# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 23 4E-H N 8.441 ambi=1 { N:122.014 } atom: 4 2D-HB2 B 2.664 ambi=2 { CB:41.319 } :: atom: 23 4E-H N 8.441 ambi=1 { N:122.014 } atom: 5 2D-HB3 B 2.538 ambi=2 { CB:41.319 } ::sumAvg: 4.79 atom: 53 7F-H N 8.076 ambi=1 { N:119.939 } atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } ::sumAvg: 4.635 atom: 53 7F-H N 8.076 ambi=1 { N:119.939 } atom: 34 5C-HA A 4.378 ambi=1 { CA:58.334 } ::sumAvg: 4.88 atom: 40 6Q-H N 8.426 ambi=1 { N:123.347 } atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } ::sumAvg: 4.54 atom: 53 7F-H N 8.076 ambi=1 { N:119.939 } atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } :: atom: 53 7F-H N 8.076 ambi=1 { N:119.939 } atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } ::sumAvg: 4.845 atom: 53 7F-H N 8.076 ambi=1 { N:119.939 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } ::sumAvg: 4.765 atom: 1044 119W-HE1 E1 10.18 ambi=1 { NE1:130.292 } atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } :: atom: 1044 119W-HE1 E1 10.18 ambi=1 { NE1:130.292 } atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } ::sumAvg: 4.485 atom: 82 10E-H N 8.426 ambi=1 { N:119.06 } atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } :: atom: 82 10E-H N 8.426 ambi=1 { N:119.06 } atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } ::sumAvg: 4.385 atom: 82 10E-H N 8.426 ambi=1 { N:119.06 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 4.795 atom: 82 10E-H N 8.426 ambi=1 { N:119.06 } atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } ::sumAvg: 4.59 atom: 82 10E-H N 8.426 ambi=1 { N:119.06 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.57 atom: 1044 119W-HE1 E1 10.18 ambi=1 { NE1:130.292 } atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } ::sumAvg: 4.715 atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } :: atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } ::sumAvg: 4.98 atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } ::sumAvg: 4.665 atom: 92 11L-H N 8.687 ambi=1 { N:123.045 } atom: 106 12K-HA A 4.641 ambi=1 { CA:53.781 } ::sumAvg: 4.95 atom: 92 11L-H N 8.687 ambi=1 { N:123.045 } atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } ::sumAvg: 4.72 atom: 92 11L-H N 8.687 ambi=1 { N:123.045 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } ::sumAvg: 4.84 atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 92 11L-H N 8.687 ambi=1 { N:123.045 } ::sumAvg: 4.84 atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 4.12 atom: 843 98A-H N 8.471 ambi=1 { N:123.489 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 4.72 atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 3.155 atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 94 11L-HB2 B 1.836 ambi=2 { CB:42.883 } :: atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 95 11L-HB3 B 1.661 ambi=2 { CB:42.883 } ::sumAvg: 4.96 atom: 121 13E-H N 8.441 ambi=1 { N:122.071 } atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } :: atom: 121 13E-H N 8.441 ambi=1 { N:122.071 } atom: 98 11L-HD2 D2 0.665 ambi=2 { CD2:24.1 } ::sumAvg: 4.915 atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } :: atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 98 11L-HD2 D2 0.665 ambi=2 { CD2:24.1 } ::sumAvg: 4.755 atom: 105 12K-H N 9.234 ambi=1 { N:126.537 } atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } ::sumAvg: 4.86 atom: 105 12K-H N 9.234 ambi=1 { N:126.537 } atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } ::sumAvg: 4.49 atom: 105 12K-H N 9.234 ambi=1 { N:126.537 } atom: 838 97A-HA A 5.024 ambi=1 { CA:50.753 } ::sumAvg: 4.945 atom: 105 12K-H N 9.234 ambi=1 { N:126.537 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.305 atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } atom: 106 12K-HA A 4.641 ambi=1 { CA:53.781 } ::sumAvg: 4.505 atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } atom: 107 12K-HB2 B 1.61 ambi=2 { CB:36.308 } :: atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } atom: 108 12K-HB3 B 1.398 ambi=2 { CB:36.308 } ::sumAvg: 4.755 atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 109 12K-HG2 G 1.249 ambi=2 { CG:24.525 } :: atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 110 12K-HG3 G 1.192 ambi=2 { CG:24.525 } ::sumAvg: 4.84 atom: 121 13E-H N 8.441 ambi=1 { N:122.071 } atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } ::sumAvg: 4.395 atom: 121 13E-H N 8.441 ambi=1 { N:122.071 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } ::sumAvg: 4.835 atom: 821 96K-H N 8.55 ambi=1 { N:120.135 } atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } ::sumAvg: 4.47 atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } ::sumAvg: 3.38 atom: 816 95G-H N 8.181 ambi=1 { N:109.438 } atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } ::sumAvg: 4.645 atom: 131 14L-H N 8.879 ambi=1 { N:127.489 } atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } :: atom: 131 14L-H N 8.879 ambi=1 { N:127.489 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } ::sumAvg: 4.295 atom: 131 14L-H N 8.879 ambi=1 { N:127.489 } atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } ::sumAvg: 3.175 atom: 131 14L-H N 8.879 ambi=1 { N:127.489 } atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } ::sumAvg: 4.765 atom: 816 95G-H N 8.181 ambi=1 { N:109.438 } atom: 135 14L-HG G 1.497 ambi=1 { CG:26.77 } ::sumAvg: 4.84 atom: 816 95G-H N 8.181 ambi=1 { N:109.438 } atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } :: atom: 816 95G-H N 8.181 ambi=1 { N:109.438 } atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } ::sumAvg: 4.005 atom: 796 92T-H N 8.45 ambi=1 { N:111.353 } atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } ::sumAvg: 3.4 atom: 809 94S-H N 7.891 ambi=1 { N:112.249 } atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } ::sumAvg: 4.965 atom: 796 92T-H N 8.45 ambi=1 { N:111.353 } atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } ::sumAvg: 4.46 atom: 809 94S-H N 7.891 ambi=1 { N:112.249 } atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } ::sumAvg: 4.33 atom: 155 17V-H N 8.581 ambi=1 { N:120.637 } atom: 784 91L-HA A 5.283 ambi=1 { CA:53.089 } ::sumAvg: 4.26 atom: 796 92T-H N 8.45 ambi=1 { N:111.353 } atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } ::sumAvg: 4.78 atom: 796 92T-H N 8.45 ambi=1 { N:111.353 } atom: 157 17V-HB B 2.365 ambi=1 { CB:32.848 } ::sumAvg: 4.28 atom: 778 90G-H N 8.236 ambi=1 { N:109.322 } atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } ::sumAvg: 4.165 atom: 796 92T-H N 8.45 ambi=1 { N:111.353 } atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } ::sumAvg: 4.63 atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } ::sumAvg: 4.87 atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 4.525 atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } atom: 659 76P-HA A 5.241 ambi=1 { CA:62.084 } ::sumAvg: 4.44 atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } ::sumAvg: 4.605 atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } ::sumAvg: 4.57 atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } ::sumAvg: 4.335 atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } ::sumAvg: 4.73 atom: 670 77V-H N 8.437 ambi=1 { N:116.09 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } ::sumAvg: 2.665 atom: 778 90G-H N 8.236 ambi=1 { N:109.322 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } ::sumAvg: 4.75 atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 4.87 atom: 778 90G-H N 8.236 ambi=1 { N:109.322 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 3.795 atom: 796 92T-H N 8.45 ambi=1 { N:111.353 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 4.125 atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 4.18 atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } :: atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } ::sumAvg: 4.565 atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } atom: 659 76P-HA A 5.241 ambi=1 { CA:62.084 } ::sumAvg: 3.425 atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } ::sumAvg: 4.53 atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } ::sumAvg: 4.775 atom: 770 89T-H N 8.045 ambi=1 { N:110.202 } atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } ::sumAvg: 4.585 atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 184 20L-HB2 B 1.498 ambi=2 { CB:45.131 } :: atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 185 20L-HB3 B 1.261 ambi=2 { CB:45.131 } ::sumAvg: 4.27 atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } :: atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } ::sumAvg: 4.24 atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } :: atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } ::sumAvg: 4.825 atom: 710 82E-H N 8.587 ambi=1 { N:124.826 } atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } :: atom: 710 82E-H N 8.587 ambi=1 { N:124.826 } atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } ::sumAvg: 3.98 atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } :: atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } ::sumAvg: 4.625 atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } atom: 751 87V-HA A 4.303 ambi=1 { CA:61.738 } ::sumAvg: 4.565 atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } ::sumAvg: 4.73 atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } atom: 770 89T-H N 8.045 ambi=1 { N:110.202 } ::sumAvg: 4.845 atom: 770 89T-H N 8.045 ambi=1 { N:110.202 } atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } ::sumAvg: 4.845 atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } ::sumAvg: 3.37 atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } ::sumAvg: 3.165 atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } ::sumAvg: 3.59 atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } ::sumAvg: 4.775 atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } ::sumAvg: 3.26 atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } ::sumAvg: 4.065 atom: 221 23R-H N 8.753 ambi=1 { N:126.579 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 221 23R-H N 8.753 ambi=1 { N:126.579 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 4.44 atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 4.58 atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 4.345 atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 4.4 atom: 778 90G-H N 8.236 ambi=1 { N:109.322 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 778 90G-H N 8.236 ambi=1 { N:109.322 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 3.97 atom: 783 91L-H N 8.297 ambi=1 { N:124.145 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 783 91L-H N 8.297 ambi=1 { N:124.145 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 4.985 atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } ::sumAvg: 4.685 atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } ::sumAvg: 3.375 atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } ::sumAvg: 3.375 atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } atom: 751 87V-HA A 4.303 ambi=1 { CA:61.738 } ::sumAvg: 4.58 atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } ::sumAvg: 4.84 atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } ::sumAvg: 4.84 atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } ::sumAvg: 3.55 atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } atom: 210 22I-HB B 0.238 ambi=1 { CB:40.245 } ::sumAvg: 4.725 atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } atom: 211 22I-HG12 G1 1.255 ambi=2 { CG1:28.881 } :: atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } atom: 212 22I-HG13 G1 0.717 ambi=2 { CG1:28.881 } ::sumAvg: 4.99 atom: 235 24T-H N 9.014 ambi=1 { N:119.704 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } ::sumAvg: 4.25 atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } ::sumAvg: 4.95 atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } ::sumAvg: 4.73 atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } ::sumAvg: 4.97 atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } ::sumAvg: 4.625 atom: 221 23R-H N 8.753 ambi=1 { N:126.579 } atom: 751 87V-HA A 4.303 ambi=1 { CA:61.738 } ::sumAvg: 4.72 atom: 221 23R-H N 8.753 ambi=1 { N:126.579 } atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } ::sumAvg: 4.975 atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } atom: 221 23R-H N 8.753 ambi=1 { N:126.579 } ::sumAvg: 4.975 atom: 619 71V-H N 8.952 ambi=1 { N:121.045 } atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } ::sumAvg: 4.78 atom: 235 24T-H N 9.014 ambi=1 { N:119.704 } atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } ::sumAvg: 4.715 atom: 235 24T-H N 9.014 ambi=1 { N:119.704 } atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } ::sumAvg: 4.77 atom: 235 24T-H N 9.014 ambi=1 { N:119.704 } atom: 613 70E-HG2 G 2.264 ambi=2 { CG:36.845 } :: atom: 235 24T-H N 9.014 ambi=1 { N:119.704 } atom: 614 70E-HG3 G 2.091 ambi=2 { CG:36.845 } ::sumAvg: 4.765 atom: 235 24T-H N 9.014 ambi=1 { N:119.704 } atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } ::sumAvg: 4.83 atom: 235 24T-H N 9.014 ambi=1 { N:119.704 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 3.245 atom: 249 25Q-HE21 E2 7.666 ambi=2 { NE2:111.827 } atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } :: atom: 250 25Q-HE22 E2 6.772 ambi=2 { NE2:111.827 } atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } ::sumAvg: 4.84 atom: 619 71V-H N 8.952 ambi=1 { N:121.045 } atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } ::sumAvg: 4.705 atom: 619 71V-H N 8.952 ambi=1 { N:121.045 } atom: 237 24T-HB B 4.153 ambi=1 { CB:69.091 } ::sumAvg: 4.675 atom: 256 26T-H N 8.857 ambi=1 { N:119.487 } atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } ::sumAvg: 4.99 atom: 619 71V-H N 8.952 ambi=1 { N:121.045 } atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } ::sumAvg: 4.28 atom: 243 25Q-H N 8.139 ambi=1 { N:122.157 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 243 25Q-H N 8.139 ambi=1 { N:122.157 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } ::sumAvg: 4.63 atom: 243 25Q-H N 8.139 ambi=1 { N:122.157 } atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } ::sumAvg: 4.485 atom: 243 25Q-H N 8.139 ambi=1 { N:122.157 } atom: 619 71V-H N 8.952 ambi=1 { N:121.045 } ::sumAvg: 4.51 atom: 619 71V-H N 8.952 ambi=1 { N:121.045 } atom: 243 25Q-H N 8.139 ambi=1 { N:122.157 } ::sumAvg: 4.51 atom: 243 25Q-H N 8.139 ambi=1 { N:122.157 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.25 atom: 619 71V-H N 8.952 ambi=1 { N:121.045 } atom: 244 25Q-HA A 5.133 ambi=1 { CA:54.819 } ::sumAvg: 2.895 atom: 596 69F-H N 8.451 ambi=1 { N:120.703 } atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } ::sumAvg: 4.305 atom: 249 25Q-HE21 E2 7.666 ambi=2 { NE2:111.827 } atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } :: atom: 250 25Q-HE22 E2 6.772 ambi=2 { NE2:111.827 } atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } ::sumAvg: 4.105 atom: 256 26T-H N 8.857 ambi=1 { N:119.487 } atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } ::sumAvg: 4.975 atom: 256 26T-H N 8.857 ambi=1 { N:119.487 } atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } :: atom: 256 26T-H N 8.857 ambi=1 { N:119.487 } atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } ::sumAvg: 4.245 atom: 256 26T-H N 8.857 ambi=1 { N:119.487 } atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } ::sumAvg: 4.005 atom: 256 26T-H N 8.857 ambi=1 { N:119.487 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 3.565 atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } ::sumAvg: 4.595 atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 4.715 atom: 299 31L-H N 7.214 ambi=1 { N:119.881 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 4.715 atom: 596 69F-H N 8.451 ambi=1 { N:120.703 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 4.175 atom: 264 27A-H N 8.332 ambi=1 { N:123.158 } atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } ::sumAvg: 4.175 atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } atom: 264 27A-H N 8.332 ambi=1 { N:123.158 } ::sumAvg: 4.175 atom: 264 27A-H N 8.332 ambi=1 { N:123.158 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 264 27A-H N 8.332 ambi=1 { N:123.158 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } ::sumAvg: 4.355 atom: 282 29S-H N 8.386 ambi=1 { N:111.369 } atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } ::sumAvg: 4.74 atom: 596 69F-H N 8.451 ambi=1 { N:120.703 } atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } ::sumAvg: 4.71 atom: 596 69F-H N 8.451 ambi=1 { N:120.703 } atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } ::sumAvg: 4.95 atom: 270 28M-H N 9.194 ambi=1 { N:121.11 } atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } ::sumAvg: 4.77 atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } atom: 270 28M-H N 9.194 ambi=1 { N:121.11 } ::sumAvg: 4.77 atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } atom: 271 28M-HA A 4.289 ambi=1 { CA:58.192 } ::sumAvg: 4.41 atom: 282 29S-H N 8.386 ambi=1 { N:111.369 } atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } ::sumAvg: 4.78 atom: 282 29S-H N 8.386 ambi=1 { N:111.369 } atom: 299 31L-H N 7.214 ambi=1 { N:119.881 } ::sumAvg: 4.605 atom: 299 31L-H N 7.214 ambi=1 { N:119.881 } atom: 282 29S-H N 8.386 ambi=1 { N:111.369 } ::sumAvg: 4.605 atom: 282 29S-H N 8.386 ambi=1 { N:111.369 } atom: 304 31L-HD1 D1 0.785 ambi=2 { CD1:25.765 } :: atom: 282 29S-H N 8.386 ambi=1 { N:111.369 } atom: 305 31L-HD2 D2 0.704 ambi=2 { CD2:24.886 } ::sumAvg: 4.95 atom: 299 31L-H N 7.214 ambi=1 { N:119.881 } atom: 283 29S-HA A 4.176 ambi=1 { CA:60.254 } ::sumAvg: 3.72 atom: 299 31L-H N 7.214 ambi=1 { N:119.881 } atom: 284 29S-HB2 B 3.989 ambi=2 { CB:62.344 } :: atom: 299 31L-H N 7.214 ambi=1 { N:119.881 } atom: 285 29S-HB3 B 3.862 ambi=2 { CB:62.344 } ::sumAvg: 4.86 atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } ::sumAvg: 4.615 atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } :: atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } atom: 302 31L-HB3 B 1.171 ambi=2 { CB:42.434 } ::sumAvg: 4.475 atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } atom: 304 31L-HD1 D1 0.785 ambi=2 { CD1:25.765 } :: atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } atom: 305 31L-HD2 D2 0.704 ambi=2 { CD2:24.886 } ::sumAvg: 4.025 atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } atom: 312 32G-H N 8.465 ambi=1 { N:104.605 } ::sumAvg: 4.48 atom: 312 32G-H N 8.465 ambi=1 { N:104.605 } atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } ::sumAvg: 4.48 atom: 312 32G-H N 8.465 ambi=1 { N:104.605 } atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } ::sumAvg: 3.8 atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } ::sumAvg: 3.565 atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } ::sumAvg: 4.285 atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } :: atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } ::sumAvg: 4.55 atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } ::sumAvg: 4.46 atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } ::sumAvg: 4.39 atom: 299 31L-H N 7.214 ambi=1 { N:119.881 } atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } ::sumAvg: 4.665 atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } atom: 299 31L-H N 7.214 ambi=1 { N:119.881 } ::sumAvg: 4.665 atom: 299 31L-H N 7.214 ambi=1 { N:119.881 } atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } ::sumAvg: 4.99 atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } atom: 299 31L-H N 7.214 ambi=1 { N:119.881 } ::sumAvg: 4.99 atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } ::sumAvg: 4.745 atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } ::sumAvg: 4.53 atom: 312 32G-H N 8.465 ambi=1 { N:104.605 } atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } ::sumAvg: 4.84 atom: 312 32G-H N 8.465 ambi=1 { N:104.605 } atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } ::sumAvg: 4.165 atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } atom: 312 32G-H N 8.465 ambi=1 { N:104.605 } ::sumAvg: 4.165 atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } :: atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } ::sumAvg: 4.415 atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } :: atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } ::sumAvg: 3.85 atom: 352 36E-H N 8.026 ambi=1 { N:118.798 } atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } :: atom: 352 36E-H N 8.026 ambi=1 { N:118.798 } atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } ::sumAvg: 