 { N:125.533 } ::sumAvg: 4.795 atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 3.185 atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } :: atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } ::sumAvg: 4.21 atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } :: atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } atom: 142 28R-HA A 5.561 ambi=1 { CA:54.65 } ::sumAvg: 4.21 atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } :: atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } ::sumAvg: 4.31 atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } :: atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } ::sumAvg: 4.99 atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } :: atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } ::sumAvg: 3.665 atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } :: atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } ::sumAvg: 3.665 atom: 143 28R-HB2 B 1.8 ambi=2 { CB:34.18 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } :: atom: 144 28R-HB3 B 1.615 ambi=2 { CB:34.18 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 3.005 atom: 2144 28R-HG2 G 1.4 ambi=2 { CG:28.379 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } :: atom: 2145 28R-HG3 G 1.6 ambi=2 { CG:28.379 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } ::sumAvg: 3.24 atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 2144 28R-HG2 G 1.4 ambi=2 { CG:28.379 } :: atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 2145 28R-HG3 G 1.6 ambi=2 { CG:28.379 } ::sumAvg: 3.24 atom: 2144 28R-HG2 G 1.4 ambi=2 { CG:28.379 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } :: atom: 2145 28R-HG3 G 1.6 ambi=2 { CG:28.379 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } ::sumAvg: 4.57 atom: 2144 28R-HG2 G 1.4 ambi=2 { CG:28.379 } atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } :: atom: 2145 28R-HG3 G 1.6 ambi=2 { CG:28.379 } atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } ::sumAvg: 2.82 atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } atom: 2144 28R-HG2 G 1.4 ambi=2 { CG:28.379 } :: atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } atom: 2145 28R-HG3 G 1.6 ambi=2 { CG:28.379 } ::sumAvg: 2.82 atom: 2144 28R-HG2 G 1.4 ambi=2 { CG:28.379 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } :: atom: 2145 28R-HG3 G 1.6 ambi=2 { CG:28.379 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 3.895 atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } ::sumAvg: 4.99 atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } ::sumAvg: 4.87 atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } ::sumAvg: 4.87 atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } ::sumAvg: 3.17 atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.275 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 2146 28R-QD D 3.034 ambi=2 { CD:43.192 } ::sumAvg: 4.275 atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } ::sumAvg: 3.255 atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } ::sumAvg: 4.535 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } ::sumAvg: 2.9 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } ::sumAvg: 4.81 atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } :: atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } ::sumAvg: 3.91 atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 150 29L-H N 9.502 ambi=1 { N:126.696 } ::sumAvg: 4.785 atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } :: atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } ::sumAvg: 4.225 atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.265 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } ::sumAvg: 4.265 atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 4.66 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 151 29L-HA A 5.306 ambi=1 { CA:54.01 } ::sumAvg: 4.66 atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } :: atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } ::sumAvg: 4.41 atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } :: atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } ::sumAvg: 4.41 atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } :: atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 4.685 atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } :: atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } ::sumAvg: 4.965 atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } atom: 422 69V-H N 8.78 ambi=1 { N:120.958 } :: atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } atom: 422 69V-H N 8.78 ambi=1 { N:120.958 } ::sumAvg: 3.55 atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } atom: 424 69V-HB B 2.345 ambi=1 { CB:33.6 } :: atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } atom: 424 69V-HB B 2.345 ambi=1 { CB:33.6 } ::sumAvg: 4.855 atom: 424 69V-HB B 2.345 ambi=1 { CB:33.6 } atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } :: atom: 424 69V-HB B 2.345 ambi=1 { CB:33.6 } atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } ::sumAvg: 4.855 atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } :: atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } :: atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } :: atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } ::sumAvg: 4.385 atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 152 29L-HB2 B 1.437 ambi=2 { CB:44.02 } :: atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } ::sumAvg: 4.565 atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 3.885 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 153 29L-HB3 B 1.629 ambi=2 { CB:44.02 } ::sumAvg: 3.885 atom: 2148 29L-HG G 1.57 ambi=1 { CG:28.39 } atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } :: atom: 2148 29L-HG G 1.57 ambi=1 { CG:28.39 } atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } ::sumAvg: 4.945 atom: 2148 29L-HG G 1.57 ambi=1 { CG:28.39 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 3.165 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 251 44M-HB2 B 1.817 ambi=2 { CB:37.49 } :: atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 252 44M-HB3 B 2.226 ambi=2 { CB:37.49 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 251 44M-HB2 B 1.817 ambi=2 { CB:37.49 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 252 44M-HB3 B 2.226 ambi=2 { CB:37.49 } ::sumAvg: 4.1 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } ::sumAvg: 3.905 atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } :: atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } ::sumAvg: 3.905 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } :: atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } ::sumAvg: 4.55 atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } :: atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } :: atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } :: atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } ::sumAvg: 4.55 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 3.24 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } ::sumAvg: 4.735 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 422 69V-H N 8.78 ambi=1 { N:120.958 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 422 69V-H N 8.78 ambi=1 { N:120.958 } ::sumAvg: 4.85 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.81 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } :: atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } ::sumAvg: 4.81 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } ::sumAvg: 3.425 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } ::sumAvg: 4.895 atom: 2149 29L-HD1 D1 0.758 ambi=2 { CD1:26.6 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } :: atom: 2150 29L-HD2 D2 0.811 ambi=2 { CD2:26.07 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.095 atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } :: atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } ::sumAvg: 4.56 atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } ::sumAvg: 4.85 atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } ::sumAvg: 4.68 atom: 7418 68T-HG2 G2 1.13 ambi=1 { CG2:20.69 } atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } ::sumAvg: 4.71 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 157 30K-H N 8.641 ambi=1 { N:118.761 } ::sumAvg: 4.84 atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } ::sumAvg: 4.49 atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } ::sumAvg: 4.49 atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } ::sumAvg: 4.11 atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } :: atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } ::sumAvg: 4.555 atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } :: atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } ::sumAvg: 4.555 atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 4.04 atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } ::sumAvg: 4.04 atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } ::sumAvg: 4.695 atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } ::sumAvg: 3.915 atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } ::sumAvg: 3.915 atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } atom: 422 69V-H N 8.78 ambi=1 { N:120.958 } ::sumAvg: 3.455 atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 3.995 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 158 30K-HA A 5.108 ambi=1 { CA:54.66 } ::sumAvg: 3.995 atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } ::sumAvg: 4.285 atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } :: atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } ::sumAvg: 3.685 atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } :: atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } ::sumAvg: 3.98 atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } atom: 159 30K-HB2 B 1.493 ambi=2 { CB:38.07 } :: atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } atom: 160 30K-HB3 B 1.63 ambi=2 { CB:38.07 } ::sumAvg: 3.98 atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } :: atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } ::sumAvg: 4.22 atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } :: atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } :: atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } :: atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } ::sumAvg: 4.935 atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } :: atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } ::sumAvg: 4.01 atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } atom: 1172 32T-HB B 4.591 ambi=1 { CB:68.11 } :: atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } atom: 1172 32T-HB B 4.591 ambi=1 { CB:68.11 } ::sumAvg: 4.655 atom: 1172 32T-HB B 4.591 ambi=1 { CB:68.11 } atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } :: atom: 1172 32T-HB B 4.591 ambi=1 { CB:68.11 } atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } ::sumAvg: 4.655 atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } :: atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } ::sumAvg: 3.83 atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } :: atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } ::sumAvg: 3.83 atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } atom: 407 67Q-H N 8.136 ambi=1 { N:118.759 } :: atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } atom: 407 67Q-H N 8.136 ambi=1 { N:118.759 } ::sumAvg: 4.865 atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } :: atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } ::sumAvg: 4.7 atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } :: atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } ::sumAvg: 3.565 atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } :: atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } ::sumAvg: 4.53 atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } atom: 2160 30K-HG2 G 0.81 ambi=2 { CG:25.2 } :: atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } atom: 2161 30K-HG3 G 0.998 ambi=2 { CG:25.2 } ::sumAvg: 4.53 atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } ::sumAvg: 4.985 atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } ::sumAvg: 4.955 atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } ::sumAvg: 4.955 atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } ::sumAvg: 4.33 atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } ::sumAvg: 4.29 atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } ::sumAvg: 4.29 atom: 7418 68T-HG2 G2 1.13 ambi=1 { CG2:20.69 } atom: 2162 30K-QE E 2.698 ambi=2 { CE:41.81 } ::sumAvg: 3.02 atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } ::sumAvg: 4.855 atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } ::sumAvg: 4.825 atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } ::sumAvg: 4.825 atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } atom: 1172 32T-HB B 4.591 ambi=1 { CB:68.11 } ::sumAvg: 4.37 atom: 1172 32T-HB B 4.591 ambi=1 { CB:68.11 } atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } ::sumAvg: 4.37 atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } ::sumAvg: 4.37 atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 2164 30K-QD D 1.357 ambi=2 { CD:29.15 } ::sumAvg: 4.37 atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } ::sumAvg: 4.675 atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } :: atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } ::sumAvg: 4.59 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 164 31N-H N 8.397 ambi=1 { N:123.996 } ::sumAvg: 4.27 atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 4.27 atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } ::sumAvg: 4.45 atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } ::sumAvg: 4.45 atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } ::sumAvg: 3.86 atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } ::sumAvg: 3.86 atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 4.21 atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } atom: 165 31N-HA A 5.319 ambi=1 { CA:50.69 } ::sumAvg: 4.21 atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } :: atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } ::sumAvg: 4.72 atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } :: atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } :: atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } :: atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } ::sumAvg: 3.16 atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } :: atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } ::sumAvg: 3.375 atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } :: atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } ::sumAvg: 3.375 atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } ::sumAvg: 3.92 atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } :: atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } ::sumAvg: 4.355 atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } :: atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } ::sumAvg: 4.355 atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } :: atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } ::sumAvg: 3.81 atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } :: atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } ::sumAvg: 3.81 atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } :: atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.53 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 166 31N-HB2 B 3.426 ambi=2 { CB:37.49 } :: atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 167 31N-HB3 B 2.269 ambi=2 { CB:37.49 } ::sumAvg: 4.53 atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } :: atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 3.48 atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } :: atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 3.2 atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } :: atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 3.53 atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 4.49 atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 4.365 atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 3.975 atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 999 31N-HD21 D2 6.611 ambi=2 { ND2:111.1 } :: atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 1000 31N-HD22 D2 8.038 ambi=2 { ND2:111.1 } ::sumAvg: 4.99 atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } atom: 171 32T-H N 8.455 ambi=1 { N:115.755 } :: atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } atom: 171 32T-H N 8.455 ambi=1 { N:115.755 } ::sumAvg: 4.515 atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } ::sumAvg: 4.605 atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } ::sumAvg: 4.605 atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } ::sumAvg: 4.865 atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } ::sumAvg: 4.865 atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } ::sumAvg: 4.965 atom: 172 32T-HA A 4.302 ambi=1 { CA:61.492 } atom: 402 66G-H N 7.505 ambi=1 { N:112.913 } ::sumAvg: 3.56 atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } ::sumAvg: 4.55 atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } ::sumAvg: 4.55 atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } ::sumAvg: 4.78 atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 2172 32T-HG2 G2 1.156 ambi=1 { CG2:22.15 } ::sumAvg: 4.78 atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } ::sumAvg: 2.865 atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } ::sumAvg: 4.14 atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } ::sumAvg: 4.08 atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 176 33S-H N 8.487 ambi=1 { N:120.037 } ::sumAvg: 4.97 atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } :: atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } ::sumAvg: 2.445 atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 183 34E-H N 8.355 ambi=1 { N:116.545 } ::sumAvg: 2.415 atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 184 34E-HA A 4.335 ambi=1 { CA:55.84 } ::sumAvg: 4.38 atom: 184 34E-HA A 4.335 ambi=1 { CA:55.84 } atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } ::sumAvg: 4.38 atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 185 34E-HB2 B 1.878 ambi=2 { CB:28.93 } :: atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 186 34E-HB3 B 2.324 ambi=2 { CB:28.93 } ::sumAvg: 4.825 atom: 185 34E-HB2 B 1.878 ambi=2 { CB:28.93 } atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } :: atom: 186 34E-HB3 B 2.324 ambi=2 { CB:28.93 } atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } ::sumAvg: 4.825 atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 187 34E-HG2 G 2.393 ambi=2 { CG:35.669 } :: atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 188 34E-HG3 G 2.296 ambi=2 { CG:35.669 } ::sumAvg: 3.66 atom: 187 34E-HG2 G 2.393 ambi=2 { CG:35.669 } atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } :: atom: 188 34E-HG3 G 2.296 ambi=2 { CG:35.669 } atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } ::sumAvg: 3.66 atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 193 35Q-H N 8.634 ambi=1 { N:120.013 } ::sumAvg: 4.255 atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } ::sumAvg: 4.97 atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } atom: 177 33S-HA A 4.793 ambi=1 { CA:57.5 } ::sumAvg: 4.97 atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } atom: 195 35Q-HB2 B 1.88 ambi=2 { CB:31.696 } :: atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } atom: 196 35Q-HB3 B 1.963 ambi=2 { CB:31.696 } :: atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } atom: 195 35Q-HB2 B 1.88 ambi=2 { CB:31.696 } :: atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } atom: 196 35Q-HB3 B 1.963 ambi=2 { CB:31.696 } ::sumAvg: 4.52 atom: 195 35Q-HB2 B 1.88 ambi=2 { CB:31.696 } atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } :: atom: 196 35Q-HB3 B 1.963 ambi=2 { CB:31.696 } atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } :: atom: 195 35Q-HB2 B 1.88 ambi=2 { CB:31.696 } atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } :: atom: 196 35Q-HB3 B 1.963 ambi=2 { CB:31.696 } atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } ::sumAvg: 4.52 atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } :: atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } :: atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } :: atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } ::sumAvg: 3.505 atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } :: atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } :: atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } :: atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } ::sumAvg: 3.505 atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } atom: 9199 37Q-HE21 E2 7.583 ambi=2 { NE2:118.1 } :: atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } atom: 9200 37Q-HE22 E2 7.989 ambi=2 { NE2:118.1 } :: atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } atom: 9199 37Q-HE21 E2 7.583 ambi=2 { NE2:118.1 } :: atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } atom: 9200 37Q-HE22 E2 7.989 ambi=2 { NE2:118.1 } ::sumAvg: 4.915 atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } :: atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } ::sumAvg: 4.115 atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } :: atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } ::sumAvg: 4.115 atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } :: atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } ::sumAvg: 4.2 atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } atom: 178 33S-HB2 B 4.196 ambi=2 { CB:66.51 } :: atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } atom: 179 33S-HB3 B 3.96 ambi=2 { CB:66.51 } ::sumAvg: 4.2 atom: 195 35Q-HB2 B 1.88 ambi=2 { CB:31.696 } atom: 183 34E-H N 8.355 ambi=1 { N:116.545 } :: atom: 196 35Q-HB3 B 1.963 ambi=2 { CB:31.696 } atom: 183 34E-H N 8.355 ambi=1 { N:116.545 } ::sumAvg: 4.615 atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } atom: 183 34E-H N 8.355 ambi=1 { N:116.545 } ::sumAvg: 4.53 atom: 185 34E-HB2 B 1.878 ambi=2 { CB:28.93 } atom: 193 35Q-H N 8.634 ambi=1 { N:120.013 } :: atom: 186 34E-HB3 B 2.324 ambi=2 { CB:28.93 } atom: 193 35Q-H N 8.634 ambi=1 { N:120.013 } ::sumAvg: 3.555 atom: 185 34E-HB2 B 1.878 ambi=2 { CB:28.93 } atom: 194 35Q-HA A 4.664 ambi=1 { CA:53.74 } :: atom: 186 34E-HB3 B 2.324 ambi=2 { CB:28.93 } atom: 194 35Q-HA A 4.664 ambi=1 { CA:53.74 } ::sumAvg: 4.735 atom: 185 34E-HB2 B 1.878 ambi=2 { CB:28.93 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } :: atom: 186 34E-HB3 B 2.324 ambi=2 { CB:28.93 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } ::sumAvg: 4.445 atom: 187 34E-HG2 G 2.393 ambi=2 { CG:35.669 } atom: 193 35Q-H N 8.634 ambi=1 { N:120.013 } :: atom: 188 34E-HG3 G 2.296 ambi=2 { CG:35.669 } atom: 193 35Q-H N 8.634 ambi=1 { N:120.013 } ::sumAvg: 4.59 atom: 187 34E-HG2 G 2.393 ambi=2 { CG:35.669 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } :: atom: 188 34E-HG3 G 2.296 ambi=2 { CG:35.669 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } ::sumAvg: 4.82 atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } atom: 193 35Q-H N 8.634 ambi=1 { N:120.013 } :: atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } atom: 193 35Q-H N 8.634 ambi=1 { N:120.013 } ::sumAvg: 4.47 atom: 194 35Q-HA A 4.664 ambi=1 { CA:53.74 } atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } ::sumAvg: 4.36 atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 194 35Q-HA A 4.664 ambi=1 { CA:53.74 } ::sumAvg: 4.36 atom: 194 35Q-HA A 4.664 ambi=1 { CA:53.74 } atom: 208 36D-HB2 B 2.08 ambi=2 { CB:40.12 } :: atom: 194 35Q-HA A 4.664 ambi=1 { CA:53.74 } atom: 209 36D-HB3 B 2.49 ambi=2 { CB:40.12 } ::sumAvg: 4.93 atom: 208 36D-HB2 B 2.08 ambi=2 { CB:40.12 } atom: 194 35Q-HA A 4.664 ambi=1 { CA:53.74 } :: atom: 209 36D-HB3 B 2.49 ambi=2 { CB:40.12 } atom: 194 35Q-HA A 4.664 ambi=1 { CA:53.74 } ::sumAvg: 4.93 atom: 195 35Q-HB2 B 1.88 ambi=2 { CB:31.696 } atom: 199 35Q-HE21 E2 7.518 ambi=2 { NE2:112.3 } :: atom: 195 35Q-HB2 B 1.88 ambi=2 { CB:31.696 } atom: 200 35Q-HE22 E2 6.838 ambi=2 { NE2:112.3 } :: atom: 196 35Q-HB3 B 1.963 ambi=2 { CB:31.696 } atom: 199 35Q-HE21 E2 7.518 ambi=2 { NE2:112.3 } :: atom: 196 35Q-HB3 B 1.963 ambi=2 { CB:31.696 } atom: 200 35Q-HE22 E2 6.838 ambi=2 { NE2:112.3 } ::sumAvg: 3.42 atom: 195 35Q-HB2 B 1.88 ambi=2 { CB:31.696 } atom: 9199 37Q-HE21 E2 7.583 ambi=2 { NE2:118.1 } :: atom: 195 35Q-HB2 B 1.88 ambi=2 { CB:31.696 } atom: 9200 37Q-HE22 E2 7.989 ambi=2 { NE2:118.1 } :: atom: 196 35Q-HB3 B 1.963 ambi=2 { CB:31.696 } atom: 9199 37Q-HE21 E2 7.583 ambi=2 { NE2:118.1 } :: atom: 196 35Q-HB3 B 1.963 ambi=2 { CB:31.696 } atom: 9200 37Q-HE22 E2 7.989 ambi=2 { NE2:118.1 } ::sumAvg: 4.345 atom: 197 35Q-HG2 G 2.325 ambi=2 { CG:33.807 } atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } :: atom: 198 35Q-HG3 G 2.253 ambi=2 { CG:33.807 } atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } ::sumAvg: 4.37 atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 197 35Q-HG2 G 2.325 ambi=2 { CG:33.807 } :: atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 198 35Q-HG3 G 2.253 ambi=2 { CG:33.807 } ::sumAvg: 4.37 atom: 197 35Q-HG2 G 2.325 ambi=2 { CG:33.807 } atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } :: atom: 198 35Q-HG3 G 2.253 ambi=2 { CG:33.807 } atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } ::sumAvg: 4.9 atom: 197 35Q-HG2 G 2.325 ambi=2 { CG:33.807 } atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } :: atom: 198 35Q-HG3 G 2.253 ambi=2 { CG:33.807 } atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } ::sumAvg: 4.79 atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 197 35Q-HG2 G 2.325 ambi=2 { CG:33.807 } :: atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 198 35Q-HG3 G 2.253 ambi=2 { CG:33.807 } ::sumAvg: 4.79 atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } atom: 206 36D-H N 8.859 ambi=1 { N:124.552 } ::sumAvg: 4.635 atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } :: atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } ::sumAvg: 3.91 atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } :: atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } ::sumAvg: 3.91 atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } ::sumAvg: 4.43 atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } :: atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } ::sumAvg: 4.595 atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } :: atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } ::sumAvg: 4.195 atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } ::sumAvg: 4.69 atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } :: atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } ::sumAvg: 4.62 atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } :: atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } ::sumAvg: 4.62 atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 7390 64K-HG2 G 1.456 ambi=2 { CG:25.887 } :: atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 7391 64K-HG3 G 1.148 ambi=2 { CG:25.887 } ::sumAvg: 4.425 atom: 7390 64K-HG2 G 1.456 ambi=2 { CG:25.887 } atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } :: atom: 7391 64K-HG3 G 1.148 ambi=2 { CG:25.887 } atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } ::sumAvg: 4.425 atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } ::sumAvg: 4.795 atom: 207 36D-HA A 4.05 ambi=1 { CA:54.64 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } ::sumAvg: 4.12 atom: 208 36D-HB2 B 2.08 ambi=2 { CB:40.12 } atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } :: atom: 209 36D-HB3 B 2.49 ambi=2 { CB:40.12 } atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } ::sumAvg: 4.78 atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 208 36D-HB2 B 2.08 ambi=2 { CB:40.12 } :: atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 209 36D-HB3 B 2.49 ambi=2 { CB:40.12 } ::sumAvg: 4.78 atom: 374 62V-HB B 1.589 ambi=1 { CB:35.27 } atom: 208 36D-HB2 B 2.08 ambi=2 { CB:40.12 } :: atom: 374 62V-HB B 1.589 ambi=1 { CB:35.27 } atom: 209 36D-HB3 B 2.49 ambi=2 { CB:40.12 } ::sumAvg: 3.495 atom: 208 36D-HB2 B 2.08 ambi=2 { CB:40.12 } atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } :: atom: 209 36D-HB3 B 2.49 ambi=2 { CB:40.12 } atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } ::sumAvg: 4.92 atom: 208 36D-HB2 B 2.08 ambi=2 { CB:40.12 } atom: 7390 64K-HG2 G 1.456 ambi=2 { CG:25.887 } :: atom: 208 36D-HB2 B 2.08 ambi=2 { CB:40.12 } atom: 7391 64K-HG3 G 1.148 ambi=2 { CG:25.887 } :: atom: 209 36D-HB3 B 2.49 ambi=2 { CB:40.12 } atom: 7390 64K-HG2 G 1.456 ambi=2 { CG:25.887 } :: atom: 209 36D-HB3 B 2.49 ambi=2 { CB:40.12 } atom: 7391 64K-HG3 G 1.148 ambi=2 { CG:25.887 } ::sumAvg: 4.01 atom: 7390 64K-HG2 G 1.456 ambi=2 { CG:25.887 } atom: 208 36D-HB2 B 2.08 ambi=2 { CB:40.12 } :: atom: 7391 64K-HG3 G 1.148 ambi=2 { CG:25.887 } atom: 208 36D-HB2 B 2.08 ambi=2 { CB:40.12 } :: atom: 7390 64K-HG2 G 1.456 ambi=2 { CG:25.887 } atom: 209 36D-HB3 B 2.49 ambi=2 { CB:40.12 } :: atom: 7391 64K-HG3 G 1.148 ambi=2 { CG:25.887 } atom: 209 36D-HB3 B 2.49 ambi=2 { CB:40.12 } ::sumAvg: 4.01 atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } :: atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } ::sumAvg: 2.86 atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } :: atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } ::sumAvg: 4.475 atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } ::sumAvg: 4.98 atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } :: atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } atom: 213 37Q-H N 8.141 ambi=1 { N:120.015 } ::sumAvg: 3.675 atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } :: atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } :: atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } :: atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } ::sumAvg: 4.825 atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } :: atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } :: atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } :: atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } ::sumAvg: 4.825 atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 214 37Q-HG2 G 1.32 ambi=2 { CG:34.04 } :: atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 215 37Q-HG3 G 1.845 ambi=2 { CG:34.04 } ::sumAvg: 3.05 atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } :: atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } ::sumAvg: 2.485 atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 