4.85 atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } :: atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } ::sumAvg: 4.76 atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } ::sumAvg: 4.48 atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } ::sumAvg: 4.48 atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } atom: 318 33S-HA A 4.321 ambi=1 { CA:60.699 } ::sumAvg: 4.415 atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 4.475 atom: 368 38G-H N 8.667 ambi=1 { N:107.087 } atom: 325 34L-HA A 4.13 ambi=1 { CA:57.846 } ::sumAvg: 4.46 atom: 362 37A-H N 7.621 ambi=1 { N:118.487 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 362 37A-H N 7.621 ambi=1 { N:118.487 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } ::sumAvg: 4.99 atom: 368 38G-H N 8.667 ambi=1 { N:107.087 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 368 38G-H N 8.667 ambi=1 { N:107.087 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } ::sumAvg: 4.335 atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } atom: 354 36E-HB2 B 2.244 ambi=2 { CB:29.757 } :: atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } atom: 355 36E-HB3 B 2.113 ambi=2 { CB:29.757 } ::sumAvg: 4.655 atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } atom: 362 37A-H N 7.621 ambi=1 { N:118.487 } ::sumAvg: 4.27 atom: 362 37A-H N 7.621 ambi=1 { N:118.487 } atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } ::sumAvg: 4.445 atom: 352 36E-H N 8.026 ambi=1 { N:118.798 } atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } ::sumAvg: 4.43 atom: 368 38G-H N 8.667 ambi=1 { N:107.087 } atom: 352 36E-H N 8.026 ambi=1 { N:118.798 } ::sumAvg: 4.06 atom: 368 38G-H N 8.667 ambi=1 { N:107.087 } atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } ::sumAvg: 4.325 atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } ::sumAvg: 4.095 atom: 368 38G-H N 8.667 ambi=1 { N:107.087 } atom: 354 36E-HB2 B 2.244 ambi=2 { CB:29.757 } :: atom: 368 38G-H N 8.667 ambi=1 { N:107.087 } atom: 355 36E-HB3 B 2.113 ambi=2 { CB:29.757 } ::sumAvg: 4.95 atom: 362 37A-H N 7.621 ambi=1 { N:118.487 } atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } ::sumAvg: 4.485 atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } atom: 362 37A-H N 7.621 ambi=1 { N:118.487 } ::sumAvg: 4.485 atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } ::sumAvg: 4.545 atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } ::sumAvg: 4.775 atom: 386 40H-H N 7.357 ambi=1 { N:115.64 } atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } ::sumAvg: 4.905 atom: 368 38G-H N 8.667 ambi=1 { N:107.087 } atom: 386 40H-H N 7.357 ambi=1 { N:115.64 } ::sumAvg: 4.13 atom: 386 40H-H N 7.357 ambi=1 { N:115.64 } atom: 368 38G-H N 8.667 ambi=1 { N:107.087 } ::sumAvg: 4.13 atom: 386 40H-H N 7.357 ambi=1 { N:115.64 } atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } :: atom: 386 40H-H N 7.357 ambi=1 { N:115.64 } atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } ::sumAvg: 4.39 atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } atom: 388 40H-HB2 B 3.551 ambi=2 { CB:28.523 } :: atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } atom: 389 40H-HB3 B 3.514 ambi=2 { CB:28.523 } ::sumAvg: 4.82 atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } atom: 393 41D-H N 8.476 ambi=1 { N:120.822 } ::sumAvg: 4.37 atom: 393 41D-H N 8.476 ambi=1 { N:120.822 } atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } ::sumAvg: 4.37 atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } atom: 634 73F-QE E 6.997 ambi=3 { CE1:129.063 } ::sumAvg: 4.065 atom: 393 41D-H N 8.476 ambi=1 { N:120.822 } atom: 374 39Y-HA A 4.656 ambi=1 { CA:61.969 } ::sumAvg: 4.17 atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } ::sumAvg: 4.305 atom: 397 44Q-H N 8.429 ambi=1 { N:119.06 } atom: 399 44Q-HG3 G 2.175 ambi=2 {attached_atom is not_assigned} ::sumAvg: 3.205 atom: 397 44Q-H N 8.429 ambi=1 { N:119.06 } atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } :: atom: 397 44Q-H N 8.429 ambi=1 { N:119.06 } atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } ::sumAvg: 4.76 atom: 400 44Q-HE21 E2 7.5 ambi=2 { NE2:113.252 } atom: 398 44Q-HA A 4.046 ambi=1 {attached_atom is not_assigned} :: atom: 401 44Q-HE22 E2 6.736 ambi=2 { NE2:113.252 } atom: 398 44Q-HA A 4.046 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.155 atom: 415 46L-H N 8.224 ambi=1 { N:120.232 } atom: 398 44Q-HA A 4.046 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.235 atom: 404 45L-H N 7.841 ambi=1 { N:123.663 } atom: 399 44Q-HG3 G 2.175 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.18 atom: 404 45L-H N 7.841 ambi=1 { N:123.663 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 404 45L-H N 7.841 ambi=1 { N:123.663 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 4.795 atom: 404 45L-H N 7.841 ambi=1 { N:123.663 } atom: 428 47A-H N 8.521 ambi=1 { N:122.562 } ::sumAvg: 4.19 atom: 428 47A-H N 8.521 ambi=1 { N:122.562 } atom: 404 45L-H N 7.841 ambi=1 { N:123.663 } ::sumAvg: 4.19 atom: 404 45L-H N 7.841 ambi=1 { N:123.663 } atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } ::sumAvg: 4.97 atom: 415 46L-H N 8.224 ambi=1 { N:120.232 } atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } ::sumAvg: 3.365 atom: 428 47A-H N 8.521 ambi=1 { N:122.562 } atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } ::sumAvg: 4.905 atom: 434 48G-H N 8.168 ambi=1 { N:106.088 } atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } ::sumAvg: 4.395 atom: 445 49Q-HE21 E2 7.645 ambi=2 { NE2:110.406 } atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } :: atom: 446 49Q-HE22 E2 6.605 ambi=2 { NE2:110.406 } atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } ::sumAvg: 4.91 atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } :: atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } ::sumAvg: 4.965 atom: 710 82E-H N 8.587 ambi=1 { N:124.826 } atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } :: atom: 710 82E-H N 8.587 ambi=1 { N:124.826 } atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } ::sumAvg: 3.865 atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } :: atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } ::sumAvg: 4.69 atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } :: atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } ::sumAvg: 4.87 atom: 415 46L-H N 8.224 ambi=1 { N:120.232 } atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } ::sumAvg: 4.975 atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } atom: 415 46L-H N 8.224 ambi=1 { N:120.232 } ::sumAvg: 4.975 atom: 415 46L-H N 8.224 ambi=1 { N:120.232 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 4.815 atom: 434 48G-H N 8.168 ambi=1 { N:106.088 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } ::sumAvg: 4.425 atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } ::sumAvg: 3.95 atom: 445 49Q-HE21 E2 7.645 ambi=2 { NE2:110.406 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } :: atom: 446 49Q-HE22 E2 6.605 ambi=2 { NE2:110.406 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } ::sumAvg: 4.995 atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } ::sumAvg: 4.845 atom: 434 48G-H N 8.168 ambi=1 { N:106.088 } atom: 417 46L-HB2 B 1.807 ambi=2 { CB:41.318 } :: atom: 434 48G-H N 8.168 ambi=1 { N:106.088 } atom: 418 46L-HB3 B 1.176 ambi=2 { CB:41.318 } ::sumAvg: 4.705 atom: 428 47A-H N 8.521 ambi=1 { N:122.562 } atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } ::sumAvg: 4.21 atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } atom: 428 47A-H N 8.521 ambi=1 { N:122.562 } ::sumAvg: 4.21 atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } ::sumAvg: 4.015 atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } ::sumAvg: 3.585 atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } ::sumAvg: 4.56 atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } ::sumAvg: 4.69 atom: 434 48G-H N 8.168 ambi=1 { N:106.088 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 434 48G-H N 8.168 ambi=1 { N:106.088 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } ::sumAvg: 4.585 atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } ::sumAvg: 4.775 atom: 457 51K-H N 7.93 ambi=1 { N:118.185 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 457 51K-H N 7.93 ambi=1 { N:118.185 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } ::sumAvg: 3.855 atom: 445 49Q-HE21 E2 7.645 ambi=2 { NE2:110.406 } atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } :: atom: 446 49Q-HE22 E2 6.605 ambi=2 { NE2:110.406 } atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } ::sumAvg: 3.42 atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } atom: 458 51K-HA A 4.793 ambi=1 { CA:53.801 } ::sumAvg: 4.935 atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } atom: 459 51K-HB2 B 1.803 ambi=2 { CB:36.653 } :: atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } ::sumAvg: 4.58 atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } ::sumAvg: 3.99 atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } atom: 463 51K-HD2 D 1.514 ambi=2 { CD:28.464 } :: atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } atom: 464 51K-HD3 D 1.673 ambi=2 { CD:28.464 } ::sumAvg: 4.77 atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } atom: 459 51K-HB2 B 1.803 ambi=2 { CB:36.653 } :: atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } ::sumAvg: 4.785 atom: 473 52S-H N 8.303 ambi=1 { N:114.683 } atom: 480 53P-HA A 4.483 ambi=1 { CA:62.949 } ::sumAvg: 4.99 atom: 473 52S-H N 8.303 ambi=1 { N:114.683 } atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } :: atom: 473 52S-H N 8.303 ambi=1 { N:114.683 } atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } ::sumAvg: 4.98 atom: 473 52S-H N 8.303 ambi=1 { N:114.683 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 4.015 atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } atom: 480 53P-HA A 4.483 ambi=1 { CA:62.949 } ::sumAvg: 4.825 atom: 491 54S-H N 9.107 ambi=1 { N:116.685 } atom: 499 55G-HA2 A 4.26 ambi=2 { CA:45.066 } :: atom: 491 54S-H N 9.107 ambi=1 { N:116.685 } atom: 500 55G-HA3 A 4.083 ambi=2 { CA:45.066 } ::sumAvg: 4.71 atom: 491 54S-H N 9.107 ambi=1 { N:116.685 } atom: 670 77V-H N 8.437 ambi=1 { N:116.09 } ::sumAvg: 4.81 atom: 670 77V-H N 8.437 ambi=1 { N:116.09 } atom: 491 54S-H N 9.107 ambi=1 { N:116.685 } ::sumAvg: 4.81 atom: 491 54S-H N 9.107 ambi=1 { N:116.685 } atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } ::sumAvg: 4.525 atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } atom: 491 54S-H N 9.107 ambi=1 { N:116.685 } ::sumAvg: 4.525 atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } ::sumAvg: 3.935 atom: 1194 135Y-H N 8.321 ambi=1 { N:129.141 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } ::sumAvg: 4.205 atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } ::sumAvg: 4.735 atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } :: atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } ::sumAvg: 4.06 atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 3.43 atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } :: atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } ::sumAvg: 4.29 atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } ::sumAvg: 4.395 atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } :: atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } ::sumAvg: 4.3 atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } ::sumAvg: 4.915 atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } ::sumAvg: 4.77 atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } :: atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } ::sumAvg: 4.82 atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 4.89 atom: 1194 135Y-H N 8.321 ambi=1 { N:129.141 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 4.31 atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } ::sumAvg: 4.785 atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } atom: 629 73F-HA A 4.74 ambi=1 { CA:60.685 } ::sumAvg: 4.825 atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 4.63 atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 4.45 atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 4.72 atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 4.225 atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } ::sumAvg: 4.69 atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } ::sumAvg: 4.69 atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } ::sumAvg: 3.235 atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } atom: 1186 134I-HG2 G2 0.761 ambi=1 { CG2:18.398 } ::sumAvg: 4.375 atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } atom: 1194 135Y-H N 8.321 ambi=1 { N:129.141 } ::sumAvg: 4.635 atom: 1194 135Y-H N 8.321 ambi=1 { N:129.141 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } ::sumAvg: 4.635 atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } ::sumAvg: 4.31 atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } ::sumAvg: 4.48 atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } ::sumAvg: 4.655 atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 4.81 atom: 1194 135Y-H N 8.321 ambi=1 { N:129.141 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 4.9 atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } ::sumAvg: 4.985 atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } ::sumAvg: 4.85 atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } atom: 629 73F-HA A 4.74 ambi=1 { CA:60.685 } ::sumAvg: 3.465 atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 4.615 atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } ::sumAvg: 4.72 atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } ::sumAvg: 4.795 atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } ::sumAvg: 4.575 atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } ::sumAvg: 3.725 atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } ::sumAvg: 4.68 atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } ::sumAvg: 4.965 atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } ::sumAvg: 4.93 atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } ::sumAvg: 4.73 atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } ::sumAvg: 4.68 atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 3.365 atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } ::sumAvg: 4.41 atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } ::sumAvg: 3.56 atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } :: atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } ::sumAvg: 4.02 atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } ::sumAvg: 4.9 atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } ::sumAvg: 4.23 atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } ::sumAvg: 4.97 atom: 547 62F-H N 8.876 ambi=1 { N:121.534 } atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } ::sumAvg: 4.75 atom: 547 62F-H N 8.876 ambi=1 { N:121.534 } atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } ::sumAvg: 3.595 atom: 547 62F-H N 8.876 ambi=1 { N:121.534 } atom: 613 70E-HG2 G 2.264 ambi=2 { CG:36.845 } :: atom: 547 62F-H N 8.876 ambi=1 { N:121.534 } atom: 614 70E-HG3 G 2.091 ambi=2 { CG:36.845 } ::sumAvg: 4.32 atom: 547 62F-H N 8.876 ambi=1 { N:121.534 } atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } ::sumAvg: 3.35 atom: 547 62F-H N 8.876 ambi=1 { N:121.534 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 3.895 atom: 565 64M-H N 8.332 ambi=1 { N:119.204 } atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } ::sumAvg: 4.715 atom: 609 70E-H N 8.655 ambi=1 { N:120.157 } atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } ::sumAvg: 4.86 atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } ::sumAvg: 3.67 atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } atom: 566 64M-HA A 4.733 ambi=1 { CA:56.635 } ::sumAvg: 4.805 atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } atom: 567 64M-HB2 B 1.688 ambi=2 { CB:33.167 } :: atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } atom: 568 64M-HB3 B 1.636 ambi=2 { CB:33.167 } ::sumAvg: 4.97 atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } atom: 569 64M-HG2 G 2.097 ambi=2 { CG:32.07 } :: atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } atom: 570 64M-HG3 G 2.071 ambi=2 { CG:32.07 } ::sumAvg: 4.17 atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } atom: 571 64M-HE E 1.564 ambi=1 { CE:16.65 } ::sumAvg: 4.735 atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } atom: 1143 130E-HA A 5.128 ambi=1 { CA:55.251 } ::sumAvg: 4.265 atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } ::sumAvg: 4.815 atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } ::sumAvg: 4.835 atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } ::sumAvg: 4.835 atom: 577 65S-H N 7.863 ambi=1 { N:117.577 } atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } :: atom: 577 65S-H N 7.863 ambi=1 { N:117.577 } atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } ::sumAvg: 4.675 atom: 609 70E-H N 8.655 ambi=1 { N:120.157 } atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } :: atom: 609 70E-H N 8.655 ambi=1 { N:120.157 } atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } ::sumAvg: 3.82 atom: 565 64M-H N 8.332 ambi=1 { N:119.204 } atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } ::sumAvg: 4.92 atom: 577 65S-H N 7.863 ambi=1 { N:117.577 } atom: 579 66A-HA A 4.364 ambi=1 { CA:52.743 } ::sumAvg: 4.89 atom: 577 65S-H N 7.863 ambi=1 { N:117.577 } atom: 580 66A-HB B 1.471 ambi=1 { CB:18.805 } ::sumAvg: 4.475 atom: 588 68T-H N 7.98 ambi=1 { N:116.033 } atom: 579 66A-HA A 4.364 ambi=1 { CA:52.743 } ::sumAvg: 4.92 atom: 588 68T-H N 7.98 ambi=1 { N:116.033 } atom: 580 66A-HB B 1.471 ambi=1 { CB:18.805 } ::sumAvg: 3.9 atom: 583 67G-H N 8.429 ambi=1 { N:107.558 } atom: 589 68T-HA A 4.811 ambi=1 { CA:60.959 } ::sumAvg: 4.935 atom: 596 69F-H N 8.451 ambi=1 { N:120.703 } atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } ::sumAvg: 4.895 atom: 609 70E-H N 8.655 ambi=1 { N:120.157 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.125 atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } atom: 629 73F-HA A 4.74 ambi=1 { CA:60.685 } ::sumAvg: 4.63 atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } ::sumAvg: 4.595 atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } :: atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } ::sumAvg: 4.65 atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 4.79 atom: 690 79G-H N 8.331 ambi=1 { N:106.634 } atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } ::sumAvg: 4.635 atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } atom: 672 77V-HB B 2.165 ambi=1 { CB:36.481 } ::sumAvg: 4.49 atom: 695 80G-H N 8.468 ambi=1 { N:109.606 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 695 80G-H N 8.468 ambi=1 { N:109.606 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 4.28 atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 3.56 atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } :: atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } ::sumAvg: 4.75 atom: 695 80G-H N 8.468 ambi=1 { N:109.606 } atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } :: atom: 695 80G-H N 8.468 ambi=1 { N:109.606 } atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } ::sumAvg: 4.92 atom: 690 79G-H N 8.331 ambi=1 { N:106.634 } atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } ::sumAvg: 3.83 atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } atom: 690 79G-H N 8.331 ambi=1 { N:106.634 } ::sumAvg: 3.83 atom: 690 79G-H N 8.331 ambi=1 { N:106.634 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 2.625 atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } :: atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } ::sumAvg: 3.945 atom: 695 80G-H N 8.468 ambi=1 { N:109.606 } atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } ::sumAvg: 4.93 atom: 695 80G-H N 8.468 ambi=1 { N:109.606 } atom: 702 81V-HB B 1.921 ambi=1 { CB:32.856 } ::sumAvg: 4.985 atom: 695 80G-H N 8.468 ambi=1 { N:109.606 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 3.325 atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } ::sumAvg: 4.675 atom: 720 83G-H N 8.344 ambi=1 { N:106.54 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 4.765 atom: 720 83G-H N 8.344 ambi=1 { N:106.54 } atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } ::sumAvg: 4.6 atom: 725 84S-H N 8.058 ambi=1 { N:112.042 } atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } ::sumAvg: 4.85 atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } atom: 725 84S-H N 8.058 ambi=1 { N:112.042 } ::sumAvg: 4.85 atom: 725 84S-H N 8.058 ambi=1 { N:112.042 } atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } ::sumAvg: 4.245 atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } atom: 727 84S-HB2 B 3.944 ambi=2 { CB:64.247 } :: atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } ::sumAvg: 4.715 atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } atom: 727 84S-HB2 B 3.944 ambi=2 { CB:64.247 } :: atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } ::sumAvg: 4.335 atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } ::sumAvg: 4.05 atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } ::sumAvg: 4.05 atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } :: atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } ::sumAvg: 4.785 atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } :: atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } ::sumAvg: 4.32 atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } atom: 733 85G-HA2 A 4.016 ambi=2 { CA:46.861 } :: atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } atom: 734 85G-HA3 A 3.695 ambi=2 { CA:46.861 } ::sumAvg: 4.14 atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } :: atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } ::sumAvg: 4.105 atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } :: atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } ::sumAvg: 4.575 atom: 778 90G-H N 8.236 ambi=1 { N:109.322 } atom: 784 91L-HA A 5.283 ambi=1 { CA:53.089 } ::sumAvg: 4.58 atom: 796 92T-H N 8.45 ambi=1 { N:111.353 } atom: 804 93P-QD D 3.635 ambi=2 { CD:49.981 } ::sumAvg: 4.04 atom: 816 95G-H N 8.181 ambi=1 { N:109.438 } atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } ::sumAvg: 4.7 atom: 821 96K-H N 8.55 ambi=1 { N:120.135 } atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } ::sumAvg: 4.61 atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } ::sumAvg: 4.73 atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.64 atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } ::sumAvg: 4.8 atom: 1381 155L-H N 8.608 ambi=1 { N:122.078 } atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } ::sumAvg: 4.265 atom: 843 98A-H N 8.471 ambi=1 { N:123.489 } atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } :: atom: 843 98A-H N 8.471 ambi=1 { N:123.489 } atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } ::sumAvg: 4.965 atom: 843 98A-H N 8.471 ambi=1 { N:123.489 } atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } :: atom: 843 98A-H N 8.471 ambi=1 { N:123.489 } atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } ::sumAvg: 4.995 atom: 843 98A-H N 8.471 ambi=1 { N:123.489 } atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } ::sumAvg: 4.65 atom: 843 98A-H N 8.471 ambi=1 { N:123.489 } atom: 1383 155L-HB2 B 1.567 ambi=2 { CB:42.795 } :: atom: 843 98A-H N 8.471 ambi=1 { N:123.489 } atom: 1384 155L-HB3 B 1.463 ambi=2 { CB:42.795 } ::sumAvg: 4.37 atom: 843 98A-H N 8.471 ambi=1 { N:123.489 } atom: 1385 155L-HG G 1.541 ambi=1 { CG:26.77 } ::sumAvg: 3.76 atom: 1362 153L-H N 9.429 ambi=1 { N:123.639 } atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } ::sumAvg: 4.925 atom: 1044 119W-HE1 E1 10.18 ambi=1 { NE1:130.292 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 4.715 atom: 1381 155L-H N 8.608 ambi=1 { N:122.078 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 4.2 atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } ::sumAvg: 4.875 atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.18 atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } ::sumAvg: 4.74 atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.95 atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.75 atom: 1362 153L-H N 9.429 ambi=1 { N:123.639 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.82 atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.43 atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } ::sumAvg: 4.22 atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } ::sumAvg: 4.895 atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } ::sumAvg: 4.625 atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 4.76 atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 2.795 atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } ::sumAvg: 4.535 atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } ::sumAvg: 4.425 atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } ::sumAvg: 4.42 atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } ::sumAvg: 3.38 atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } atom: 865 101L-HB2 B 1.901 ambi=2 { CB:42.884 } :: atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } atom: 866 101L-HB3 B 1.311 ambi=2 { CB:42.884 } ::sumAvg: 4.98 atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.62 atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } ::sumAvg: 4.35 atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } ::sumAvg: 4.675 atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } ::sumAvg: 3.515 atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 3.68 atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } ::sumAvg: 3.305 atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.08 atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } atom: 877 102Y-HA A 4.726 ambi=1 { CA:57.067 } ::sumAvg: 4.835 atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } :: atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } ::sumAvg: 3.81 atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } :: atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } ::sumAvg: 4.96 atom: 902 104G-H N 8.592 ambi=1 { N:115.08 } atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } ::sumAvg: 4.685 atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } ::sumAvg: 4.02 atom: 923 108E-H N 7.194 ambi=1 { N:117.953 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } ::sumAvg: 4.72 atom: 889 103I-H N 7.164 ambi=1 { N:127.489 } atom: 903 104G-HA2 A 4.256 ambi=2 { CA:44.179 } :: atom: 889 103I-H N 7.164 ambi=1 { N:127.489 } atom: 904 104G-HA3 A 3.786 ambi=2 { CA:44.179 } ::sumAvg: 4.88 atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } ::sumAvg: 4.885 atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } ::sumAvg: 4.24 atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } ::sumAvg: 4.855 atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } ::sumAvg: 4.585 atom: 902 104G-H N 8.592 ambi=1 { N:115.08 } atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } ::sumAvg: 4.85 atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } atom: 902 104G-H N 8.592 ambi=1 { N:115.08 } ::sumAvg: 4.85 atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } atom: 902 104G-H N 8.592 ambi=1 { N:115.08 } ::sumAvg: 3.92 atom: 902 104G-H N 8.592 ambi=1 { N:115.08 } atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } :: atom: 902 104G-H N 8.592 ambi=1 { N:115.08 } atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } ::sumAvg: 4.91 atom: 902 104G-H N 8.592 ambi=1 { N:115.08 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } ::sumAvg: 4.68 atom: 918 107G-H N 6.921 ambi=1 { N:105.044 } atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } ::sumAvg: 4.845 atom: 918 107G-H N 6.921 ambi=1 { N:105.044 } atom: 936 109I-HG12 G1 1.004 ambi=2 { CG1:27.197 } :: atom: 918 107G-H N 6.921 ambi=1 { N:105.044 } atom: 937 109I-HG13 G1 0.981 ambi=2 { CG1:27.197 } ::sumAvg: 4.835 atom: 918 107G-H N 6.921 ambi=1 { N:105.044 } atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } ::sumAvg: 4.82 atom: 918 107G-H N 6.921 ambi=1 { N:105.044 } atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } ::sumAvg: 4.72 atom: 923 108E-H N 7.194 ambi=1 { N:117.953 } atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } ::sumAvg: 4.875 atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } atom: 924 108E-HA A 4.737 ambi=1 { CA:55.101 } ::sumAvg: 3.295 atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } atom: 924 108E-HA A 4.737 ambi=1 { CA:55.101 } ::sumAvg: 4.12 atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } :: atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } atom: 926 108E-HB3 B 1.799 ambi=2 { CB:30.182 } ::sumAvg: 4.105 atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } :: atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } atom: 926 108E-HB3 B 1.799 ambi=2 { CB:30.182 } ::sumAvg: 3.85 atom: 933 109I-H N 7.211 ambi=1 { N:121.252 } atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } :: atom: 933 109I-H N 7.211 ambi=1 { N:121.252 } atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } ::sumAvg: 4.775 atom: 933 109I-H N 7.211 ambi=1 { N:121.252 } atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } ::sumAvg: 4.355 atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } atom: 933 109I-H N 7.211 ambi=1 { N:121.252 } ::sumAvg: 4.355 atom: 933 109I-H N 7.211 ambi=1 { N:121.252 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 933 109I-H N 7.211 ambi=1 { N:121.252 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.88 atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } ::sumAvg: 4.765 atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } ::sumAvg: 4.605 atom: 962 112V-H N 7.405 ambi=1 { N:117.751 } atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } ::sumAvg: 4.615 atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } ::sumAvg: 4.28 atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 4.34 atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } atom: 962 112V-H N 7.405 ambi=1 { N:117.751 } ::sumAvg: 4.325 atom: 962 112V-H N 7.405 ambi=1 { N:117.751 } atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } ::sumAvg: 4.325 atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.545 atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } ::sumAvg: 4.805 atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } ::sumAvg: 4.805 atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } :: atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } ::sumAvg: 4.72 atom: 962 112V-H N 7.405 ambi=1 { N:117.751 } atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } ::sumAvg: 4.25 atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } ::sumAvg: 3.99 atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 950 110E-QG G 2.198 ambi=2 { CG:35.9 } ::sumAvg: 4.86 atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } atom: 950 110E-QG G 2.198 ambi=2 { CG:35.9 } ::sumAvg: 4.92 atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 3.95 atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } ::sumAvg: 3.945 atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } ::sumAvg: 3.945 atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } :: atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } ::sumAvg: 4.84 atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } ::sumAvg: 4.76 atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } ::sumAvg: 4.76 atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } ::sumAvg: 4.465 atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } ::sumAvg: 3.755 atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 4.395 atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 4.75 atom: 962 112V-H N 7.405 ambi=1 { N:117.751 } atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } :: atom: 962 112V-H N 7.405 ambi=1 { N:117.751 } atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } ::sumAvg: 4.44 atom: 962 112V-H N 7.405 ambi=1 { N:117.751 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } ::sumAvg: 4.85 atom: 962 112V-H N 7.405 ambi=1 { N:117.751 } atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } ::sumAvg: 4.065 atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } atom: 962 112V-H N 7.405 ambi=1 { N:117.751 } ::sumAvg: 4.065 atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } atom: 963 112V-HA A 3.364 ambi=1 { CA:63.382 } ::sumAvg: 4.29 atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } atom: 963 112V-HA A 3.364 ambi=1 { CA:63.382 } ::sumAvg: 4.6 atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.695 atom: 992 115A-H N 7.305 ambi=1 { N:121.563 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 992 115A-H N 7.305 ambi=1 { N:121.563 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.41 atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.095 atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.72 atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 987 114D-HB2 B 2.753 ambi=2 { CB:40.46 } :: atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 988 114D-HB3 B 2.647 ambi=2 { CB:40.46 } ::sumAvg: 4.805 atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } ::sumAvg: 4.94 atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } ::sumAvg: 4.94 atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.695 atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.88 atom: 992 115A-H N 7.305 ambi=1 { N:121.563 } atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } ::sumAvg: 4.24 atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } ::sumAvg: 3.52 atom: 1011 117M-H N 8.72 ambi=1 { N:117.988 } atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } ::sumAvg: 4.525 atom: 1011 117M-H N 8.72 ambi=1 { N:117.988 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } ::sumAvg: 4.71 atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } ::sumAvg: 4.42 atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } ::sumAvg: 4.42 atom: 1011 117M-H N 8.72 ambi=1 { N:117.988 } atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } ::sumAvg: 3.955 atom: 1023 118K-H N 7.824 ambi=1 { N:120.157 } atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } ::sumAvg: 4.74 atom: 992 115A-H N 7.305 ambi=1 { N:121.563 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } :: atom: 992 115A-H N 7.305 ambi=1 { N:121.563 } atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } ::sumAvg: 4.725 atom: 992 115A-H N 7.305 ambi=1 { N:121.563 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 992 115A-H N 7.305 ambi=1 { N:121.563 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.815 atom: 1011 117M-H N 8.72 ambi=1 { N:117.988 } atom: 992 115A-H N 7.305 ambi=1 { N:121.563 } ::sumAvg: 4.17 atom: 1011 117M-H N 8.72 ambi=1 { N:117.988 } atom: 993 115A-HA A 4.179 ambi=1 { CA:55.251 } ::sumAvg: 4.31 atom: 1011 117M-H N 8.72 ambi=1 { N:117.988 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } ::sumAvg: 4.54 atom: 1023 118K-H N 7.824 ambi=1 { N:120.157 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } ::sumAvg: 4.675 atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } atom: 1013 117M-HB2 B 2.207 ambi=2 { CB:35.703 } :: atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } atom: 1014 117M-HB3 B 2.033 ambi=2 { CB:35.703 } ::sumAvg: 4.925 atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } atom: 1023 118K-H N 7.824 ambi=1 { N:120.157 } ::sumAvg: 4.055 atom: 1039 119W-H N 8.358 ambi=1 { N:120.824 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 1039 119W-H N 8.358 ambi=1 { N:120.824 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.76 atom: 1058 120V-H N 9.128 ambi=1 { N:120.314 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 1058 120V-H N 9.128 ambi=1 { N:120.314 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.96 atom: 1011 117M-H N 8.72 ambi=1 { N:117.988 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1011 117M-H N 8.72 ambi=1 { N:117.988 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.61 atom: 1039 119W-H N 8.358 ambi=1 { N:120.824 } atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } ::sumAvg: 4.32 atom: 1058 120V-H N 9.128 ambi=1 { N:120.314 } atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } ::sumAvg: 3.845 atom: 1023 118K-H N 7.824 ambi=1 { N:120.157 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } ::sumAvg: 4.325 atom: 1075 122D-H N 8.788 ambi=1 { N:120.075 } atom: 1024 118K-HA A 4.191 ambi=1 { CA:59.155 } ::sumAvg: 4.74 atom: 1039 119W-H N 8.358 ambi=1 { N:120.824 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1039 119W-H N 8.358 ambi=1 { N:120.824 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.005 atom: 1044 119W-HE1 E1 10.18 ambi=1 { NE1:130.292 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } ::sumAvg: 4.405 atom: 1068 121D-H N 7.829 ambi=1 { N:120.137 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } ::sumAvg: 4.86 atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } atom: 1043 119W-HD1 D1 7.405 ambi=1 { CD1:127.331 } :: atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } atom: 1043 119W-HD1 D1 7.405 ambi=1 { CD1:127.331 } ::sumAvg: 4.655 atom: 1044 119W-HE1 E1 10.18 ambi=1 { NE1:130.292 } atom: 1048 119W-HH2 H2 7.111 ambi=1 { CH2:123.806 } ::sumAvg: 4.955 atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } :: atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } ::sumAvg: 3.96 atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } :: atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } ::sumAvg: 4.355 atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } atom: 1048 119W-HH2 H2 7.111 ambi=1 { CH2:123.806 } :: atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } atom: 1048 119W-HH2 H2 7.111 ambi=1 { CH2:123.806 } ::sumAvg: 4.84 atom: 1058 120V-H N 9.128 ambi=1 { N:120.314 } atom: 1070 121D-HB2 B 2.822 ambi=2 { CB:41.065 } :: atom: 1058 120V-H N 9.128 ambi=1 { N:120.314 } atom: 1071 121D-HB3 B 2.882 ambi=2 { CB:41.065 } ::sumAvg: 4.865 atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } atom: 1058 120V-H N 9.128 ambi=1 { N:120.314 } ::sumAvg: 4.68 atom: 1075 122D-H N 8.788 ambi=1 { N:120.075 } atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } ::sumAvg: 4.27 atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } :: atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } ::sumAvg: 4.22 atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } ::sumAvg: 4.23 atom: 1075 122D-H N 8.788 ambi=1 { N:120.075 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1075 122D-H N 8.788 ambi=1 { N:120.075 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.465 atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.58 atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } :: atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.71 atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.005 atom: 1097 125F-H N 7.558 ambi=1 { N:117.637 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1097 125F-H N 7.558 ambi=1 { N:117.637 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 2.855 atom: 1068 121D-H N 7.829 ambi=1 { N:120.137 } atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } ::sumAvg: 4.1 atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } atom: 1068 121D-H N 7.829 ambi=1 { N:120.137 } ::sumAvg: 4.1 atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } ::sumAvg: 4.33 atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } ::sumAvg: 3.705 atom: 1097 125F-H N 7.558 ambi=1 { N:117.637 } atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } ::sumAvg: 4.5 atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } atom: 1070 121D-HB2 B 2.822 ambi=2 { CB:41.065 } :: atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } atom: 1071 121D-HB3 B 2.882 ambi=2 { CB:41.065 } ::sumAvg: 4.96 atom: 1075 122D-H N 8.788 ambi=1 { N:120.075 } atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } :: atom: 1075 122D-H N 8.788 ambi=1 { N:120.075 } atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } ::sumAvg: 4.63 atom: 1075 122D-H N 8.788 ambi=1 { N:120.075 } atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } ::sumAvg: 3.995 atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } atom: 1075 122D-H N 8.788 ambi=1 { N:120.075 } ::sumAvg: 3.995 atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } atom: 1076 122D-HA A 4.276 ambi=1 { CA:56.808 } ::sumAvg: 4.28 atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } :: atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } :: atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } :: atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } ::sumAvg: 4.185 atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } :: atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } ::sumAvg: 4.72 atom: 1097 125F-H N 7.558 ambi=1 { N:117.637 } atom: 1083 123N-HA A 4.182 ambi=1 { CA:53.826 } ::sumAvg: 4.96 atom: 1097 125F-H N 7.558 ambi=1 { N:117.637 } atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } :: atom: 1097 125F-H N 7.558 ambi=1 { N:117.637 } atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } ::sumAvg: 3.81 atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } :: atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } ::sumAvg: 4.835 atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } atom: 1098 125F-HA A 4.994 ambi=1 { CA:55.703 } ::sumAvg: 4.93 atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } atom: 1099 125F-HB2 B 3.439 ambi=2 { CB:41.642 } :: atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } atom: 1100 125F-HB3 B 2.795 ambi=2 { CB:41.642 } ::sumAvg: 4.975 atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } ::sumAvg: 4.75 atom: 1097 125F-H N 7.558 ambi=1 { N:117.637 } atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } ::sumAvg: 4.97 atom: 1097 125F-H N 7.558 ambi=1 { N:117.637 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1097 125F-H N 7.558 ambi=1 { N:117.637 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.655 atom: 1110 126D-H N 8.892 ambi=1 { N:119.043 } atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } :: atom: 1110 126D-H N 8.892 ambi=1 { N:119.043 } atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } ::sumAvg: 4.485 atom: 1110 126D-H N 8.892 ambi=1 { N:119.043 } atom: 1385 155L-HG G 1.541 ambi=1 { CG:26.77 } ::sumAvg: 4.66 atom: 1117 127L-H N 8.789 ambi=1 { N:122.545 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1117 127L-H N 8.789 ambi=1 { N:122.545 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.835 atom: 1137 129G-H N 8.61 ambi=1 { N:111.079 } atom: 1118 127L-HA A 4.679 ambi=1 { CA:54.732 } ::sumAvg: 4.315 atom: 1137 129G-H N 8.61 ambi=1 { N:111.079 } atom: 1121 127L-HG G 1.54 ambi=1 { CG:26.77 } ::sumAvg: 4.155 atom: 1137 129G-H N 8.61 ambi=1 { N:111.079 } atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } :: atom: 1137 129G-H N 8.61 ambi=1 { N:111.079 } atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } ::sumAvg: 4.035 atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } :: atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } ::sumAvg: 4.73 atom: 1130 128S-H N 8.498 ambi=1 { N:115.792 } atom: 1138 129G-HA2 A 4.606 ambi=2 { CA:45.044 } :: atom: 1130 128S-H N 8.498 ambi=1 { N:115.792 } atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } ::sumAvg: 4.74 atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } atom: 1132 128S-QB B 3.331 ambi=2 { CB:64.42 } ::sumAvg: 4.605 atom: 1137 129G-H N 8.61 ambi=1 { N:111.079 } atom: 1143 130E-HA A 5.128 ambi=1 { CA:55.251 } ::sumAvg: 4.985 atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } ::sumAvg: 4.57 atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } atom: 1371 154M-HB2 B 2.187 ambi=2 { CB:29.468 } :: atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } atom: 1372 154M-HB3 B 2.114 ambi=2 { CB:29.468 } ::sumAvg: 4.715 atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 4.92 atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } ::sumAvg: 4.885 atom: 1362 153L-H N 9.429 ambi=1 { N:123.639 } atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } ::sumAvg: 4.71 atom: 1369 154M-H N 7.591 ambi=1 { N:119.591 } atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } ::sumAvg: 3.74 atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } ::sumAvg: 4.925 atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } ::sumAvg: 4.38 atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 4.77 atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 4.72 atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 4.98 atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 3.805 atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } ::sumAvg: 4.675 atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } :: atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } ::sumAvg: 3.085 atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } ::sumAvg: 3.475 atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 4.665 atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } ::sumAvg: 3.91 atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 4.91 atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 4.085 atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } ::sumAvg: 4.905 atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 4.72 atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.58 atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } ::sumAvg: 4.76 atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } ::sumAvg: 4.76 atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 4.92 atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 3.255 atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 4.325 atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } ::sumAvg: 4.875 atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 3.08 atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } ::sumAvg: 4.045 atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } ::sumAvg: 4.045 atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 3.685 atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } ::sumAvg: 4.91 atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } ::sumAvg: 4.91 atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } :: atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } ::sumAvg: 3.9 atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } atom: 1187 134I-HD1 D1 0.573 ambi=1 { CD1:13.41 } ::sumAvg: 3.96 atom: 1220 137D-H N 7.495 ambi=1 { N:113.089 } atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } ::sumAvg: 4.765 atom: 1207 136L-H N 7.441 ambi=1 { N:122.467 } atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } ::sumAvg: 4.175 atom: 1207 136L-H N 7.441 ambi=1 { N:122.467 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 4.97 atom: 1207 136L-H N 7.441 ambi=1 { N:122.467 } atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } ::sumAvg: 4.945 atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } atom: 1207 136L-H N 7.441 ambi=1 { N:122.467 } ::sumAvg: 4.945 atom: 1320 148R-H N 9.193 ambi=1 { N:125.562 } atom: 1212 136L-HD1 D1 0.802 ambi=2 { CD1:24.73 } :: atom: 1320 148R-H N 9.193 ambi=1 { N:125.562 } atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } ::sumAvg: 3.925 atom: 1220 137D-H N 7.495 ambi=1 { N:113.089 } atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } :: atom: 1220 137D-H N 7.495 ambi=1 { N:113.089 } atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } ::sumAvg: 4.56 atom: 1227 138N-H N 8.969 ambi=1 { N:119.704 } atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } ::sumAvg: 4.73 atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } atom: 1229 138N-HB2 B 2.971 ambi=2 { CB:39.595 } :: atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } atom: 1230 138N-HB3 B 2.863 ambi=2 { CB:39.595 } ::sumAvg: 4.785 atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } ::sumAvg: 4.215 atom: 1247 140A-H N 8.23 ambi=1 { N:119.543 } atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } ::sumAvg: 4.93 atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } atom: 1247 140A-H N 8.23 ambi=1 { N:119.543 } ::sumAvg: 4.93 atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } ::sumAvg: 3.915 atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } ::sumAvg: 4.84 atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } ::sumAvg: 4.84 atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } :: atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } ::sumAvg: 4.16 atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } atom: 1254 141E-HA A 4.546 ambi=1 { CA:55.379 } ::sumAvg: 4.95 atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } atom: 1277 144P-HA A 4.066 ambi=1 { CA:65.025 } ::sumAvg: 4.965 atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } atom: 1282 144P-HD2 D 3.846 ambi=2 { CD:49.917 } :: atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } atom: 1283 144P-HD3 D 3.75 ambi=2 { CD:49.917 } ::sumAvg: 3.98 atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } atom: 1297 146Q-HB2 B 2.255 ambi=2 { CB:30.333 } :: atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } atom: 1298 146Q-HB3 B 1.645 ambi=2 { CB:30.333 } ::sumAvg: 4.645 atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } ::sumAvg: 4.84 atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } atom: 1277 144P-HA A 4.066 ambi=1 { CA:65.025 } ::sumAvg: 3.68 atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } atom: 1277 144P-HA A 4.066 ambi=1 { CA:65.025 } ::sumAvg: 3.99 atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } atom: 1278 144P-HB2 B 2.326 ambi=2 { CB:31.81 } :: atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } atom: 1279 144P-HB3 B 1.966 ambi=2 { CB:31.81 } ::sumAvg: 4.845 atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } atom: 1282 144P-HD2 D 3.846 ambi=2 { CD:49.917 } :: atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } atom: 1283 144P-HD3 D 3.75 ambi=2 { CD:49.917 } ::sumAvg: 4.86 atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } ::sumAvg: 3.52 atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } ::sumAvg: 3.52 atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } atom: 1309 147L-HB2 B 1.777 ambi=2 { CB:42.795 } :: atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } atom: 1310 147L-HB3 B 1.48 ambi=2 { CB:42.795 } ::sumAvg: 4.805 atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } atom: 1311 147L-HG G 1.59 ambi=1 { CG:26.659 } ::sumAvg: 4.805 atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } :: atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } ::sumAvg: 4.005 atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } atom: 1289 145D-HA A 4.243 ambi=1 { CA:54.491 } ::sumAvg: 3.71 atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } ::sumAvg: 4.505 atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } atom: 1311 147L-HG G 1.59 ambi=1 { CG:26.659 } ::sumAvg: 4.78 atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } :: atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } ::sumAvg: 4.145 atom: 1320 148R-H N 9.193 ambi=1 { N:125.562 } atom: 1296 146Q-HA A 4.176 ambi=1 { CA:54.162 } ::sumAvg: 4.945 atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } :: atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } ::sumAvg: 4.985 atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } ::sumAvg: 4.795 atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 3.76 atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 4.835 atom: 1362 153L-H N 9.429 ambi=1 { N:123.639 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1362 153L-H N 9.429 ambi=1 { N:123.639 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.295 atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } ::sumAvg: 4.765 atom: 1362 153L-H N 9.429 ambi=1 { N:123.639 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1362 153L-H N 9.429 ambi=1 { N:123.639 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.88 atom: 1369 154M-H N 7.591 ambi=1 { N:119.591 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1369 154M-H N 7.591 ambi=1 { N:119.591 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.875 atom: 1405 157E-H N 8.634 ambi=1 { N:125.081 } atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } ::sumAvg: 4.985 atom: 1415 158S-H N 8.578 ambi=1 { N:118.075 } atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } ::sumAvg: 4.905 atom: 1415 158S-H N 8.578 ambi=1 { N:118.075 } atom: 1423 159L-HA A 4.292 ambi=1 { CA:55.389 } ::sumAvg: 4.965 atom: 1415 158S-H N 8.578 ambi=1 { N:118.075 } atom: 1424 159L-HB2 B 1.595 ambi=2 { CB:42.017 } :: atom: 1415 158S-H N 8.578 ambi=1 { N:118.075 } atom: 1425 159L-HB3 B 1.547 ambi=2 { CB:42.017 } ::sumAvg: 4.97 atom: 1435 160E-H N 8.295 ambi=1 { N:119.987 } atom: 1416 158S-HA A 4.425 ambi=1 { CA:57.88 } ::sumAvg: 4.64 atom: 1435 160E-H N 8.295 ambi=1 { N:119.987 } atom: 1417 158S-HB2 B 3.908 ambi=2 { CB:63.728 } :: atom: 1435 160E-H N 8.295 ambi=1 { N:119.987 } atom: 1418 158S-HB3 B 3.844 ambi=2 { CB:63.728 } ::sumAvg: 4.82 atom: 1435 160E-H N 8.295 ambi=1 { N:119.987 } atom: 1443 161H-HA A 4.581 ambi=1 { CA:55.706 } ::sumAvg: 4.855 atom: 1453 162H-H N 8.139 ambi=1 { N:125.064 } atom: 1436 160E-HA A 4.748 ambi=1 { CA:56.627 } ::sumAvg: 4.8 atom: 1453 162H-H N 8.139 ambi=1 { N:125.064 } atom: 1437 160E-HB2 B 1.895 ambi=2 { CB:30 } :: atom: 1453 162H-H N 8.139 ambi=1 { N:125.064 } atom: 1438 160E-HB3 B 1.807 ambi=2 { CB:30 } ::sumAvg: 4.765 # Missing interactons for c.peaks atom: 10 3F-HB2 B 3.175 ambi=2 { CB:39.567 } atom: 28 4E-QG G 2.2045 ambi=2 { CG:36.01 } :: atom: 11 3F-HB3 B 3.039 ambi=2 { CB:39.567 } atom: 28 4E-QG G 2.2045 ambi=2 { CG:36.01 } ::sumAvg: 4.645 atom: 28 4E-QG G 2.2045 ambi=2 { CG:36.01 } atom: 10 3F-HB2 B 3.175 ambi=2 { CB:39.567 } :: atom: 28 4E-QG G 2.2045 ambi=2 { CG:36.01 } atom: 11 3F-HB3 B 3.039 ambi=2 { CB:39.567 } ::sumAvg: 4.645 atom: 4 2D-HB2 B 2.664 ambi=2 { CB:41.319 } atom: 9 3F-HA A 4.588 ambi=1 { CA:57.844 } :: atom: 5 2D-HB3 B 2.538 ambi=2 { CB:41.319 } atom: 9 3F-HA A 4.588 ambi=1 { CA:57.844 } ::sumAvg: 4.455 atom: 9 3F-HA A 4.588 ambi=1 { CA:57.844 } atom: 4 2D-HB2 B 2.664 ambi=2 { CB:41.319 } :: atom: 9 3F-HA A 4.588 ambi=1 { CA:57.844 } atom: 5 2D-HB3 B 2.538 ambi=2 { CB:41.319 } ::sumAvg: 4.455 atom: 4 2D-HB2 B 2.664 ambi=2 { CB:41.319 } atom: 12 3F-QD D 7.286 ambi=3 { CD1:131.723 } :: atom: 5 2D-HB3 B 2.538 ambi=2 { CB:41.319 } atom: 12 3F-QD D 7.286 ambi=3 { CD1:131.723 } ::sumAvg: 4.265 atom: 4 2D-HB2 B 2.664 ambi=2 { CB:41.319 } atom: 23 4E-H N 8.441 ambi=1 { N:122.014 } :: atom: 5 2D-HB3 B 2.538 ambi=2 { CB:41.319 } atom: 23 4E-H N 8.441 ambi=1 { N:122.014 } ::sumAvg: 4.79 atom: 9 3F-HA A 4.588 ambi=1 { CA:57.844 } atom: 25 4E-HB2 B 2.017 ambi=2 { CB:30.108 } :: atom: 9 3F-HA A 4.588 ambi=1 { CA:57.844 } atom: 26 4E-HB3 B 1.924 ambi=2 { CB:30.108 } ::sumAvg: 4.985 atom: 25 4E-HB2 B 2.017 ambi=2 { CB:30.108 } atom: 9 3F-HA A 4.588 ambi=1 { CA:57.844 } :: atom: 26 4E-HB3 B 1.924 ambi=2 { CB:30.108 } atom: 9 3F-HA A 4.588 ambi=1 { CA:57.844 } ::sumAvg: 4.985 atom: 9 3F-HA A 4.588 ambi=1 { CA:57.844 } atom: 28 4E-QG G 2.2045 ambi=2 { CG:36.01 } ::sumAvg: 4.865 atom: 28 4E-QG G 2.2045 ambi=2 { CG:36.01 } atom: 9 3F-HA A 4.588 ambi=1 { CA:57.844 } ::sumAvg: 4.865 atom: 12 3F-QD D 7.286 ambi=3 { CD1:131.723 } atom: 24 4E-HA A 4.256 ambi=1 { CA:56.455 } ::sumAvg: 4.785 atom: 24 4E-HA A 4.256 ambi=1 { CA:56.455 } atom: 12 3F-QD D 7.286 ambi=3 { CD1:131.723 } ::sumAvg: 4.785 atom: 12 3F-QD D 7.286 ambi=3 { CD1:131.723 } atom: 25 4E-HB2 B 2.017 ambi=2 { CB:30.108 } :: atom: 12 3F-QD D 7.286 ambi=3 { CD1:131.723 } atom: 26 4E-HB3 B 1.924 ambi=2 { CB:30.108 } ::sumAvg: 4.565 atom: 12 3F-QD D 7.286 ambi=3 { CD1:131.723 } atom: 28 4E-QG G 2.2045 ambi=2 { CG:36.01 } ::sumAvg: 4.445 atom: 12 3F-QD D 7.286 ambi=3 { CD1:131.723 } atom: 33 5C-H N 8.243 ambi=1 { N:119.884 } ::sumAvg: 4.925 atom: 24 4E-HA A 4.256 ambi=1 { CA:56.455 } atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } ::sumAvg: 4.66 atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } atom: 24 4E-HA A 4.256 ambi=1 { CA:56.455 } ::sumAvg: 4.66 atom: 25 4E-HB2 B 2.017 ambi=2 { CB:30.108 } atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } :: atom: 26 4E-HB3 B 1.924 ambi=2 { CB:30.108 } atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } ::sumAvg: 4.92 atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } atom: 25 4E-HB2 B 2.017 ambi=2 { CB:30.108 } :: atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } atom: 26 4E-HB3 B 1.924 ambi=2 { CB:30.108 } ::sumAvg: 4.92 atom: 25 4E-HB2 B 2.017 ambi=2 { CB:30.108 } atom: 34 5C-HA A 4.378 ambi=1 { CA:58.334 } :: atom: 26 4E-HB3 B 1.924 ambi=2 { CB:30.108 } atom: 34 5C-HA A 4.378 ambi=1 { CA:58.334 } ::sumAvg: 4.755 atom: 34 5C-HA A 4.378 ambi=1 { CA:58.334 } atom: 25 4E-HB2 B 2.017 ambi=2 { CB:30.108 } :: atom: 34 5C-HA A 4.378 ambi=1 { CA:58.334 } atom: 26 4E-HB3 B 1.924 ambi=2 { CB:30.108 } ::sumAvg: 4.755 atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } atom: 28 4E-QG G 2.2045 ambi=2 { CG:36.01 } ::sumAvg: 4.735 atom: 34 5C-HA A 4.378 ambi=1 { CA:58.334 } atom: 28 4E-QG G 2.2045 ambi=2 { CG:36.01 } ::sumAvg: 4.915 atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } atom: 42 6Q-HB2 B 1.841 ambi=2 { CB:29.456 } :: atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } atom: 43 6Q-HB3 B 1.777 ambi=2 { CB:29.456 } ::sumAvg: 4.995 atom: 42 6Q-HB2 B 1.841 ambi=2 { CB:29.456 } atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } :: atom: 43 6Q-HB3 B 1.777 ambi=2 { CB:29.456 } atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } ::sumAvg: 4.995 atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } atom: 41 6Q-HA A 4.212 ambi=1 { CA:55.943 } ::sumAvg: 4.535 atom: 41 6Q-HA A 4.212 ambi=1 { CA:55.943 } atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } ::sumAvg: 4.535 atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } atom: 44 6Q-HG2 G 2.117 ambi=2 { CG:33.277 } :: atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } atom: 45 6Q-HG3 G 2.032 ambi=2 { CG:33.277 } ::sumAvg: 4.6 atom: 44 6Q-HG2 G 2.117 ambi=2 { CG:33.277 } atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } :: atom: 45 6Q-HG3 G 2.032 ambi=2 { CG:33.277 } atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } ::sumAvg: 4.6 atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } atom: 53 7F-H N 8.076 ambi=1 { N:119.939 } ::sumAvg: 4.635 atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } ::sumAvg: 4.59 atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } atom: 35 5C-QB B 2.859 ambi=2 { CB:28.033 } ::sumAvg: 4.59 atom: 34 5C-HA A 4.378 ambi=1 { CA:58.334 } atom: 42 6Q-HB2 B 1.841 ambi=2 { CB:29.456 } :: atom: 34 5C-HA A 4.378 ambi=1 { CA:58.334 } atom: 43 6Q-HB3 B 1.777 ambi=2 { CB:29.456 } ::sumAvg: 4.81 atom: 42 6Q-HB2 B 1.841 ambi=2 { CB:29.456 } atom: 54 7F-HA A 4.691 ambi=1 { CA:57.46 } :: atom: 43 6Q-HB3 B 1.777 ambi=2 { CB:29.456 } atom: 54 7F-HA A 4.691 ambi=1 { CA:57.46 } ::sumAvg: 4.93 atom: 54 7F-HA A 4.691 ambi=1 { CA:57.46 } atom: 42 6Q-HB2 B 1.841 ambi=2 { CB:29.456 } :: atom: 54 7F-HA A 4.691 ambi=1 { CA:57.46 } atom: 43 6Q-HB3 B 1.777 ambi=2 { CB:29.456 } ::sumAvg: 4.93 atom: 42 6Q-HB2 B 1.841 ambi=2 { CB:29.456 } atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } :: atom: 43 6Q-HB3 B 1.777 ambi=2 { CB:29.456 } atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } ::sumAvg: 4.53 atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } atom: 42 6Q-HB2 B 1.841 ambi=2 { CB:29.456 } :: atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } atom: 43 6Q-HB3 B 1.777 ambi=2 { CB:29.456 } ::sumAvg: 4.53 atom: 42 6Q-HB2 B 1.841 ambi=2 { CB:29.456 } atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } :: atom: 42 6Q-HB2 B 1.841 ambi=2 { CB:29.456 } atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } :: atom: 43 6Q-HB3 B 1.777 ambi=2 { CB:29.456 } atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } :: atom: 43 6Q-HB3 B 1.777 ambi=2 { CB:29.456 } atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } ::sumAvg: 4.985 atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } atom: 42 6Q-HB2 B 1.841 ambi=2 { CB:29.456 } :: atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } atom: 42 6Q-HB2 B 1.841 ambi=2 { CB:29.456 } :: atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } atom: 43 6Q-HB3 B 1.777 ambi=2 { CB:29.456 } :: atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } atom: 43 6Q-HB3 B 1.777 ambi=2 { CB:29.456 } ::sumAvg: 4.985 atom: 41 6Q-HA A 4.212 ambi=1 { CA:55.943 } atom: 54 7F-HA A 4.691 ambi=1 { CA:57.46 } ::sumAvg: 4.7 atom: 54 7F-HA A 4.691 ambi=1 { CA:57.46 } atom: 41 6Q-HA A 4.212 ambi=1 { CA:55.943 } ::sumAvg: 4.7 atom: 41 6Q-HA A 4.212 ambi=1 { CA:55.943 } atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } ::sumAvg: 4.57 atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } atom: 41 6Q-HA A 4.212 ambi=1 { CA:55.943 } ::sumAvg: 4.57 atom: 41 6Q-HA A 4.212 ambi=1 { CA:55.943 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } ::sumAvg: 4.905 atom: 55 7F-HB2 B 3.153 ambi=2 { CB:39.768 } atom: 66 8V-HA A 4.034 ambi=1 { CA:62.517 } :: atom: 56 7F-HB3 B 2.578 ambi=2 { CB:39.768 } atom: 66 8V-HA A 4.034 ambi=1 { CA:62.517 } ::sumAvg: 4.795 atom: 66 8V-HA A 4.034 ambi=1 { CA:62.517 } atom: 55 7F-HB2 B 3.153 ambi=2 { CB:39.768 } :: atom: 66 8V-HA A 4.034 ambi=1 { CA:62.517 } atom: 56 7F-HB3 B 2.578 ambi=2 { CB:39.768 } ::sumAvg: 4.795 atom: 55 7F-HB2 B 3.153 ambi=2 { CB:39.768 } atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } :: atom: 