9199 37Q-HE21 E2 7.583 ambi=2 { NE2:118.1 } :: atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 9200 37Q-HE22 E2 7.989 ambi=2 { NE2:118.1 } ::sumAvg: 3.23 atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } ::sumAvg: 4.505 atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } ::sumAvg: 4.505 atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 2510 38P-HG2 G 1.898 ambi=2 { CG:27.9 } :: atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 2511 38P-HG3 G 2.173 ambi=2 { CG:27.9 } ::sumAvg: 4.17 atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } ::sumAvg: 4.99 atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } :: atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } ::sumAvg: 4.31 atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } :: atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } atom: 1214 37Q-HA A 4.786 ambi=1 { CA:50.858 } ::sumAvg: 4.31 atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } atom: 9199 37Q-HE21 E2 7.583 ambi=2 { NE2:118.1 } :: atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } atom: 9200 37Q-HE22 E2 7.989 ambi=2 { NE2:118.1 } :: atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 9199 37Q-HE21 E2 7.583 ambi=2 { NE2:118.1 } :: atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 9200 37Q-HE22 E2 7.989 ambi=2 { NE2:118.1 } ::sumAvg: 2.865 atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } :: atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } :: atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } :: atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } ::sumAvg: 3.09 atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } :: atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } ::sumAvg: 4.485 atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } :: atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } ::sumAvg: 4.74 atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } :: atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } ::sumAvg: 4.74 atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } :: atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } ::sumAvg: 4.665 atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } ::sumAvg: 3.27 atom: 2214 37Q-HB2 B 1.618 ambi=2 { CB:31.86 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } :: atom: 2215 37Q-HB3 B 1.89 ambi=2 { CB:31.86 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 3.985 atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } :: atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } ::sumAvg: 3.725 atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } :: atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } ::sumAvg: 3.725 atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } ::sumAvg: 4.7 atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } ::sumAvg: 4.7 atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } :: atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } ::sumAvg: 4.485 atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } :: atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } ::sumAvg: 4.485 atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } atom: 374 62V-HB B 1.589 ambi=1 { CB:35.27 } ::sumAvg: 4.345 atom: 374 62V-HB B 1.589 ambi=1 { CB:35.27 } atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } ::sumAvg: 4.345 atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } ::sumAvg: 2.975 atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } :: atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } ::sumAvg: 4.155 atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } :: atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } ::sumAvg: 4.155 atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 4.78 atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } atom: 2507 38P-HA A 4.367 ambi=1 { CA:63.33 } ::sumAvg: 4.78 atom: 2508 38P-HB2 B 2.393 ambi=2 { CB:31.75 } atom: 227 40G-H N 7.94 ambi=1 { N:108.664 } :: atom: 2509 38P-HB3 B 2.047 ambi=2 { CB:31.75 } atom: 227 40G-H N 7.94 ambi=1 { N:108.664 } ::sumAvg: 3.62 atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } atom: 2508 38P-HB2 B 2.393 ambi=2 { CB:31.75 } :: atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } atom: 2508 38P-HB2 B 2.393 ambi=2 { CB:31.75 } :: atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } atom: 2509 38P-HB3 B 2.047 ambi=2 { CB:31.75 } :: atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } atom: 2509 38P-HB3 B 2.047 ambi=2 { CB:31.75 } ::sumAvg: 4.295 atom: 2508 38P-HB2 B 2.393 ambi=2 { CB:31.75 } atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } :: atom: 2509 38P-HB3 B 2.047 ambi=2 { CB:31.75 } atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } ::sumAvg: 4.005 atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } atom: 2508 38P-HB2 B 2.393 ambi=2 { CB:31.75 } :: atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } atom: 2509 38P-HB3 B 2.047 ambi=2 { CB:31.75 } ::sumAvg: 4.005 atom: 2508 38P-HB2 B 2.393 ambi=2 { CB:31.75 } atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } :: atom: 2509 38P-HB3 B 2.047 ambi=2 { CB:31.75 } atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } ::sumAvg: 4.65 atom: 2510 38P-HG2 G 1.898 ambi=2 { CG:27.9 } atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } :: atom: 2511 38P-HG3 G 2.173 ambi=2 { CG:27.9 } atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } ::sumAvg: 4.59 atom: 2510 38P-HG2 G 1.898 ambi=2 { CG:27.9 } atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } :: atom: 2510 38P-HG2 G 1.898 ambi=2 { CG:27.9 } atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } :: atom: 2511 38P-HG3 G 2.173 ambi=2 { CG:27.9 } atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } :: atom: 2511 38P-HG3 G 2.173 ambi=2 { CG:27.9 } atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } ::sumAvg: 3.69 atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } :: atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } ::sumAvg: 4.345 atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } :: atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } :: atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } :: atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } ::sumAvg: 3.76 atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } :: atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } atom: 2516 38P-HD2 D 3.634 ambi=2 { CD:51.4 } :: atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } :: atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } atom: 2517 38P-HD3 D 3.783 ambi=2 { CD:51.4 } ::sumAvg: 3.76 atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } ::sumAvg: 4.625 atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } :: atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } ::sumAvg: 4.255 atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } :: atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } atom: 220 39M-H N 8.392 ambi=1 { N:124.427 } ::sumAvg: 4.12 atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } :: atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } ::sumAvg: 4.62 atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } :: atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } ::sumAvg: 4.62 atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } ::sumAvg: 4.795 atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } :: atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } ::sumAvg: 4.265 atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } :: atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } ::sumAvg: 4.265 atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } atom: 221 39M-HA A 2.792 ambi=1 { CA:53.78 } ::sumAvg: 4.12 atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 227 40G-H N 7.94 ambi=1 { N:108.664 } :: atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 227 40G-H N 7.94 ambi=1 { N:108.664 } ::sumAvg: 3.13 atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } :: atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } :: atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } :: atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } ::sumAvg: 4.47 atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } :: atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } :: atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } :: atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } ::sumAvg: 4.47 atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } :: atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } ::sumAvg: 4.855 atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } :: atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } ::sumAvg: 4.335 atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } :: atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } ::sumAvg: 3.56 atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } :: atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } ::sumAvg: 3.56 atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 353 59S-HB2 B 3.99 ambi=2 { CB:63.21 } :: atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 354 59S-HB3 B 3.966 ambi=2 { CB:63.21 } :: atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 353 59S-HB2 B 3.99 ambi=2 { CB:63.21 } :: atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 354 59S-HB3 B 3.966 ambi=2 { CB:63.21 } ::sumAvg: 4.86 atom: 353 59S-HB2 B 3.99 ambi=2 { CB:63.21 } atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } :: atom: 354 59S-HB3 B 3.966 ambi=2 { CB:63.21 } atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } :: atom: 353 59S-HB2 B 3.99 ambi=2 { CB:63.21 } atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } :: atom: 354 59S-HB3 B 3.966 ambi=2 { CB:63.21 } atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } ::sumAvg: 4.86 atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 358 60R-H N 8.176 ambi=1 { N:118.244 } :: atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 358 60R-H N 8.176 ambi=1 { N:118.244 } ::sumAvg: 4.48 atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } :: atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } ::sumAvg: 4.9 atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } :: atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } ::sumAvg: 4.325 atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } :: atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } ::sumAvg: 4.345 atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } :: atom: 222 39M-HB2 B 0.857 ambi=2 { CB:34.41 } atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } ::sumAvg: 3.615 atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 3.7 atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } ::sumAvg: 3.7 atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.805 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 223 39M-HB3 B 1.54 ambi=2 { CB:34.41 } ::sumAvg: 4.805 atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 227 40G-H N 7.94 ambi=1 { N:108.664 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 227 40G-H N 7.94 ambi=1 { N:108.664 } ::sumAvg: 3.58 atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } :: atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } ::sumAvg: 4.53 atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } :: atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } ::sumAvg: 4.53 atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } ::sumAvg: 4.175 atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 237 42W-H N 8.667 ambi=1 { N:122.097 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 237 42W-H N 8.667 ambi=1 { N:122.097 } ::sumAvg: 4.385 atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } :: atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } ::sumAvg: 4.33 atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } :: atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } ::sumAvg: 4.33 atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } ::sumAvg: 4.76 atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } ::sumAvg: 4.76 atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } ::sumAvg: 2.725 atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } ::sumAvg: 3.81 atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 345 58T-H N 8.722 ambi=1 { N:116.096 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 345 58T-H N 8.722 ambi=1 { N:116.096 } ::sumAvg: 4.37 atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } ::sumAvg: 4.78 atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } ::sumAvg: 4.78 atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } ::sumAvg: 4.72 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } ::sumAvg: 4.885 atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } :: atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } ::sumAvg: 4.01 atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } atom: 2223 39M-HG2 G 1.663 ambi=2 { CG:29.57 } :: atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } atom: 2224 39M-HG3 G 0.4 ambi=2 { CG:29.57 } ::sumAvg: 4.01 atom: 353 59S-HB2 B 3.99 ambi=2 { CB:63.21 } atom: 227 40G-H N 7.94 ambi=1 { N:108.664 } :: atom: 354 59S-HB3 B 3.966 ambi=2 { CB:63.21 } atom: 227 40G-H N 7.94 ambi=1 { N:108.664 } ::sumAvg: 3.87 atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } atom: 237 42W-H N 8.667 ambi=1 { N:122.097 } :: atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } atom: 237 42W-H N 8.667 ambi=1 { N:122.097 } ::sumAvg: 4.705 atom: 228 40G-HA2 A 4.154 ambi=2 { CA:48.114 } atom: 928 42W-HD1 D1 7.075 ambi=1 { CD1:124.8 } :: atom: 229 40G-HA3 A 3.763 ambi=2 { CA:48.114 } atom: 928 42W-HD1 D1 7.075 ambi=1 { CD1:124.8 } ::sumAvg: 4.315 atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } ::sumAvg: 4.78 atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 232 41G-H N 7.959 ambi=1 { N:114.027 } ::sumAvg: 4.815 atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } atom: 928 42W-HD1 D1 7.075 ambi=1 { CD1:124.8 } :: atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } atom: 928 42W-HD1 D1 7.075 ambi=1 { CD1:124.8 } ::sumAvg: 4.475 atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } ::sumAvg: 4.54 atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } ::sumAvg: 4.54 atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } :: atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } :: atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } :: atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } ::sumAvg: 4.64 atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } :: atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } :: atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } :: atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } ::sumAvg: 4.64 atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } atom: 7333 56K-QE E 2.9 ambi=2 { CE:41.2 } :: atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } atom: 7333 56K-QE E 2.9 ambi=2 { CE:41.2 } ::sumAvg: 4.99 atom: 7333 56K-QE E 2.9 ambi=2 { CE:41.2 } atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } :: atom: 7333 56K-QE E 2.9 ambi=2 { CE:41.2 } atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } ::sumAvg: 4.99 atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } :: atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } ::sumAvg: 4.88 atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } :: atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } :: atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } :: atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } ::sumAvg: 4.045 atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 233 41G-HA2 A 4.323 ambi=2 { CA:46.02 } :: atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 234 41G-HA3 A 3.769 ambi=2 { CA:46.02 } ::sumAvg: 4.045 atom: 681 104L-HB2 B 1.983 ambi=2 { CB:46.2 } atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } :: atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } ::sumAvg: 3.845 atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } ::sumAvg: 4.635 atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } atom: 928 42W-HD1 D1 7.075 ambi=1 { CD1:124.8 } ::sumAvg: 4.455 atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } atom: 920 42W-HE3 E3 6.78 ambi=1 { CE3:121.3 } ::sumAvg: 4.055 atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } ::sumAvg: 4.485 atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } ::sumAvg: 4.485 atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } :: atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } ::sumAvg: 4.45 atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } :: atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } ::sumAvg: 4.45 atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } ::sumAvg: 4.95 atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } :: atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } ::sumAvg: 4.785 atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } ::sumAvg: 4.785 atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } ::sumAvg: 4.64 atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } :: atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } ::sumAvg: 4.665 atom: 930 42W-HA A 4.408 ambi=1 { CA:58.925 } atom: 711 107S-H N 6.988 ambi=1 { N:112.4 } ::sumAvg: 3.515 atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } :: atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } atom: 926 42W-HE1 E1 10.11 ambi=1 { NE1:129.2 } ::sumAvg: 4.945 atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } :: atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } ::sumAvg: 4.465 atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } :: atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } ::sumAvg: 4.465 atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } :: atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } ::sumAvg: 3.9 atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } ::sumAvg: 2.86 atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } :: atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 3.885 atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } atom: 681 104L-HB2 B 1.983 ambi=2 { CB:46.2 } :: atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } :: atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } atom: 681 104L-HB2 B 1.983 ambi=2 { CB:46.2 } :: atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } ::sumAvg: 4.59 atom: 681 104L-HB2 B 1.983 ambi=2 { CB:46.2 } atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } :: atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } :: atom: 681 104L-HB2 B 1.983 ambi=2 { CB:46.2 } atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } :: atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } ::sumAvg: 4.59 atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } :: atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 3.915 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } :: atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } ::sumAvg: 3.915 atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } atom: 690 105K-H N 9.674 ambi=1 { N:126.536 } :: atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } atom: 690 105K-H N 9.674 ambi=1 { N:126.536 } ::sumAvg: 4.48 atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } :: atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } ::sumAvg: 3.35 atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } atom: 931 42W-HB2 B 3.152 ambi=2 { CB:28.12 } :: atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } atom: 932 42W-HB3 B 3.37 ambi=2 { CB:28.12 } ::sumAvg: 3.35 atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 251 44M-HB2 B 1.817 ambi=2 { CB:37.49 } :: atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 252 44M-HB3 B 2.226 ambi=2 { CB:37.49 } ::sumAvg: 4.54 atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } :: atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } ::sumAvg: 4.875 atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } :: atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } ::sumAvg: 4.875 atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } ::sumAvg: 4.345 atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 331 56K-H N 7.551 ambi=1 { N:127.706 } ::sumAvg: 4.68 atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } ::sumAvg: 2.29 atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 333 56K-HB2 B 1.419 ambi=2 { CB:33.61 } :: atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 334 56K-HB3 B 1.574 ambi=2 { CB:33.61 } ::sumAvg: 4.13 atom: 333 56K-HB2 B 1.419 ambi=2 { CB:33.61 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } :: atom: 334 56K-HB3 B 1.574 ambi=2 { CB:33.61 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } ::sumAvg: 4.13 atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } :: atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } ::sumAvg: 3.83 atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } :: atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } ::sumAvg: 3.83 atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } ::sumAvg: 3.29 atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } :: atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } ::sumAvg: 4.975 atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } ::sumAvg: 4.975 atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 4.2 atom: 241 43E-HA A 5.462 ambi=1 { CA:54.41 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } ::sumAvg: 3.095 atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } atom: 1014 45I-HG13 G1 1.086 ambi=2 { CG1:27.956 } :: atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } atom: 1013 45I-HG12 G1 1.415 ambi=2 { CG1:27.956 } :: atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } atom: 1014 45I-HG13 G1 1.086 ambi=2 { CG1:27.956 } ::sumAvg: 4.665 atom: 1016 45I-HD1 D1 0.767 ambi=1 { CD1:14.087 } atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } :: atom: 1016 45I-HD1 D1 0.767 ambi=1 { CD1:14.087 } atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } ::sumAvg: 3.715 atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } :: atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } :: atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } :: atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } ::sumAvg: 4.93 atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } :: atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } :: atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } :: atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } ::sumAvg: 4.93 atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } :: atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } ::sumAvg: 3.62 atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } :: atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } ::sumAvg: 3.62 atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } atom: 333 56K-HB2 B 1.419 ambi=2 { CB:33.61 } ::sumAvg: 3.895 atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } :: atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } :: atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } :: atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } ::sumAvg: 3.505 atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } :: atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } ::sumAvg: 4.77 atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } ::sumAvg: 3.31 atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } ::sumAvg: 3.31 atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } atom: 712 107S-HA A 4.092 ambi=1 { CA:60.49 } :: atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } atom: 712 107S-HA A 4.092 ambi=1 { CA:60.49 } ::sumAvg: 4.85 atom: 712 107S-HA A 4.092 ambi=1 { CA:60.49 } atom: 242 43E-HB2 B 1.763 ambi=2 { CB:33.98 } :: atom: 712 107S-HA A 4.092 ambi=1 { CA:60.49 } atom: 243 43E-HB3 B 1.955 ambi=2 { CB:33.98 } ::sumAvg: 4.85 atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } :: atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } ::sumAvg: 4.565 atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } :: atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } ::sumAvg: 4.565 atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } :: atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } ::sumAvg: 4.2 atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } :: atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } ::sumAvg: 4.2 atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } :: atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } ::sumAvg: 3.555 atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } :: atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } ::sumAvg: 4.76 atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } :: atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } ::sumAvg: 4.76 atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } atom: 331 56K-H N 7.551 ambi=1 { N:127.706 } :: atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } atom: 331 56K-H N 7.551 ambi=1 { N:127.706 } ::sumAvg: 4.515 atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } :: atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } ::sumAvg: 3.485 atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } :: atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } ::sumAvg: 3.485 atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } :: atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } :: atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } :: atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } ::sumAvg: 4.305 atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } :: atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } :: atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } :: atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } ::sumAvg: 4.305 atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } :: atom: 692 105K-HB2 B 1.712 ambi=2 { CB:36.33 } atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } :: atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } ::sumAvg: 4.62 atom: 244 43E-HG2 G 2.036 ambi=2 { CG:35.905 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } :: atom: 245 43E-HG3 G 2.117 ambi=2 { CG:35.905 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } ::sumAvg: 4.49 atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } ::sumAvg: 4.865 atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } ::sumAvg: 4.815 atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } ::sumAvg: 4.825 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } ::sumAvg: 4.85 atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } ::sumAvg: 4.96 atom: 692 105K-HB2 B 1.712 ambi=2 { CB:36.33 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } :: atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } ::sumAvg: 3.94 atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } atom: 933 43E-H N 8.74 ambi=1 { N:120.3 } ::sumAvg: 3.625 atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 249 44M-H N 9.658 ambi=1 { N:126.477 } ::sumAvg: 4.79 atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } atom: 249 44M-H N 9.658 ambi=1 { N:126.477 } :: atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } atom: 249 44M-H N 9.658 ambi=1 { N:126.477 } ::sumAvg: 4.23 atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } atom: 249 44M-H N 9.658 ambi=1 { N:126.477 } ::sumAvg: 4.68 atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } atom: 249 44M-H N 9.658 ambi=1 { N:126.477 } :: atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } atom: 249 44M-H N 9.658 ambi=1 { N:126.477 } ::sumAvg: 3.685 atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 249 44M-H N 9.658 ambi=1 { N:126.477 } ::sumAvg: 3.445 atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } ::sumAvg: 4.125 atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } ::sumAvg: 4.125 atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } ::sumAvg: 4.435 atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } ::sumAvg: 4.435 atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } atom: 258 45I-HB B 1.732 ambi=1 { CB:40.804 } ::sumAvg: 4.715 atom: 258 45I-HB B 1.732 ambi=1 { CB:40.804 } atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } ::sumAvg: 4.715 atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } atom: 1016 45I-HD1 D1 0.767 ambi=1 { CD1:14.087 } ::sumAvg: 4.03 atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } ::sumAvg: 4.62 atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 3.655 atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } :: atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } ::sumAvg: 4.045 atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } ::sumAvg: 4.495 atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } ::sumAvg: 4.85 atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } ::sumAvg: 4.85 atom: 1672 103I-HG2 G2 0.9126 ambi=1 { CG2:18.25 } atom: 250 44M-HA A 5.488 ambi=1 { CA:53.36 } ::sumAvg: 4.805 atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } ::sumAvg: 4.7 atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } ::sumAvg: 4.7 atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } :: atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } ::sumAvg: 3.815 atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } :: atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } ::sumAvg: 3.815 atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } ::sumAvg: 4.285 atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } ::sumAvg: 4.285 atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } ::sumAvg: 4.21 atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } atom: 907 72W-HD1 D1 7.026 ambi=1 { CD1:126.7 } ::sumAvg: 3.665 atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } atom: 911 72W-HZ2 Z2 7.182 ambi=1 { CZ2:114.3 } ::sumAvg: 4.25 atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } :: atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } ::sumAvg: 2.855 atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } :: atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } ::sumAvg: 4.11 atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } :: atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } ::sumAvg: 4.11 atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } :: atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } ::sumAvg: 4.195 atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } :: atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } ::sumAvg: 4.395 atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } :: atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } ::sumAvg: 4.395 atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } :: atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } ::sumAvg: 3.41 atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } :: atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } ::sumAvg: 