55 7F-HB2 B 3.153 ambi=2 { CB:39.768 } atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } :: atom: 56 7F-HB3 B 2.578 ambi=2 { CB:39.768 } atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } :: atom: 56 7F-HB3 B 2.578 ambi=2 { CB:39.768 } atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } ::sumAvg: 4.435 atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } atom: 55 7F-HB2 B 3.153 ambi=2 { CB:39.768 } :: atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } atom: 55 7F-HB2 B 3.153 ambi=2 { CB:39.768 } :: atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } atom: 56 7F-HB3 B 2.578 ambi=2 { CB:39.768 } :: atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } atom: 56 7F-HB3 B 2.578 ambi=2 { CB:39.768 } ::sumAvg: 4.435 atom: 55 7F-HB2 B 3.153 ambi=2 { CB:39.768 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 56 7F-HB3 B 2.578 ambi=2 { CB:39.768 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 56 7F-HB3 B 2.578 ambi=2 { CB:39.768 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } ::sumAvg: 3.76 atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 55 7F-HB2 B 3.153 ambi=2 { CB:39.768 } :: atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 56 7F-HB3 B 2.578 ambi=2 { CB:39.768 } :: atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } atom: 56 7F-HB3 B 2.578 ambi=2 { CB:39.768 } ::sumAvg: 3.76 atom: 56 7F-HB3 B 2.578 ambi=2 { CB:39.768 } atom: 963 112V-HA A 3.364 ambi=1 { CA:63.382 } ::sumAvg: 3.76 atom: 963 112V-HA A 3.364 ambi=1 { CA:63.382 } atom: 56 7F-HB3 B 2.578 ambi=2 { CB:39.768 } ::sumAvg: 3.76 atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } atom: 53 7F-H N 8.076 ambi=1 { N:119.939 } :: atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } atom: 53 7F-H N 8.076 ambi=1 { N:119.939 } ::sumAvg: 4.845 atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 53 7F-H N 8.076 ambi=1 { N:119.939 } ::sumAvg: 4.765 atom: 54 7F-HA A 4.691 ambi=1 { CA:57.46 } atom: 66 8V-HA A 4.034 ambi=1 { CA:62.517 } ::sumAvg: 4.48 atom: 66 8V-HA A 4.034 ambi=1 { CA:62.517 } atom: 54 7F-HA A 4.691 ambi=1 { CA:57.46 } ::sumAvg: 4.48 atom: 54 7F-HA A 4.691 ambi=1 { CA:57.46 } atom: 67 8V-HB B 1.982 ambi=1 { CB:32.243 } ::sumAvg: 4.825 atom: 67 8V-HB B 1.982 ambi=1 { CB:32.243 } atom: 54 7F-HA A 4.691 ambi=1 { CA:57.46 } ::sumAvg: 4.825 atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 54 7F-HA A 4.691 ambi=1 { CA:57.46 } :: atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } atom: 54 7F-HA A 4.691 ambi=1 { CA:57.46 } ::sumAvg: 4.94 atom: 66 8V-HA A 4.034 ambi=1 { CA:62.517 } atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } ::sumAvg: 4.38 atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } atom: 66 8V-HA A 4.034 ambi=1 { CA:62.517 } ::sumAvg: 4.38 atom: 66 8V-HA A 4.034 ambi=1 { CA:62.517 } atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } :: atom: 66 8V-HA A 4.034 ambi=1 { CA:62.517 } atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } ::sumAvg: 4.745 atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } atom: 66 8V-HA A 4.034 ambi=1 { CA:62.517 } :: atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } atom: 66 8V-HA A 4.034 ambi=1 { CA:62.517 } ::sumAvg: 4.745 atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } atom: 66 8V-HA A 4.034 ambi=1 { CA:62.517 } ::sumAvg: 4.905 atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } :: atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } ::sumAvg: 4.495 atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } :: atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } ::sumAvg: 4.495 atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } :: atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } ::sumAvg: 4.795 atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } :: atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } ::sumAvg: 4.53 atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 4.475 atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } atom: 57 7F-QD D 7.321 ambi=3 { CD1:132.115 } ::sumAvg: 4.55 atom: 877 102Y-HA A 4.726 ambi=1 { CA:57.067 } atom: 59 7F-QE E 7.378 ambi=3 {attached_atom is not_assigned} ::sumAvg: 4.85 atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 59 7F-QE E 7.378 ambi=3 {attached_atom is not_assigned} ::sumAvg: 4.32 atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } :: atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } ::sumAvg: 4.485 atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } :: atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } ::sumAvg: 4.485 atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } ::sumAvg: 4.725 atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } ::sumAvg: 4.725 atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } ::sumAvg: 4.82 atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } ::sumAvg: 4.93 atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } ::sumAvg: 3.175 atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } atom: 863 101L-H N 8.596 ambi=1 { N:127.641 } ::sumAvg: 4.445 atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } :: atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } ::sumAvg: 4.475 atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } :: atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } ::sumAvg: 3.875 atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } :: atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } :: atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } :: atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } ::sumAvg: 3.875 atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } :: atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.625 atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } atom: 999 116L-HA A 4.228 ambi=1 { CA:57.932 } :: atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } atom: 999 116L-HA A 4.228 ambi=1 { CA:57.932 } ::sumAvg: 3.85 atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } :: atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } ::sumAvg: 4.595 atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } :: atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } ::sumAvg: 3.42 atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } :: atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } ::sumAvg: 3.42 atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } atom: 1044 119W-HE1 E1 10.18 ambi=1 { NE1:130.292 } :: atom: 78 9C-HB3 B 1.177 ambi=2 { CB:28.172 } atom: 1044 119W-HE1 E1 10.18 ambi=1 { NE1:130.292 } ::sumAvg: 4.485 atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } :: atom: 76 9C-HA A 4.634 ambi=1 { CA:56.958 } atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } ::sumAvg: 3.905 atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } :: atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } atom: 77 9C-HB2 B 1.554 ambi=2 { CB:28.172 } ::sumAvg: 4.845 atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } atom: 82 10E-H N 8.426 ambi=1 { N:119.06 } :: atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } atom: 82 10E-H N 8.426 ambi=1 { N:119.06 } ::sumAvg: 4.385 atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } :: atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } ::sumAvg: 4.65 atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } :: atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } ::sumAvg: 4.65 atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } :: atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } :: atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } :: atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } ::sumAvg: 4.215 atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } :: atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } :: atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } :: atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } ::sumAvg: 4.215 atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } :: atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } ::sumAvg: 3.635 atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } :: atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } ::sumAvg: 4.715 atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } :: atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } ::sumAvg: 4.715 atom: 68 8V-HG1 G1 0.958 ambi=2 { CG1:20.752 } atom: 863 101L-H N 8.596 ambi=1 { N:127.641 } :: atom: 69 8V-HG2 G2 0.839 ambi=2 { CG2:20.287 } atom: 863 101L-H N 8.596 ambi=1 { N:127.641 } ::sumAvg: 4.415 atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } atom: 82 10E-H N 8.426 ambi=1 { N:119.06 } ::sumAvg: 4.795 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 82 10E-H N 8.426 ambi=1 { N:119.06 } ::sumAvg: 4.57 atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 82 10E-H N 8.426 ambi=1 { N:119.06 } :: atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } atom: 82 10E-H N 8.426 ambi=1 { N:119.06 } ::sumAvg: 4.37 atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 4.385 atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } ::sumAvg: 4.385 atom: 94 11L-HB2 B 1.836 ambi=2 { CB:42.883 } atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } :: atom: 95 11L-HB3 B 1.661 ambi=2 { CB:42.883 } atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } ::sumAvg: 4.51 atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } :: atom: 98 11L-HD2 D2 0.665 ambi=2 { CD2:24.1 } atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } ::sumAvg: 4.465 atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } atom: 1044 119W-HE1 E1 10.18 ambi=1 { NE1:130.292 } ::sumAvg: 4.715 atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } atom: 1048 119W-HH2 H2 7.111 ambi=1 { CH2:123.806 } ::sumAvg: 4.38 atom: 1048 119W-HH2 H2 7.111 ambi=1 { CH2:123.806 } atom: 83 10E-HA A 4.438 ambi=1 { CA:53.867 } ::sumAvg: 4.38 atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } :: atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 4.655 atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } atom: 109 12K-HG2 G 1.249 ambi=2 { CG:24.525 } :: atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } atom: 110 12K-HG3 G 1.192 ambi=2 { CG:24.525 } :: atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } atom: 109 12K-HG2 G 1.249 ambi=2 { CG:24.525 } :: atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } atom: 110 12K-HG3 G 1.192 ambi=2 { CG:24.525 } ::sumAvg: 4.86 atom: 109 12K-HG2 G 1.249 ambi=2 { CG:24.525 } atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } :: atom: 110 12K-HG3 G 1.192 ambi=2 { CG:24.525 } atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } :: atom: 109 12K-HG2 G 1.249 ambi=2 { CG:24.525 } atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } :: atom: 110 12K-HG3 G 1.192 ambi=2 { CG:24.525 } atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } ::sumAvg: 4.86 atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } atom: 114 12K-QE E 2.9285 ambi=2 { CE:41.78 } :: atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } atom: 114 12K-QE E 2.9285 ambi=2 { CE:41.78 } ::sumAvg: 4.39 atom: 84 10E-HB2 B 1.85 ambi=2 { CB:34.492 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } :: atom: 85 10E-HB3 B 1.722 ambi=2 { CB:34.492 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } ::sumAvg: 4.98 atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 4.875 atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } ::sumAvg: 4.875 atom: 107 12K-HB2 B 1.61 ambi=2 { CB:36.308 } atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } :: atom: 108 12K-HB3 B 1.398 ambi=2 { CB:36.308 } atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } ::sumAvg: 4.89 atom: 109 12K-HG2 G 1.249 ambi=2 { CG:24.525 } atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } :: atom: 110 12K-HG3 G 1.192 ambi=2 { CG:24.525 } atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } ::sumAvg: 4.93 atom: 111 12K-QD D 1.5505 ambi=2 { CD:29.017 } atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } ::sumAvg: 4.865 atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } ::sumAvg: 4.665 atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.695 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 87 10E-QG G 2.0235 ambi=2 { CG:36.01 } ::sumAvg: 4.695 atom: 106 12K-HA A 4.641 ambi=1 { CA:53.781 } atom: 92 11L-H N 8.687 ambi=1 { N:123.045 } ::sumAvg: 4.95 atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } atom: 92 11L-H N 8.687 ambi=1 { N:123.045 } ::sumAvg: 4.72 atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } atom: 107 12K-HB2 B 1.61 ambi=2 { CB:36.308 } :: atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } atom: 108 12K-HB3 B 1.398 ambi=2 { CB:36.308 } ::sumAvg: 4.43 atom: 107 12K-HB2 B 1.61 ambi=2 { CB:36.308 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } :: atom: 108 12K-HB3 B 1.398 ambi=2 { CB:36.308 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 4.43 atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } ::sumAvg: 4.12 atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } ::sumAvg: 4.945 atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 4.945 atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } atom: 843 98A-H N 8.471 ambi=1 { N:123.489 } ::sumAvg: 4.72 atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 3.77 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 3.77 atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } ::sumAvg: 3.155 atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.94 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 4.94 atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } ::sumAvg: 4.61 atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 4.61 atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } atom: 1048 119W-HH2 H2 7.111 ambi=1 { CH2:123.806 } ::sumAvg: 4.03 atom: 1048 119W-HH2 H2 7.111 ambi=1 { CH2:123.806 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 4.03 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 93 11L-HA A 4.917 ambi=1 { CA:54.04 } ::sumAvg: 4.805 atom: 106 12K-HA A 4.641 ambi=1 { CA:53.781 } atom: 94 11L-HB2 B 1.836 ambi=2 { CB:42.883 } :: atom: 106 12K-HA A 4.641 ambi=1 { CA:53.781 } atom: 95 11L-HB3 B 1.661 ambi=2 { CB:42.883 } ::sumAvg: 4.52 atom: 94 11L-HB2 B 1.836 ambi=2 { CB:42.883 } atom: 826 96K-HG3 G 1.277 ambi=2 { CG:25.823 } ::sumAvg: 4.835 atom: 826 96K-HG3 G 1.277 ambi=2 { CG:25.823 } atom: 94 11L-HB2 B 1.836 ambi=2 { CB:42.883 } ::sumAvg: 4.835 atom: 94 11L-HB2 B 1.836 ambi=2 { CB:42.883 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } :: atom: 95 11L-HB3 B 1.661 ambi=2 { CB:42.883 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } ::sumAvg: 4.745 atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } atom: 94 11L-HB2 B 1.836 ambi=2 { CB:42.883 } :: atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } atom: 95 11L-HB3 B 1.661 ambi=2 { CB:42.883 } ::sumAvg: 3.555 atom: 94 11L-HB2 B 1.836 ambi=2 { CB:42.883 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 3.935 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 94 11L-HB2 B 1.836 ambi=2 { CB:42.883 } ::sumAvg: 3.935 atom: 94 11L-HB2 B 1.836 ambi=2 { CB:42.883 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } :: atom: 95 11L-HB3 B 1.661 ambi=2 { CB:42.883 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } ::sumAvg: 4.96 atom: 94 11L-HB2 B 1.836 ambi=2 { CB:42.883 } atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } :: atom: 95 11L-HB3 B 1.661 ambi=2 { CB:42.883 } atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } ::sumAvg: 3.485 atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } atom: 94 11L-HB2 B 1.836 ambi=2 { CB:42.883 } :: atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } atom: 95 11L-HB3 B 1.661 ambi=2 { CB:42.883 } ::sumAvg: 3.485 atom: 96 11L-HG G 1.515 ambi=1 { CG:27.179 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } ::sumAvg: 4.94 atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } atom: 96 11L-HG G 1.515 ambi=1 { CG:27.179 } ::sumAvg: 4.885 atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } atom: 96 11L-HG G 1.515 ambi=1 { CG:27.179 } ::sumAvg: 4.995 atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } :: atom: 98 11L-HD2 D2 0.665 ambi=2 { CD2:24.1 } atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } ::sumAvg: 4.68 atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } :: atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } atom: 98 11L-HD2 D2 0.665 ambi=2 { CD2:24.1 } ::sumAvg: 4.68 atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } :: atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } :: atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } atom: 98 11L-HD2 D2 0.665 ambi=2 { CD2:24.1 } :: atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } atom: 98 11L-HD2 D2 0.665 ambi=2 { CD2:24.1 } ::sumAvg: 2.955 atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } :: atom: 98 11L-HD2 D2 0.665 ambi=2 { CD2:24.1 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 3.785 atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } :: atom: 98 11L-HD2 D2 0.665 ambi=2 { CD2:24.1 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } ::sumAvg: 4.755 atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } :: atom: 98 11L-HD2 D2 0.665 ambi=2 { CD2:24.1 } atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } ::sumAvg: 4.46 atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } :: atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } atom: 98 11L-HD2 D2 0.665 ambi=2 { CD2:24.1 } ::sumAvg: 4.46 atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } :: atom: 98 11L-HD2 D2 0.665 ambi=2 { CD2:24.1 } atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } ::sumAvg: 4.975 atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } :: atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } atom: 98 11L-HD2 D2 0.665 ambi=2 { CD2:24.1 } ::sumAvg: 4.975 atom: 97 11L-HD1 D1 0.805 ambi=2 { CD1:25.262 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 3.14 atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } atom: 105 12K-H N 9.234 ambi=1 { N:126.537 } ::sumAvg: 4.86 atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } atom: 105 12K-H N 9.234 ambi=1 { N:126.537 } ::sumAvg: 4.49 atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } atom: 105 12K-H N 9.234 ambi=1 { N:126.537 } :: atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } atom: 105 12K-H N 9.234 ambi=1 { N:126.537 } ::sumAvg: 4.89 atom: 838 97A-HA A 5.024 ambi=1 { CA:50.753 } atom: 105 12K-H N 9.234 ambi=1 { N:126.537 } ::sumAvg: 4.945 atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } atom: 105 12K-H N 9.234 ambi=1 { N:126.537 } ::sumAvg: 3.525 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 105 12K-H N 9.234 ambi=1 { N:126.537 } ::sumAvg: 4.96 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 105 12K-H N 9.234 ambi=1 { N:126.537 } ::sumAvg: 4.305 atom: 106 12K-HA A 4.641 ambi=1 { CA:53.781 } atom: 123 13E-HB2 B 1.901 ambi=2 { CB:30.08 } :: atom: 106 12K-HA A 4.641 ambi=1 { CA:53.781 } atom: 124 13E-HB3 B 1.791 ambi=2 { CB:30.08 } ::sumAvg: 4.675 atom: 123 13E-HB2 B 1.901 ambi=2 { CB:30.08 } atom: 106 12K-HA A 4.641 ambi=1 { CA:53.781 } :: atom: 124 13E-HB3 B 1.791 ambi=2 { CB:30.08 } atom: 106 12K-HA A 4.641 ambi=1 { CA:53.781 } ::sumAvg: 4.675 atom: 106 12K-HA A 4.641 ambi=1 { CA:53.781 } atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } ::sumAvg: 4.555 atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } atom: 106 12K-HA A 4.641 ambi=1 { CA:53.781 } ::sumAvg: 4.555 atom: 106 12K-HA A 4.641 ambi=1 { CA:53.781 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } ::sumAvg: 4.505 atom: 107 12K-HB2 B 1.61 ambi=2 { CB:36.308 } atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } :: atom: 108 12K-HB3 B 1.398 ambi=2 { CB:36.308 } atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } ::sumAvg: 4.63 atom: 107 12K-HB2 B 1.61 ambi=2 { CB:36.308 } atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } :: atom: 108 12K-HB3 B 1.398 ambi=2 { CB:36.308 } atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } ::sumAvg: 4.805 atom: 107 12K-HB2 B 1.61 ambi=2 { CB:36.308 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } :: atom: 108 12K-HB3 B 1.398 ambi=2 { CB:36.308 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } ::sumAvg: 4.755 atom: 107 12K-HB2 B 1.61 ambi=2 { CB:36.308 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } :: atom: 108 12K-HB3 B 1.398 ambi=2 { CB:36.308 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } ::sumAvg: 4.83 atom: 107 12K-HB2 B 1.61 