4.59 atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } :: atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } ::sumAvg: 4.59 atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } :: atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } ::sumAvg: 4.35 atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } :: atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } ::sumAvg: 4.28 atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } :: atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 4.105 atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } :: atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } ::sumAvg: 3.955 atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } atom: 3252 44M-HG2 G 2.059 ambi=2 { CG:32.26 } :: atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } atom: 3253 44M-HG3 G 2.205 ambi=2 { CG:32.26 } ::sumAvg: 3.765 atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } ::sumAvg: 3.93 atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.81 atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } ::sumAvg: 4.735 atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 3.41 atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } ::sumAvg: 4.745 atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.915 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 3256 44M-HE E 1.321 ambi=1 { CE:17.16 } ::sumAvg: 4.915 atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 256 45I-H N 9.658 ambi=1 { N:127.329 } ::sumAvg: 2.925 atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 256 45I-H N 9.658 ambi=1 { N:127.329 } ::sumAvg: 4.615 atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } atom: 256 45I-H N 9.658 ambi=1 { N:127.329 } :: atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } atom: 256 45I-H N 9.658 ambi=1 { N:127.329 } ::sumAvg: 3.89 atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } atom: 256 45I-H N 9.658 ambi=1 { N:127.329 } ::sumAvg: 4.87 atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 258 45I-HB B 1.732 ambi=1 { CB:40.804 } ::sumAvg: 3.025 atom: 258 45I-HB B 1.732 ambi=1 { CB:40.804 } atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } ::sumAvg: 3.025 atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } ::sumAvg: 2.295 atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } :: atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } ::sumAvg: 4.455 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } ::sumAvg: 4.7 atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 317 54S-H N 8.761 ambi=1 { N:118.025 } ::sumAvg: 4.715 atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } ::sumAvg: 2.32 atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } ::sumAvg: 3.79 atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } ::sumAvg: 4.705 atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } ::sumAvg: 4.635 atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } atom: 257 45I-HA A 4.781 ambi=1 { CA:60.413 } ::sumAvg: 4.635 atom: 258 45I-HB B 1.732 ambi=1 { CB:40.804 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } ::sumAvg: 4.03 atom: 258 45I-HB B 1.732 ambi=1 { CB:40.804 } atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } ::sumAvg: 4.78 atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } atom: 258 45I-HB B 1.732 ambi=1 { CB:40.804 } ::sumAvg: 4.78 atom: 258 45I-HB B 1.732 ambi=1 { CB:40.804 } atom: 1672 103I-HG2 G2 0.9126 ambi=1 { CG2:18.25 } ::sumAvg: 3.32 atom: 258 45I-HB B 1.732 ambi=1 { CB:40.804 } atom: 694 105K-HG2 G 1.256 ambi=2 { CG:25.12 } :: atom: 258 45I-HB B 1.732 ambi=1 { CB:40.804 } atom: 695 105K-HG3 G 0.919 ambi=2 { CG:25.12 } ::sumAvg: 4.83 atom: 258 45I-HB B 1.732 ambi=1 { CB:40.804 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } ::sumAvg: 4.815 atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 258 45I-HB B 1.732 ambi=1 { CB:40.804 } ::sumAvg: 4.815 atom: 1013 45I-HG12 G1 1.415 ambi=2 { CG1:27.956 } atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } ::sumAvg: 2.335 atom: 1013 45I-HG12 G1 1.415 ambi=2 { CG1:27.956 } atom: 1016 45I-HD1 D1 0.767 ambi=1 { CD1:14.087 } ::sumAvg: 2.105 atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 1013 45I-HG12 G1 1.415 ambi=2 { CG1:27.956 } :: atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 1014 45I-HG13 G1 1.086 ambi=2 { CG1:27.956 } ::sumAvg: 3.455 atom: 1013 45I-HG12 G1 1.415 ambi=2 { CG1:27.956 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } :: atom: 1014 45I-HG13 G1 1.086 ambi=2 { CG1:27.956 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } ::sumAvg: 4.56 atom: 692 105K-HB2 B 1.712 ambi=2 { CB:36.33 } atom: 1014 45I-HG13 G1 1.086 ambi=2 { CG1:27.956 } ::sumAvg: 4.56 atom: 1013 45I-HG12 G1 1.415 ambi=2 { CG1:27.956 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } :: atom: 1014 45I-HG13 G1 1.086 ambi=2 { CG1:27.956 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } ::sumAvg: 4.535 atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 1013 45I-HG12 G1 1.415 ambi=2 { CG1:27.956 } :: atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 1014 45I-HG13 G1 1.086 ambi=2 { CG1:27.956 } ::sumAvg: 4.535 atom: 1014 45I-HG13 G1 1.086 ambi=2 { CG1:27.956 } atom: 8695 105K-HD3 D 1.582 ambi=2 { CD:29.64 } ::sumAvg: 4.045 atom: 8695 105K-HD3 D 1.582 ambi=2 { CD:29.64 } atom: 1014 45I-HG13 G1 1.086 ambi=2 { CG1:27.956 } ::sumAvg: 4.045 atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } ::sumAvg: 3.81 atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } :: atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } ::sumAvg: 4.73 atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } ::sumAvg: 3.85 atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } ::sumAvg: 4.24 atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } atom: 4277 47K-QE E 2.89 ambi=2 { CE:41.62 } ::sumAvg: 4.255 atom: 4277 47K-QE E 2.89 ambi=2 { CE:41.62 } atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } ::sumAvg: 4.255 atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } ::sumAvg: 4.76 atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } ::sumAvg: 4.76 atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } atom: 317 54S-H N 8.761 ambi=1 { N:118.025 } ::sumAvg: 4.785 atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } ::sumAvg: 3.715 atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } :: atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } ::sumAvg: 3.84 atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } ::sumAvg: 3.47 atom: 671 103I-HG13 G1 1.414 ambi=2 { CG1:28.072 } atom: 1015 45I-HG2 G2 0.812 ambi=1 { CG2:18.11 } ::sumAvg: 3.7 atom: 671 103I-HG13 G1 1.414 ambi=2 { CG1:28.072 } atom: 1016 45I-HD1 D1 0.767 ambi=1 { CD1:14.087 } ::sumAvg: 4.545 atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } atom: 1016 45I-HD1 D1 0.767 ambi=1 { CD1:14.087 } ::sumAvg: 4.905 atom: 692 105K-HB2 B 1.712 ambi=2 { CB:36.33 } atom: 1016 45I-HD1 D1 0.767 ambi=1 { CD1:14.087 } :: atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } atom: 1016 45I-HD1 D1 0.767 ambi=1 { CD1:14.087 } ::sumAvg: 3.295 atom: 694 105K-HG2 G 1.256 ambi=2 { CG:25.12 } atom: 1016 45I-HD1 D1 0.767 ambi=1 { CD1:14.087 } ::sumAvg: 3.2 atom: 1016 45I-HD1 D1 0.767 ambi=1 { CD1:14.087 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } ::sumAvg: 3.465 atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } :: atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } ::sumAvg: 4.465 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } ::sumAvg: 4.71 atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } ::sumAvg: 4.905 atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } ::sumAvg: 4.95 atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } ::sumAvg: 3.135 atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } :: atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } atom: 262 46R-H N 9.217 ambi=1 { N:126.837 } ::sumAvg: 4.995 atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } ::sumAvg: 4.755 atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.06 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } ::sumAvg: 4.06 atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } atom: 271 47K-HB2 B 1.847 ambi=2 { CB:34.86 } :: atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } atom: 4272 47K-HB3 B 1.562 ambi=2 { CB:34.86 } ::sumAvg: 4.62 atom: 271 47K-HB2 B 1.847 ambi=2 { CB:34.86 } atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } :: atom: 4272 47K-HB3 B 1.562 ambi=2 { CB:34.86 } atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } ::sumAvg: 4.62 atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } atom: 4273 47K-QG G 1.231 ambi=2 { CG:24.55 } ::sumAvg: 4.735 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } ::sumAvg: 4.865 atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } ::sumAvg: 4.13 atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } ::sumAvg: 4.13 atom: 670 103I-HG12 G1 1.071 ambi=2 { CG1:28.072 } atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } :: atom: 671 103I-HG13 G1 1.414 ambi=2 { CG1:28.072 } atom: 263 46R-HA A 5.083 ambi=1 { CA:53.76 } ::sumAvg: 4.435 atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } :: atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } ::sumAvg: 3.425 atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } :: atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } ::sumAvg: 4.275 atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } :: atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } ::sumAvg: 4.87 atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } :: atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } ::sumAvg: 4.87 atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } atom: 307 53V-H N 8.448 ambi=1 { N:121.387 } :: atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } atom: 307 53V-H N 8.448 ambi=1 { N:121.387 } ::sumAvg: 3.85 atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } :: atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } ::sumAvg: 4.76 atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } :: atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } ::sumAvg: 3.97 atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } :: atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } ::sumAvg: 3.97 atom: 264 46R-HB2 B 1.935 ambi=2 { CB:33.559 } atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } :: atom: 265 46R-HB3 B 1.331 ambi=2 { CB:33.559 } atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } ::sumAvg: 4.76 atom: 278 48I-HB B 1.588 ambi=1 { CB:40.316 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } ::sumAvg: 4.5 atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } ::sumAvg: 4.04 atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } ::sumAvg: 4.545 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } ::sumAvg: 3.995 atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } :: atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } ::sumAvg: 4.785 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } ::sumAvg: 3.23 atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } :: atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } atom: 3269 46R-HE E 6.109 ambi=1 { NE:81.81 } ::sumAvg: 4.34 atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } :: atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 2.255 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } :: atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } ::sumAvg: 2.255 atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } :: atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } ::sumAvg: 3.35 atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } :: atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } ::sumAvg: 4.16 atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } :: atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } ::sumAvg: 4.16 atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } :: atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } ::sumAvg: 4.71 atom: 278 48I-HB B 1.588 ambi=1 { CB:40.316 } atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } :: atom: 278 48I-HB B 1.588 ambi=1 { CB:40.316 } atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } ::sumAvg: 3.665 atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } :: atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } ::sumAvg: 4.44 atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } :: atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } ::sumAvg: 4.94 atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } :: atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } ::sumAvg: 3.51 atom: 6262 46R-HG2 G 1.119 ambi=2 { CG:26.91 } atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } :: atom: 6263 46R-HG3 G 0.77 ambi=2 { CG:26.91 } atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } ::sumAvg: 4.465 atom: 278 48I-HB B 1.588 ambi=1 { CB:40.316 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.265 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } ::sumAvg: 4.195 atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.195 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } ::sumAvg: 4.665 atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.665 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } :: atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } ::sumAvg: 3.455 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 3.455 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } ::sumAvg: 3.245 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } ::sumAvg: 2.975 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } ::sumAvg: 4.64 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 578 91Q-HE21 E2 6.78 ambi=2 { NE2:113 } :: atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 579 91Q-HE22 E2 7.408 ambi=2 { NE2:113 } ::sumAvg: 4.21 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } ::sumAvg: 4.745 atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 4.745 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 938 94W-HE1 E1 10.53 ambi=1 { NE1:131.6 } ::sumAvg: 4.98 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } ::sumAvg: 4.835 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } ::sumAvg: 4.51 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 946 94W-HE3 E3 7.066 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.5 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } :: atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } ::sumAvg: 2.67 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 2.67 atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } :: atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } ::sumAvg: 3.83 atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } :: atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } atom: 6264 46R-QD D 2.87 ambi=2 { CD:41.8 } ::sumAvg: 3.83 atom: 4275 47K-QD D 1.593 ambi=2 { CD:29 } atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } ::sumAvg: 4.375 atom: 4277 47K-QE E 2.89 ambi=2 { CE:41.62 } atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } ::sumAvg: 4.905 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } ::sumAvg: 4.17 atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } :: atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } ::sumAvg: 4.35 atom: 670 103I-HG12 G1 1.071 ambi=2 { CG1:28.072 } atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } :: atom: 671 103I-HG13 G1 1.414 ambi=2 { CG1:28.072 } atom: 269 47K-H N 9.876 ambi=1 { N:132.271 } ::sumAvg: 4.26 atom: 4275 47K-QD D 1.593 ambi=2 { CD:29 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } ::sumAvg: 4.055 atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } atom: 4277 47K-QE E 2.89 ambi=2 { CE:41.62 } ::sumAvg: 4.37 atom: 4277 47K-QE E 2.89 ambi=2 { CE:41.62 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } ::sumAvg: 4.37 atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } ::sumAvg: 4.535 atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } ::sumAvg: 4.535 atom: 278 48I-HB B 1.588 ambi=1 { CB:40.316 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } ::sumAvg: 4.675 atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } ::sumAvg: 3.54 atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } ::sumAvg: 4.59 atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } ::sumAvg: 4.515 atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } atom: 302 52S-HB2 B 3.601 ambi=2 { CB:64.73 } :: atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } atom: 303 52S-HB3 B 3.558 ambi=2 { CB:64.73 } ::sumAvg: 4.365 atom: 302 52S-HB2 B 3.601 ambi=2 { CB:64.73 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } :: atom: 303 52S-HB3 B 3.558 ambi=2 { CB:64.73 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } ::sumAvg: 4.365 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 270 47K-HA A 5.257 ambi=1 { CA:55.26 } ::sumAvg: 4.77 atom: 271 47K-HB2 B 1.847 ambi=2 { CB:34.86 } atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } :: atom: 4272 47K-HB3 B 1.562 ambi=2 { CB:34.86 } atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } ::sumAvg: 4.525 atom: 271 47K-HB2 B 1.847 ambi=2 { CB:34.86 } atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } :: atom: 4272 47K-HB3 B 1.562 ambi=2 { CB:34.86 } atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } ::sumAvg: 4.75 atom: 271 47K-HB2 B 1.847 ambi=2 { CB:34.86 } atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } :: atom: 4272 47K-HB3 B 1.562 ambi=2 { CB:34.86 } atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } ::sumAvg: 4.9 atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } atom: 271 47K-HB2 B 1.847 ambi=2 { CB:34.86 } :: atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } atom: 4272 47K-HB3 B 1.562 ambi=2 { CB:34.86 } ::sumAvg: 4.9 atom: 271 47K-HB2 B 1.847 ambi=2 { CB:34.86 } atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } :: atom: 4272 47K-HB3 B 1.562 ambi=2 { CB:34.86 } atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } ::sumAvg: 3.745 atom: 271 47K-HB2 B 1.847 ambi=2 { CB:34.86 } atom: 670 103I-HG12 G1 1.071 ambi=2 { CG1:28.072 } :: atom: 271 47K-HB2 B 1.847 ambi=2 { CB:34.86 } atom: 671 103I-HG13 G1 1.414 ambi=2 { CG1:28.072 } :: atom: 4272 47K-HB3 B 1.562 ambi=2 { CB:34.86 } atom: 670 103I-HG12 G1 1.071 ambi=2 { CG1:28.072 } ::sumAvg: 4.465 atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } atom: 271 47K-HB2 B 1.847 ambi=2 { CB:34.86 } :: atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } atom: 4272 47K-HB3 B 1.562 ambi=2 { CB:34.86 } ::sumAvg: 4.925 atom: 4273 47K-QG G 1.231 ambi=2 { CG:24.55 } atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } ::sumAvg: 3.735 atom: 4273 47K-QG G 1.231 ambi=2 { CG:24.55 } atom: 302 52S-HB2 B 3.601 ambi=2 { CB:64.73 } :: atom: 4273 47K-QG G 1.231 ambi=2 { CG:24.55 } atom: 303 52S-HB3 B 3.558 ambi=2 { CB:64.73 } ::sumAvg: 3.56 atom: 4273 47K-QG G 1.231 ambi=2 { CG:24.55 } atom: 307 53V-H N 8.448 ambi=1 { N:121.387 } ::sumAvg: 4.74 atom: 4275 47K-QD D 1.593 ambi=2 { CD:29 } atom: 302 52S-HB2 B 3.601 ambi=2 { CB:64.73 } :: atom: 4275 47K-QD D 1.593 ambi=2 { CD:29 } atom: 303 52S-HB3 B 3.558 ambi=2 { CB:64.73 } ::sumAvg: 4.585 atom: 302 52S-HB2 B 3.601 ambi=2 { CB:64.73 } atom: 4275 47K-QD D 1.593 ambi=2 { CD:29 } :: atom: 303 52S-HB3 B 3.558 ambi=2 { CB:64.73 } atom: 4275 47K-QD D 1.593 ambi=2 { CD:29 } ::sumAvg: 4.585 atom: 4275 47K-QD D 1.593 ambi=2 { CD:29 } atom: 670 103I-HG12 G1 1.071 ambi=2 { CG1:28.072 } ::sumAvg: 4.3 atom: 670 103I-HG12 G1 1.071 ambi=2 { CG1:28.072 } atom: 4275 47K-QD D 1.593 ambi=2 { CD:29 } ::sumAvg: 4.3 atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } atom: 4275 47K-QD D 1.593 ambi=2 { CD:29 } ::sumAvg: 4.645 atom: 4277 47K-QE E 2.89 ambi=2 { CE:41.62 } atom: 302 52S-HB2 B 3.601 ambi=2 { CB:64.73 } :: atom: 4277 47K-QE E 2.89 ambi=2 { CE:41.62 } atom: 303 52S-HB3 B 3.558 ambi=2 { CB:64.73 } ::sumAvg: 3.88 atom: 302 52S-HB2 B 3.601 ambi=2 { CB:64.73 } atom: 4277 47K-QE E 2.89 ambi=2 { CE:41.62 } :: atom: 303 52S-HB3 B 3.558 ambi=2 { CB:64.73 } atom: 4277 47K-QE E 2.89 ambi=2 { CE:41.62 } ::sumAvg: 3.88 atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } :: atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } ::sumAvg: 4.715 atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } ::sumAvg: 4.235 atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } ::sumAvg: 4.345 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 276 48I-H N 7.909 ambi=1 { N:125.793 } ::sumAvg: 4.29 atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } ::sumAvg: 4.525 atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } ::sumAvg: 4.525 atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } atom: 641 100V-HB B 1.973 ambi=1 { CB:34.15 } ::sumAvg: 4.15 atom: 641 100V-HB B 1.973 ambi=1 { CB:34.15 } atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } ::sumAvg: 4.15 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } ::sumAvg: 3.225 atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } ::sumAvg: 3.59 atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } ::sumAvg: 4.91 atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 277 48I-HA A 4.36 ambi=1 { CA:61.132 } ::sumAvg: 4.91 atom: 278 48I-HB B 1.588 ambi=1 { CB:40.316 } atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } ::sumAvg: 4.165 atom: 278 48I-HB B 1.588 ambi=1 { CB:40.316 } atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } ::sumAvg: 4.425 atom: 1020 48I-HG12 G1 1.344 ambi=2 { CG1:27.8 } atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } :: atom: 1021 48I-HG13 G1 0.993 ambi=2 { CG1:27.8 } atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } ::sumAvg: 3.68 atom: 1020 48I-HG12 G1 1.344 ambi=2 { CG1:27.8 } atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } :: atom: 1020 48I-HG12 G1 1.344 ambi=2 { CG1:27.8 } atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } :: atom: 1021 48I-HG13 G1 0.993 ambi=2 { CG1:27.8 } atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } :: atom: 1021 48I-HG13 G1 0.993 ambi=2 { CG1:27.8 } atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } ::sumAvg: 3.865 atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } atom: 1020 48I-HG12 G1 1.344 ambi=2 { CG1:27.8 } :: atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } atom: 1020 48I-HG12 G1 1.344 ambi=2 { CG1:27.8 } :: atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } atom: 1021 48I-HG13 G1 0.993 ambi=2 { CG1:27.8 } :: atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } atom: 1021 48I-HG13 G1 0.993 ambi=2 { CG1:27.8 } ::sumAvg: 3.865 atom: 1020 48I-HG12 G1 1.344 ambi=2 { CG1:27.8 } atom: 624 98E-HB2 B 1.87 ambi=2 { CB:30.719 } :: atom: 1020 48I-HG12 G1 1.344 ambi=2 { CG1:27.8 } atom: 625 98E-HB3 B 1.973 ambi=2 { CB:30.719 } :: atom: 1021 48I-HG13 G1 0.993 ambi=2 { CG1:27.8 } atom: 624 98E-HB2 B 1.87 ambi=2 { CB:30.719 } :: atom: 1021 48I-HG13 G1 0.993 ambi=2 { CG1:27.8 } atom: 625 98E-HB3 B 1.973 ambi=2 { CB:30.719 } ::sumAvg: 3.895 atom: 624 98E-HB2 B 1.87 ambi=2 { CB:30.719 } atom: 1020 48I-HG12 G1 1.344 ambi=2 { CG1:27.8 } :: atom: 625 98E-HB3 B 1.973 ambi=2 { CB:30.719 } atom: 1020 48I-HG12 G1 1.344 ambi=2 { CG1:27.8 } :: atom: 624 98E-HB2 B 1.87 ambi=2 { CB:30.719 } atom: 1021 48I-HG13 G1 0.993 ambi=2 { CG1:27.8 } :: atom: 625 98E-HB3 B 1.973 ambi=2 { CB:30.719 } atom: 1021 48I-HG13 G1 0.993 ambi=2 { CG1:27.8 } ::sumAvg: 3.895 atom: 1020 48I-HG12 G1 1.344 ambi=2 { CG1:27.8 } atom: 639 100V-H N 8.215 ambi=1 { N:123.901 } :: atom: 1021 48I-HG13 G1 0.993 ambi=2 { CG1:27.8 } atom: 639 100V-H N 8.215 ambi=1 { N:123.901 } ::sumAvg: 4.72 atom: 1020 48I-HG12 G1 1.344 ambi=2 { CG1:27.8 } atom: 641 100V-HB B 1.973 ambi=1 { CB:34.15 } :: atom: 1021 48I-HG13 G1 0.993 ambi=2 { CG1:27.8 } atom: 641 100V-HB B 1.973 ambi=1 { CB:34.15 } ::sumAvg: 3.345 atom: 641 100V-HB B 1.973 ambi=1 { CB:34.15 } atom: 1020 48I-HG12 G1 1.344 ambi=2 { CG1:27.8 } :: atom: 641 100V-HB B 1.973 ambi=1 { CB:34.15 } atom: 1021 48I-HG13 G1 0.993 ambi=2 { CG1:27.8 } ::sumAvg: 3.345 atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } atom: 294 51T-H N 8.253 ambi=1 { N:115.167 } ::sumAvg: 3.925 atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } ::sumAvg: 4.345 atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } ::sumAvg: 4.345 atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } atom: 307 53V-H N 8.448 ambi=1 { N:121.387 } ::sumAvg: 4.66 atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } :: atom: 1022 48I-HG2 G2 0.865 ambi=1 { CG2:16.594 } atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } ::sumAvg: 4.495 atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } ::sumAvg: 4.03 atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } :: atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } ::sumAvg: 4.045 atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } :: atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } ::sumAvg: 4.045 atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } atom: 606 95G-H N 7.795 ambi=1 { N:109.481 } ::sumAvg: 4.89 atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } atom: 611 96T-H N 8.028 ambi=1 { N:112.538 } ::sumAvg: 4.455 atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } atom: 613 96T-HB B 4.127 ambi=1 { CB:70.04 } ::sumAvg: 4.61 atom: 613 96T-HB B 4.127 ambi=1 { CB:70.04 } atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } ::sumAvg: 4.61 atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } ::sumAvg: 3.535 atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } ::sumAvg: 3.535 atom: 624 98E-HB2 B 1.87 ambi=2 { CB:30.719 } atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } :: atom: 625 98E-HB3 B 1.973 ambi=2 { CB:30.719 } atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } ::sumAvg: 4.135 atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } atom: 626 98E-HG2 G 2.414 ambi=2 { CG:33.35 } :: atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } atom: 627 98E-HG3 G 2.21 ambi=2 { CG:33.35 } ::sumAvg: 4.875 atom: 626 98E-HG2 G 2.414 ambi=2 { CG:33.35 } atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } :: atom: 627 98E-HG3 G 2.21 ambi=2 { CG:33.35 } atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } ::sumAvg: 4.875 atom: 1023 48I-HD1 D1 0.623 ambi=1 { CD1:13.128 } atom: 639 100V-H N 8.215 ambi=1 { N:123.901 } ::sumAvg: 4.985 atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } ::sumAvg: 4.085 atom: 640 100V-HA A 4.495 ambi=1 { CA:60.92 } atom: 282 49G-H N 9.576 ambi=1 { N:120.665 } ::sumAvg: 4.95 atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } atom: 288 50D-HA A 4.777 ambi=1 { CA:54 } :: atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } atom: 288 50D-HA A 4.777 ambi=1 { CA:54 } ::sumAvg: 4.55 atom: 288 50D-HA A 4.777 ambi=1 { CA:54 } atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } :: atom: 288 50D-HA A 4.777 ambi=1 { CA:54 } atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } ::sumAvg: 4.55 atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } atom: 289 50D-HB2 B 2.686 ambi=2 { CB:40.52 } :: atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } atom: 290 50D-HB3 B 2.866 ambi=2 { CB:40.52 } :: atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } atom: 289 50D-HB2 B 2.686 ambi=2 { CB:40.52 } :: atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } atom: 290 50D-HB3 B 2.866 ambi=2 { CB:40.52 } ::sumAvg: 4.605 atom: 289 50D-HB2 B 2.686 ambi=2 { CB:40.52 } atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } :: atom: 290 50D-HB3 B 2.866 ambi=2 { CB:40.52 } atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } :: atom: 289 50D-HB2 B 2.686 ambi=2 { CB:40.52 } atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } :: atom: 290 50D-HB3 B 2.866 ambi=2 { CB:40.52 } atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } ::sumAvg: 4.605 atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } atom: 294 51T-H N 8.253 ambi=1 { N:115.167 } :: atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } atom: 294 51T-H N 8.253 ambi=1 { N:115.167 } ::sumAvg: 4.25 atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } :: atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } ::sumAvg: 4.705 atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 283 49G-HA2 A 4.021 ambi=2 { CA:46.91 } :: atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 284 49G-HA3 A 3.73 ambi=2 { CA:46.91 } ::sumAvg: 4.705 atom: 288 50D-HA A 4.777 ambi=1 { CA:54 } atom: 287 50D-H N 8.935 ambi=1 { N:126.343 } ::sumAvg: 2.6 atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 287 50D-H N 8.935 ambi=1 { N:126.343 } ::sumAvg: 4.195 atom: 288 50D-HA A 4.777 ambi=1 { CA:54 } atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } ::sumAvg: 4.65 atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 288 50D-HA A 4.777 ambi=1 { CA:54 } ::sumAvg: 4.65 atom: 289 50D-HB2 B 2.686 ambi=2 { CB:40.52 } atom: 295 51T-HA A 4.638 ambi=1 { CA:61.69 } :: atom: 290 50D-HB3 B 2.866 ambi=2 { CB:40.52 } atom: 295 51T-HA A 4.638 ambi=1 { CA:61.69 } ::sumAvg: 4.73 atom: 295 51T-HA A 4.638 ambi=1 { CA:61.69 } atom: 289 50D-HB2 B 2.686 ambi=2 { CB:40.52 } :: atom: 295 51T-HA A 4.638 ambi=1 { CA:61.69 } atom: 290 50D-HB3 B 2.866 ambi=2 { CB:40.52 } ::sumAvg: 4.73 atom: 289 50D-HB2 B 2.686 ambi=2 { CB:40.52 } atom: 296 51T-HB B 4.212 ambi=1 { CB:71.08 } :: atom: 290 50D-HB3 B 2.866 ambi=2 { CB:40.52 } atom: 296 51T-HB B 4.212 ambi=1 { CB:71.08 } ::sumAvg: 4.48 atom: 296 51T-HB B 4.212 ambi=1 { CB:71.08 } atom: 289 50D-HB2 B 2.686 ambi=2 { CB:40.52 } :: atom: 296 51T-HB B 4.212 ambi=1 { CB:71.08 } atom: 290 50D-HB3 B 2.866 ambi=2 { CB:40.52 } ::sumAvg: 4.48 atom: 289 50D-HB2 B 2.686 ambi=2 { CB:40.52 } atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } :: atom: 290 50D-HB3 B 2.866 ambi=2 { CB:40.52 } atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } ::sumAvg: 4.14 atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 289 50D-HB2 B 2.686 ambi=2 { CB:40.52 } :: atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 290 50D-HB3 B 2.866 ambi=2 { CB:40.52 } ::sumAvg: 4.14 atom: 295 51T-HA A 4.638 ambi=1 { CA:61.69 } atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } ::sumAvg: 4.53 atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } atom: 295 51T-HA A 4.638 ambi=1 { CA:61.69 } ::sumAvg: 4.53 atom: 295 51T-HA A 4.638 ambi=1 { CA:61.69 } atom: 302 52S-HB2 B 3.601 ambi=2 { CB:64.73 } :: atom: 295 51T-HA A 4.638 ambi=1 { CA:61.69 } atom: 303 52S-HB3 B 3.558 ambi=2 { CB:64.73 } ::sumAvg: 4.39 atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 300 52S-H N 8.71 ambi=1 { N:121.442 } ::sumAvg: 3.34 atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } ::sumAvg: 3.69 atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 307 53V-H N 8.448 ambi=1 { N:121.387 } ::sumAvg: 4.325 atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 309 53V-HB B 1.989 ambi=1 { CB:35.105 } ::sumAvg: 4.755 atom: 309 53V-HB B 1.989 ambi=1 { CB:35.105 } atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } ::sumAvg: 4.755 atom: 6696 51T-HG2 G2 1.223 ambi=1 { CG2:71.336 } atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } ::sumAvg: 3.8 atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } atom: 300 52S-H N 8.71 ambi=1 { N:121.442 } ::sumAvg: 4.59 atom: 309 53V-HB B 1.989 ambi=1 { CB:35.105 } atom: 300 52S-H N 8.71 ambi=1 { N:121.442 } ::sumAvg: 4.815 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 300 52S-H N 8.71 ambi=1 { N:121.442 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 300 52S-H N 8.71 ambi=1 { N:121.442 } ::sumAvg: 4.715 atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } ::sumAvg: 4.61 atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } ::sumAvg: 4.61 atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } atom: 309 53V-HB B 1.989 ambi=1 { CB:35.105 } ::sumAvg: 4.875 atom: 309 53V-HB B 1.989 ambi=1 { CB:35.105 } atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } ::sumAvg: 4.875 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 301 52S-HA A 5.318 ambi=1 { CA:57.29 } ::sumAvg: 3.685 atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } atom: 302 52S-HB2 B 3.601 ambi=2 { CB:64.73 } :: atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } atom: 303 52S-HB3 B 3.558 ambi=2 { CB:64.73 } ::sumAvg: 4.83 atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } ::sumAvg: 4.435 atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } ::sumAvg: 4.435 atom: 308 53V-HA A 4.65 ambi=1 { CA:60.449 } atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } ::sumAvg: 4.865 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } :: atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } ::sumAvg: 4.63 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } ::sumAvg: 4.625 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } ::sumAvg: 4.75 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } ::sumAvg: 4.555 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } :: atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } ::sumAvg: 3.51 atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } :: atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } :: atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } :: atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } ::sumAvg: 3.51 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 572 91Q-H N 7.546 ambi=1 { N:117.746 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 572 91Q-H N 7.546 ambi=1 { N:117.746 } ::sumAvg: 4.9 atom: 310 53V-HG1 G1 0.884 ambi=2 { CG1:21.19 } atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } :: atom: 311 53V-HG2 G2 0.769 ambi=2 { CG2:19.92 } atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } ::sumAvg: 4.33 atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } ::sumAvg: 4.505 atom: 318 54S-HA A 5.76 ambi=1 { CA:57.18 } atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } ::sumAvg: 3.905 atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } :: atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } ::sumAvg: 4.42 atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } atom: 319 54S-HB2 B 3.716 ambi=2 { CB:65.91 } :: atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } atom: 320 54S-HB3 B 3.673 ambi=2 { CB:65.91 } ::sumAvg: 4.42 atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 324 55Y-H N 9.34 ambi=1 { N:128.024 } ::sumAvg: 4.73 atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } ::sumAvg: 4.615 atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } ::sumAvg: 4.425 atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } ::sumAvg: 4.425 atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } atom: 333 56K-HB2 B 1.419 ambi=2 { CB:33.61 } :: atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } atom: 334 56K-HB3 B 1.574 ambi=2 { CB:33.61 } ::sumAvg: 4.51 atom: 333 56K-HB2 B 1.419 ambi=2 { CB:33.61 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } :: atom: 334 56K-HB3 B 1.574 ambi=2 { CB:33.61 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } ::sumAvg: 4.51 atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } atom: 1102 88W-HD1 D1 7.414 ambi=1 { CD1:123.9 } ::sumAvg: 4.975 atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } ::sumAvg: 4.99 atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } :: atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } ::sumAvg: 4.76 atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } :: atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } atom: 325 55Y-HA A 4.175 ambi=1 { CA:57.1 } ::sumAvg: 4.76 atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } :: atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } ::sumAvg: 4.4 atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } :: atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 4.695 atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } :: atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.535 atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } :: atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } ::sumAvg: 4.905 atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } :: atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } ::sumAvg: 4.905 atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } :: atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.845 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } :: atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } ::sumAvg: 4.845 atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } atom: 1102 88W-HD1 D1 7.414 ambi=1 { CD1:123.9 } :: atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } atom: 1102 88W-HD1 D1 7.414 ambi=1 { CD1:123.9 } ::sumAvg: 3.85 atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } :: atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } ::sumAvg: 4.995 atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } :: atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } :: atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } :: atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } ::sumAvg: 4.27 atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } :: atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } atom: 326 55Y-HB2 B 1.91 ambi=2 { CB:39.87 } :: atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } :: atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } atom: 327 55Y-HB3 B 0.788 ambi=2 { CB:39.87 } ::sumAvg: 4.27 atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } ::sumAvg: 4.79 atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } ::sumAvg: 4.195 atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } :: atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } ::sumAvg: 4.515 atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } :: atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } ::sumAvg: 4.735 atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } ::sumAvg: 3.94 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } ::sumAvg: 4.46 atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } :: atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } atom: 8322 55Y-QD D 5.76 ambi=3 { CD1:132.2 } ::sumAvg: 4.025 atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } ::sumAvg: 4.92 atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } ::sumAvg: 4.255 atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } :: atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } ::sumAvg: 4.92 atom: 540 86L-HB2 B 1.467 ambi=2 { CB:44.07 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } :: atom: 541 86L-HB3 B 1.539 ambi=2 { CB:44.07 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } ::sumAvg: 3.165 atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } ::sumAvg: 3.51 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } ::sumAvg: 4.975 atom: 560 89K-HB2 B 1.913 ambi=2 { CB:32.36 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } :: atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } atom: 8324 55Y-QE E 5.59 ambi=3 { CE1:116.9 } ::sumAvg: 4.88 atom: 7331 56K-QD D 1.59 ambi=2 { CD:29.2 } atom: 331 56K-H N 7.551 ambi=1 { N:127.706 } ::sumAvg: 4.64 atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } :: atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } ::sumAvg: 2.54 atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 7333 56K-QE E 2.9 ambi=2 { CE:41.2 } ::sumAvg: 4.43 atom: 7333 56K-QE E 2.9 ambi=2 { CE:41.2 } atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } ::sumAvg: 4.43 atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } ::sumAvg: 4.37 atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } :: atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } ::sumAvg: 4.555 atom: 332 56K-HA A 4.89 ambi=1 { CA:54.117 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } ::sumAvg: 3.505 atom: 333 56K-HB2 B 1.419 ambi=2 { CB:33.61 } atom: 7333 56K-QE E 2.9 ambi=2 { CE:41.2 } :: atom: 334 56K-HB3 B 1.574 ambi=2 { CB:33.61 } atom: 7333 56K-QE E 2.9 ambi=2 { CE:41.2 } ::sumAvg: 2.985 atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } :: atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } ::sumAvg: 4.515 atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } :: atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } ::sumAvg: 4.515 atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } :: atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } :: atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } :: atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } ::sumAvg: 4.58 atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } :: atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } ::sumAvg: 4.58 atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } :: atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } ::sumAvg: 4.905 atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } atom: 347 58T-HA A 4.259 ambi=1 { CA:62.25 } :: atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } atom: 347 58T-HA A 4.259 ambi=1 { CA:62.25 } ::sumAvg: 4.54 atom: 347 58T-HA A 4.259 ambi=1 { CA:62.25 } atom: 7329 56K-HG2 G 1.23 ambi=2 { CG:24.44 } :: atom: 347 58T-HA A 4.259 ambi=1 { CA:62.25 } atom: 7330 56K-HG3 G 1.28 ambi=2 { CG:24.44 } ::sumAvg: 4.54 atom: 7331 56K-QD D 1.59 ambi=2 { CD:29.2 } atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } ::sumAvg: 4.705 atom: 7333 56K-QE E 2.9 ambi=2 { CE:41.2 } atom: 338 57Y-H N 8.247 ambi=1 { N:124.225 } ::sumAvg: 4.945 atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 4.645 atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } atom: 346 58T-HB B 4.609 ambi=1 { CB:69.28 } ::sumAvg: 4.63 atom: 346 58T-HB B 4.609 ambi=1 { CB:69.28 } atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } ::sumAvg: 4.63 atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } ::sumAvg: 3.475 atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } :: atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } atom: 339 57Y-HA A 3.996 ambi=1 { CA:59.032 } ::sumAvg: 3.415 atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 4.4 atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 347 58T-HA A 4.259 ambi=1 { CA:62.25 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 347 58T-HA A 4.259 ambi=1 { CA:62.25 } ::sumAvg: 4.675 atom: 347 58T-HA A 4.259 ambi=1 { CA:62.25 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } :: atom: 347 58T-HA A 4.259 ambi=1 { CA:62.25 } atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } ::sumAvg: 4.675 atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } ::sumAvg: 4.37 atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } :: atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } ::sumAvg: 4.37 atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } ::sumAvg: 3.445 atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } :: atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } atom: 340 57Y-HB2 B 2.769 ambi=2 { CB:39.39 } :: atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } :: atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } atom: 341 57Y-HB3 B 3.289 ambi=2 { CB:39.39 } ::sumAvg: 3.445 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 3.445 atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } :: atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 3.25 atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 4.14 atom: 540 86L-HB2 B 1.467 ambi=2 { CB:44.07 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } :: atom: 541 86L-HB3 B 1.539 ambi=2 { CB:44.07 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 4.34 atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } atom: 8317 57Y-QE E 6.2 ambi=3 { CE2:117.3 } ::sumAvg: 4.78 atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } ::sumAvg: 4.73 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } ::sumAvg: 4.13 atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } ::sumAvg: 3.285 atom: 540 86L-HB2 B 1.467 ambi=2 { CB:44.07 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } :: atom: 541 86L-HB3 B 1.539 ambi=2 { CB:44.07 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } ::sumAvg: 4.375 atom: 7539 86L-HG G 1.452 ambi=1 { CG:26.99 } atom: 8319 57Y-QD D 6.797 ambi=3 { CD2:133.6 } ::sumAvg: 4.815 atom: 347 58T-HA A 4.259 ambi=1 { CA:62.25 } atom: 358 60R-H N 8.176 ambi=1 { N:118.244 } ::sumAvg: 4.885 atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } ::sumAvg: 4.23 atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } atom: 360 60R-HB2 B 2.029 ambi=2 { CB:29.846 } ::sumAvg: 3.475 atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } ::sumAvg: 4.57 atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } ::sumAvg: 4.405 atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 7347 58T-HG2 G2 1.437 ambi=1 { CG2:21.62 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } ::sumAvg: 3.035 atom: 360 60R-HB2 B 2.029 ambi=2 { CB:29.846 } atom: 351 59S-H N 8.402 ambi=1 { N:114.556 } :: atom: 361 60R-HB3 B 1.75 ambi=2 { CB:29.846 } atom: 351 59S-H N 8.402 ambi=1 { N:114.556 } ::sumAvg: 4.96 atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } ::sumAvg: 4.575 atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } ::sumAvg: 4.575 atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } atom: 6362 60R-HG3 G 1.676 ambi=2 { CG:26.99 } :: atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } atom: 6363 60R-HG2 G 1.588 ambi=2 { CG:26.99 } ::sumAvg: 4.615 atom: 6362 60R-HG3 G 1.676 ambi=2 { CG:26.99 } atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } :: atom: 6363 60R-HG2 G 1.588 ambi=2 { CG:26.99 } atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } ::sumAvg: 4.615 atom: 352 59S-HA A 4.05 ambi=1 { CA:61.68 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } ::sumAvg: 3.365 atom: 353 59S-HB2 B 3.99 ambi=2 { CB:63.21 } atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } :: atom: 354 59S-HB3 B 3.966 ambi=2 { CB:63.21 } atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } ::sumAvg: 4.73 atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } atom: 353 59S-HB2 B 3.99 ambi=2 { CB:63.21 } :: atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } atom: 354 59S-HB3 B 3.966 ambi=2 { CB:63.21 } ::sumAvg: 4.73 atom: 353 59S-HB2 B 3.99 ambi=2 { CB:63.21 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } :: atom: 354 59S-HB3 B 3.966 ambi=2 { CB:63.21 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } ::sumAvg: 4.85 atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } atom: 358 60R-H N 8.176 ambi=1 { N:118.244 } ::sumAvg: 3.98 atom: 366 61Y-HA A 3.897 ambi=1 { CA:61.93 } atom: 358 60R-H N 8.176 ambi=1 { N:118.244 } ::sumAvg: 4.97 atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } atom: 358 60R-H N 8.176 ambi=1 { N:118.244 } :: atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } atom: 358 60R-H N 8.176 ambi=1 { N:118.244 } ::sumAvg: 4.89 atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } ::sumAvg: 4.46 atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } ::sumAvg: 4.46 atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } atom: 6362 60R-HG3 G 1.676 ambi=2 { CG:26.99 } :: atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } atom: 6363 60R-HG2 G 1.588 ambi=2 { CG:26.99 } ::sumAvg: 3.7 atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } atom: 366 61Y-HA A 3.897 ambi=1 { CA:61.93 } ::sumAvg: 4.515 atom: 366 61Y-HA A 3.897 ambi=1 { CA:61.93 } atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } ::sumAvg: 4.515 atom: 359 60R-HA A 4.489 ambi=1 { CA:54.96 } atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } ::sumAvg: 4.885 atom: 360 60R-HB2 B 2.029 ambi=2 { CB:29.846 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } :: atom: 361 60R-HB3 B 1.75 ambi=2 { CB:29.846 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } ::sumAvg: 4.135 atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } atom: 360 60R-HB2 B 2.029 ambi=2 { CB:29.846 } :: atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } atom: 360 60R-HB2 B 2.029 ambi=2 { CB:29.846 } :: atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } atom: 361 60R-HB3 B 1.75 ambi=2 { CB:29.846 } :: atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } atom: 361 60R-HB3 B 1.75 ambi=2 { CB:29.846 } ::sumAvg: 4.555 atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } ::sumAvg: 4.805 atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } ::sumAvg: 4.56 atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } ::sumAvg: 3.26 atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } ::sumAvg: 3.66 atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } ::sumAvg: 4.9 atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } ::sumAvg: 4.9 atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } ::sumAvg: 4.905 atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } ::sumAvg: 4.905 atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } ::sumAvg: 3.315 atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } :: atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } atom: 6360 60R-QD D 3.2 ambi=2 { CD:43.15 } ::sumAvg: 3.315 atom: 6362 60R-HG3 G 1.676 ambi=2 { CG:26.99 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } :: atom: 6363 60R-HG2 G 1.588 ambi=2 { CG:26.99 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } ::sumAvg: 3.04 atom: 6362 60R-HG3 G 1.676 ambi=2 { CG:26.99 } atom: 366 61Y-HA A 3.897 ambi=1 { CA:61.93 } :: atom: 6363 60R-HG2 G 1.588 ambi=2 { CG:26.99 } atom: 366 61Y-HA A 3.897 ambi=1 { CA:61.93 } ::sumAvg: 4.395 atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } atom: 6362 60R-HG3 G 1.676 ambi=2 { CG:26.99 } :: atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } atom: 6362 60R-HG3 G 1.676 ambi=2 { CG:26.99 } :: atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } atom: 6363 60R-HG2 G 1.588 ambi=2 { CG:26.99 } :: atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } atom: 6363 60R-HG2 G 1.588 ambi=2 { CG:26.99 } ::sumAvg: 3.275 atom: 6362 60R-HG3 G 1.676 ambi=2 { CG:26.99 } atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } :: atom: 6363 60R-HG2 G 1.588 ambi=2 { CG:26.99 } atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } ::sumAvg: 1.955 atom: 6362 60R-HG3 G 1.676 ambi=2 { CG:26.99 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } :: atom: 6363 60R-HG2 G 1.588 ambi=2 { CG:26.99 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } ::sumAvg: 3.295 atom: 6362 60R-HG3 G 1.676 ambi=2 { CG:26.99 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 6362 60R-HG3 G 1.676 ambi=2 { CG:26.99 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } :: atom: 6363 60R-HG2 G 1.588 ambi=2 { CG:26.99 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 6363 60R-HG2 G 1.588 ambi=2 { CG:26.99 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } ::sumAvg: 4.02 atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } ::sumAvg: 4.895 atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } :: atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } atom: 365 61Y-H N 7.617 ambi=1 { N:122.301 } ::sumAvg: 4.985 atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } :: atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } ::sumAvg: 4.405 atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } :: atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } ::sumAvg: 4.75 atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } :: atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } :: atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } :: atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } ::sumAvg: 4.27 atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } :: atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } :: atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } :: atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } ::sumAvg: 4.27 atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } atom: 5519 83P-HD2 D 3.664 ambi=2 { CD:49.83 } :: atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } atom: 5520 83P-HD3 D 3.816 ambi=2 { CD:49.83 } :: atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } atom: 5519 83P-HD2 D 3.664 ambi=2 { CD:49.83 } :: atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } atom: 5520 83P-HD3 D 3.816 ambi=2 { CD:49.83 } ::sumAvg: 4.66 atom: 5519 83P-HD2 D 3.664 ambi=2 { CD:49.83 } atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } :: atom: 5520 83P-HD3 D 3.816 ambi=2 { CD:49.83 } atom: 367 61Y-HB2 B 3.233 ambi=2 { CB:38.67 } :: atom: 5519 83P-HD2 D 3.664 ambi=2 { CD:49.83 } atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } :: atom: 5520 83P-HD3 D 3.816 ambi=2 { CD:49.83 } atom: 368 61Y-HB3 B 2.613 ambi=2 { CB:38.67 } ::sumAvg: 4.66 atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } ::sumAvg: 4.205 atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } ::sumAvg: 3.595 atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } :: atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } ::sumAvg: 4.455 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } ::sumAvg: 4.835 atom: 526 84T-HA A 4.567 ambi=1 { CA:64.77 } atom: 8340 61Y-QD D 6.898 ambi=3 { CD1:133 } ::sumAvg: 4.785 atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } ::sumAvg: 4.145 atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } ::sumAvg: 3.84 atom: 424 69V-HB B 2.345 ambi=1 { CB:33.6 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } ::sumAvg: 3.775 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } ::sumAvg: 3.425 atom: 7539 86L-HG G 1.452 ambi=1 { CG:26.99 } atom: 8342 61Y-QE E 6.69 ambi=3 { CE1:117.6 } ::sumAvg: 3.575 atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } ::sumAvg: 4.405 atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } ::sumAvg: 4.405 atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } :: atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } ::sumAvg: 4.335 atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } :: atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } ::sumAvg: 4.335 atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 4.1 atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } atom: 373 62V-HA A 3.893 ambi=1 { CA:60.59 } ::sumAvg: 4.1 atom: 374 62V-HB B 1.589 ambi=1 { CB:35.27 } atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } ::sumAvg: 3.455 atom: 374 62V-HB B 1.589 ambi=1 { CB:35.27 } atom: 7391 64K-HG3 G 1.148 ambi=2 { CG:25.887 } ::sumAvg: 4.84 atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } :: atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } ::sumAvg: 4.14 atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } :: atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } ::sumAvg: 4.14 atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 4.55 atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } ::sumAvg: 4.55 atom: 375 62V-HG1 G1 0.387 ambi=2 { CG1:20.473 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } :: atom: 376 62V-HG2 G2 0.707 ambi=2 { CG2:20.779 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } ::sumAvg: 4.26 atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } atom: 382 63L-H N 7.852 ambi=1 { N:128.635 } ::sumAvg: 3.6 atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } ::sumAvg: 3.125 atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } ::sumAvg: 3.125 atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } ::sumAvg: 4.41 atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } ::sumAvg: 4.41 atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } :: atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } ::sumAvg: 4.55 atom: 7390 64K-HG2 G 1.456 ambi=2 { CG:25.887 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } :: atom: 7391 64K-HG3 G 1.148 ambi=2 { CG:25.887 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } ::sumAvg: 4.89 atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } :: atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } ::sumAvg: 3.96 atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } ::sumAvg: 3.91 atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } ::sumAvg: 3.91 atom: 383 63L-HA A 4.558 ambi=1 { CA:51.98 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.725 atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } :: atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } :: atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } ::sumAvg: 4.305 atom: 384 63L-HB2 B 1.423 ambi=2 { CB:42.6 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } :: atom: 385 63L-HB3 B 1.837 ambi=2 { CB:42.6 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.31 atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 1.885 atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } ::sumAvg: 4.295 atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } ::sumAvg: 4.475 atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } ::sumAvg: 4.475 atom: 7382 63L-HG G 1.63 ambi=1 { CG:27 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 3.855 atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } ::sumAvg: 4.605 atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 4.605 atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } :: atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 4.285 atom: 7390 64K-HG2 G 1.456 ambi=2 { CG:25.887 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 4.86 atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } atom: 408 67Q-HA A 4.436 ambi=1 { CA:55.029 } ::sumAvg: 4.78 atom: 408 67Q-HA A 4.436 ambi=1 { CA:55.029 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 4.78 atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } ::sumAvg: 2.995 atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } ::sumAvg: 2.995 atom: 7383 63L-QD D 0.881 ambi=2 { QCD:23.47 } atom: 423 69V-HA A 4.989 ambi=1 { CA:59.265 } ::sumAvg: 3.93 atom: 7394 64K-QE E 2.93 ambi=2 { CE:41.72 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } ::sumAvg: 4.745 atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } :: atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } ::sumAvg: 3.04 atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } atom: 389 64K-H N 8.77 ambi=1 { N:130.633 } ::sumAvg: 3.445 atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } atom: 7394 64K-QE E 2.93 ambi=2 { CE:41.72 } ::sumAvg: 4.52 atom: 7394 64K-QE E 2.93 ambi=2 { CE:41.72 } atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } ::sumAvg: 4.52 atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } ::sumAvg: 4.1 atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } :: atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } ::sumAvg: 4.715 atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } :: atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } atom: 390 64K-HA A 3.722 ambi=1 { CA:57.36 } ::sumAvg: 4.715 atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } :: atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } ::sumAvg: 4.78 atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } :: atom: 397 65A-HA A 3.557 ambi=1 { CA:53.7 } atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } ::sumAvg: 4.78 atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } :: atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } ::sumAvg: 4.035 atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } :: atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } ::sumAvg: 4.035 atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } atom: 407 67Q-H N 8.136 ambi=1 { N:118.759 } :: atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } atom: 407 67Q-H N 8.136 ambi=1 { N:118.759 } ::sumAvg: 4.415 atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } :: atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } ::sumAvg: 3.54 atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } atom: 1002 67Q-HE21 E2 6.875 ambi=2 { NE2:114.1 } :: atom: 391 64K-HB2 B 1.791 ambi=2 { CB:32.381 } atom: 1003 67Q-HE22 E2 7.463 ambi=2 { NE2:114.1 } :: atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } atom: 1002 67Q-HE21 E2 6.875 ambi=2 { NE2:114.1 } :: atom: 392 64K-HB3 B 1.465 ambi=2 { CB:32.381 } atom: 1003 67Q-HE22 E2 7.463 ambi=2 { NE2:114.1 } ::sumAvg: 3.93 atom: 7390 64K-HG2 G 1.456 ambi=2 { CG:25.887 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } ::sumAvg: 4.325 atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } atom: 7390 64K-HG2 G 1.456 ambi=2 { CG:25.887 } ::sumAvg: 4.325 atom: 7390 64K-HG2 G 1.456 ambi=2 { CG:25.887 } atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } :: atom: 7390 64K-HG2 G 1.456 ambi=2 { CG:25.887 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } :: atom: 7391 64K-HG3 G 1.148 ambi=2 { CG:25.887 } atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } :: atom: 7391 64K-HG3 G 1.148 ambi=2 { CG:25.887 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } ::sumAvg: 4.845 atom: 7390 64K-HG2 G 1.456 ambi=2 { CG:25.887 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } :: atom: 7391 64K-HG3 G 1.148 ambi=2 { CG:25.887 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } ::sumAvg: 4.87 atom: 7392 64K-QD D 1.591 ambi=2 { CD:28.6 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } ::sumAvg: 4.35 atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } atom: 7392 64K-QD D 1.591 ambi=2 { CD:28.6 } ::sumAvg: 4.35 atom: 7392 64K-QD D 1.591 ambi=2 { CD:28.6 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } ::sumAvg: 4.265 atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } atom: 7392 64K-QD D 1.591 ambi=2 { CD:28.6 } ::sumAvg: 4.265 atom: 7392 64K-QD D 1.591 ambi=2 { CD:28.6 } atom: 1002 67Q-HE21 E2 6.875 ambi=2 { NE2:114.1 } :: atom: 7392 64K-QD D 1.591 ambi=2 { CD:28.6 } atom: 1003 67Q-HE22 E2 7.463 ambi=2 { NE2:114.1 } ::sumAvg: 4.46 atom: 7394 64K-QE E 2.93 ambi=2 { CE:41.72 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } ::sumAvg: 4.725 atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } atom: 7394 64K-QE E 2.93 ambi=2 { CE:41.72 } ::sumAvg: 4.725 atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 398 65A-HB B 1.042 ambi=1 { CB:18.66 } ::sumAvg: 3.705 atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 408 67Q-HA A 4.436 ambi=1 { CA:55.029 } ::sumAvg: 4.09 atom: 408 67Q-HA A 4.436 ambi=1 { CA:55.029 } atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } ::sumAvg: 4.09 atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } :: atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } ::sumAvg: 4.7 atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } :: atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } ::sumAvg: 4.7 atom: 403 66G-QA A 4.02 ambi=2 { CA:46.864 } atom: 7418 68T-HG2 G2 1.13 ambi=1 { CG2:20.69 } ::sumAvg: 4.75 atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } atom: 407 67Q-H N 8.136 ambi=1 { N:118.759 } ::sumAvg: 3.9 atom: 408 67Q-HA A 4.436 ambi=1 { CA:55.029 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } ::sumAvg: 4.415 atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } atom: 408 67Q-HA A 4.436 ambi=1 { CA:55.029 } ::sumAvg: 4.415 atom: 408 67Q-HA A 4.436 ambi=1 { CA:55.029 } atom: 7418 68T-HG2 G2 1.13 ambi=1 { CG2:20.69 } ::sumAvg: 3.58 atom: 7418 68T-HG2 G2 1.13 ambi=1 { CG2:20.69 } atom: 408 67Q-HA A 4.436 ambi=1 { CA:55.029 } ::sumAvg: 3.58 atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } :: atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } ::sumAvg: 4.775 atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } :: atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } ::sumAvg: 4.775 atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } :: atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.955 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 409 67Q-HB2 B 1.982 ambi=2 { CB:29.7 } :: atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 410 67Q-HB3 B 2.32 ambi=2 { CB:29.7 } ::sumAvg: 4.955 atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } atom: 1002 67Q-HE21 E2 6.875 ambi=2 { NE2:114.1 } :: atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } atom: 1003 67Q-HE22 E2 7.463 ambi=2 { NE2:114.1 } ::sumAvg: 2.51 atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } ::sumAvg: 4.81 atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } ::sumAvg: 4.81 atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } atom: 7418 68T-HG2 G2 1.13 ambi=1 { CG2:20.69 } ::sumAvg: 4.76 atom: 7418 68T-HG2 G2 1.13 ambi=1 { CG2:20.69 } atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } ::sumAvg: 4.76 atom: 411 67Q-QG G 2.396 ambi=2 { CG:34.376 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.28 atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } ::sumAvg: 3.715 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 416 68T-H N 8.066 ambi=1 { N:111.842 } ::sumAvg: 4.835 atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } atom: 423 69V-HA A 4.989 ambi=1 { CA:59.265 } ::sumAvg: 4.48 atom: 423 69V-HA A 4.989 ambi=1 { CA:59.265 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } ::sumAvg: 4.48 atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 3.5 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 417 68T-HA A 5.414 ambi=1 { CA:60.05 } ::sumAvg: 3.5 atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } atom: 423 69V-HA A 4.989 ambi=1 { CA:59.265 } ::sumAvg: 4.74 atom: 423 69V-HA A 4.989 ambi=1 { CA:59.265 } atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } ::sumAvg: 4.74 atom: 418 68T-HB B 4.064 ambi=1 { CB:72.052 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.54 atom: 423 69V-HA A 4.989 ambi=1 { CA:59.265 } atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } ::sumAvg: 4.67 atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } atom: 423 69V-HA A 4.989 ambi=1 { CA:59.265 } ::sumAvg: 4.67 atom: 423 69V-HA A 4.989 ambi=1 { CA:59.265 } atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } ::sumAvg: 3.61 atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } atom: 423 69V-HA A 4.989 ambi=1 { CA:59.265 } ::sumAvg: 3.61 atom: 424 69V-HB B 2.345 ambi=1 { CB:33.6 } atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } ::sumAvg: 4.64 atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 424 69V-HB B 2.345 ambi=1 { CB:33.6 } ::sumAvg: 4.64 atom: 424 69V-HB B 2.345 ambi=1 { CB:33.6 } atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } ::sumAvg: 4.76 atom: 432 70T-HA A 4.618 ambi=1 { CA:61.73 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 3.805 atom: 433 70T-HB B 4.07 ambi=1 { CB:69.55 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.75 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.85 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.85 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } ::sumAvg: 4.12 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } ::sumAvg: 4.595 atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.595 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.89 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } ::sumAvg: 4.96 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } :: atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } ::sumAvg: 4.925 atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } :: atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } ::sumAvg: 4.925 atom: 425 69V-QG G 0.9535 ambi=2 { QCG:19.99 } atom: 538 86L-H N 9.271 ambi=1 { N:124.265 } ::sumAvg: 3.595 atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 431 70T-H N 8.66 ambi=1 { N:125.533 } ::sumAvg: 4.43 atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } atom: 431 70T-H N 8.66 ambi=1 { N:125.533 } :: atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } atom: 431 70T-H N 8.66 ambi=1 { N:125.533 } ::sumAvg: 3.625 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } ::sumAvg: 4.03 atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.03 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } ::sumAvg: 4.555 atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.555 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } :: atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } ::sumAvg: 4.8 atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } :: atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.8 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } ::sumAvg: 4.775 atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.775 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } ::sumAvg: 3.81 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } ::sumAvg: 3.67 atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 3.67 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 4.695 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 4.695 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 909 72W-HE1 E1 11.5 ambi=1 { NE1:132.2 } ::sumAvg: 2.94 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } ::sumAvg: 4.76 atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } :: atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } ::sumAvg: 3.96 atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } :: atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } atom: 7433 70T-HG2 G2 -0.183 ambi=1 { CG2:21.3 } ::sumAvg: 3.96 atom: 1027 71I-HG12 G1 0.755 ambi=2 { CG1:27.475 } atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } :: atom: 1028 71I-HG13 G1 0.625 ambi=2 { CG1:27.475 } atom: 437 71I-H N 8.994 ambi=1 { N:127.838 } ::sumAvg: 2.34 atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } ::sumAvg: 4.47 atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } ::sumAvg: 4.47 atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 4.62 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } ::sumAvg: 4.62 atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } atom: 907 72W-HD1 D1 7.026 ambi=1 { CD1:126.7 } ::sumAvg: 3.81 atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } :: atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } ::sumAvg: 4.78 atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } :: atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } ::sumAvg: 4.78 atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } ::sumAvg: 4.21 atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } ::sumAvg: 4.21 atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 4.435 atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.72 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 438 71I-HA A 4.369 ambi=1 { CA:59.162 } ::sumAvg: 4.72 atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } ::sumAvg: 4.235 atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } ::sumAvg: 4.89 atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } ::sumAvg: 4.89 atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.89 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 439 71I-HB B 1.552 ambi=1 { CB:36.826 } ::sumAvg: 4.89 atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } ::sumAvg: 4.045 atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.045 atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 4.78 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.78 atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } ::sumAvg: 4.1 atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.1 atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } ::sumAvg: 4.605 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.605 atom: 540 86L-HB2 B 1.467 ambi=2 { CB:44.07 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } :: atom: 541 86L-HB3 B 1.539 ambi=2 { CB:44.07 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 3.48 atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } :: atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.265 atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } ::sumAvg: 4.07 atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 4.07 atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } ::sumAvg: 3.895 atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 1102 88W-HD1 D1 7.414 ambi=1 { CD1:123.9 } ::sumAvg: 4.725 atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } ::sumAvg: 4.41 atom: 1029 71I-HG2 G2 0.013 ambi=1 { CG2:18.477 } atom: 942 94W-HH2 H2 6.805 ambi=1 { CH2:121.6 } ::sumAvg: 4.925 atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } ::sumAvg: 4.635 atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } ::sumAvg: 4.635 atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } ::sumAvg: 4.41 atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } ::sumAvg: 4.41 atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 7539 86L-HG G 1.452 ambi=1 { CG:26.99 } ::sumAvg: 3.68 atom: 7539 86L-HG G 1.452 ambi=1 { CG:26.99 } atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } ::sumAvg: 3.68 atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 4.905 atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.345 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 1030 71I-HD1 D1 0.245 ambi=1 { CD1:13.331 } ::sumAvg: 4.345 atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } ::sumAvg: 4.825 atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } :: atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } ::sumAvg: 4.335 atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } ::sumAvg: 2.87 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } ::sumAvg: 4.52 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } ::sumAvg: 3.89 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 443 72W-H N 9.27 ambi=1 { N:127.112 } ::sumAvg: 4.685 atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } atom: 907 72W-HD1 D1 7.026 ambi=1 { CD1:126.7 } ::sumAvg: 3.955 atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } ::sumAvg: 4.415 atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } ::sumAvg: 4.415 atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } ::sumAvg: 4.035 atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } ::sumAvg: 3.975 atom: 444 72W-HA A 5.167 ambi=1 { CA:56.18 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 4.67 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 909 72W-HE1 E1 11.5 ambi=1 { NE1:132.2 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 909 72W-HE1 E1 11.5 ambi=1 { NE1:132.2 } ::sumAvg: 4.835 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } ::sumAvg: 4.86 atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 4.86 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } ::sumAvg: 4.43 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 4.43 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } ::sumAvg: 3.79 atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 3.79 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 3.79 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 3.79 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 545 87I-H N 8.691 ambi=1 { N:119.475 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 545 87I-H N 8.691 ambi=1 { N:119.475 } ::sumAvg: 4.93 atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 2.56 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } ::sumAvg: 4.995 atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 4.995 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } :: atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 1035 87I-HG13 G1 1.508 ambi=2 { CG1:28.02 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 1035 87I-HG13 G1 1.508 ambi=2 { CG1:28.02 } ::sumAvg: 2.58 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 3.32 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } :: atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } ::sumAvg: 3.32 atom: 445 72W-HB2 B 3.41 ambi=2 { CB:31.49 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } :: atom: 446 72W-HB3 B 3.034 ambi=2 { CB:31.49 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 3.84 atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } atom: 907 72W-HD1 D1 7.026 ambi=1 { CD1:126.7 } ::sumAvg: 4.06 atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } atom: 907 72W-HD1 D1 7.026 ambi=1 { CD1:126.7 } :: atom: 1035 87I-HG13 G1 1.508 ambi=2 { CG1:28.02 } atom: 907 72W-HD1 D1 7.026 ambi=1 { CD1:126.7 } ::sumAvg: 3.83 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 909 72W-HE1 E1 11.5 ambi=1 { NE1:132.2 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 909 72W-HE1 E1 11.5 ambi=1 { NE1:132.2 } ::sumAvg: 4.465 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 911 72W-HZ2 Z2 7.182 ambi=1 { CZ2:114.3 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 911 72W-HZ2 Z2 7.182 ambi=1 { CZ2:114.3 } ::sumAvg: 4.9 atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 915 72W-HZ3 Z3 7.075 ambi=1 { CZ3:121.3 } ::sumAvg: 4.72 atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 917 72W-HE3 E3 7.567 ambi=1 { CE3:121.05 } ::sumAvg: 3.305 atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } ::sumAvg: 4.645 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 450 73A-H N 9.01 ambi=1 { N:122.14 } ::sumAvg: 4.97 atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } ::sumAvg: 4.39 atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } ::sumAvg: 4.39 atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } ::sumAvg: 4.045 atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } ::sumAvg: 4.585 atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } ::sumAvg: 4.98 atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } ::sumAvg: 4.98 atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 4.255 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } ::sumAvg: 4.255 atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 3.435 atom: 451 73A-HA A 4.617 ambi=1 { CA:52.11 } atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } ::sumAvg: 3.6 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } ::sumAvg: 4.655 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } :: atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } ::sumAvg: 4.065 atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } :: atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } ::sumAvg: 4.065 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } ::sumAvg: 4.88 atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } ::sumAvg: 4.88 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 4.81 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } ::sumAvg: 3.83 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } ::sumAvg: 4.28 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } ::sumAvg: 4.615 atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } ::sumAvg: 4.615 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } ::sumAvg: 4.365 atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } ::sumAvg: 4.365 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 585 92N-H N 8.451 ambi=1 { N:123.697 } ::sumAvg: 4.815 atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } :: atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } ::sumAvg: 4.755 atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } :: atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } atom: 452 73A-HB B 1.611 ambi=1 { CB:19.07 } ::sumAvg: 4.755 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 456 74A-H N 9.002 ambi=1 { N:123.213 } ::sumAvg: 3.47 atom: 559 89K-HA A 3.996 ambi=1 { CA:58.847 } atom: 456 74A-H N 9.002 ambi=1 { N:123.213 } ::sumAvg: 3.92 atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } atom: 463 75N-HA A 5.015 ambi=1 { CA:51.65 } ::sumAvg: 4.63 atom: 463 75N-HA A 5.015 ambi=1 { CA:51.65 } atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } ::sumAvg: 4.63 atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } ::sumAvg: 4.35 atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } ::sumAvg: 4.74 atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 4.895 atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } ::sumAvg: 4.945 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } ::sumAvg: 4.945 atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } ::sumAvg: 4.935 atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } atom: 2561 89K-HG2 G 1.521 ambi=2 { CG:24.9 } :: atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } atom: 2562 89K-HG3 G 1.666 ambi=2 { CG:24.9 } ::sumAvg: 3.43 atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } ::sumAvg: 4.815 atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } atom: 457 74A-HA A 4.042 ambi=1 { CA:54.65 } ::sumAvg: 4.815 atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 463 75N-HA A 5.015 ambi=1 { CA:51.65 } ::sumAvg: 3.965 atom: 463 75N-HA A 5.015 ambi=1 { CA:51.65 } atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } ::sumAvg: 3.965 atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } :: atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } ::sumAvg: 4.32 atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } :: atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } ::sumAvg: 4.32 atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 904 75N-HD21 D2 7.24 ambi=2 { ND2:112.6 } :: atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 905 75N-HD22 D2 7.826 ambi=2 { ND2:112.6 } ::sumAvg: 3.645 atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.7 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } ::sumAvg: 4.7 atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } ::sumAvg: 4.75 atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } ::sumAvg: 4.23 atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } ::sumAvg: 4.23 atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } ::sumAvg: 4.84 atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 585 92N-H N 8.451 ambi=1 { N:123.697 } ::sumAvg: 3.96 atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } :: atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } ::sumAvg: 3.695 atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } :: atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } ::sumAvg: 3.695 atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 901 92N-HD21 D2 6.675 ambi=2 { ND2:110 } :: atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 902 92N-HD22 D2 7.399 ambi=2 { ND2:110 } ::sumAvg: 3.375 atom: 458 74A-HB B 1.59 ambi=1 { CB:18.07 } atom: 592 93S-H N 9.337 ambi=1 { N:117.01 } ::sumAvg: 4.2 atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } ::sumAvg: 4.98 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } ::sumAvg: 4.73 atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } :: atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } ::sumAvg: 4.515 atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } :: atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } atom: 462 75N-H N 8.162 ambi=1 { N:112.259 } ::sumAvg: 4.815 atom: 463 75N-HA A 5.015 ambi=1 { CA:51.65 } atom: 904 75N-HD21 D2 7.24 ambi=2 { ND2:112.6 } :: atom: 463 75N-HA A 5.015 ambi=1 { CA:51.65 } atom: 905 75N-HD22 D2 7.826 ambi=2 { ND2:112.6 } ::sumAvg: 3.41 atom: 463 75N-HA A 5.015 ambi=1 { CA:51.65 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } ::sumAvg: 4.65 atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 463 75N-HA A 5.015 ambi=1 { CA:51.65 } ::sumAvg: 4.65 atom: 463 75N-HA A 5.015 ambi=1 { CA:51.65 } atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } ::sumAvg: 4.475 atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } atom: 463 75N-HA A 5.015 ambi=1 { CA:51.65 } ::sumAvg: 4.475 atom: 463 75N-HA A 5.015 ambi=1 { CA:51.65 } atom: 475 77G-H N 8.449 ambi=1 { N:107.064 } ::sumAvg: 3.665 atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } :: atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } ::sumAvg: 4.025 atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } :: atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } ::sumAvg: 4.775 atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } :: atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } ::sumAvg: 4.775 atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } atom: 475 77G-H N 8.449 ambi=1 { N:107.064 } :: atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } atom: 475 77G-H N 8.449 ambi=1 { N:107.064 } ::sumAvg: 4.73 atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } :: atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } ::sumAvg: 4.39 atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } ::sumAvg: 4.4 atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } atom: 592 93S-H N 9.337 ambi=1 { N:117.01 } :: atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } atom: 592 93S-H N 9.337 ambi=1 { N:117.01 } ::sumAvg: 3.82 atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } :: atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } :: atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } ::sumAvg: 4.55 atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } :: atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } atom: 464 75N-HB2 B 2.676 ambi=2 { CB:36.59 } :: atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } atom: 465 75N-HB3 B 3.213 ambi=2 { CB:36.59 } ::sumAvg: 4.55 atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } atom: 904 75N-HD21 D2 7.24 ambi=2 { ND2:112.6 } :: atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } atom: 905 75N-HD22 D2 7.826 ambi=2 { ND2:112.6 } ::sumAvg: 4.11 atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } atom: 904 75N-HD21 D2 7.24 ambi=2 { ND2:112.6 } :: atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } atom: 904 75N-HD21 D2 7.24 ambi=2 { ND2:112.6 } :: atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } atom: 905 75N-HD22 D2 7.826 ambi=2 { ND2:112.6 } :: atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } atom: 905 75N-HD22 D2 7.826 ambi=2 { ND2:112.6 } ::sumAvg: 4.935 atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } :: atom: 1035 87I-HG13 G1 1.508 ambi=2 { CG1:28.02 } atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } ::sumAvg: 4.975 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 469 76A-H N 7.605 ambi=1 { N:120.777 } ::sumAvg: 4.27 atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 477 77G-HA3 A 3.537 ambi=2 { CA:45.41 } ::sumAvg: 4.58 atom: 477 77G-HA3 A 3.537 ambi=2 { CA:45.41 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } ::sumAvg: 4.58 atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 480 78V-H N 7.286 ambi=1 { N:120.566 } ::sumAvg: 4.47 atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 4.27 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 470 76A-HA A 4.281 ambi=1 { CA:53.203 } ::sumAvg: 4.27 atom: 476 77G-HA2 A 3.96 ambi=2 { CA:45.41 } atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } :: atom: 477 77G-HA3 A 3.537 ambi=2 { CA:45.41 } atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } ::sumAvg: 4.285 atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } atom: 482 78V-HB B 0.822 ambi=2 { CB:33.59 } ::sumAvg: 4.11 atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } ::sumAvg: 4.185 atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } ::sumAvg: 4.185 atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } ::sumAvg: 3.405 atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } ::sumAvg: 3.405 atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 3.43 atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 4.145 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 471 76A-HB B 1.881 ambi=1 { CB:20.21 } ::sumAvg: 4.145 atom: 476 77G-HA2 A 3.96 ambi=2 { CA:45.41 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 476 77G-HA2 A 3.96 ambi=2 { CA:45.41 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } :: atom: 477 77G-HA3 A 3.537 ambi=2 { CA:45.41 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 477 77G-HA3 A 3.537 ambi=2 { CA:45.41 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 3.99 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 476 77G-HA2 A 3.96 ambi=2 { CA:45.41 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 476 77G-HA2 A 3.96 ambi=2 { CA:45.41 } :: atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 477 77G-HA3 A 3.537 ambi=2 { CA:45.41 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 477 77G-HA3 A 3.537 ambi=2 { CA:45.41 } ::sumAvg: 3.99 atom: 481 78V-HA A 3.804 ambi=1 { CA:60.736 } atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } ::sumAvg: 4.7 atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } atom: 481 78V-HA A 3.804 ambi=1 { CA:60.736 } ::sumAvg: 4.7 atom: 482 78V-HB B 0.822 ambi=2 { CB:33.59 } atom: 490 79T-HA A 4.145 ambi=1 { CA:61.395 } ::sumAvg: 4.925 atom: 490 79T-HA A 4.145 ambi=1 { CA:61.395 } atom: 482 78V-HB B 0.822 ambi=2 { CB:33.59 } ::sumAvg: 4.925 atom: 482 78V-HB B 0.822 ambi=2 { CB:33.59 } atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } ::sumAvg: 4.735 atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } atom: 482 78V-HB B 0.822 ambi=2 { CB:33.59 } ::sumAvg: 4.735 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 490 79T-HA A 4.145 ambi=1 { CA:61.395 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 490 79T-HA A 4.145 ambi=1 { CA:61.395 } ::sumAvg: 4.195 atom: 490 79T-HA A 4.145 ambi=1 { CA:61.395 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 490 79T-HA A 4.145 ambi=1 { CA:61.395 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 4.195 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 491 79T-HB B 3.972 ambi=1 { CB:69.62 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 491 79T-HB B 3.972 ambi=1 { CB:69.62 } ::sumAvg: 4.28 atom: 491 79T-HB B 3.972 ambi=1 { CB:69.62 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 491 79T-HB B 3.972 ambi=1 { CB:69.62 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 4.28 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } ::sumAvg: 3.785 atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 3.785 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 495 80A-H N 8.593 ambi=1 { N:126.311 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 495 80A-H N 8.593 ambi=1 { N:126.311 } ::sumAvg: 4.685 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } ::sumAvg: 4.135 atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 4.135 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 497 80A-HB B 1.556 ambi=1 { CB:19.18 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 497 80A-HB B 1.556 ambi=1 { CB:19.18 } ::sumAvg: 4.6 atom: 497 80A-HB B 1.556 ambi=1 { CB:19.18 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 497 80A-HB B 1.556 ambi=1 { CB:19.18 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 4.6 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } ::sumAvg: 4.84 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } :: atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } ::sumAvg: 4.19 atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } :: atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 4.19 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } :: atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 1035 87I-HG13 G1 1.508 ambi=2 { CG1:28.02 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 1035 87I-HG13 G1 1.508 ambi=2 { CG1:28.02 } ::sumAvg: 3.36 atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 1035 87I-HG13 G1 1.508 ambi=2 { CG1:28.02 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } :: atom: 1035 87I-HG13 G1 1.508 ambi=2 { CG1:28.02 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 3.36 atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } :: atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 4.465 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 4.465 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 483 78V-HG1 G1 -0.585 ambi=2 { CG1:19.204 } :: atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 7483 78V-HG2 G2 -0.249 ambi=2 { CG2:18.793 } ::sumAvg: 2.575 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 489 79T-H N 8.148 ambi=1 { N:121.617 } ::sumAvg: 4.985 atom: 490 79T-HA A 4.145 ambi=1 { CA:61.395 } atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } ::sumAvg: 4.35 atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } atom: 490 79T-HA A 4.145 ambi=1 { CA:61.395 } ::sumAvg: 4.35 atom: 490 79T-HA A 4.145 ambi=1 { CA:61.395 } atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } ::sumAvg: 4.555 atom: 491 79T-HB B 3.972 ambi=1 { CB:69.62 } atom: 497 80A-HB B 1.556 ambi=1 { CB:19.18 } ::sumAvg: 4.835 atom: 497 80A-HB B 1.556 ambi=1 { CB:19.18 } atom: 491 79T-HB B 3.972 ambi=1 { CB:69.62 } ::sumAvg: 4.835 atom: 491 79T-HB B 3.972 ambi=1 { CB:69.62 } atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } ::sumAvg: 4.44 atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } atom: 495 80A-H N 8.593 ambi=1 { N:126.311 } ::sumAvg: 3.18 atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } ::sumAvg: 4.905 atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } ::sumAvg: 