ambi=2 { CB:36.308 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } :: atom: 108 12K-HB3 B 1.398 ambi=2 { CB:36.308 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 3.97 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 107 12K-HB2 B 1.61 ambi=2 { CB:36.308 } :: atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 108 12K-HB3 B 1.398 ambi=2 { CB:36.308 } ::sumAvg: 3.97 atom: 109 12K-HG2 G 1.249 ambi=2 { CG:24.525 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } :: atom: 110 12K-HG3 G 1.192 ambi=2 { CG:24.525 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } ::sumAvg: 4.84 atom: 111 12K-QD D 1.5505 ambi=2 { CD:29.017 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 3.85 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 111 12K-QD D 1.5505 ambi=2 { CD:29.017 } ::sumAvg: 3.85 atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } atom: 114 12K-QE E 2.9285 ambi=2 { CE:41.78 } :: atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } atom: 114 12K-QE E 2.9285 ambi=2 { CE:41.78 } ::sumAvg: 4.89 atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } atom: 121 13E-H N 8.441 ambi=1 { N:122.071 } ::sumAvg: 4.395 atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } ::sumAvg: 4.56 atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } ::sumAvg: 4.56 atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } :: atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } ::sumAvg: 3.435 atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } :: atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } ::sumAvg: 3.435 atom: 828 96K-QD D 1.5505 ambi=2 { CD:28.78 } atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } ::sumAvg: 3.895 atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } atom: 829 96K-QE E 2.9305 ambi=2 { CE:41.78 } ::sumAvg: 4.985 atom: 829 96K-QE E 2.9305 ambi=2 { CE:41.78 } atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } ::sumAvg: 4.985 atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } ::sumAvg: 3.38 atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } ::sumAvg: 4.705 atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } atom: 122 13E-HA A 4.48 ambi=1 { CA:55.222 } ::sumAvg: 4.705 atom: 132 14L-HA A 4.44 ambi=1 { CA:54.213 } atom: 123 13E-HB2 B 1.901 ambi=2 { CB:30.08 } :: atom: 132 14L-HA A 4.44 ambi=1 { CA:54.213 } atom: 124 13E-HB3 B 1.791 ambi=2 { CB:30.08 } ::sumAvg: 4.715 atom: 123 13E-HB2 B 1.901 ambi=2 { CB:30.08 } atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } :: atom: 123 13E-HB2 B 1.901 ambi=2 { CB:30.08 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } :: atom: 124 13E-HB3 B 1.791 ambi=2 { CB:30.08 } atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } :: atom: 124 13E-HB3 B 1.791 ambi=2 { CB:30.08 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } ::sumAvg: 4.96 atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 123 13E-HB2 B 1.901 ambi=2 { CB:30.08 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 123 13E-HB2 B 1.901 ambi=2 { CB:30.08 } :: atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 124 13E-HB3 B 1.791 ambi=2 { CB:30.08 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 124 13E-HB3 B 1.791 ambi=2 { CB:30.08 } ::sumAvg: 4.96 atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } atom: 123 13E-HB2 B 1.901 ambi=2 { CB:30.08 } :: atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } atom: 124 13E-HB3 B 1.791 ambi=2 { CB:30.08 } ::sumAvg: 3.68 atom: 123 13E-HB2 B 1.901 ambi=2 { CB:30.08 } atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } ::sumAvg: 4.44 atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } atom: 123 13E-HB2 B 1.901 ambi=2 { CB:30.08 } ::sumAvg: 4.44 atom: 123 13E-HB2 B 1.901 ambi=2 { CB:30.08 } atom: 826 96K-HG3 G 1.277 ambi=2 { CG:25.823 } :: atom: 124 13E-HB3 B 1.791 ambi=2 { CB:30.08 } atom: 826 96K-HG3 G 1.277 ambi=2 { CG:25.823 } ::sumAvg: 4.155 atom: 826 96K-HG3 G 1.277 ambi=2 { CG:25.823 } atom: 123 13E-HB2 B 1.901 ambi=2 { CB:30.08 } :: atom: 826 96K-HG3 G 1.277 ambi=2 { CG:25.823 } atom: 124 13E-HB3 B 1.791 ambi=2 { CB:30.08 } ::sumAvg: 4.155 atom: 123 13E-HB2 B 1.901 ambi=2 { CB:30.08 } atom: 829 96K-QE E 2.9305 ambi=2 { CE:41.78 } :: atom: 124 13E-HB3 B 1.791 ambi=2 { CB:30.08 } atom: 829 96K-QE E 2.9305 ambi=2 { CE:41.78 } ::sumAvg: 4.895 atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } atom: 816 95G-H N 8.181 ambi=1 { N:109.438 } ::sumAvg: 4.645 atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } :: atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } ::sumAvg: 4.66 atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } ::sumAvg: 4.66 atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } ::sumAvg: 4.285 atom: 828 96K-QD D 1.5505 ambi=2 { CD:28.78 } atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } ::sumAvg: 4.58 atom: 829 96K-QE E 2.9305 ambi=2 { CE:41.78 } atom: 126 13E-QG G 2.0345 ambi=2 { CG:36.01 } ::sumAvg: 4.63 atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 131 14L-H N 8.879 ambi=1 { N:127.489 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 131 14L-H N 8.879 ambi=1 { N:127.489 } ::sumAvg: 4.295 atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } atom: 131 14L-H N 8.879 ambi=1 { N:127.489 } ::sumAvg: 3.175 atom: 825 96K-HG2 G 1.549 ambi=2 { CG:25.823 } atom: 131 14L-H N 8.879 ambi=1 { N:127.489 } :: atom: 826 96K-HG3 G 1.277 ambi=2 { CG:25.823 } atom: 131 14L-H N 8.879 ambi=1 { N:127.489 } ::sumAvg: 4.975 atom: 828 96K-QD D 1.5505 ambi=2 { CD:28.78 } atom: 131 14L-H N 8.879 ambi=1 { N:127.489 } ::sumAvg: 4.945 atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } atom: 131 14L-H N 8.879 ambi=1 { N:127.489 } ::sumAvg: 4.765 atom: 132 14L-HA A 4.44 ambi=1 { CA:54.213 } atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } ::sumAvg: 4.37 atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } atom: 132 14L-HA A 4.44 ambi=1 { CA:54.213 } ::sumAvg: 4.37 atom: 132 14L-HA A 4.44 ambi=1 { CA:54.213 } atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } ::sumAvg: 3.925 atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } atom: 132 14L-HA A 4.44 ambi=1 { CA:54.213 } ::sumAvg: 3.925 atom: 133 14L-HB2 B 1.569 ambi=2 { CB:41.757 } atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } :: atom: 134 14L-HB3 B 1.24 ambi=2 { CB:41.757 } atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } ::sumAvg: 4.72 atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } atom: 133 14L-HB2 B 1.569 ambi=2 { CB:41.757 } :: atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } atom: 134 14L-HB3 B 1.24 ambi=2 { CB:41.757 } ::sumAvg: 4.72 atom: 133 14L-HB2 B 1.569 ambi=2 { CB:41.757 } atom: 800 93P-HB3 B 0.905 ambi=2 { CB:32.07 } :: atom: 134 14L-HB3 B 1.24 ambi=2 { CB:41.757 } atom: 799 93P-HB2 B 1.82 ambi=2 { CB:32.07 } ::sumAvg: 4.995 atom: 800 93P-HB3 B 0.905 ambi=2 { CB:32.07 } atom: 133 14L-HB2 B 1.569 ambi=2 { CB:41.757 } :: atom: 799 93P-HB2 B 1.82 ambi=2 { CB:32.07 } atom: 134 14L-HB3 B 1.24 ambi=2 { CB:41.757 } ::sumAvg: 4.995 atom: 133 14L-HB2 B 1.569 ambi=2 { CB:41.757 } atom: 811 94S-HB2 B 3.59 ambi=2 { CB:65.804 } :: atom: 133 14L-HB2 B 1.569 ambi=2 { CB:41.757 } atom: 812 94S-HB3 B 3.412 ambi=2 { CB:65.804 } :: atom: 134 14L-HB3 B 1.24 ambi=2 { CB:41.757 } atom: 811 94S-HB2 B 3.59 ambi=2 { CB:65.804 } :: atom: 134 14L-HB3 B 1.24 ambi=2 { CB:41.757 } atom: 812 94S-HB3 B 3.412 ambi=2 { CB:65.804 } ::sumAvg: 4.02 atom: 811 94S-HB2 B 3.59 ambi=2 { CB:65.804 } atom: 133 14L-HB2 B 1.569 ambi=2 { CB:41.757 } :: atom: 812 94S-HB3 B 3.412 ambi=2 { CB:65.804 } atom: 133 14L-HB2 B 1.569 ambi=2 { CB:41.757 } :: atom: 811 94S-HB2 B 3.59 ambi=2 { CB:65.804 } atom: 134 14L-HB3 B 1.24 ambi=2 { CB:41.757 } :: atom: 812 94S-HB3 B 3.412 ambi=2 { CB:65.804 } atom: 134 14L-HB3 B 1.24 ambi=2 { CB:41.757 } ::sumAvg: 4.02 atom: 133 14L-HB2 B 1.569 ambi=2 { CB:41.757 } atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } :: atom: 133 14L-HB2 B 1.569 ambi=2 { CB:41.757 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } :: atom: 134 14L-HB3 B 1.24 ambi=2 { CB:41.757 } atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } :: atom: 134 14L-HB3 B 1.24 ambi=2 { CB:41.757 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } ::sumAvg: 4.665 atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 133 14L-HB2 B 1.569 ambi=2 { CB:41.757 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 133 14L-HB2 B 1.569 ambi=2 { CB:41.757 } :: atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 134 14L-HB3 B 1.24 ambi=2 { CB:41.757 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 134 14L-HB3 B 1.24 ambi=2 { CB:41.757 } ::sumAvg: 4.665 atom: 133 14L-HB2 B 1.569 ambi=2 { CB:41.757 } atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } :: atom: 134 14L-HB3 B 1.24 ambi=2 { CB:41.757 } atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } ::sumAvg: 4.76 atom: 135 14L-HG G 1.497 ambi=1 { CG:26.77 } atom: 810 94S-HA A 4.502 ambi=1 { CA:55.251 } ::sumAvg: 4.97 atom: 810 94S-HA A 4.502 ambi=1 { CA:55.251 } atom: 135 14L-HG G 1.497 ambi=1 { CG:26.77 } ::sumAvg: 4.97 atom: 135 14L-HG G 1.497 ambi=1 { CG:26.77 } atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } ::sumAvg: 4.98 atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } atom: 135 14L-HG G 1.497 ambi=1 { CG:26.77 } ::sumAvg: 4.98 atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } :: atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } ::sumAvg: 4.995 atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } :: atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } ::sumAvg: 4.995 atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } :: atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } ::sumAvg: 4.66 atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } :: atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } ::sumAvg: 4.66 atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } atom: 810 94S-HA A 4.502 ambi=1 { CA:55.251 } :: atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } atom: 810 94S-HA A 4.502 ambi=1 { CA:55.251 } ::sumAvg: 4.675 atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } atom: 816 95G-H N 8.181 ambi=1 { N:109.438 } :: atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } atom: 816 95G-H N 8.181 ambi=1 { N:109.438 } ::sumAvg: 4.005 atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } :: atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } ::sumAvg: 4.97 atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } :: atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } ::sumAvg: 4.56 atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } :: atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } ::sumAvg: 4.615 atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } :: atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.58 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } :: atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } ::sumAvg: 4.58 atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } :: atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } ::sumAvg: 4.11 atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 136 14L-HD1 D1 0.703 ambi=2 { CD1:23.07 } :: atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 137 14L-HD2 D2 0.607 ambi=2 { CD2:26.23 } ::sumAvg: 4.11 atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } ::sumAvg: 4.415 atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } ::sumAvg: 4.415 atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } ::sumAvg: 4.64 atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } ::sumAvg: 4.64 atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } atom: 811 94S-HB2 B 3.59 ambi=2 { CB:65.804 } :: atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } atom: 812 94S-HB3 B 3.412 ambi=2 { CB:65.804 } ::sumAvg: 3.965 atom: 811 94S-HB2 B 3.59 ambi=2 { CB:65.804 } atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } :: atom: 812 94S-HB3 B 3.412 ambi=2 { CB:65.804 } atom: 145 15A-HA A 4.875 ambi=1 { CA:48.331 } ::sumAvg: 3.965 atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } ::sumAvg: 4.425 atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } ::sumAvg: 4.425 atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } ::sumAvg: 4.455 atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } ::sumAvg: 4.455 atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } atom: 157 17V-HB B 2.365 ambi=1 { CB:32.848 } ::sumAvg: 4.56 atom: 157 17V-HB B 2.365 ambi=1 { CB:32.848 } atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } ::sumAvg: 4.56 atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } atom: 158 17V-HG1 G1 0.865 ambi=2 { CG1:19.275 } ::sumAvg: 3.81 atom: 158 17V-HG1 G1 0.865 ambi=2 { CG1:19.275 } atom: 146 15A-HB B 1.304 ambi=1 { CB:18.922 } ::sumAvg: 3.81 atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } ::sumAvg: 4.435 atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } ::sumAvg: 4.435 atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } atom: 157 17V-HB B 2.365 ambi=1 { CB:32.848 } ::sumAvg: 4.675 atom: 157 17V-HB B 2.365 ambi=1 { CB:32.848 } atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } ::sumAvg: 4.675 atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } ::sumAvg: 4.455 atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } ::sumAvg: 4.455 atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } atom: 787 91L-HG G 1.54 ambi=1 { CG:26.77 } ::sumAvg: 4.93 atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } atom: 796 92T-H N 8.45 ambi=1 { N:111.353 } ::sumAvg: 3.4 atom: 150 16P-HA A 4.162 ambi=1 { CA:62.57 } atom: 809 94S-H N 7.891 ambi=1 { N:112.249 } ::sumAvg: 4.965 atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } ::sumAvg: 4.265 atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } ::sumAvg: 4.265 atom: 158 17V-HG1 G1 0.865 ambi=2 { CG1:19.275 } atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } :: atom: 159 17V-HG2 G2 0.909 ambi=2 { CG2:21.463 } atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } ::sumAvg: 4.705 atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } atom: 170 18P-HD2 D 3.776 ambi=2 { CD:51.216 } :: atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } atom: 171 18P-HD3 D 3.748 ambi=2 { CD:51.216 } ::sumAvg: 4.23 atom: 170 18P-HD2 D 3.776 ambi=2 { CD:51.216 } atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } :: atom: 171 18P-HD3 D 3.748 ambi=2 { CD:51.216 } atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } ::sumAvg: 4.23 atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } ::sumAvg: 3.625 atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } ::sumAvg: 3.625 atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } atom: 788 91L-HD1 D1 0.753 ambi=2 { CD1:22.016 } :: atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } atom: 789 91L-HD2 D2 0.693 ambi=2 { CD2:23.122 } ::sumAvg: 2.615 atom: 788 91L-HD1 D1 0.753 ambi=2 { CD1:22.016 } atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } :: atom: 789 91L-HD2 D2 0.693 ambi=2 { CD2:23.122 } atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } ::sumAvg: 2.615 atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } atom: 796 92T-H N 8.45 ambi=1 { N:111.353 } ::sumAvg: 4.46 atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } atom: 798 93P-HA A 3.903 ambi=1 { CA:63.555 } ::sumAvg: 3.865 atom: 798 93P-HA A 3.903 ambi=1 { CA:63.555 } atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } ::sumAvg: 3.865 atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } atom: 809 94S-H N 7.891 ambi=1 { N:112.249 } ::sumAvg: 4.33 atom: 151 16P-QB B 1.986 ambi=2 { CB:32.502 } atom: 810 94S-HA A 4.502 ambi=1 { CA:55.251 } ::sumAvg: 4.84 atom: 170 18P-HD2 D 3.776 ambi=2 { CD:51.216 } atom: 155 17V-H N 8.581 ambi=1 { N:120.637 } :: atom: 171 18P-HD3 D 3.748 ambi=2 { CD:51.216 } atom: 155 17V-H N 8.581 ambi=1 { N:120.637 } ::sumAvg: 4.245 atom: 784 91L-HA A 5.283 ambi=1 { CA:53.089 } atom: 155 17V-H N 8.581 ambi=1 { N:120.637 } ::sumAvg: 4.26 atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } atom: 155 17V-H N 8.581 ambi=1 { N:120.637 } ::sumAvg: 4.19 atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } atom: 168 18P-HG2 G 2.042 ambi=2 { CG:27.618 } :: atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } atom: 169 18P-HG3 G 1.867 ambi=2 { CG:27.618 } ::sumAvg: 4.215 atom: 168 18P-HG2 G 2.042 ambi=2 { CG:27.618 } atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } :: atom: 169 18P-HG3 G 1.867 ambi=2 { CG:27.618 } atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } ::sumAvg: 4.215 atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } atom: 788 91L-HD1 D1 0.753 ambi=2 { CD1:22.016 } :: atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } atom: 789 91L-HD2 D2 0.693 ambi=2 { CD2:23.122 } ::sumAvg: 4.475 atom: 788 91L-HD1 D1 0.753 ambi=2 { CD1:22.016 } atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } :: atom: 789 91L-HD2 D2 0.693 ambi=2 { CD2:23.122 } atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } ::sumAvg: 4.475 atom: 156 17V-HA A 4.772 ambi=1 { CA:58.365 } atom: 796 92T-H N 8.45 ambi=1 { N:111.353 } ::sumAvg: 4.78 atom: 157 17V-HB B 2.365 ambi=1 { CB:32.848 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 4.645 atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 157 17V-HB B 2.365 ambi=1 { CB:32.848 } ::sumAvg: 4.645 atom: 157 17V-HB B 2.365 ambi=1 { CB:32.848 } atom: 796 92T-H N 8.45 ambi=1 { N:111.353 } ::sumAvg: 4.28 atom: 158 17V-HG1 G1 0.865 ambi=2 { CG1:19.275 } atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } :: atom: 159 17V-HG2 G2 0.909 ambi=2 { CG2:21.463 } atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } ::sumAvg: 4.345 atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } atom: 158 17V-HG1 G1 0.865 ambi=2 { CG1:19.275 } :: atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } atom: 159 17V-HG2 G2 0.909 ambi=2 { CG2:21.463 } ::sumAvg: 4.345 atom: 166 18P-HB2 B 2.316 ambi=2 { CB:31.676 } atom: 158 17V-HG1 G1 0.865 ambi=2 { CG1:19.275 } :: atom: 167 18P-HB3 B 2.076 ambi=2 { CB:31.676 } atom: 158 17V-HG1 G1 0.865 ambi=2 { CG1:19.275 } :: atom: 166 18P-HB2 B 2.316 ambi=2 { CB:31.676 } atom: 159 17V-HG2 G2 0.909 ambi=2 { CG2:21.463 } :: atom: 167 18P-HB3 B 2.076 ambi=2 { CB:31.676 } atom: 159 17V-HG2 G2 0.909 ambi=2 { CG2:21.463 } ::sumAvg: 4.365 atom: 158 17V-HG1 G1 0.865 ambi=2 { CG1:19.275 } atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } :: atom: 159 17V-HG2 G2 0.909 ambi=2 { CG2:21.463 } atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } ::sumAvg: 4.635 atom: 158 17V-HG1 G1 0.865 ambi=2 { CG1:19.275 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } :: atom: 159 17V-HG2 G2 0.909 ambi=2 { CG2:21.463 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } ::sumAvg: 4.315 atom: 158 17V-HG1 G1 0.865 ambi=2 { CG1:19.275 } atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } :: atom: 159 17V-HG2 G2 0.909 ambi=2 { CG2:21.463 } atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } ::sumAvg: 4.465 atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 158 17V-HG1 G1 0.865 ambi=2 { CG1:19.275 } :: atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 159 17V-HG2 G2 0.909 ambi=2 { CG2:21.463 } ::sumAvg: 4.465 atom: 784 91L-HA A 5.283 ambi=1 { CA:53.089 } atom: 158 17V-HG1 G1 0.865 ambi=2 { CG1:19.275 } :: atom: 784 91L-HA A 5.283 ambi=1 { CA:53.089 } atom: 159 17V-HG2 G2 0.909 ambi=2 { CG2:21.463 } ::sumAvg: 4.705 atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } ::sumAvg: 4.405 atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 4 atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 4.835 atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } ::sumAvg: 3.42 atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } ::sumAvg: 3.42 atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } atom: 787 91L-HG G 1.54 ambi=1 { CG:26.77 } ::sumAvg: 4 atom: 165 18P-HA A 4.656 ambi=1 { CA:63.555 } atom: 796 92T-H N 8.45 ambi=1 { N:111.353 } ::sumAvg: 4.63 atom: 166 18P-HB2 B 2.316 ambi=2 { CB:31.676 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } :: atom: 167 18P-HB3 B 2.076 ambi=2 { CB:31.676 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } ::sumAvg: 4.42 atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } atom: 166 18P-HB2 B 2.316 ambi=2 { CB:31.676 } :: atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } atom: 167 18P-HB3 B 2.076 ambi=2 { CB:31.676 } ::sumAvg: 4.42 atom: 166 18P-HB2 B 2.316 ambi=2 { CB:31.676 } atom: 670 77V-H N 8.437 ambi=1 { N:116.09 } :: atom: 167 18P-HB3 B 2.076 ambi=2 { CB:31.676 } atom: 670 77V-H N 8.437 ambi=1 { N:116.09 } ::sumAvg: 4.075 atom: 166 18P-HB2 B 2.316 ambi=2 { CB:31.676 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } :: atom: 167 18P-HB3 B 2.076 ambi=2 { CB:31.676 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } ::sumAvg: 4.995 atom: 166 18P-HB2 B 2.316 ambi=2 { CB:31.676 } atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } :: atom: 167 18P-HB3 B 2.076 ambi=2 { CB:31.676 } atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } ::sumAvg: 4.885 atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } atom: 166 18P-HB2 B 2.316 ambi=2 { CB:31.676 } :: atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } atom: 167 18P-HB3 B 2.076 ambi=2 { CB:31.676 } ::sumAvg: 4.885 atom: 170 18P-HD2 D 3.776 ambi=2 { CD:51.216 } atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } :: atom: 171 18P-HD3 D 3.748 ambi=2 { CD:51.216 } atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } ::sumAvg: 4.49 atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } atom: 170 18P-HD2 D 3.776 ambi=2 { CD:51.216 } :: atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } atom: 171 18P-HD3 D 3.748 ambi=2 { CD:51.216 } ::sumAvg: 4.49 atom: 659 76P-HA A 5.241 ambi=1 { CA:62.084 } atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } ::sumAvg: 4.44 atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } :: atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } ::sumAvg: 4.45 atom: 784 91L-HA A 5.283 ambi=1 { CA:53.089 } atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } ::sumAvg: 2.93 atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } atom: 176 19A-H N 8.232 ambi=1 { N:120.703 } ::sumAvg: 4.335 atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } atom: 184 20L-HB2 B 1.498 ambi=2 { CB:45.131 } :: atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } atom: 185 20L-HB3 B 1.261 ambi=2 { CB:45.131 } ::sumAvg: 4.4 atom: 184 20L-HB2 B 1.498 ambi=2 { CB:45.131 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } :: atom: 185 20L-HB3 B 1.261 ambi=2 { CB:45.131 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } ::sumAvg: 4.4 atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } :: atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } ::sumAvg: 4.51 atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 4.61 atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } :: atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } ::sumAvg: 4.61 atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } atom: 660 76P-HB2 B 2.197 ambi=2 { CB:31.637 } :: atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } atom: 661 76P-HB3 B 1.901 ambi=2 { CB:31.637 } ::sumAvg: 3.9 atom: 660 76P-HB2 B 2.197 ambi=2 { CB:31.637 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } :: atom: 661 76P-HB3 B 1.901 ambi=2 { CB:31.637 } atom: 177 19A-HA A 5.293 ambi=1 { CA:50.977 } ::sumAvg: 3.9 atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 4.015 atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } ::sumAvg: 4.87 atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } ::sumAvg: 4.07 atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 4.07 atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 2.885 atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 4.17 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 4.17 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 3.705 atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 3.695 atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 3.695 atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } :: atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 4.93 atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 660 76P-HB2 B 2.197 ambi=2 { CB:31.637 } :: atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 661 76P-HB3 B 1.901 ambi=2 { CB:31.637 } ::sumAvg: 3.525 atom: 660 76P-HB2 B 2.197 ambi=2 { CB:31.637 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } :: atom: 661 76P-HB3 B 1.901 ambi=2 { CB:31.637 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 3.525 atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 662 76P-HG2 G 2.084 ambi=2 { CG:27.14 } :: atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 663 76P-HG3 G 2.072 ambi=2 { CG:27.14 } ::sumAvg: 4.16 atom: 662 76P-HG2 G 2.084 ambi=2 { CG:27.14 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } :: atom: 663 76P-HG3 G 2.072 ambi=2 { CG:27.14 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 4.16 atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } :: atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 3.565 atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } ::sumAvg: 4.88 atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 4.88 atom: 779 90G-HA2 A 4.238 ambi=2 { CA:45.404 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } :: atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 4.775 atom: 784 91L-HA A 5.283 ambi=1 { CA:53.089 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 3.645 atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 788 91L-HD1 D1 0.753 ambi=2 { CD1:22.016 } :: atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } atom: 789 91L-HD2 D2 0.693 ambi=2 { CD2:23.122 } ::sumAvg: 4.97 atom: 788 91L-HD1 D1 0.753 ambi=2 { CD1:22.016 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } :: atom: 789 91L-HD2 D2 0.693 ambi=2 { CD2:23.122 } atom: 178 19A-HB B 1.16 ambi=1 { CB:23.506 } ::sumAvg: 4.97 atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } ::sumAvg: 4.99 atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } :: atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } ::sumAvg: 4.18 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } ::sumAvg: 4.565 atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } ::sumAvg: 4.73 atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } :: atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } ::sumAvg: 4.495 atom: 659 76P-HA A 5.241 ambi=1 { CA:62.084 } atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } ::sumAvg: 3.425 atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 182 20L-H N 8.337 ambi=1 { N:120.567 } ::sumAvg: 4.53 atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } ::sumAvg: 4.38 atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } ::sumAvg: 4.38 atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } ::sumAvg: 4.35 atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } ::sumAvg: 4.35 atom: 199 21L-HG G 1.448 ambi=1 { CG:26.77 } atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } ::sumAvg: 4.41 atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 3.49 atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } :: atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } ::sumAvg: 3.49 atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } ::sumAvg: 4.855 atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } :: atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } ::sumAvg: 4.215 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } ::sumAvg: 4.175 atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } ::sumAvg: 4.775 atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } atom: 770 89T-H N 8.045 ambi=1 { N:110.202 } ::sumAvg: 4.585 atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } ::sumAvg: 4.21 atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } atom: 183 20L-HA A 5.064 ambi=1 { CA:53.731 } ::sumAvg: 4.21 atom: 184 20L-HB2 B 1.498 ambi=2 { CB:45.131 } atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } :: atom: 185 20L-HB3 B 1.261 ambi=2 { CB:45.131 } atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } ::sumAvg: 4.46 atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } atom: 184 20L-HB2 B 1.498 ambi=2 { CB:45.131 } ::sumAvg: 4.525 atom: 184 20L-HB2 B 1.498 ambi=2 { CB:45.131 } atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } :: atom: 185 20L-HB3 B 1.261 ambi=2 { CB:45.131 } atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } ::sumAvg: 4.27 atom: 184 20L-HB2 B 1.498 ambi=2 { CB:45.131 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } :: atom: 185 20L-HB3 B 1.261 ambi=2 { CB:45.131 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } ::sumAvg: 4.865 atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 184 20L-HB2 B 1.498 ambi=2 { CB:45.131 } :: atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 185 20L-HB3 B 1.261 ambi=2 { CB:45.131 } ::sumAvg: 4.865 atom: 184 20L-HB2 B 1.498 ambi=2 { CB:45.131 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } :: atom: 185 20L-HB3 B 1.261 ambi=2 { CB:45.131 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 4.34 atom: 184 20L-HB2 B 1.498 ambi=2 { CB:45.131 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } :: atom: 185 20L-HB3 B 1.261 ambi=2 { CB:45.131 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } ::sumAvg: 3.74 atom: 184 20L-HB2 B 1.498 ambi=2 { CB:45.131 } atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } :: atom: 185 20L-HB3 B 1.261 ambi=2 { CB:45.131 } atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } ::sumAvg: 4.575 atom: 186 20L-HG G 1.536 ambi=1 { CG:26.77 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } ::sumAvg: 3.95 atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 186 20L-HG G 1.536 ambi=1 { CG:26.77 } ::sumAvg: 3.95 atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } atom: 186 20L-HG G 1.536 ambi=1 { CG:26.77 } ::sumAvg: 4.62 atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } :: atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } ::sumAvg: 4.255 atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } :: atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } ::sumAvg: 4.255 atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 3.09 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } :: atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } ::sumAvg: 4.93 atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } :: atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } ::sumAvg: 4.24 atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } :: atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } ::sumAvg: 4.555 atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } :: atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } ::sumAvg: 4.93 atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } :: atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } ::sumAvg: 4.93 atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } :: atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } ::sumAvg: 4.825 atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } :: atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } ::sumAvg: 4.835 atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } :: atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } ::sumAvg: 4.835 atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } atom: 710 82E-H N 8.587 ambi=1 { N:124.826 } :: atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } atom: 710 82E-H N 8.587 ambi=1 { N:124.826 } ::sumAvg: 3.98 atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } :: atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } ::sumAvg: 4.145 atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } :: atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } ::sumAvg: 3.095 atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } :: atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } ::sumAvg: 3.095 atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } :: atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } ::sumAvg: 3.6 atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } atom: 187 20L-HD1 D1 0.906 ambi=2 { CD1:24.73 } :: atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } atom: 188 20L-HD2 D2 0.672 ambi=2 { CD2:24.1 } ::sumAvg: 3.6 atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } ::sumAvg: 4.865 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } ::sumAvg: 4.625 atom: 751 87V-HA A 4.303 ambi=1 { CA:61.738 } atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } ::sumAvg: 4.565 atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } ::sumAvg: 4.73 atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 195 21L-H N 9.192 ambi=1 { N:119.409 } ::sumAvg: 3.37 atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 210 22I-HB B 0.238 ambi=1 { CB:40.245 } ::sumAvg: 4.635 atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 211 22I-HG12 G1 1.255 ambi=2 { CG1:28.881 } :: atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 212 22I-HG13 G1 0.717 ambi=2 { CG1:28.881 } ::sumAvg: 4.88 atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } ::sumAvg: 4.45 atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } ::sumAvg: 4.42 atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } ::sumAvg: 4.04 atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } ::sumAvg: 4.04 atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } ::sumAvg: 3.165 atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } ::sumAvg: 2.945 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } ::sumAvg: 2.945 atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } ::sumAvg: 3.59 atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } ::sumAvg: 4.635 atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } :: atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } ::sumAvg: 3.725 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } ::sumAvg: 3.725 atom: 196 21L-HA A 4.225 ambi=1 { CA:53.832 } atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } ::sumAvg: 4.775 atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } ::sumAvg: 4.02 atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 210 22I-HB B 0.238 ambi=1 { CB:40.245 } ::sumAvg: 4.875 atom: 210 22I-HB B 0.238 ambi=1 { CB:40.245 } atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } ::sumAvg: 4.875 atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } ::sumAvg: 4.67 atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } ::sumAvg: 4.67 atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } ::sumAvg: 4.985 atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } ::sumAvg: 4.985 atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } ::sumAvg: 4.805 atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } ::sumAvg: 3.26 atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } :: atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } ::sumAvg: 2.845 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } ::sumAvg: 2.845 atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 645 75F-H N 8.426 ambi=1 { N:115.039 } ::sumAvg: 4.065 atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } :: atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } ::sumAvg: 4.92 atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } ::sumAvg: 4.48 atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } :: atom: 197 21L-QB B 1.658 ambi=2 { CB:46.169 } atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } ::sumAvg: 3.78 atom: 199 21L-HG G 1.448 ambi=1 { CG:26.77 } atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } :: atom: 199 21L-HG G 1.448 ambi=1 { CG:26.77 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } ::sumAvg: 3.875 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 199 21L-HG G 1.448 ambi=1 { CG:26.77 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 199 21L-HG G 1.448 ambi=1 { CG:26.77 } ::sumAvg: 3.875 atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 4.495 atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } :: atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } ::sumAvg: 4.43 atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 4.43 atom: 223 23R-HB2 B 1.821 ambi=2 { CB:32.502 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 224 23R-HB3 B 1.636 ambi=2 { CB:32.502 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 223 23R-HB2 B 1.821 ambi=2 { CB:32.502 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } :: atom: 224 23R-HB3 B 1.636 ambi=2 { CB:32.502 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 4 atom: 225 23R-QG G 1.545 ambi=2 { CG:28.108 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 225 23R-QG G 1.545 ambi=2 { CG:28.108 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 4.7 atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } :: atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } ::sumAvg: 4.58 atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } :: atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } :: atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } :: atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } ::sumAvg: 3.375 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 3.375 atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } :: atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } ::sumAvg: 3.955 atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 3.955 atom: 779 90G-HA2 A 4.238 ambi=2 { CA:45.404 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 779 90G-HA2 A 4.238 ambi=2 { CA:45.404 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } :: atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 3.905 atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } atom: 783 91L-H N 8.297 ambi=1 { N:124.145 } :: atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } atom: 783 91L-H N 8.297 ambi=1 { N:124.145 } ::sumAvg: 4.985 atom: 804 93P-QD D 3.635 ambi=2 { CD:49.981 } atom: 200 21L-HD1 D1 0.523 ambi=2 { CD1:24.73 } :: atom: 804 93P-QD D 3.635 ambi=2 { CD:49.981 } atom: 201 21L-HD2 D2 0.522 ambi=2 { CD2:24.1 } ::sumAvg: 4.89 atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } ::sumAvg: 4.685 atom: 630 73F-HB2 B 3.167 ambi=2 { CB:37.231 } atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } :: atom: 631 73F-HB3 B 3.029 ambi=2 { CB:37.231 } atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } ::sumAvg: 4.895 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } ::sumAvg: 4.13 atom: 751 87V-HA A 4.303 ambi=1 { CA:61.738 } atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } ::sumAvg: 4.58 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 208 22I-H N 8.227 ambi=1 { N:118.924 } ::sumAvg: 4.215 atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } ::sumAvg: 4.375 atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } ::sumAvg: 4.375 atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } atom: 223 23R-HB2 B 1.821 ambi=2 { CB:32.502 } :: atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } atom: 224 23R-HB3 B 1.636 ambi=2 { CB:32.502 } ::sumAvg: 4.78 atom: 223 23R-HB2 B 1.821 ambi=2 { CB:32.502 } atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } :: atom: 224 23R-HB3 B 1.636 ambi=2 { CB:32.502 } atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } ::sumAvg: 4.78 atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } atom: 225 23R-QG G 1.545 ambi=2 { CG:28.108 } ::sumAvg: 4.625 atom: 225 23R-QG G 1.545 ambi=2 { CG:28.108 } atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } ::sumAvg: 4.625 atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } :: atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } ::sumAvg: 3.81 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } ::sumAvg: 3.81 atom: 209 22I-HA A 4.211 ambi=1 { CA:60 } atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } ::sumAvg: 3.55 atom: 210 22I-HB B 0.238 ambi=1 { CB:40.245 } atom: 751 87V-HA A 4.303 ambi=1 { CA:61.738 } ::sumAvg: 3.69 atom: 751 87V-HA A 4.303 ambi=1 { CA:61.738 } atom: 210 22I-HB B 0.238 ambi=1 { CB:40.245 } ::sumAvg: 3.69 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 210 22I-HB B 0.238 ambi=1 { CB:40.245 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 210 22I-HB B 0.238 ambi=1 { CB:40.245 } ::sumAvg: 3.765 atom: 210 22I-HB B 0.238 ambi=1 { CB:40.245 } atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } ::sumAvg: 4.725 atom: 211 22I-HG12 G1 1.255 ambi=2 { CG1:28.881 } atom: 237 24T-HB B 4.153 ambi=1 { CB:69.091 } :: atom: 212 22I-HG13 G1 0.717 ambi=2 { CG1:28.881 } atom: 237 24T-HB B 4.153 ambi=1 { CB:69.091 } ::sumAvg: 4.955 atom: 211 22I-HG12 G1 1.255 ambi=2 { CG1:28.881 } atom: 739 86R-HB2 B 2.112 ambi=2 { CB:29.734 } :: atom: 211 22I-HG12 G1 1.255 ambi=2 { CG1:28.881 } atom: 740 86R-HB3 B 1.835 ambi=2 { CB:29.734 } :: atom: 212 22I-HG13 G1 0.717 ambi=2 { CG1:28.881 } atom: 739 86R-HB2 B 2.112 ambi=2 { CB:29.734 } :: atom: 212 22I-HG13 G1 0.717 ambi=2 { CG1:28.881 } atom: 740 86R-HB3 B 1.835 ambi=2 { CB:29.734 } ::sumAvg: 4.21 