4.905 atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } ::sumAvg: 3.8 atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 4.755 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 7491 79T-HG2 G2 1.24 ambi=1 { CG2:21.3 } ::sumAvg: 4.755 atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } atom: 495 80A-H N 8.593 ambi=1 { N:126.311 } :: atom: 1035 87I-HG13 G1 1.508 ambi=2 { CG1:28.02 } atom: 495 80A-H N 8.593 ambi=1 { N:126.311 } ::sumAvg: 4.965 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 495 80A-H N 8.593 ambi=1 { N:126.311 } ::sumAvg: 4.535 atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } ::sumAvg: 4.55 atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } ::sumAvg: 4.55 atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } ::sumAvg: 4.12 atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } ::sumAvg: 4.12 atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 3.98 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 496 80A-HA A 3.703 ambi=1 { CA:53.41 } ::sumAvg: 3.98 atom: 502 81S-HB2 B 3.702 ambi=2 { CB:62.68 } atom: 497 80A-HB B 1.556 ambi=1 { CB:19.18 } :: atom: 503 81S-HB3 B 4.074 ambi=2 { CB:62.68 } atom: 497 80A-HB B 1.556 ambi=1 { CB:19.18 } ::sumAvg: 4.345 atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } atom: 497 80A-HB B 1.556 ambi=1 { CB:19.18 } ::sumAvg: 4.585 atom: 497 80A-HB B 1.556 ambi=1 { CB:19.18 } atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } :: atom: 497 80A-HB B 1.556 ambi=1 { CB:19.18 } atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } ::sumAvg: 4.83 atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } atom: 497 80A-HB B 1.556 ambi=1 { CB:19.18 } ::sumAvg: 4.49 atom: 497 80A-HB B 1.556 ambi=1 { CB:19.18 } atom: 2565 89K-QE E 3.089 ambi=2 { CE:41.9 } ::sumAvg: 4.49 atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } ::sumAvg: 4.83 atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } ::sumAvg: 4.435 atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } :: atom: 1035 87I-HG13 G1 1.508 ambi=2 { CG1:28.02 } atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } ::sumAvg: 4.165 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 501 81S-H N 9.101 ambi=1 { N:114.816 } ::sumAvg: 3.095 atom: 503 81S-HB3 B 4.074 ambi=2 { CB:62.68 } atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } ::sumAvg: 3.77 atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } atom: 503 81S-HB3 B 4.074 ambi=2 { CB:62.68 } ::sumAvg: 3.77 atom: 502 81S-HB2 B 3.702 ambi=2 { CB:62.68 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } :: atom: 503 81S-HB3 B 4.074 ambi=2 { CB:62.68 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 4.26 atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } ::sumAvg: 4.625 atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } ::sumAvg: 4.625 atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } atom: 508 82P-HB2 B 2.483 ambi=2 { CB:30.48 } :: atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } atom: 509 82P-HB3 B 2.099 ambi=2 { CB:30.48 } ::sumAvg: 4.86 atom: 508 82P-HB2 B 2.483 ambi=2 { CB:30.48 } atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } :: atom: 509 82P-HB3 B 2.099 ambi=2 { CB:30.48 } atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } ::sumAvg: 4.86 atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } atom: 510 82P-HG2 G 2.223 ambi=2 { CG:27.808 } :: atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } atom: 511 82P-HG3 G 2.081 ambi=2 { CG:27.808 } ::sumAvg: 4.395 atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } ::sumAvg: 4.655 atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } :: atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } ::sumAvg: 4.655 atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 3.75 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 1502 81S-HA A 4.747 ambi=1 { CA:55.046 } ::sumAvg: 3.75 atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } atom: 510 82P-HG2 G 2.223 ambi=2 { CG:27.808 } :: atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } atom: 511 82P-HG3 G 2.081 ambi=2 { CG:27.808 } ::sumAvg: 3.315 atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } :: atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } ::sumAvg: 3.57 atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } :: atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } ::sumAvg: 3.57 atom: 517 83P-HB2 B 2.508 ambi=2 { CB:34.75 } atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } :: atom: 518 83P-HB3 B 2.461 ambi=2 { CB:34.75 } atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } ::sumAvg: 4.035 atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } atom: 5519 83P-HD2 D 3.664 ambi=2 { CD:49.83 } :: atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } atom: 5520 83P-HD3 D 3.816 ambi=2 { CD:49.83 } ::sumAvg: 4.225 atom: 5519 83P-HD2 D 3.664 ambi=2 { CD:49.83 } atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } :: atom: 5520 83P-HD3 D 3.816 ambi=2 { CD:49.83 } atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } ::sumAvg: 4.225 atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } ::sumAvg: 3.55 atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } atom: 507 82P-HA A 4.328 ambi=1 { CA:62.158 } ::sumAvg: 3.55 atom: 508 82P-HB2 B 2.483 ambi=2 { CB:30.48 } atom: 525 84T-H N 8.007 ambi=1 { N:114.629 } :: atom: 509 82P-HB3 B 2.099 ambi=2 { CB:30.48 } atom: 525 84T-H N 8.007 ambi=1 { N:114.629 } ::sumAvg: 3.25 atom: 508 82P-HB2 B 2.483 ambi=2 { CB:30.48 } atom: 526 84T-HA A 4.567 ambi=1 { CA:64.77 } :: atom: 509 82P-HB3 B 2.099 ambi=2 { CB:30.48 } atom: 526 84T-HA A 4.567 ambi=1 { CA:64.77 } ::sumAvg: 4.63 atom: 508 82P-HB2 B 2.483 ambi=2 { CB:30.48 } atom: 527 84T-HB B 4.406 ambi=1 { CB:69.37 } :: atom: 509 82P-HB3 B 2.099 ambi=2 { CB:30.48 } atom: 527 84T-HB B 4.406 ambi=1 { CB:69.37 } ::sumAvg: 4.955 atom: 527 84T-HB B 4.406 ambi=1 { CB:69.37 } atom: 508 82P-HB2 B 2.483 ambi=2 { CB:30.48 } :: atom: 527 84T-HB B 4.406 ambi=1 { CB:69.37 } atom: 509 82P-HB3 B 2.099 ambi=2 { CB:30.48 } ::sumAvg: 4.955 atom: 508 82P-HB2 B 2.483 ambi=2 { CB:30.48 } atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } :: atom: 509 82P-HB3 B 2.099 ambi=2 { CB:30.48 } atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } ::sumAvg: 3.635 atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } atom: 508 82P-HB2 B 2.483 ambi=2 { CB:30.48 } :: atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } atom: 509 82P-HB3 B 2.099 ambi=2 { CB:30.48 } ::sumAvg: 3.635 atom: 508 82P-HB2 B 2.483 ambi=2 { CB:30.48 } atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } :: atom: 509 82P-HB3 B 2.099 ambi=2 { CB:30.48 } atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } ::sumAvg: 3.96 atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } atom: 510 82P-HG2 G 2.223 ambi=2 { CG:27.808 } :: atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } atom: 511 82P-HG3 G 2.081 ambi=2 { CG:27.808 } ::sumAvg: 4.935 atom: 510 82P-HG2 G 2.223 ambi=2 { CG:27.808 } atom: 525 84T-H N 8.007 ambi=1 { N:114.629 } :: atom: 511 82P-HG3 G 2.081 ambi=2 { CG:27.808 } atom: 525 84T-H N 8.007 ambi=1 { N:114.629 } ::sumAvg: 4.215 atom: 510 82P-HG2 G 2.223 ambi=2 { CG:27.808 } atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } :: atom: 511 82P-HG3 G 2.081 ambi=2 { CG:27.808 } atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } ::sumAvg: 4.665 atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } atom: 510 82P-HG2 G 2.223 ambi=2 { CG:27.808 } :: atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } atom: 511 82P-HG3 G 2.081 ambi=2 { CG:27.808 } ::sumAvg: 4.665 atom: 510 82P-HG2 G 2.223 ambi=2 { CG:27.808 } atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } :: atom: 511 82P-HG3 G 2.081 ambi=2 { CG:27.808 } atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } ::sumAvg: 4.105 atom: 511 82P-HG3 G 2.081 ambi=2 { CG:27.808 } atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } ::sumAvg: 4.505 atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } atom: 511 82P-HG3 G 2.081 ambi=2 { CG:27.808 } ::sumAvg: 4.505 atom: 510 82P-HG2 G 2.223 ambi=2 { CG:27.808 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 510 82P-HG2 G 2.223 ambi=2 { CG:27.808 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } :: atom: 511 82P-HG3 G 2.081 ambi=2 { CG:27.808 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 511 82P-HG3 G 2.081 ambi=2 { CG:27.808 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } ::sumAvg: 4.865 atom: 510 82P-HG2 G 2.223 ambi=2 { CG:27.808 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } :: atom: 511 82P-HG3 G 2.081 ambi=2 { CG:27.808 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 3.72 atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } :: atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } ::sumAvg: 4.45 atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } :: atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } ::sumAvg: 4.175 atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } :: atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } ::sumAvg: 4.175 atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } :: atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } :: atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } ::sumAvg: 4.205 atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } :: atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } :: atom: 7540 86L-HD1 D1 0.603 ambi=2 { CD1:24.99 } atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } :: atom: 7541 86L-HD2 D2 0.928 ambi=2 { CD2:22.31 } atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } ::sumAvg: 4.205 atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } atom: 545 87I-H N 8.691 ambi=1 { N:119.475 } :: atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } atom: 545 87I-H N 8.691 ambi=1 { N:119.475 } ::sumAvg: 4.61 atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } :: atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 3.44 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 5510 82P-HD2 D 3.59 ambi=2 { CD:49.9 } :: atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 5511 82P-HD3 D 3.85 ambi=2 { CD:49.9 } ::sumAvg: 3.44 atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } atom: 519 83P-HG2 G 1.938 ambi=2 { CG:24.05 } :: atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } atom: 520 83P-HG3 G 2.146 ambi=2 { CG:24.05 } ::sumAvg: 3.4 atom: 519 83P-HG2 G 1.938 ambi=2 { CG:24.05 } atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } :: atom: 520 83P-HG3 G 2.146 ambi=2 { CG:24.05 } atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } ::sumAvg: 3.4 atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } atom: 5519 83P-HD2 D 3.664 ambi=2 { CD:49.83 } :: atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } atom: 5520 83P-HD3 D 3.816 ambi=2 { CD:49.83 } ::sumAvg: 3.175 atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } atom: 525 84T-H N 8.007 ambi=1 { N:114.629 } ::sumAvg: 2.865 atom: 516 83P-HA A 4.821 ambi=1 { CA:64.384 } atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } ::sumAvg: 4.16 atom: 517 83P-HB2 B 2.508 ambi=2 { CB:34.75 } atom: 525 84T-H N 8.007 ambi=1 { N:114.629 } :: atom: 518 83P-HB3 B 2.461 ambi=2 { CB:34.75 } atom: 525 84T-H N 8.007 ambi=1 { N:114.629 } ::sumAvg: 3.14 atom: 517 83P-HB2 B 2.508 ambi=2 { CB:34.75 } atom: 526 84T-HA A 4.567 ambi=1 { CA:64.77 } :: atom: 518 83P-HB3 B 2.461 ambi=2 { CB:34.75 } atom: 526 84T-HA A 4.567 ambi=1 { CA:64.77 } ::sumAvg: 4.715 atom: 517 83P-HB2 B 2.508 ambi=2 { CB:34.75 } atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } :: atom: 518 83P-HB3 B 2.461 ambi=2 { CB:34.75 } atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } ::sumAvg: 4.12 atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } atom: 517 83P-HB2 B 2.508 ambi=2 { CB:34.75 } :: atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } atom: 518 83P-HB3 B 2.461 ambi=2 { CB:34.75 } ::sumAvg: 4.12 atom: 519 83P-HG2 G 1.938 ambi=2 { CG:24.05 } atom: 525 84T-H N 8.007 ambi=1 { N:114.629 } :: atom: 520 83P-HG3 G 2.146 ambi=2 { CG:24.05 } atom: 525 84T-H N 8.007 ambi=1 { N:114.629 } ::sumAvg: 4.64 atom: 527 84T-HB B 4.406 ambi=1 { CB:69.37 } atom: 525 84T-H N 8.007 ambi=1 { N:114.629 } ::sumAvg: 3.235 atom: 526 84T-HA A 4.567 ambi=1 { CA:64.77 } atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } ::sumAvg: 3.17 atom: 526 84T-HA A 4.567 ambi=1 { CA:64.77 } atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } ::sumAvg: 4.605 atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } atom: 526 84T-HA A 4.567 ambi=1 { CA:64.77 } ::sumAvg: 4.605 atom: 527 84T-HB B 4.406 ambi=1 { CB:69.37 } atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } ::sumAvg: 3.445 atom: 527 84T-HB B 4.406 ambi=1 { CB:69.37 } atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } ::sumAvg: 4.99 atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } atom: 527 84T-HB B 4.406 ambi=1 { CB:69.37 } ::sumAvg: 4.99 atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } ::sumAvg: 4.44 atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } ::sumAvg: 4.44 atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } :: atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } ::sumAvg: 4.31 atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } :: atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } ::sumAvg: 4.31 atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 4.59 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 7527 84T-HG2 G2 1.395 ambi=1 { CG2:21.51 } ::sumAvg: 4.59 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 531 85D-H N 7.952 ambi=1 { N:124.539 } ::sumAvg: 4.455 atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } ::sumAvg: 4.49 atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } ::sumAvg: 4.49 atom: 540 86L-HB2 B 1.467 ambi=2 { CB:44.07 } atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } :: atom: 541 86L-HB3 B 1.539 ambi=2 { CB:44.07 } atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } ::sumAvg: 4.515 atom: 7539 86L-HG G 1.452 ambi=1 { CG:26.99 } atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } ::sumAvg: 4.015 atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 4.995 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 532 85D-HA A 5.95 ambi=1 { CA:54.11 } ::sumAvg: 4.995 atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } atom: 538 86L-H N 9.271 ambi=1 { N:124.265 } :: atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } atom: 538 86L-H N 9.271 ambi=1 { N:124.265 } ::sumAvg: 2.81 atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } :: atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } ::sumAvg: 4.845 atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } :: atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } ::sumAvg: 4.845 atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } :: atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 3.265 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 533 85D-HB2 B 2.582 ambi=2 { CB:43.51 } :: atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 534 85D-HB3 B 2.335 ambi=2 { CB:43.51 } ::sumAvg: 3.265 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 538 86L-H N 9.271 ambi=1 { N:124.265 } ::sumAvg: 3.845 atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } ::sumAvg: 4.545 atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } ::sumAvg: 4.545 atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 2.92 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 539 86L-HA A 4.953 ambi=1 { CA:52.23 } ::sumAvg: 2.92 atom: 540 86L-HB2 B 1.467 ambi=2 { CB:44.07 } atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } :: atom: 541 86L-HB3 B 1.539 ambi=2 { CB:44.07 } atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } ::sumAvg: 4.78 atom: 540 86L-HB2 B 1.467 ambi=2 { CB:44.07 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } :: atom: 541 86L-HB3 B 1.539 ambi=2 { CB:44.07 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 4.6 atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } atom: 545 87I-H N 8.691 ambi=1 { N:119.475 } ::sumAvg: 2.905 atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } ::sumAvg: 2.73 atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.45 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 546 87I-HA A 4.802 ambi=1 { CA:58.694 } ::sumAvg: 4.45 atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 4.365 atom: 2561 89K-HG2 G 1.521 ambi=2 { CG:24.9 } atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } :: atom: 2562 89K-HG3 G 1.666 ambi=2 { CG:24.9 } atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } ::sumAvg: 4.235 atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } atom: 2565 89K-QE E 3.089 ambi=2 { CE:41.9 } ::sumAvg: 4.38 atom: 2565 89K-QE E 3.089 ambi=2 { CE:41.9 } atom: 547 87I-HB B 2.073 ambi=1 { CB:37.945 } ::sumAvg: 4.38 atom: 1034 87I-HG12 G1 1.436 ambi=2 { CG1:28.02 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } :: atom: 1035 87I-HG13 G1 1.508 ambi=2 { CG1:28.02 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 4.26 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } ::sumAvg: 4.015 atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 4.015 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.405 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 4.405 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 559 89K-HA A 3.996 ambi=1 { CA:58.847 } ::sumAvg: 3.34 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 560 89K-HB2 B 1.913 ambi=2 { CB:32.36 } :: atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } ::sumAvg: 3.665 atom: 560 89K-HB2 B 1.913 ambi=2 { CB:32.36 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } :: atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 3.665 atom: 2561 89K-HG2 G 1.521 ambi=2 { CG:24.9 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } :: atom: 2562 89K-HG3 G 1.666 ambi=2 { CG:24.9 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 2.815 atom: 2563 89K-QD D 1.818 ambi=2 { CD:29.12 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 3.63 atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } atom: 2565 89K-QE E 3.089 ambi=2 { CE:41.9 } ::sumAvg: 3.835 atom: 2565 89K-QE E 3.089 ambi=2 { CE:41.9 } atom: 1036 87I-HG2 G2 0.957 ambi=1 { CG2:17.389 } ::sumAvg: 3.835 atom: 1037 87I-HD1 D1 0.703 ambi=1 { CD1:10.495 } atom: 551 88W-H N 9.755 ambi=1 { N:132.61 } ::sumAvg: 4.53 atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } ::sumAvg: 4.83 atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } ::sumAvg: 4.725 atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } atom: 559 89K-HA A 3.996 ambi=1 { CA:58.847 } ::sumAvg: 4.48 atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } atom: 560 89K-HB2 B 1.913 ambi=2 { CB:32.36 } :: atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } ::sumAvg: 4.57 atom: 560 89K-HB2 B 1.913 ambi=2 { CB:32.36 } atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } :: atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } ::sumAvg: 4.57 atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } :: atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } ::sumAvg: 4.975 atom: 552 88W-HA A 4.918 ambi=1 { CA:54.9 } atom: 572 91Q-H N 7.546 ambi=1 { N:117.746 } ::sumAvg: 4.935 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 559 89K-HA A 3.996 ambi=1 { CA:58.847 } ::sumAvg: 4.885 atom: 559 89K-HA A 3.996 ambi=1 { CA:58.847 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } ::sumAvg: 4.885 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } ::sumAvg: 4.365 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 572 91Q-H N 7.546 ambi=1 { N:117.746 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 572 91Q-H N 7.546 ambi=1 { N:117.746 } ::sumAvg: 4.215 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } :: atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } ::sumAvg: 4.73 atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } :: atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } :: atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } ::sumAvg: 4.73 atom: 553 88W-HB2 B 2.647 ambi=2 { CB:27.27 } atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } :: atom: 554 88W-HB3 B 3.726 ambi=2 { CB:27.27 } atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } ::sumAvg: 4.745 atom: 566 90N-HA A 4.434 ambi=1 { CA:54.01 } atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } ::sumAvg: 4.95 atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } :: atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } atom: 1101 88W-HE1 E1 9.907 ambi=1 { NE1:127.4 } ::sumAvg: 4.36 atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } :: atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } ::sumAvg: 3.915 atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } :: atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } atom: 1103 88W-HZ2 Z2 6.989 ambi=1 { CZ2:115.1 } ::sumAvg: 4.475 atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } :: atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } atom: 1104 88W-HH2 H2 6.72 ambi=1 { CH2:123.8 } ::sumAvg: 4.725 atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } :: atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } ::sumAvg: 4.815 atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } :: atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } atom: 1105 88W-HZ3 Z3 6.388 ambi=1 { CZ3:119.8 } ::sumAvg: 4.98 atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } :: atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } atom: 1106 88W-HE3 E3 7.2 ambi=1 { CE3:124.4 } ::sumAvg: 4.665 atom: 2563 89K-QD D 1.818 ambi=2 { CD:29.12 } atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } ::sumAvg: 4.18 atom: 2565 89K-QE E 3.089 ambi=2 { CE:41.9 } atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } ::sumAvg: 4.75 atom: 566 90N-HA A 4.434 ambi=1 { CA:54.01 } atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } ::sumAvg: 4.995 atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } :: atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } atom: 558 89K-H N 8.282 ambi=1 { N:125.513 } ::sumAvg: 4.71 atom: 559 89K-HA A 3.996 ambi=1 { CA:58.847 } atom: 2561 89K-HG2 G 1.521 ambi=2 { CG:24.9 } :: atom: 559 89K-HA A 3.996 ambi=1 { CA:58.847 } atom: 2562 89K-HG3 G 1.666 ambi=2 { CG:24.9 } ::sumAvg: 2.52 atom: 559 89K-HA A 3.996 ambi=1 { CA:58.847 } atom: 2563 89K-QD D 1.818 ambi=2 { CD:29.12 } ::sumAvg: 4.075 atom: 559 89K-HA A 3.996 ambi=1 { CA:58.847 } atom: 2565 89K-QE E 3.089 ambi=2 { CE:41.9 } ::sumAvg: 4.425 atom: 2565 89K-QE E 3.089 ambi=2 { CE:41.9 } atom: 559 89K-HA A 3.996 ambi=1 { CA:58.847 } ::sumAvg: 4.425 atom: 2565 89K-QE E 3.089 ambi=2 { CE:41.9 } atom: 560 89K-HB2 B 1.913 ambi=2 { CB:32.36 } :: atom: 2565 89K-QE E 3.089 ambi=2 { CE:41.9 } atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } ::sumAvg: 3 atom: 560 89K-HB2 B 1.913 ambi=2 { CB:32.36 } atom: 566 90N-HA A 4.434 ambi=1 { CA:54.01 } :: atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } atom: 566 90N-HA A 4.434 ambi=1 { CA:54.01 } ::sumAvg: 4.53 atom: 566 90N-HA A 4.434 ambi=1 { CA:54.01 } atom: 560 89K-HB2 B 1.913 ambi=2 { CB:32.36 } :: atom: 566 90N-HA A 4.434 ambi=1 { CA:54.01 } atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } ::sumAvg: 4.53 atom: 560 89K-HB2 B 1.913 ambi=2 { CB:32.36 } atom: 2901 90N-HD21 D2 7.033 ambi=2 { ND2:113 } :: atom: 560 89K-HB2 B 1.913 ambi=2 { CB:32.36 } atom: 2902 90N-HD22 D2 7.676 ambi=2 { ND2:113 } :: atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } atom: 2901 90N-HD21 D2 7.033 ambi=2 { ND2:113 } :: atom: 561 89K-HB3 B 2.015 ambi=2 { CB:32.36 } atom: 2902 90N-HD22 D2 7.676 ambi=2 { ND2:113 } ::sumAvg: 4.845 atom: 2561 89K-HG2 G 1.521 ambi=2 { CG:24.9 } atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } :: atom: 2562 89K-HG3 G 1.666 ambi=2 { CG:24.9 } atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } ::sumAvg: 4.735 atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } ::sumAvg: 4.995 atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } :: atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } atom: 565 90N-H N 8.81 ambi=1 { N:114.946 } ::sumAvg: 4.705 atom: 566 90N-HA A 4.434 ambi=1 { CA:54.01 } atom: 2901 90N-HD21 D2 7.033 ambi=2 { ND2:113 } :: atom: 566 90N-HA A 4.434 ambi=1 { CA:54.01 } atom: 2902 90N-HD22 D2 7.676 ambi=2 { ND2:113 } ::sumAvg: 2.94 atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } :: atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } :: atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } :: atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } ::sumAvg: 3.88 atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } :: atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } atom: 567 90N-HB2 B 3.069 ambi=2 { CB:37.77 } :: atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } :: atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } atom: 568 90N-HB3 B 3.048 ambi=2 { CB:37.77 } ::sumAvg: 3.88 atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } atom: 572 91Q-H N 7.546 ambi=1 { N:117.746 } :: atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } atom: 572 91Q-H N 7.546 ambi=1 { N:117.746 } ::sumAvg: 4.57 atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } atom: 572 91Q-H N 7.546 ambi=1 { N:117.746 } ::sumAvg: 4.855 atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } atom: 578 91Q-HE21 E2 6.78 ambi=2 { NE2:113 } :: atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } atom: 579 91Q-HE22 E2 7.408 ambi=2 { NE2:113 } ::sumAvg: 4.02 atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } ::sumAvg: 4.35 atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } ::sumAvg: 4.35 atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } :: atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } ::sumAvg: 4.67 atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } :: atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } ::sumAvg: 4.67 atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } atom: 901 92N-HD21 D2 6.675 ambi=2 { ND2:110 } :: atom: 573 91Q-HA A 4.412 ambi=1 { CA:53.52 } atom: 902 92N-HD22 D2 7.399 ambi=2 { ND2:110 } ::sumAvg: 4.59 atom: 574 91Q-HB2 B 0.929 ambi=2 { CB:28.47 } atom: 585 92N-H N 8.451 ambi=1 { N:123.697 } :: atom: 575 91Q-HB3 B 1.22 ambi=2 { CB:28.47 } atom: 585 92N-H N 8.451 ambi=1 { N:123.697 } ::sumAvg: 3.885 atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } :: atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } ::sumAvg: 4.87 atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } :: atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } ::sumAvg: 4.87 atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } :: atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } :: atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } :: atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } ::sumAvg: 4.595 atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } :: atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } :: atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } :: atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } ::sumAvg: 4.595 atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } atom: 592 93S-H N 9.337 ambi=1 { N:117.01 } :: atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } atom: 592 93S-H N 9.337 ambi=1 { N:117.01 } ::sumAvg: 4.9 atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } :: atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } :: atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } :: atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } ::sumAvg: 4.675 atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } :: atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } :: atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } :: atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } ::sumAvg: 4.675 atom: 576 91Q-HG2 G 0.784 ambi=2 { CG:31.692 } atom: 946 94W-HE3 E3 7.066 ambi=1 {attached_atom is not_assigned} :: atom: 577 91Q-HG3 G 1.373 ambi=2 { CG:31.692 } atom: 946 94W-HE3 E3 7.066 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.255 atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } atom: 578 91Q-HE21 E2 6.78 ambi=2 { NE2:113 } :: atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } atom: 578 91Q-HE21 E2 6.78 ambi=2 { NE2:113 } :: atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } atom: 579 91Q-HE22 E2 7.408 ambi=2 { NE2:113 } :: atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } atom: 579 91Q-HE22 E2 7.408 ambi=2 { NE2:113 } ::sumAvg: 4.325 atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } atom: 901 92N-HD21 D2 6.675 ambi=2 { ND2:110 } :: atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } atom: 902 92N-HD22 D2 7.399 ambi=2 { ND2:110 } ::sumAvg: 3.17 atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } atom: 593 93S-HA A 3.977 ambi=1 { CA:58.94 } ::sumAvg: 4.525 atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } :: atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } ::sumAvg: 4.835 atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } :: atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } atom: 586 92N-HA A 4.876 ambi=1 { CA:52.08 } ::sumAvg: 4.835 atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } :: atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } :: atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } :: atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } ::sumAvg: 4.31 atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } :: atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } atom: 587 92N-HB2 B 2.723 ambi=2 { CB:39.4 } :: atom: 594 93S-HB2 B 3.736 ambi=2 { CB:62.94 } atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } :: atom: 595 93S-HB3 B 3.516 ambi=2 { CB:62.94 } atom: 588 92N-HB3 B 2.93 ambi=2 { CB:39.4 } ::sumAvg: 4.31 atom: 600 94W-HA A 4.905 ambi=1 { CA:56.77 } atom: 593 93S-HA A 3.977 ambi=1 { CA:58.94 } ::sumAvg: 4.77 atom: 593 93S-HA A 3.977 ambi=1 { CA:58.94 } atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } :: atom: 593 93S-HA A 3.977 ambi=1 { CA:58.94 } atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } ::sumAvg: 4.61 atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } atom: 593 93S-HA A 3.977 ambi=1 { CA:58.94 } :: atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } atom: 593 93S-HA A 3.977 ambi=1 { CA:58.94 } ::sumAvg: 4.61 atom: 593 93S-HA A 3.977 ambi=1 { CA:58.94 } atom: 944 94W-HZ3 Z3 7.02 ambi=1 { CZ3:120 } ::sumAvg: 3.98 atom: 593 93S-HA A 3.977 ambi=1 { CA:58.94 } atom: 946 94W-HE3 E3 7.066 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.305 atom: 600 94W-HA A 4.905 ambi=1 { CA:56.77 } atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } ::sumAvg: 4.5 atom: 600 94W-HA A 4.905 ambi=1 { CA:56.77 } atom: 946 94W-HE3 E3 7.066 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.245 atom: 600 94W-HA A 4.905 ambi=1 { CA:56.77 } atom: 607 95G-HA2 A 3.953 ambi=2 { CA:45.487 } :: atom: 600 94W-HA A 4.905 ambi=1 { CA:56.77 } atom: 608 95G-HA3 A 3.763 ambi=2 { CA:45.487 } ::sumAvg: 4.68 atom: 607 95G-HA2 A 3.953 ambi=2 { CA:45.487 } atom: 600 94W-HA A 4.905 ambi=1 { CA:56.77 } :: atom: 608 95G-HA3 A 3.763 ambi=2 { CA:45.487 } atom: 600 94W-HA A 4.905 ambi=1 { CA:56.77 } ::sumAvg: 4.68 atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } atom: 938 94W-HE1 E1 10.53 ambi=1 { NE1:131.6 } :: atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } atom: 938 94W-HE1 E1 10.53 ambi=1 { NE1:131.6 } ::sumAvg: 4.805 atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } atom: 606 95G-H N 7.795 ambi=1 { N:109.481 } :: atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } atom: 606 95G-H N 7.795 ambi=1 { N:109.481 } ::sumAvg: 3.255 atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } atom: 607 95G-HA2 A 3.953 ambi=2 { CA:45.487 } :: atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } atom: 607 95G-HA2 A 3.953 ambi=2 { CA:45.487 } :: atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } atom: 608 95G-HA3 A 3.763 ambi=2 { CA:45.487 } ::sumAvg: 4.75 atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } atom: 611 96T-H N 8.028 ambi=1 { N:112.538 } :: atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } atom: 611 96T-H N 8.028 ambi=1 { N:112.538 } ::sumAvg: 4.77 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 601 94W-HB2 B 3.426 ambi=2 { CB:27.9 } :: atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 602 94W-HB3 B 2.941 ambi=2 { CB:27.9 } ::sumAvg: 4.415 atom: 607 95G-HA2 A 3.953 ambi=2 { CA:45.487 } atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } :: atom: 608 95G-HA3 A 3.763 ambi=2 { CA:45.487 } atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } ::sumAvg: 3.815 atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } ::sumAvg: 4.205 atom: 641 100V-HB B 1.973 ambi=1 { CB:34.15 } atom: 936 94W-HD1 D1 7.065 ambi=1 { CD1:128 } ::sumAvg: 4.325 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 938 94W-HE1 E1 10.53 ambi=1 { NE1:131.6 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 938 94W-HE1 E1 10.53 ambi=1 { NE1:131.6 } ::sumAvg: 3.235 atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } atom: 938 94W-HE1 E1 10.53 ambi=1 { NE1:131.6 } ::sumAvg: 3.92 atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } atom: 940 94W-HZ2 Z2 7.064 ambi=1 { CZ2:113.4 } ::sumAvg: 4.96 atom: 612 96T-HA A 4.696 ambi=1 { CA:60.88 } atom: 606 95G-H N 7.795 ambi=1 { N:109.481 } ::sumAvg: 4.89 atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } atom: 606 95G-H N 7.795 ambi=1 { N:109.481 } ::sumAvg: 4.39 atom: 607 95G-HA2 A 3.953 ambi=2 { CA:45.487 } atom: 612 96T-HA A 4.696 ambi=1 { CA:60.88 } :: atom: 608 95G-HA3 A 3.763 ambi=2 { CA:45.487 } atom: 612 96T-HA A 4.696 ambi=1 { CA:60.88 } ::sumAvg: 4.605 atom: 612 96T-HA A 4.696 ambi=1 { CA:60.88 } atom: 607 95G-HA2 A 3.953 ambi=2 { CA:45.487 } :: atom: 612 96T-HA A 4.696 ambi=1 { CA:60.88 } atom: 608 95G-HA3 A 3.763 ambi=2 { CA:45.487 } ::sumAvg: 4.605 atom: 607 95G-HA2 A 3.953 ambi=2 { CA:45.487 } atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } :: atom: 608 95G-HA3 A 3.763 ambi=2 { CA:45.487 } atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } ::sumAvg: 4.47 atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } atom: 607 95G-HA2 A 3.953 ambi=2 { CA:45.487 } :: atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } atom: 608 95G-HA3 A 3.763 ambi=2 { CA:45.487 } ::sumAvg: 4.47 atom: 612 96T-HA A 4.696 ambi=1 { CA:60.88 } atom: 618 97G-HA2 A 3.482 ambi=2 { CA:45.945 } :: atom: 612 96T-HA A 4.696 ambi=1 { CA:60.88 } atom: 619 97G-HA3 A 3.862 ambi=2 { CA:45.945 } ::sumAvg: 4.635 atom: 618 97G-HA2 A 3.482 ambi=2 { CA:45.945 } atom: 612 96T-HA A 4.696 ambi=1 { CA:60.88 } :: atom: 619 97G-HA3 A 3.862 ambi=2 { CA:45.945 } atom: 612 96T-HA A 4.696 ambi=1 { CA:60.88 } ::sumAvg: 4.635 atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } atom: 618 97G-HA2 A 3.482 ambi=2 { CA:45.945 } :: atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } atom: 619 97G-HA3 A 3.862 ambi=2 { CA:45.945 } ::sumAvg: 4.4 atom: 618 97G-HA2 A 3.482 ambi=2 { CA:45.945 } atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } :: atom: 619 97G-HA3 A 3.862 ambi=2 { CA:45.945 } atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } ::sumAvg: 4.4 atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } atom: 624 98E-HB2 B 1.87 ambi=2 { CB:30.719 } :: atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } atom: 625 98E-HB3 B 1.973 ambi=2 { CB:30.719 } ::sumAvg: 4.355 atom: 624 98E-HB2 B 1.87 ambi=2 { CB:30.719 } atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } :: atom: 625 98E-HB3 B 1.973 ambi=2 { CB:30.719 } atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } ::sumAvg: 4.355 atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } atom: 626 98E-HG2 G 2.414 ambi=2 { CG:33.35 } :: atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } atom: 627 98E-HG3 G 2.21 ambi=2 { CG:33.35 } ::sumAvg: 4.645 atom: 626 98E-HG2 G 2.414 ambi=2 { CG:33.35 } atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } :: atom: 627 98E-HG3 G 2.21 ambi=2 { CG:33.35 } atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } ::sumAvg: 4.645 atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } ::sumAvg: 4.615 atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 2613 96T-HG2 G2 1.174 ambi=1 { CG2:20.688 } ::sumAvg: 4.615 atom: 626 98E-HG2 G 2.414 ambi=2 { CG:33.35 } atom: 617 97G-H N 8.443 ambi=1 { N:111.464 } :: atom: 627 98E-HG3 G 2.21 ambi=2 { CG:33.35 } atom: 617 97G-H N 8.443 ambi=1 { N:111.464 } ::sumAvg: 4.445 atom: 618 97G-HA2 A 3.482 ambi=2 { CA:45.945 } atom: 623 98E-HA A 4.471 ambi=1 { CA:54.73 } :: atom: 619 97G-HA3 A 3.862 ambi=2 { CA:45.945 } atom: 623 98E-HA A 4.471 ambi=1 { CA:54.73 } ::sumAvg: 4.4 atom: 623 98E-HA A 4.471 ambi=1 { CA:54.73 } atom: 618 97G-HA2 A 3.482 ambi=2 { CA:45.945 } :: atom: 623 98E-HA A 4.471 ambi=1 { CA:54.73 } atom: 619 97G-HA3 A 3.862 ambi=2 { CA:45.945 } ::sumAvg: 4.4 atom: 618 97G-HA2 A 3.482 ambi=2 { CA:45.945 } atom: 626 98E-HG2 G 2.414 ambi=2 { CG:33.35 } :: atom: 618 97G-HA2 A 3.482 ambi=2 { CA:45.945 } atom: 627 98E-HG3 G 2.21 ambi=2 { CG:33.35 } :: atom: 619 97G-HA3 A 3.862 ambi=2 { CA:45.945 } atom: 626 98E-HG2 G 2.414 ambi=2 { CG:33.35 } :: atom: 619 97G-HA3 A 3.862 ambi=2 { CA:45.945 } atom: 627 98E-HG3 G 2.21 ambi=2 { CG:33.35 } ::sumAvg: 4.21 atom: 626 98E-HG2 G 2.414 ambi=2 { CG:33.35 } atom: 618 97G-HA2 A 3.482 ambi=2 { CA:45.945 } :: atom: 627 98E-HG3 G 2.21 ambi=2 { CG:33.35 } atom: 618 97G-HA2 A 3.482 ambi=2 { CA:45.945 } :: atom: 626 98E-HG2 G 2.414 ambi=2 { CG:33.35 } atom: 619 97G-HA3 A 3.862 ambi=2 { CA:45.945 } :: atom: 627 98E-HG3 G 2.21 ambi=2 { CG:33.35 } atom: 619 97G-HA3 A 3.862 ambi=2 { CA:45.945 } ::sumAvg: 4.21 atom: 626 98E-HG2 G 2.414 ambi=2 { CG:33.35 } atom: 622 98E-H N 8.01 ambi=1 { N:118.563 } :: atom: 627 98E-HG3 G 2.21 ambi=2 { CG:33.35 } atom: 622 98E-H N 8.01 ambi=1 { N:118.563 } ::sumAvg: 2.55 atom: 623 98E-HA A 4.471 ambi=1 { CA:54.73 } atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } :: atom: 623 98E-HA A 4.471 ambi=1 { CA:54.73 } atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } ::sumAvg: 4.455 atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } atom: 623 98E-HA A 4.471 ambi=1 { CA:54.73 } :: atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } atom: 623 98E-HA A 4.471 ambi=1 { CA:54.73 } ::sumAvg: 4.455 atom: 624 98E-HB2 B 1.87 ambi=2 { CB:30.719 } atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } :: atom: 624 98E-HB2 B 1.87 ambi=2 { CB:30.719 } atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } :: atom: 625 98E-HB3 B 1.973 ambi=2 { CB:30.719 } atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } :: atom: 625 98E-HB3 B 1.973 ambi=2 { CB:30.719 } atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } ::sumAvg: 4.615 atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } atom: 624 98E-HB2 B 1.87 ambi=2 { CB:30.719 } :: atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } atom: 624 98E-HB2 B 1.87 ambi=2 { CB:30.719 } :: atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } atom: 625 98E-HB3 B 1.973 ambi=2 { CB:30.719 } :: atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } atom: 625 98E-HB3 B 1.973 ambi=2 { CB:30.719 } ::sumAvg: 4.615 atom: 624 98E-HB2 B 1.87 ambi=2 { CB:30.719 } atom: 639 100V-H N 8.215 ambi=1 { N:123.901 } :: atom: 625 98E-HB3 B 1.973 ambi=2 { CB:30.719 } atom: 639 100V-H N 8.215 ambi=1 { N:123.901 } ::sumAvg: 4.645 atom: 626 98E-HG2 G 2.414 ambi=2 { CG:33.35 } atom: 632 99D-H N 8.68 ambi=1 { N:122.219 } :: atom: 627 98E-HG3 G 2.21 ambi=2 { CG:33.35 } atom: 632 99D-H N 8.68 ambi=1 { N:122.219 } ::sumAvg: 4.745 atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } atom: 632 99D-H N 8.68 ambi=1 { N:122.219 } ::sumAvg: 2.585 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 632 99D-H N 8.68 ambi=1 { N:122.219 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 632 99D-H N 8.68 ambi=1 { N:122.219 } ::sumAvg: 4.95 atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } atom: 641 100V-HB B 1.973 ambi=1 { CB:34.15 } ::sumAvg: 4.95 atom: 641 100V-HB B 1.973 ambi=1 { CB:34.15 } atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } ::sumAvg: 4.95 atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } :: atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } ::sumAvg: 3.72 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } ::sumAvg: 3.72 atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } ::sumAvg: 4.585 atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } :: atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } ::sumAvg: 4.585 atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } atom: 803 117T-H N 8.801 ambi=1 { N:116.435 } ::sumAvg: 4.625 atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } ::sumAvg: 4.64 atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } atom: 633 99D-HA A 4.612 ambi=1 { CA:54.451 } ::sumAvg: 4.64 atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } atom: 640 100V-HA A 4.495 ambi=1 { CA:60.92 } :: atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } atom: 640 100V-HA A 4.495 ambi=1 { CA:60.92 } ::sumAvg: 4.8 atom: 640 100V-HA A 4.495 ambi=1 { CA:60.92 } atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } :: atom: 640 100V-HA A 4.495 ambi=1 { CA:60.92 } atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } ::sumAvg: 4.8 atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } :: atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } ::sumAvg: 4.9 atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } :: atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } ::sumAvg: 4.335 atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } :: atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } ::sumAvg: 4.335 atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } :: atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } ::sumAvg: 4.165 atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } :: atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } :: atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } :: atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } ::sumAvg: 4.165 atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } atom: 803 117T-H N 8.801 ambi=1 { N:116.435 } :: atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } atom: 803 117T-H N 8.801 ambi=1 { N:116.435 } ::sumAvg: 4.755 atom: 634 99D-HB2 B 2.607 ambi=2 { CB:39.54 } atom: 860 119F-QD D 7.268 ambi=3 { CD1:131.8 } :: atom: 635 99D-HB3 B 2.772 ambi=2 { CB:39.54 } atom: 860 119F-QD D 7.268 ambi=3 { CD1:131.8 } ::sumAvg: 4.605 atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } atom: 639 100V-H N 8.215 ambi=1 { N:123.901 } :: atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } atom: 639 100V-H N 8.215 ambi=1 { N:123.901 } ::sumAvg: 4.49 atom: 640 100V-HA A 4.495 ambi=1 { CA:60.92 } atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } ::sumAvg: 4.43 atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } atom: 640 100V-HA A 4.495 ambi=1 { CA:60.92 } ::sumAvg: 4.43 atom: 640 100V-HA A 4.495 ambi=1 { CA:60.92 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } ::sumAvg: 4.03 atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 640 100V-HA A 4.495 ambi=1 { CA:60.92 } ::sumAvg: 4.03 atom: 641 100V-HB B 1.973 ambi=1 { CB:34.15 } atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } ::sumAvg: 4.27 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } ::sumAvg: 4.415 atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } :: atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } ::sumAvg: 4.415 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } ::sumAvg: 4.39 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } ::sumAvg: 4.29 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } ::sumAvg: 4.555 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } ::sumAvg: 4.04 atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } :: atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } ::sumAvg: 4.04 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } ::sumAvg: 4.885 atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } :: atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } ::sumAvg: 4.95 atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } :: atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } ::sumAvg: 2.63 atom: 2805 117T-HB B 4.23 ambi=1 { CB:70.01 } atom: 642 100V-HG1 G1 0.827 ambi=2 { CG1:20.63 } :: atom: 2805 117T-HB B 4.23 ambi=1 { CB:70.01 } atom: 2642 100V-HG2 G2 0.589 ambi=2 { CG2:21.166 } ::sumAvg: 4.685 atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } ::sumAvg: 4.845 atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } ::sumAvg: 4.96 atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } :: atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } atom: 647 101K-H N 8.6 ambi=1 { N:126.635 } ::sumAvg: 4.81 atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } atom: 2650 101K-QE E 2.868 ambi=2 { CE:41.984 } ::sumAvg: 4.355 atom: 2650 101K-QE E 2.868 ambi=2 { CE:41.984 } atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } ::sumAvg: 4.355 atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } ::sumAvg: 3.97 atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } ::sumAvg: 4.475 atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } ::sumAvg: 4.475 atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } :: atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } ::sumAvg: 3.565 atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } atom: 796 116S-H N 8.511 ambi=1 { N:119.807 } ::sumAvg: 4.64 atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } ::sumAvg: 2.905 atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } atom: 803 117T-H N 8.801 ambi=1 { N:116.435 } ::sumAvg: 4.065 atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } ::sumAvg: 4.83 atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } atom: 648 101K-HA A 5.112 ambi=1 { CA:54.718 } ::sumAvg: 4.83 atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } ::sumAvg: 4.755 atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } ::sumAvg: 4.755 atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } :: atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } ::sumAvg: 4.85 atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } :: atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } ::sumAvg: 4.85 atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 670 103I-HG12 G1 1.071 ambi=2 { CG1:28.072 } ::sumAvg: 4.635 atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } ::sumAvg: 4.155 atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } ::sumAvg: 4.155 atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } ::sumAvg: 3.995 atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } ::sumAvg: 3.995 atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } ::sumAvg: 3.075 atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } :: atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } atom: 649 101K-QB B 1.761 ambi=2 { CB:35.326 } ::sumAvg: 3.075 atom: 2650 101K-QE E 2.868 ambi=2 { CE:41.984 } atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } ::sumAvg: 3.48 atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } atom: 2650 101K-QE E 2.868 ambi=2 { CE:41.984 } ::sumAvg: 3.48 atom: 2650 101K-QE E 2.868 ambi=2 { CE:41.984 } atom: 774 114Q-HB2 B 2.05 ambi=2 { CB:32.307 } :: atom: 2650 101K-QE E 2.868 ambi=2 { CE:41.984 } atom: 775 114Q-HB3 B 2.12 ambi=2 { CB:32.307 } ::sumAvg: 4.04 atom: 774 114Q-HB2 B 2.05 ambi=2 { CB:32.307 } atom: 2650 101K-QE E 2.868 ambi=2 { CE:41.984 } :: atom: 775 114Q-HB3 B 2.12 ambi=2 { CB:32.307 } atom: 2650 101K-QE E 2.868 ambi=2 { CE:41.984 } ::sumAvg: 4.04 atom: 2650 101K-QE E 2.868 ambi=2 { CE:41.984 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 2650 101K-QE E 2.868 ambi=2 { CE:41.984 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } ::sumAvg: 3.715 atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } atom: 2650 101K-QE E 2.868 ambi=2 { CE:41.984 } :: atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } atom: 2650 101K-QE E 2.868 ambi=2 { CE:41.984 } ::sumAvg: 3.715 atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } ::sumAvg: 4.795 atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } atom: 670 103I-HG12 G1 1.071 ambi=2 { CG1:28.072 } ::sumAvg: 4.88 atom: 670 103I-HG12 G1 1.071 ambi=2 { CG1:28.072 } atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } ::sumAvg: 4.88 atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } ::sumAvg: 3.385 atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } atom: 774 114Q-HB2 B 2.05 ambi=2 { CB:32.307 } :: atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } atom: 775 114Q-HB3 B 2.12 ambi=2 { CB:32.307 } ::sumAvg: 4.005 atom: 774 114Q-HB2 B 2.05 ambi=2 { CB:32.307 } atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } :: atom: 775 114Q-HB3 B 2.12 ambi=2 { CB:32.307 } atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } ::sumAvg: 4.005 atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } atom: 777 114Q-HG3 G 2.215 ambi=2 { CG:32.54 } ::sumAvg: 4.92 atom: 777 114Q-HG3 G 2.215 ambi=2 { CG:32.54 } atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } ::sumAvg: 4.92 atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } atom: 778 114Q-HE21 E2 6.739 ambi=2 { NE2:112 } :: atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } atom: 779 114Q-HE22 E2 7.806 ambi=2 { NE2:112 } ::sumAvg: 4.17 atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 2652 101K-QD D 1.6 ambi=2 { CD:29.4 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } ::sumAvg: 3.465 atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } :: atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } ::sumAvg: 4.575 atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } :: atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } ::sumAvg: 4.575 atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } :: atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } ::sumAvg: 4.7 atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } :: atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } ::sumAvg: 4.87 atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } :: atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } ::sumAvg: 4.855 atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } atom: 785 115R-H N 8.989 ambi=1 { N:122.92 } :: atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } atom: 785 115R-H N 8.989 ambi=1 { N:122.92 } ::sumAvg: 3.7 atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } :: atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } ::sumAvg: 4.385 atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } :: atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } ::sumAvg: 4.385 atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } atom: 796 116S-H N 8.511 ambi=1 { N:119.807 } :: atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } atom: 796 116S-H N 8.511 ambi=1 { N:119.807 } ::sumAvg: 4.525 atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } :: atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } ::sumAvg: 3.745 atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } :: atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } ::sumAvg: 2.84 atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } :: atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } atom: 2654 101K-HG3 G 1.372 ambi=2 { CG:24.826 } :: atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } :: atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } atom: 2655 101K-HG2 G 1.226 ambi=2 { CG:24.826 } ::sumAvg: 2.84 atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } ::sumAvg: 4.92 atom: 787 115R-HB2 B 1.467 ambi=2 { CB:33.73 } atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } :: atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } ::sumAvg: 4.38 atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } :: atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } atom: 657 102V-H N 9.209 ambi=1 { N:125.573 } ::sumAvg: 4.115 atom: 658 102V-HA A 5.405 ambi=1 { CA:59.95 } atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } ::sumAvg: 4.445 atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 4.895 atom: 659 102V-HB B 1.85 ambi=1 { CB:34.42 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } ::sumAvg: 4.92 atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } :: atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } ::sumAvg: 4.475 atom: 787 115R-HB2 B 1.467 ambi=2 { CB:33.73 } atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } :: atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } :: atom: 787 115R-HB2 B 1.467 ambi=2 { CB:33.73 } atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } :: atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } ::sumAvg: 4.165 atom: 789 115R-HG2 G 1.847 ambi=2 { CG:28.167 } atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } :: atom: 790 115R-HG3 G 1.61 ambi=2 { CG:28.167 } atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } :: atom: 789 115R-HG2 G 1.847 ambi=2 { CG:28.167 } atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } :: atom: 790 115R-HG3 G 1.61 ambi=2 { CG:28.167 } atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } ::sumAvg: 4.985 atom: 660 102V-HG1 G1 0.894 ambi=2 { CG1:21.47 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } :: atom: 661 102V-HG2 G2 0.894 ambi=2 { CG2:21.87 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } ::sumAvg: 4.025 atom: 1672 103I-HG2 G2 0.9126 ambi=1 { CG2:18.25 } atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } ::sumAvg: 3.84 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 667 103I-H N 8.968 ambi=1 { N:125.593 } ::sumAvg: 4.445 atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } ::sumAvg: 3.025 atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } ::sumAvg: 4.445 atom: 681 104L-HB2 B 1.983 ambi=2 { CB:46.2 } atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } :: atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } ::sumAvg: 4.585 atom: 683 104L-HG G 0.924 ambi=1 { CG:26.63 } atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } ::sumAvg: 4.185 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } ::sumAvg: 4.435 atom: 774 114Q-HB2 B 2.05 ambi=2 { CB:32.307 } atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } :: atom: 775 114Q-HB3 B 2.12 ambi=2 { CB:32.307 } atom: 668 103I-HA A 4.671 ambi=1 { CA:59.79 } ::sumAvg: 3.165 atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } ::sumAvg: 4.73 atom: 694 105K-HG2 G 1.256 ambi=2 { CG:25.12 } atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } :: atom: 695 105K-HG3 G 0.919 ambi=2 { CG:25.12 } atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } ::sumAvg: 3.975 atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } ::sumAvg: 4.46 atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 669 103I-HB B 1.66 ambi=1 { CB:42.522 } ::sumAvg: 4.46 atom: 671 103I-HG13 G1 1.414 ambi=2 { CG1:28.072 } atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } ::sumAvg: 2.105 atom: 670 103I-HG12 G1 1.071 ambi=2 { CG1:28.072 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } :: atom: 671 103I-HG13 G1 1.414 ambi=2 { CG1:28.072 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } ::sumAvg: 4.75 atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 670 103I-HG12 G1 1.071 ambi=2 { CG1:28.072 } :: atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 671 103I-HG13 G1 1.414 ambi=2 { CG1:28.072 } ::sumAvg: 4.75 atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } ::sumAvg: 4.7 atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } atom: 750 111E-HG2 G 2.295 ambi=2 { CG:35.45 } :: atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } atom: 751 111E-HG3 G 1.979 ambi=2 { CG:35.45 } ::sumAvg: 4.18 atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } atom: 772 114Q-H N 8.45 ambi=1 { N:115.851 } ::sumAvg: 4.905 atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } ::sumAvg: 2.965 atom: 774 114Q-HB2 B 2.05 ambi=2 { CB:32.307 } atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } :: atom: 775 114Q-HB3 B 2.12 ambi=2 { CB:32.307 } atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } ::sumAvg: 2.11 atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } atom: 777 114Q-HG3 G 2.215 ambi=2 { CG:32.54 } ::sumAvg: 3.995 atom: 777 114Q-HG3 G 2.215 ambi=2 { CG:32.54 } atom: 672 103I-HD1 D1 0.809 ambi=1 { CD1:14.296 } ::sumAvg: 3.995 atom: 1672 103I-HG2 G2 0.9126 ambi=1 { CG2:18.25 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } ::sumAvg: 4.2 atom: 1672 103I-HG2 G2 0.9126 ambi=1 { CG2:18.25 } atom: 8694 105K-HD2 D 1.477 ambi=2 { CD:29.64 } :: atom: 1672 103I-HG2 G2 0.9126 ambi=1 { CG2:18.25 } atom: 8695 105K-HD3 D 1.582 ambi=2 { CD:29.64 } ::sumAvg: 3.75 atom: 1672 103I-HG2 G2 0.9126 ambi=1 { CG2:18.25 } atom: 747 111E-HA A 4.194 ambi=1 { CA:57.16 } ::sumAvg: 4.135 atom: 1672 103I-HG2 G2 0.9126 ambi=1 { CG2:18.25 } atom: 777 114Q-HG3 G 2.215 ambi=2 { CG:32.54 } ::sumAvg: 4.77 atom: 777 114Q-HG3 G 2.215 ambi=2 { CG:32.54 } atom: 1672 103I-HG2 G2 0.9126 ambi=1 { CG2:18.25 } ::sumAvg: 4.77 atom: 683 104L-HG G 0.924 ambi=1 { CG:26.63 } atom: 679 104L-H N 9.017 ambi=1 { N:127.791 } ::sumAvg: 2.96 atom: 694 105K-HG2 G 1.256 ambi=2 { CG:25.12 } atom: 679 104L-H N 9.017 ambi=1 { N:127.791 } :: atom: 695 105K-HG3 G 0.919 ambi=2 { CG:25.12 } atom: 679 104L-H N 9.017 ambi=1 { N:127.791 } ::sumAvg: 4.505 atom: 750 111E-HG2 G 2.295 ambi=2 { CG:35.45 } atom: 679 104L-H N 9.017 ambi=1 { N:127.791 } :: atom: 751 111E-HG3 G 1.979 ambi=2 { CG:35.45 } atom: 679 104L-H N 9.017 ambi=1 { N:127.791 } ::sumAvg: 3.69 atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } atom: 692 105K-HB2 B 1.712 ambi=2 { CB:36.33 } :: atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } ::sumAvg: 4.615 atom: 692 105K-HB2 B 1.712 ambi=2 { CB:36.33 } atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } :: atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } ::sumAvg: 4.615 atom: 694 105K-HG2 G 1.256 ambi=2 { CG:25.12 } atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } :: atom: 695 105K-HG3 G 0.919 ambi=2 { CG:25.12 } atom: 680 104L-HA A 5.361 ambi=1 { CA:52.8 } ::sumAvg: 4.225 atom: 681 104L-HB2 B 1.983 ambi=2 { CB:46.2 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } :: atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } ::sumAvg: 4.515 atom: 750 111E-HG2 G 2.295 ambi=2 { CG:35.45 } atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } :: atom: 751 111E-HG3 G 1.979 ambi=2 { CG:35.45 } atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } ::sumAvg: 4.89 atom: 758 112V-HB B 2.03 ambi=1 { CB:33.23 } atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } ::sumAvg: 3.915 atom: 681 104L-HB2 B 1.983 ambi=2 { CB:46.2 } atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } :: atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } ::sumAvg: 4.775 atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } atom: 681 104L-HB2 B 1.983 ambi=2 { CB:46.2 } :: atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } ::sumAvg: 4.775 atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } atom: 681 104L-HB2 B 1.983 ambi=2 { CB:46.2 } :: atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } atom: 682 104L-HB3 B 1.036 ambi=2 { CB:46.2 } ::sumAvg: 4.79 atom: 683 104L-HG G 0.924 ambi=1 { CG:26.63 } atom: 766 113A-H N 7.793 ambi=1 { N:121.07 } ::sumAvg: 4.8 atom: 758 112V-HB B 2.03 ambi=1 { CB:33.23 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 4.19 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } ::sumAvg: 3.73 atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } atom: 766 113A-H N 7.793 ambi=1 { N:121.07 } ::sumAvg: 3.855 atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } atom: 684 104L-QD D 1.073 ambi=2 { QCD:23.5 } ::sumAvg: 4.655 atom: 8694 105K-HD2 D 1.477 ambi=2 { CD:29.64 } atom: 690 105K-H N 9.674 ambi=1 { N:126.536 } :: atom: 8695 105K-HD3 D 1.582 ambi=2 { CD:29.64 } atom: 690 105K-H N 9.674 ambi=1 { N:126.536 } ::sumAvg: 4.69 atom: 747 111E-HA A 4.194 ambi=1 { CA:57.16 } atom: 690 105K-H N 9.674 ambi=1 { N:126.536 } ::sumAvg: 4.97 atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } atom: 690 105K-H N 9.674 ambi=1 { N:126.536 } :: atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } atom: 690 105K-H N 9.674 ambi=1 { N:126.536 } ::sumAvg: 4.82 atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } ::sumAvg: 4.785 atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } ::sumAvg: 4.785 atom: 8694 105K-HD2 D 1.477 ambi=2 { CD:29.64 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } :: atom: 8695 105K-HD3 D 1.582 ambi=2 { CD:29.64 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } ::sumAvg: 4.3 atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } ::sumAvg: 4.385 atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } ::sumAvg: 4.385 atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } :: atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } ::sumAvg: 4.755 atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } :: atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } ::sumAvg: 4.755 atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } ::sumAvg: 4.505 atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } ::sumAvg: 4.505 atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } atom: 746 111E-H N 8.799 ambi=1 { N:123.867 } ::sumAvg: 4.805 atom: 748 111E-HB2 B 1.952 ambi=2 { CB:29.175 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } :: atom: 749 111E-HB3 B 1.862 ambi=2 { CB:29.175 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } ::sumAvg: 4.41 atom: 750 111E-HG2 G 2.295 ambi=2 { CG:35.45 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } :: atom: 751 111E-HG3 G 1.979 ambi=2 { CG:35.45 } atom: 691 105K-HA A 5.194 ambi=1 { CA:53.78 } ::sumAvg: 4.17 atom: 692 105K-HB2 B 1.712 ambi=2 { CB:36.33 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } :: atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } ::sumAvg: 3.97 atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 692 105K-HB2 B 1.712 ambi=2 { CB:36.33 } :: atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } ::sumAvg: 3.97 atom: 692 105K-HB2 B 1.712 ambi=2 { CB:36.33 } atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } :: atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } ::sumAvg: 4.74 atom: 692 105K-HB2 B 1.712 ambi=2 { CB:36.33 } atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } :: atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } ::sumAvg: 4.985 atom: 692 105K-HB2 B 1.712 ambi=2 { CB:36.33 } atom: 736 110E-H N 7.562 ambi=1 { N:120.137 } :: atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } atom: 736 110E-H N 7.562 ambi=1 { N:120.137 } ::sumAvg: 4.18 atom: 693 105K-HB3 B 1.436 ambi=2 { CB:36.33 } atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } ::sumAvg: 4.75 atom: 694 105K-HG2 G 1.256 ambi=2 { CG:25.12 } atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } :: atom: 695 105K-HG3 G 0.919 ambi=2 { CG:25.12 } atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } ::sumAvg: 4.055 atom: 737 110E-HA A 4.209 ambi=1 { CA:54.32 } atom: 694 105K-HG2 G 1.256 ambi=2 { CG:25.12 } :: atom: 737 110E-HA A 4.209 ambi=1 { CA:54.32 } atom: 695 105K-HG3 G 0.919 ambi=2 { CG:25.12 } ::sumAvg: 4.765 atom: 694 105K-HG2 G 1.256 ambi=2 { CG:25.12 } atom: 746 111E-H N 8.799 ambi=1 { N:123.867 } :: atom: 695 105K-HG3 G 0.919 ambi=2 { CG:25.12 } atom: 746 111E-H N 8.799 ambi=1 { N:123.867 } ::sumAvg: 4.36 atom: 694 105K-HG2 G 1.256 ambi=2 { CG:25.12 } atom: 748 111E-HB2 B 1.952 ambi=2 { CB:29.175 } :: atom: 694 105K-HG2 G 1.256 ambi=2 { CG:25.12 } atom: 749 111E-HB3 B 1.862 ambi=2 { CB:29.175 } :: atom: 695 105K-HG3 G 0.919 ambi=2 { CG:25.12 } atom: 748 111E-HB2 B 1.952 ambi=2 { CB:29.175 } :: atom: 695 105K-HG3 G 0.919 ambi=2 { CG:25.12 } atom: 749 111E-HB3 B 1.862 ambi=2 { CB:29.175 } ::sumAvg: 3.225 atom: 694 105K-HG2 G 1.256 ambi=2 { CG:25.12 } atom: 750 111E-HG2 G 2.295 ambi=2 { CG:35.45 } :: atom: 694 105K-HG2 G 1.256 ambi=2 { CG:25.12 } atom: 751 111E-HG3 G 1.979 ambi=2 { CG:35.45 } :: atom: 695 105K-HG3 G 0.919 ambi=2 { CG:25.12 } atom: 750 111E-HG2 G 2.295 ambi=2 { CG:35.45 } :: atom: 695 105K-HG3 G 0.919 ambi=2 { CG:25.12 } atom: 751 111E-HG3 G 1.979 ambi=2 { CG:35.45 } ::sumAvg: 3.805 atom: 694 105K-HG2 G 1.256 ambi=2 { CG:25.12 } atom: 756 112V-H N 9.093 ambi=1 { N:122.642 } :: atom: 695 105K-HG3 G 0.919 ambi=2 { CG:25.12 } atom: 756 112V-H N 9.093 ambi=1 { N:122.642 } ::sumAvg: 4.365 atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 747 111E-HA A 4.194 ambi=1 { CA:57.16 } ::sumAvg: 4.555 atom: 747 111E-HA A 4.194 ambi=1 { CA:57.16 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } ::sumAvg: 4.555 atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 748 111E-HB2 B 1.952 ambi=2 { CB:29.175 } :: atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 749 111E-HB3 B 1.862 ambi=2 { CB:29.175 } ::sumAvg: 3.91 atom: 748 111E-HB2 B 1.952 ambi=2 { CB:29.175 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } :: atom: 749 111E-HB3 B 1.862 ambi=2 { CB:29.175 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } ::sumAvg: 3.91 atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 750 111E-HG2 G 2.295 ambi=2 { CG:35.45 } :: atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } atom: 751 111E-HG3 G 1.979 ambi=2 { CG:35.45 } ::sumAvg: 4.61 atom: 750 111E-HG2 G 2.295 ambi=2 { CG:35.45 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } :: atom: 751 111E-HG3 G 1.979 ambi=2 { CG:35.45 } atom: 696 105K-QE E 2.764 ambi=2 { CE:41.6 } ::sumAvg: 4.61 atom: 8694 105K-HD2 D 1.477 ambi=2 { CD:29.64 } atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } :: atom: 8695 105K-HD3 D 1.582 ambi=2 { CD:29.64 } atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } ::sumAvg: 4.975 atom: 8694 105K-HD2 D 1.477 ambi=2 { CD:29.64 } atom: 732 109G-HA2 A 4.136 ambi=2 { CA:45.549 } :: atom: 8694 105K-HD2 D 1.477 ambi=2 { CD:29.64 } atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } :: atom: 8695 105K-HD3 D 1.582 ambi=2 { CD:29.64 } atom: 732 109G-HA2 A 4.136 ambi=2 { CA:45.549 } :: atom: 8695 105K-HD3 D 1.582 ambi=2 { CD:29.64 } atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } ::sumAvg: 3.6 atom: 8694 105K-HD2 D 1.477 ambi=2 { CD:29.64 } atom: 737 110E-HA A 4.209 ambi=1 { CA:54.32 } :: atom: 8695 105K-HD3 D 1.582 ambi=2 { CD:29.64 } atom: 737 110E-HA A 4.209 ambi=1 { CA:54.32 } ::sumAvg: 4.95 atom: 737 110E-HA A 4.209 ambi=1 { CA:54.32 } atom: 8694 105K-HD2 D 1.477 ambi=2 { CD:29.64 } :: atom: 737 110E-HA A 4.209 ambi=1 { CA:54.32 } atom: 8695 105K-HD3 D 1.582 ambi=2 { CD:29.64 } ::sumAvg: 4.95 atom: 8694 105K-HD2 D 1.477 ambi=2 { CD:29.64 } atom: 747 111E-HA A 4.194 ambi=1 { CA:57.16 } :: atom: 8695 105K-HD3 D 1.582 ambi=2 { CD:29.64 } atom: 747 111E-HA A 4.194 ambi=1 { CA:57.16 } ::sumAvg: 4.75 atom: 747 111E-HA A 4.194 ambi=1 { CA:57.16 } atom: 8694 105K-HD2 D 1.477 ambi=2 { CD:29.64 } :: atom: 747 111E-HA A 4.194 ambi=1 { CA:57.16 } atom: 8695 105K-HD3 D 1.582 ambi=2 { CD:29.64 } ::sumAvg: 4.75 atom: 8694 105K-HD2 D 1.477 ambi=2 { CD:29.64 } atom: 748 111E-HB2 B 1.952 ambi=2 { CB:29.175 } ::sumAvg: 4.91 atom: 748 111E-HB2 B 1.952 ambi=2 { CB:29.175 } atom: 8694 105K-HD2 D 1.477 ambi=2 { CD:29.64 } ::sumAvg: 4.91 atom: 732 109G-HA2 A 4.136 ambi=2 { CA:45.549 } atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } :: atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } ::sumAvg: 4.735 atom: 737 110E-HA A 4.209 ambi=1 { CA:54.32 } atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } ::sumAvg: 4.92 atom: 739 110E-QB B 1.7325 ambi=2 { CB:29.76 } atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } ::sumAvg: 4.765 atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } ::sumAvg: 3.25 atom: 747 111E-HA A 4.194 ambi=1 { CA:57.16 } atom: 704 106N-H N 7.774 ambi=1 { N:116.55 } ::sumAvg: 3.755 atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } atom: 712 107S-HA A 4.092 ambi=1 { CA:60.49 } ::sumAvg: 4.345 atom: 712 107S-HA A 4.092 ambi=1 { CA:60.49 } atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } ::sumAvg: 4.345 atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } ::sumAvg: 4.445 atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } ::sumAvg: 4.445 atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } :: atom: 705 106N-HA A 2.714 ambi=1 { CA:49.53 } atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } ::sumAvg: 4.545 atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } :: atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } ::sumAvg: 4.04 atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } :: atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } ::sumAvg: 4.04 atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } atom: 720 108Q-HB2 B 1.89 ambi=2 { CB:28.4 } :: atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } atom: 721 108Q-HB3 B 2.238 ambi=2 { CB:28.4 } :: atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } atom: 720 108Q-HB2 B 1.89 ambi=2 { CB:28.4 } :: atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } atom: 721 108Q-HB3 B 2.238 ambi=2 { CB:28.4 } ::sumAvg: 4.235 atom: 720 108Q-HB2 B 1.89 ambi=2 { CB:28.4 } atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } :: atom: 721 108Q-HB3 B 2.238 ambi=2 { CB:28.4 } atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } :: atom: 720 108Q-HB2 B 1.89 ambi=2 { CB:28.4 } atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } :: atom: 721 108Q-HB3 B 2.238 ambi=2 { CB:28.4 } atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } ::sumAvg: 4.235 atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } atom: 722 108Q-HG2 G 2.297 ambi=2 { CG:34.543 } :: atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } atom: 723 108Q-HG3 G 2.256 ambi=2 { CG:34.543 } :: atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } atom: 722 108Q-HG2 G 2.297 ambi=2 { CG:34.543 } :: atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } atom: 723 108Q-HG3 G 2.256 ambi=2 { CG:34.543 } ::sumAvg: 4.435 atom: 722 108Q-HG2 G 2.297 ambi=2 { CG:34.543 } atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } :: atom: 723 108Q-HG3 G 2.256 ambi=2 { CG:34.543 } atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } :: atom: 722 108Q-HG2 G 2.297 ambi=2 { CG:34.543 } atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } :: atom: 723 108Q-HG3 G 2.256 ambi=2 { CG:34.543 } atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } ::sumAvg: 4.435 atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } atom: 736 110E-H N 7.562 ambi=1 { N:120.137 } :: atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } atom: 736 110E-H N 7.562 ambi=1 { N:120.137 } ::sumAvg: 3.945 atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } atom: 739 110E-QB B 1.7325 ambi=2 { CB:29.76 } ::sumAvg: 4.605 atom: 739 110E-QB B 1.7325 ambi=2 { CB:29.76 } atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } ::sumAvg: 4.605 atom: 706 106N-HB2 B 2.714 ambi=2 { CB:36.94 } atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } :: atom: 707 106N-HB3 B 1.388 ambi=2 { CB:36.94 } atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } ::sumAvg: 2.67 atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } atom: 2711 106N-HD21 D2 7.449 ambi=2 { ND2:112.3 } :: atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } atom: 2712 106N-HD22 D2 7.383 ambi=2 { ND2:112.3 } ::sumAvg: 4.33 atom: 758 112V-HB B 2.03 ambi=1 { CB:33.23 } atom: 2711 106N-HD21 D2 7.449 ambi=2 { ND2:112.3 } :: atom: 758 112V-HB B 2.03 ambi=1 { CB:33.23 } atom: 2712 106N-HD22 D2 7.383 ambi=2 { ND2:112.3 } ::sumAvg: 4.93 atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } atom: 2711 106N-HD21 D2 7.449 ambi=2 { ND2:112.3 } :: atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } atom: 2711 106N-HD21 D2 7.449 ambi=2 { ND2:112.3 } :: atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } atom: 2712 106N-HD22 D2 7.383 ambi=2 { ND2:112.3 } :: atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } atom: 2712 106N-HD22 D2 7.383 ambi=2 { ND2:112.3 } ::sumAvg: 2.935 atom: 722 108Q-HG2 G 2.297 ambi=2 { CG:34.543 } atom: 711 107S-H N 6.988 ambi=1 { N:112.4 } :: atom: 723 108Q-HG3 G 2.256 ambi=2 { CG:34.543 } atom: 711 107S-H N 6.988 ambi=1 { N:112.4 } ::sumAvg: 4.73 atom: 712 107S-HA A 4.092 ambi=1 { CA:60.49 } atom: 731 109G-H N 7.835 ambi=1 { N:107.333 } ::sumAvg: 4.57 atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } atom: 720 108Q-HB2 B 1.89 ambi=2 { CB:28.4 } :: atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } atom: 721 108Q-HB3 B 2.238 ambi=2 { CB:28.4 } ::sumAvg: 4.985 atom: 720 108Q-HB2 B 1.89 ambi=2 { CB:28.4 } atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } :: atom: 721 108Q-HB3 B 2.238 ambi=2 { CB:28.4 } atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } ::sumAvg: 4.985 atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } atom: 722 108Q-HG2 G 2.297 ambi=2 { CG:34.543 } :: atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } atom: 723 108Q-HG3 G 2.256 ambi=2 { CG:34.543 } ::sumAvg: 3.575 atom: 722 108Q-HG2 G 2.297 ambi=2 { CG:34.543 } atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } :: atom: 723 108Q-HG3 G 2.256 ambi=2 { CG:34.543 } atom: 713 107S-QB B 4.151 ambi=2 { CB:62.51 } ::sumAvg: 3.575 atom: 732 109G-HA2 A 4.136 ambi=2 { CA:45.549 } atom: 718 108Q-H N 7.414 ambi=1 { N:119 } :: atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } atom: 718 108Q-H N 7.414 ambi=1 { N:119 } ::sumAvg: 4.66 atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } atom: 718 108Q-H N 7.414 ambi=1 { N:119 } ::sumAvg: 3.945 atom: 719 108Q-HA A 4.404 ambi=1 { CA:55.47 } atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } ::sumAvg: 4.555 atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } atom: 719 108Q-HA A 4.404 ambi=1 { CA:55.47 } ::sumAvg: 4.555 atom: 719 108Q-HA A 4.404 ambi=1 { CA:55.47 } atom: 736 110E-H N 7.562 ambi=1 { N:120.137 } ::sumAvg: 4.76 atom: 720 108Q-HB2 B 1.89 ambi=2 { CB:28.4 } atom: 732 109G-HA2 A 4.136 ambi=2 { CA:45.549 } :: atom: 720 108Q-HB2 B 1.89 ambi=2 { CB:28.4 } atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } :: atom: 721 108Q-HB3 B 2.238 ambi=2 { CB:28.4 } atom: 732 109G-HA2 A 4.136 ambi=2 { CA:45.549 } :: atom: 721 108Q-HB3 B 2.238 ambi=2 { CB:28.4 } atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } ::sumAvg: 4.51 atom: 732 109G-HA2 A 4.136 ambi=2 { CA:45.549 } atom: 720 108Q-HB2 B 1.89 ambi=2 { CB:28.4 } :: atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } atom: 720 108Q-HB2 B 1.89 ambi=2 { CB:28.4 } :: atom: 732 109G-HA2 A 4.136 ambi=2 { CA:45.549 } atom: 721 108Q-HB3 B 2.238 ambi=2 { CB:28.4 } :: atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } atom: 721 108Q-HB3 B 2.238 ambi=2 { CB:28.4 } ::sumAvg: 4.51 atom: 721 108Q-HB3 B 2.238 ambi=2 { CB:28.4 } atom: 739 110E-QB B 1.7325 ambi=2 { CB:29.76 } ::sumAvg: 4.195 atom: 739 110E-QB B 1.7325 ambi=2 { CB:29.76 } atom: 721 108Q-HB3 B 2.238 ambi=2 { CB:28.4 } ::sumAvg: 4.195 atom: 737 110E-HA A 4.209 ambi=1 { CA:54.32 } atom: 731 109G-H N 7.835 ambi=1 { N:107.333 } ::sumAvg: 4.87 atom: 739 110E-QB B 1.7325 ambi=2 { CB:29.76 } atom: 731 109G-H N 7.835 ambi=1 { N:107.333 } ::sumAvg: 4.55 atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } atom: 731 109G-H N 7.835 ambi=1 { N:107.333 } ::sumAvg: 3.225 atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } atom: 737 110E-HA A 4.209 ambi=1 { CA:54.32 } ::sumAvg: 4.4 atom: 737 110E-HA A 4.209 ambi=1 { CA:54.32 } atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } ::sumAvg: 4.4 atom: 732 109G-HA2 A 4.136 ambi=2 { CA:45.549 } atom: 739 110E-QB B 1.7325 ambi=2 { CB:29.76 } :: atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } atom: 739 110E-QB B 1.7325 ambi=2 { CB:29.76 } ::sumAvg: 4.845 atom: 739 110E-QB B 1.7325 ambi=2 { CB:29.76 } atom: 732 109G-HA2 A 4.136 ambi=2 { CA:45.549 } :: atom: 739 110E-QB B 1.7325 ambi=2 { CB:29.76 } atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } ::sumAvg: 4.845 atom: 732 109G-HA2 A 4.136 ambi=2 { CA:45.549 } atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } :: atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } ::sumAvg: 4.84 atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } atom: 732 109G-HA2 A 4.136 ambi=2 { CA:45.549 } :: atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } atom: 733 109G-HA3 A 3.53 ambi=2 { CA:45.549 } ::sumAvg: 4.84 atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } atom: 739 110E-QB B 1.7325 ambi=2 { CB:29.76 } :: atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } atom: 739 110E-QB B 1.7325 ambi=2 { CB:29.76 } ::sumAvg: 4.4 atom: 747 111E-HA A 4.194 ambi=1 { CA:57.16 } atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } ::sumAvg: 4.355 atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } :: atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } ::sumAvg: 3.545 atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } :: atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } atom: 740 110E-QG G 2.0825 ambi=2 { CG:35.231 } ::sumAvg: 3.545 atom: 748 111E-HB2 B 1.952 ambi=2 { CB:29.175 } atom: 756 112V-H N 9.093 ambi=1 { N:122.642 } :: atom: 749 111E-HB3 B 1.862 ambi=2 { CB:29.175 } atom: 756 112V-H N 9.093 ambi=1 { N:122.642 } ::sumAvg: 4.16 atom: 757 112V-HA A 4.33 ambi=1 { CA:61.529 } atom: 748 111E-HB2 B 1.952 ambi=2 { CB:29.175 } :: atom: 757 112V-HA A 4.33 ambi=1 { CA:61.529 } atom: 749 111E-HB3 B 1.862 ambi=2 { CB:29.175 } ::sumAvg: 4.94 atom: 757 112V-HA A 4.33 ambi=1 { CA:61.529 } atom: 750 111E-HG2 G 2.295 ambi=2 { CG:35.45 } :: atom: 757 112V-HA A 4.33 ambi=1 { CA:61.529 } atom: 751 111E-HG3 G 1.979 ambi=2 { CG:35.45 } ::sumAvg: 4.075 atom: 750 111E-HG2 G 2.295 ambi=2 { CG:35.45 } atom: 766 113A-H N 7.793 ambi=1 { N:121.07 } :: atom: 751 111E-HG3 G 1.979 ambi=2 { CG:35.45 } atom: 766 113A-H N 7.793 ambi=1 { N:121.07 } ::sumAvg: 3.5 atom: 750 111E-HG2 G 2.295 ambi=2 { CG:35.45 } atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } :: atom: 751 111E-HG3 G 1.979 ambi=2 { CG:35.45 } atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } ::sumAvg: 4.295 atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } atom: 750 111E-HG2 G 2.295 ambi=2 { CG:35.45 } :: atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } atom: 751 111E-HG3 G 1.979 ambi=2 { CG:35.45 } ::sumAvg: 4.295 atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } atom: 756 112V-H N 9.093 ambi=1 { N:122.642 } ::sumAvg: 4.82 atom: 757 112V-HA A 4.33 ambi=1 { CA:61.529 } atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } ::sumAvg: 4.64 atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } atom: 757 112V-HA A 4.33 ambi=1 { CA:61.529 } ::sumAvg: 4.64 atom: 768 113A-HB B 1.573 ambi=1 { CB:22.4 } atom: 757 112V-HA A 4.33 ambi=1 { CA:61.529 } ::sumAvg: 4.53 atom: 758 112V-HB B 2.03 ambi=1 { CB:33.23 } atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } ::sumAvg: 4.695 atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } atom: 758 112V-HB B 2.03 ambi=1 { CB:33.23 } ::sumAvg: 4.695 atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } :: atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } ::sumAvg: 3.875 atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } :: atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } ::sumAvg: 3.875 atom: 768 113A-HB B 1.573 ambi=1 { CB:22.4 } atom: 759 112V-HG1 G1 0.524 ambi=2 { CG1:19.357 } :: atom: 768 113A-HB B 1.573 ambi=1 { CB:22.4 } atom: 760 112V-HG2 G2 0.851 ambi=2 { CG2:21.273 } ::sumAvg: 2.545 atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } atom: 766 113A-H N 7.793 ambi=1 { N:121.07 } ::sumAvg: 4.985 atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } ::sumAvg: 4.495 atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } ::sumAvg: 4.495 atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } atom: 774 114Q-HB2 B 2.05 ambi=2 { CB:32.307 } :: atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } atom: 775 114Q-HB3 B 2.12 ambi=2 { CB:32.307 } ::sumAvg: 4.545 atom: 774 114Q-HB2 B 2.05 ambi=2 { CB:32.307 } atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } :: atom: 775 114Q-HB3 B 2.12 ambi=2 { CB:32.307 } atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } ::sumAvg: 4.545 atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } atom: 777 114Q-HG3 G 2.215 ambi=2 { CG:32.54 } ::sumAvg: 3.755 atom: 777 114Q-HG3 G 2.215 ambi=2 { CG:32.54 } atom: 767 113A-HA A 4.77 ambi=1 { CA:52.449 } ::sumAvg: 3.755 atom: 768 113A-HB B 1.573 ambi=1 { CB:22.4 } atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } ::sumAvg: 3.95 atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } atom: 768 113A-HB B 1.573 ambi=1 { CB:22.4 } ::sumAvg: 3.95 atom: 768 113A-HB B 1.573 ambi=1 { CB:22.4 } atom: 774 114Q-HB2 B 2.05 ambi=2 { CB:32.307 } :: atom: 768 113A-HB B 1.573 ambi=1 { CB:22.4 } atom: 775 114Q-HB3 B 2.12 ambi=2 { CB:32.307 } ::sumAvg: 4.91 atom: 768 113A-HB B 1.573 ambi=1 { CB:22.4 } atom: 777 114Q-HG3 G 2.215 ambi=2 { CG:32.54 } ::sumAvg: 4.575 atom: 777 114Q-HG3 G 2.215 ambi=2 { CG:32.54 } atom: 768 113A-HB B 1.573 ambi=1 { CB:22.4 } ::sumAvg: 4.575 atom: 768 113A-HB B 1.573 ambi=1 { CB:22.4 } atom: 785 115R-H N 8.989 ambi=1 { N:122.92 } ::sumAvg: 4.385 atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } atom: 768 113A-HB B 1.573 ambi=1 { CB:22.4 } ::sumAvg: 4.495 atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } atom: 772 114Q-H N 8.45 ambi=1 { N:115.851 } ::sumAvg: 4.625 atom: 787 115R-HB2 B 1.467 ambi=2 { CB:33.73 } atom: 772 114Q-H N 8.45 ambi=1 { N:115.851 } :: atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } atom: 772 114Q-H N 8.45 ambi=1 { N:115.851 } ::sumAvg: 4.33 atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } atom: 777 114Q-HG3 G 2.215 ambi=2 { CG:32.54 } ::sumAvg: 3.72 atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } ::sumAvg: 4.555 atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } ::sumAvg: 4.555 atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } atom: 787 115R-HB2 B 1.467 ambi=2 { CB:33.73 } :: atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } ::sumAvg: 4.535 atom: 787 115R-HB2 B 1.467 ambi=2 { CB:33.73 } atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } :: atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } atom: 773 114Q-HA A 5.404 ambi=1 { CA:54.83 } ::sumAvg: 4.535 atom: 774 114Q-HB2 B 2.05 ambi=2 { CB:32.307 } atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } :: atom: 775 114Q-HB3 B 2.12 ambi=2 { CB:32.307 } atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } ::sumAvg: 4.59 atom: 777 114Q-HG3 G 2.215 ambi=2 { CG:32.54 } atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } ::sumAvg: 4.075 atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } atom: 777 114Q-HG3 G 2.215 ambi=2 { CG:32.54 } ::sumAvg: 4.075 atom: 789 115R-HG2 G 1.847 ambi=2 { CG:28.167 } atom: 785 115R-H N 8.989 ambi=1 { N:122.92 } :: atom: 790 115R-HG3 G 1.61 ambi=2 { CG:28.167 } atom: 785 115R-H N 8.989 ambi=1 { N:122.92 } ::sumAvg: 4.52 atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } atom: 2790 115R-HD2 D 2.986 ambi=2 { CD:43.17 } :: atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } atom: 2791 115R-HD3 D 3.219 ambi=2 { CD:43.17 } ::sumAvg: 4.185 atom: 2790 115R-HD2 D 2.986 ambi=2 { CD:43.17 } atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } :: atom: 2791 115R-HD3 D 3.219 ambi=2 { CD:43.17 } atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } ::sumAvg: 4.185 atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } ::sumAvg: 4.495 atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } atom: 786 115R-HA A 4.555 ambi=1 { CA:56.35 } ::sumAvg: 4.495 atom: 787 115R-HB2 B 1.467 ambi=2 { CB:33.73 } atom: 796 116S-H N 8.511 ambi=1 { N:119.807 } :: atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } atom: 796 116S-H N 8.511 ambi=1 { N:119.807 } ::sumAvg: 3.305 atom: 787 115R-HB2 B 1.467 ambi=2 { CB:33.73 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } :: atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } ::sumAvg: 4.51 atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } atom: 787 115R-HB2 B 1.467 ambi=2 { CB:33.73 } :: atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } atom: 788 115R-HB3 B 2.007 ambi=2 { CB:33.73 } ::sumAvg: 4.51 atom: 789 115R-HG2 G 1.847 ambi=2 { CG:28.167 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } :: atom: 790 115R-HG3 G 1.61 ambi=2 { CG:28.167 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } ::sumAvg: 4.525 atom: 789 115R-HG2 G 1.847 ambi=2 { CG:28.167 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } :: atom: 790 115R-HG3 G 1.61 ambi=2 { CG:28.167 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } ::sumAvg: 4.965 atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 789 115R-HG2 G 1.847 ambi=2 { CG:28.167 } :: atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 790 115R-HG3 G 1.61 ambi=2 { CG:28.167 } ::sumAvg: 4.965 atom: 2790 115R-HD2 D 2.986 ambi=2 { CD:43.17 } atom: 796 116S-H N 8.511 ambi=1 { N:119.807 } :: atom: 2791 115R-HD3 D 3.219 ambi=2 { CD:43.17 } atom: 796 116S-H N 8.511 ambi=1 { N:119.807 } ::sumAvg: 4.735 atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } ::sumAvg: 4.445 atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } atom: 797 116S-HA A 5.756 ambi=1 { CA:56.4 } ::sumAvg: 4.445 atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } :: atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } ::sumAvg: 4.735 atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } ::sumAvg: 4.735 atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } :: atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } ::sumAvg: 4.46 atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } atom: 798 116S-HB2 B 3.838 ambi=2 { CB:65.77 } :: atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } atom: 799 116S-HB3 B 3.888 ambi=2 { CB:65.77 } ::sumAvg: 4.46 atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } atom: 812 118V-HB B 1.959 ambi=1 { CB:32.931 } ::sumAvg: 4.74 atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } ::sumAvg: 3.515 atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 804 117T-HA A 4.378 ambi=1 { CA:62.16 } ::sumAvg: 3.515 atom: 811 118V-HA A 4.227 ambi=1 { CA:61.32 } atom: 805 117T-HG2 G2 1.242 ambi=1 { CG2:22.753 } ::sumAvg: 4.925 atom: 2805 117T-HB B 4.23 ambi=1 { CB:70.01 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } ::sumAvg: 4.01 atom: 821 119F-HA A 4.655 ambi=1 { CA:57.52 } atom: 811 118V-HA A 4.227 ambi=1 { CA:61.32 } ::sumAvg: 4.455 atom: 822 119F-HB2 B 3.08 ambi=2 { CB:39.55 } atom: 811 118V-HA A 4.227 ambi=1 { CA:61.32 } :: atom: 823 119F-HB3 B 2.97 ambi=2 { CB:39.55 } atom: 811 118V-HA A 4.227 ambi=1 { CA:61.32 } ::sumAvg: 4.665 atom: 811 118V-HA A 4.227 ambi=1 { CA:61.32 } atom: 860 119F-QD D 7.268 ambi=3 { CD1:131.8 } ::sumAvg: 4.425 atom: 811 118V-HA A 4.227 ambi=1 { CA:61.32 } atom: 827 120K-H N 8.346 ambi=1 { N:124.095 } ::sumAvg: 4.69 atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 821 119F-HA A 4.655 ambi=1 { CA:57.52 } ::sumAvg: 4.05 atom: 821 119F-HA A 4.655 ambi=1 { CA:57.52 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } ::sumAvg: 4.05 atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 822 119F-HB2 B 3.08 ambi=2 { CB:39.55 } :: atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 823 119F-HB3 B 2.97 ambi=2 { CB:39.55 } ::sumAvg: 4.3 atom: 822 119F-HB2 B 3.08 ambi=2 { CB:39.55 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } :: atom: 823 119F-HB3 B 2.97 ambi=2 { CB:39.55 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } ::sumAvg: 4.3 atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 860 119F-QD D 7.268 ambi=3 { CD1:131.8 } ::sumAvg: 3.675 atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 864 119F-QE E 7.36 ambi=3 { CE1:131.8 } ::sumAvg: 4.965 atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 827 120K-H N 8.346 ambi=1 { N:124.095 } ::sumAvg: 3.43 atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 828 120K-HA A 4.432 ambi=1 { CA:55.74 } ::sumAvg: 4.335 atom: 828 120K-HA A 4.432 ambi=1 { CA:55.74 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } ::sumAvg: 4.335 atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 829 120K-HB2 B 1.748 ambi=2 { CB:33.29 } :: atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 830 120K-HB3 B 1.834 ambi=2 { CB:33.29 } ::sumAvg: 3.81 atom: 829 120K-HB2 B 1.748 ambi=2 { CB:33.29 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } :: atom: 830 120K-HB3 B 1.834 ambi=2 { CB:33.29 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } ::sumAvg: 3.81 atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 831 120K-HG2 G 1.398 ambi=2 { CG:24.83 } :: atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 832 120K-HG3 G 1.434 ambi=2 { CG:24.83 } ::sumAvg: 4.015 atom: 831 120K-HG2 G 1.398 ambi=2 { CG:24.83 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } :: atom: 832 120K-HG3 G 1.434 ambi=2 { CG:24.83 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } ::sumAvg: 4.015 atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 833 120K-QD D 1.664 ambi=2 { CD:29.19 } ::sumAvg: 3.72 atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } atom: 835 120K-QE E 2.9745 ambi=2 { CE:42.102 } ::sumAvg: 4.24 atom: 835 120K-QE E 2.9745 ambi=2 { CE:42.102 } atom: 813 118V-QG G 0.876 ambi=2 { QCG:20.585 } ::sumAvg: 4.24 atom: 821 119F-HA A 4.655 ambi=1 { CA:57.52 } atom: 829 120K-HB2 B 1.748 ambi=2 { CB:33.29 } :: atom: 821 119F-HA A 4.655 ambi=1 { CA:57.52 } atom: 830 120K-HB3 B 1.834 ambi=2 { CB:33.29 } ::sumAvg: 4.98 atom: 829 120K-HB2 B 1.748 ambi=2 { CB:33.29 } atom: 821 119F-HA A 4.655 ambi=1 { CA:57.52 } :: atom: 830 120K-HB3 B 1.834 ambi=2 { CB:33.29 } atom: 821 119F-HA A 4.655 ambi=1 { CA:57.52 } ::sumAvg: 4.98 atom: 822 119F-HB2 B 3.08 ambi=2 { CB:39.55 } atom: 864 119F-QE E 7.36 ambi=3 { CE1:131.8 } :: atom: 823 119F-HB3 B 2.97 ambi=2 { CB:39.55 } atom: 864 119F-QE E 7.36 ambi=3 { CE1:131.8 } ::sumAvg: 4.395 atom: 822 119F-HB2 B 3.08 ambi=2 { CB:39.55 } atom: 828 120K-HA A 4.432 ambi=1 { CA:55.74 } :: atom: 823 119F-HB3 B 2.97 ambi=2 { CB:39.55 } atom: 828 120K-HA A 4.432 ambi=1 { CA:55.74 } ::sumAvg: 4.77 atom: 828 120K-HA A 4.432 ambi=1 { CA:55.74 } atom: 822 119F-HB2 B 3.08 ambi=2 { CB:39.55 } :: atom: 828 120K-HA A 4.432 ambi=1 { CA:55.74 } atom: 823 119F-HB3 B 2.97 ambi=2 { CB:39.55 } ::sumAvg: 4.77 atom: 833 120K-QD D 1.664 ambi=2 { CD:29.19 } atom: 827 120K-H N 8.346 ambi=1 { N:124.095 } ::sumAvg: 3.74 atom: 828 120K-HA A 4.432 ambi=1 { CA:55.74 } atom: 833 120K-QD D 1.664 ambi=2 { CD:29.19 } ::sumAvg: 3.3 atom: 828 120K-HA A 4.432 ambi=1 { CA:55.74 } atom: 835 120K-QE E 2.9745 ambi=2 { CE:42.102 } ::sumAvg: 3.72 atom: 835 120K-QE E 2.9745 ambi=2 { CE:42.102 } atom: 828 120K-HA A 4.432 ambi=1 { CA:55.74 } ::sumAvg: 3.72 atom: 828 120K-HA A 4.432 ambi=1 { CA:55.74 } atom: 856 121T-HG2 G2 1.223 ambi=1 { CG2:21.593 } ::sumAvg: 4.645 atom: 857 121T-HA A 4.394 ambi=1 { CA:61.61 } atom: 829 120K-HB2 B 1.748 ambi=2 { CB:33.29 } :: atom: 857 121T-HA A 4.394 ambi=1 { CA:61.61 } atom: 830 120K-HB3 B 1.834 ambi=2 { CB:33.29 } ::sumAvg: 4.96 atom: 829 120K-HB2 B 1.748 ambi=2 { CB:33.29 } atom: 849 122T-H N 7.809 ambi=1 { N:121 } :: atom: 830 120K-HB3 B 1.834 ambi=2 { CB:33.29 } atom: 849 122T-H N 7.809 ambi=1 { N:121 } ::sumAvg: 4.7 atom: 829 120K-HB2 B 1.748 ambi=2 { CB:33.29 } atom: 855 122T-HG2 G2 1.193 ambi=1 { CG2:21.764 } :: atom: 830 120K-HB3 B 1.834 ambi=2 { CB:33.29 } atom: 855 122T-HG2 G2 1.193 ambi=1 { CG2:21.764 } ::sumAvg: 4.65 atom: 855 122T-HG2 G2 1.193 ambi=1 { CG2:21.764 } atom: 829 120K-HB2 B 1.748 ambi=2 { CB:33.29 } :: atom: 855 122T-HG2 G2 1.193 ambi=1 { CG2:21.764 } atom: 830 120K-HB3 B 1.834 ambi=2 { CB:33.29 } ::sumAvg: 4.65 atom: 833 120K-QD D 1.664 ambi=2 { CD:29.19 } atom: 843 121T-H N 8.294 ambi=1 { N:116.359 } ::sumAvg: 4.605 atom: 835 120K-QE E 2.9745 ambi=2 { CE:42.102 } atom: 843 121T-H N 8.294 ambi=1 { N:116.359 } ::sumAvg: 4.705 atom: 844 121T-HB B 4.293 ambi=1 { CB:69.64 } atom: 843 121T-H N 8.294 ambi=1 { N:116.359 } ::sumAvg: 3.295 atom: 850 122T-HA A 4.17 ambi=1 { CA:62.83 } atom: 843 121T-H N 8.294 ambi=1 { N:116.359 } ::sumAvg: 4.93