atom: 212 22I-HG13 G1 0.717 ambi=2 { CG1:28.881 } atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } ::sumAvg: 4.51 atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } atom: 212 22I-HG13 G1 0.717 ambi=2 { CG1:28.881 } ::sumAvg: 4.51 atom: 211 22I-HG12 G1 1.255 ambi=2 { CG1:28.881 } atom: 743 86R-HD2 D 3.212 ambi=2 { CD:43.1 } :: atom: 211 22I-HG12 G1 1.255 ambi=2 { CG1:28.881 } atom: 744 86R-HD3 D 3.129 ambi=2 { CD:43.1 } :: atom: 212 22I-HG13 G1 0.717 ambi=2 { CG1:28.881 } atom: 743 86R-HD2 D 3.212 ambi=2 { CD:43.1 } :: atom: 212 22I-HG13 G1 0.717 ambi=2 { CG1:28.881 } atom: 744 86R-HD3 D 3.129 ambi=2 { CD:43.1 } ::sumAvg: 4.545 atom: 211 22I-HG12 G1 1.255 ambi=2 { CG1:28.881 } atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } :: atom: 212 22I-HG13 G1 0.717 ambi=2 { CG1:28.881 } atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } ::sumAvg: 4.99 atom: 211 22I-HG12 G1 1.255 ambi=2 { CG1:28.881 } atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } :: atom: 212 22I-HG13 G1 0.717 ambi=2 { CG1:28.881 } atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } ::sumAvg: 4.5 atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } atom: 211 22I-HG12 G1 1.255 ambi=2 { CG1:28.881 } :: atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } atom: 212 22I-HG13 G1 0.717 ambi=2 { CG1:28.881 } ::sumAvg: 4.5 atom: 211 22I-HG12 G1 1.255 ambi=2 { CG1:28.881 } atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } :: atom: 212 22I-HG13 G1 0.717 ambi=2 { CG1:28.881 } atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } ::sumAvg: 4.62 atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } ::sumAvg: 4.12 atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } ::sumAvg: 4.12 atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 223 23R-HB2 B 1.821 ambi=2 { CB:32.502 } :: atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 224 23R-HB3 B 1.636 ambi=2 { CB:32.502 } ::sumAvg: 4.75 atom: 223 23R-HB2 B 1.821 ambi=2 { CB:32.502 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } :: atom: 224 23R-HB3 B 1.636 ambi=2 { CB:32.502 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } ::sumAvg: 4.75 atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 225 23R-QG G 1.545 ambi=2 { CG:28.108 } ::sumAvg: 4.42 atom: 225 23R-QG G 1.545 ambi=2 { CG:28.108 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } ::sumAvg: 4.42 atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 235 24T-H N 9.014 ambi=1 { N:119.704 } ::sumAvg: 4.25 atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } :: atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } ::sumAvg: 4.96 atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } ::sumAvg: 4.96 atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } ::sumAvg: 4.905 atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } ::sumAvg: 4.905 atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } ::sumAvg: 4.225 atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } ::sumAvg: 4.225 atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } ::sumAvg: 4.95 atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 751 87V-HA A 4.303 ambi=1 { CA:61.738 } ::sumAvg: 3.615 atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } ::sumAvg: 4.74 atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } ::sumAvg: 4.74 atom: 213 22I-HG2 G2 0.674 ambi=1 { CG2:17.523 } atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } ::sumAvg: 4.73 atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } ::sumAvg: 4.92 atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } ::sumAvg: 4.97 atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } atom: 739 86R-HB2 B 2.112 ambi=2 { CB:29.734 } :: atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } atom: 740 86R-HB3 B 1.835 ambi=2 { CB:29.734 } ::sumAvg: 4.075 atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } ::sumAvg: 4.385 atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } ::sumAvg: 4.385 atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } atom: 743 86R-HD2 D 3.212 ambi=2 { CD:43.1 } :: atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } atom: 744 86R-HD3 D 3.129 ambi=2 { CD:43.1 } ::sumAvg: 4.825 atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } ::sumAvg: 4.625 atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } ::sumAvg: 3.935 atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } ::sumAvg: 3.935 atom: 214 22I-HD1 D1 0.702 ambi=1 { CD1:13.41 } atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } ::sumAvg: 4.215 atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } atom: 221 23R-H N 8.753 ambi=1 { N:126.579 } :: atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } atom: 221 23R-H N 8.753 ambi=1 { N:126.579 } ::sumAvg: 4.06 atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } ::sumAvg: 4.36 atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } ::sumAvg: 4.36 atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } atom: 237 24T-HB B 4.153 ambi=1 { CB:69.091 } ::sumAvg: 4.86 atom: 237 24T-HB B 4.153 ambi=1 { CB:69.091 } atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } ::sumAvg: 4.86 atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } ::sumAvg: 4.485 atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } ::sumAvg: 4.485 atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } atom: 619 71V-H N 8.952 ambi=1 { N:121.045 } ::sumAvg: 4.78 atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.705 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 222 23R-HA A 5.603 ambi=1 { CA:53.954 } ::sumAvg: 4.705 atom: 223 23R-HB2 B 1.821 ambi=2 { CB:32.502 } atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } :: atom: 224 23R-HB3 B 1.636 ambi=2 { CB:32.502 } atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } ::sumAvg: 4.715 atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } atom: 223 23R-HB2 B 1.821 ambi=2 { CB:32.502 } :: atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } atom: 224 23R-HB3 B 1.636 ambi=2 { CB:32.502 } ::sumAvg: 4.715 atom: 613 70E-HG2 G 2.264 ambi=2 { CG:36.845 } atom: 223 23R-HB2 B 1.821 ambi=2 { CB:32.502 } :: atom: 613 70E-HG2 G 2.264 ambi=2 { CG:36.845 } atom: 224 23R-HB3 B 1.636 ambi=2 { CB:32.502 } :: atom: 614 70E-HG3 G 2.091 ambi=2 { CG:36.845 } atom: 224 23R-HB3 B 1.636 ambi=2 { CB:32.502 } ::sumAvg: 4.64 atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } atom: 225 23R-QG G 1.545 ambi=2 { CG:28.108 } ::sumAvg: 4.625 atom: 225 23R-QG G 1.545 ambi=2 { CG:28.108 } atom: 613 70E-HG2 G 2.264 ambi=2 { CG:36.845 } :: atom: 225 23R-QG G 1.545 ambi=2 { CG:28.108 } atom: 614 70E-HG3 G 2.091 ambi=2 { CG:36.845 } ::sumAvg: 4.93 atom: 613 70E-HG2 G 2.264 ambi=2 { CG:36.845 } atom: 225 23R-QG G 1.545 ambi=2 { CG:28.108 } :: atom: 614 70E-HG3 G 2.091 ambi=2 { CG:36.845 } atom: 225 23R-QG G 1.545 ambi=2 { CG:28.108 } ::sumAvg: 4.93 atom: 225 23R-QG G 1.545 ambi=2 { CG:28.108 } atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } :: atom: 225 23R-QG G 1.545 ambi=2 { CG:28.108 } atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } ::sumAvg: 4.27 atom: 227 23R-HD2 D 3.251 ambi=2 { CD:43.1 } atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } :: atom: 227 23R-HD2 D 3.251 ambi=2 { CD:43.1 } atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } :: atom: 228 23R-HD3 D 3.166 ambi=2 { CD:43.1 } atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } :: atom: 228 23R-HD3 D 3.166 ambi=2 { CD:43.1 } atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } ::sumAvg: 4.185 atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } atom: 227 23R-HD2 D 3.251 ambi=2 { CD:43.1 } :: atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } atom: 227 23R-HD2 D 3.251 ambi=2 { CD:43.1 } :: atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } atom: 228 23R-HD3 D 3.166 ambi=2 { CD:43.1 } :: atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } atom: 228 23R-HD3 D 3.166 ambi=2 { CD:43.1 } ::sumAvg: 4.185 atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } atom: 229 23R-HE E 7.554 ambi=1 {attached_atom is not_assigned} :: atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } atom: 229 23R-HE E 7.554 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.425 atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } atom: 235 24T-H N 9.014 ambi=1 { N:119.704 } ::sumAvg: 4.715 atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 235 24T-H N 9.014 ambi=1 { N:119.704 } ::sumAvg: 4.77 atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } ::sumAvg: 4.48 atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } atom: 247 25Q-HG2 G 2.275 ambi=2 { CG:33.72 } :: atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } atom: 248 25Q-HG3 G 2.213 ambi=2 { CG:33.72 } ::sumAvg: 4.46 atom: 247 25Q-HG2 G 2.275 ambi=2 { CG:33.72 } atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } :: atom: 248 25Q-HG3 G 2.213 ambi=2 { CG:33.72 } atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } ::sumAvg: 4.46 atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } atom: 249 25Q-HE21 E2 7.666 ambi=2 { NE2:111.827 } :: atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } atom: 250 25Q-HE22 E2 6.772 ambi=2 { NE2:111.827 } ::sumAvg: 4.84 atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } ::sumAvg: 4.925 atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } :: atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } ::sumAvg: 4.925 atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } atom: 619 71V-H N 8.952 ambi=1 { N:121.045 } ::sumAvg: 4.705 atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.51 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 236 24T-HA A 4.757 ambi=1 { CA:60 } ::sumAvg: 4.51 atom: 237 24T-HB B 4.153 ambi=1 { CB:69.091 } atom: 244 25Q-HA A 5.133 ambi=1 { CA:54.819 } ::sumAvg: 4.95 atom: 244 25Q-HA A 5.133 ambi=1 { CA:54.819 } atom: 237 24T-HB B 4.153 ambi=1 { CB:69.091 } ::sumAvg: 4.95 atom: 237 24T-HB B 4.153 ambi=1 { CB:69.091 } atom: 619 71V-H N 8.952 ambi=1 { N:121.045 } ::sumAvg: 4.675 atom: 237 24T-HB B 4.153 ambi=1 { CB:69.091 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 3.415 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 237 24T-HB B 4.153 ambi=1 { CB:69.091 } ::sumAvg: 3.415 atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } atom: 244 25Q-HA A 5.133 ambi=1 { CA:54.819 } ::sumAvg: 4.28 atom: 244 25Q-HA A 5.133 ambi=1 { CA:54.819 } atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } ::sumAvg: 4.28 atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } ::sumAvg: 4.645 atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } ::sumAvg: 4.645 atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } atom: 256 26T-H N 8.857 ambi=1 { N:119.487 } ::sumAvg: 4.99 atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } ::sumAvg: 4.795 atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } ::sumAvg: 4.795 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } ::sumAvg: 3.63 atom: 325 34L-HA A 4.13 ambi=1 { CA:57.846 } atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } ::sumAvg: 4.7 atom: 238 24T-HG2 G2 1.134 ambi=1 { CG2:19.281 } atom: 619 71V-H N 8.952 ambi=1 { N:121.045 } ::sumAvg: 4.28 atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 243 25Q-H N 8.139 ambi=1 { N:122.157 } :: atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } atom: 243 25Q-H N 8.139 ambi=1 { N:122.157 } ::sumAvg: 4.63 atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } atom: 243 25Q-H N 8.139 ambi=1 { N:122.157 } ::sumAvg: 4.485 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 243 25Q-H N 8.139 ambi=1 { N:122.157 } ::sumAvg: 4.25 atom: 244 25Q-HA A 5.133 ambi=1 { CA:54.819 } atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } ::sumAvg: 4.375 atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } atom: 244 25Q-HA A 5.133 ambi=1 { CA:54.819 } ::sumAvg: 4.375 atom: 244 25Q-HA A 5.133 ambi=1 { CA:54.819 } atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } ::sumAvg: 4.45 atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } atom: 244 25Q-HA A 5.133 ambi=1 { CA:54.819 } ::sumAvg: 4.45 atom: 244 25Q-HA A 5.133 ambi=1 { CA:54.819 } atom: 596 69F-H N 8.451 ambi=1 { N:120.703 } ::sumAvg: 4.535 atom: 244 25Q-HA A 5.133 ambi=1 { CA:54.819 } atom: 609 70E-H N 8.655 ambi=1 { N:120.157 } ::sumAvg: 4.565 atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 244 25Q-HA A 5.133 ambi=1 { CA:54.819 } ::sumAvg: 3.725 atom: 244 25Q-HA A 5.133 ambi=1 { CA:54.819 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 3.195 atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } ::sumAvg: 4.41 atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } ::sumAvg: 4.41 atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 4.825 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } ::sumAvg: 4.825 atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } atom: 589 68T-HA A 4.811 ambi=1 { CA:60.959 } ::sumAvg: 4.795 atom: 589 68T-HA A 4.811 ambi=1 { CA:60.959 } atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } ::sumAvg: 4.795 atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } atom: 590 68T-HB B 3.993 ambi=1 { CB:70.964 } ::sumAvg: 3.705 atom: 590 68T-HB B 3.993 ambi=1 { CB:70.964 } atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } ::sumAvg: 3.705 atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } ::sumAvg: 3.295 atom: 245 25Q-QB B 1.936 ambi=2 { CB:30.426 } atom: 619 71V-H N 8.952 ambi=1 { N:121.045 } ::sumAvg: 4.415 atom: 247 25Q-HG2 G 2.275 ambi=2 { CG:33.72 } atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } :: atom: 248 25Q-HG3 G 2.213 ambi=2 { CG:33.72 } atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } ::sumAvg: 4.3 atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } atom: 249 25Q-HE21 E2 7.666 ambi=2 { NE2:111.827 } :: atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } atom: 250 25Q-HE22 E2 6.772 ambi=2 { NE2:111.827 } ::sumAvg: 4.105 atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } atom: 256 26T-H N 8.857 ambi=1 { N:119.487 } ::sumAvg: 4.975 atom: 597 69F-HA A 5.093 ambi=1 { CA:55.943 } atom: 256 26T-H N 8.857 ambi=1 { N:119.487 } ::sumAvg: 4.985 atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } atom: 256 26T-H N 8.857 ambi=1 { N:119.487 } :: atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } atom: 256 26T-H N 8.857 ambi=1 { N:119.487 } ::sumAvg: 4.245 atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } atom: 256 26T-H N 8.857 ambi=1 { N:119.487 } ::sumAvg: 4.005 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 256 26T-H N 8.857 ambi=1 { N:119.487 } ::sumAvg: 3.565 atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } ::sumAvg: 3.995 atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } ::sumAvg: 3.995 atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } :: atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } ::sumAvg: 4.04 atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } :: atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } ::sumAvg: 4.04 atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } ::sumAvg: 4.115 atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } :: atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } ::sumAvg: 4.115 atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } ::sumAvg: 4.69 atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } ::sumAvg: 4.69 atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.82 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 257 26T-HA A 4.532 ambi=1 { CA:60.181 } ::sumAvg: 4.82 atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } ::sumAvg: 4.95 atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } ::sumAvg: 4.95 atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } ::sumAvg: 4.595 atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } :: atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } ::sumAvg: 4.17 atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } :: atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } ::sumAvg: 4.17 atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } :: atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } ::sumAvg: 4.865 atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } :: atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } ::sumAvg: 4.865 atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } atom: 328 34L-HG G 1.541 ambi=1 { CG:26.77 } ::sumAvg: 4.52 atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } ::sumAvg: 4.91 atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } ::sumAvg: 4.91 atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 3.765 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 258 26T-HB B 3.723 ambi=1 { CB:69.177 } ::sumAvg: 3.765 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } ::sumAvg: 4.455 atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 4.455 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } ::sumAvg: 4.37 atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 4.37 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } ::sumAvg: 4.715 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } :: atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } ::sumAvg: 3.89 atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } :: atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 3.89 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } ::sumAvg: 4.78 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } ::sumAvg: 3.86 atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 3.86 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } :: atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 302 31L-HB3 B 1.171 ambi=2 { CB:42.434 } ::sumAvg: 4.2 atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } :: atom: 302 31L-HB3 B 1.171 ambi=2 { CB:42.434 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 4.2 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 303 31L-HG G 1.564 ambi=1 { CG:26.77 } ::sumAvg: 4.11 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } :: atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } ::sumAvg: 4.705 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 328 34L-HG G 1.541 ambi=1 { CG:26.77 } ::sumAvg: 4.82 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } ::sumAvg: 3.635 atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 3.635 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } ::sumAvg: 4.685 atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 4.685 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 596 69F-H N 8.451 ambi=1 { N:120.703 } ::sumAvg: 4.175 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } :: atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } ::sumAvg: 4.74 atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } :: atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 4.74 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } ::sumAvg: 4.94 atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 4.94 atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } atom: 621 71V-HB B 2.084 ambi=1 { CB:36.359 } ::sumAvg: 4.92 atom: 621 71V-HB B 2.084 ambi=1 { CB:36.359 } atom: 259 26T-HG2 G2 0.621 ambi=1 { CG2:19.411 } ::sumAvg: 4.92 atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } atom: 264 27A-H N 8.332 ambi=1 { N:123.158 } ::sumAvg: 4.03 atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 264 27A-H N 8.332 ambi=1 { N:123.158 } :: atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } atom: 264 27A-H N 8.332 ambi=1 { N:123.158 } ::sumAvg: 4.355 atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } atom: 271 28M-HA A 4.289 ambi=1 { CA:58.192 } ::sumAvg: 4.38 atom: 271 28M-HA A 4.289 ambi=1 { CA:58.192 } atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } ::sumAvg: 4.38 atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } atom: 272 28M-QB B 2.193 ambi=2 { CB:31.644 } ::sumAvg: 4.48 atom: 272 28M-QB B 2.193 ambi=2 { CB:31.644 } atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } ::sumAvg: 4.48 atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } atom: 282 29S-H N 8.386 ambi=1 { N:111.369 } ::sumAvg: 4.74 atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } :: atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } ::sumAvg: 4.98 atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } :: atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } ::sumAvg: 4.98 atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } ::sumAvg: 4.65 atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } ::sumAvg: 4.65 atom: 265 27A-HA A 4.756 ambi=1 { CA:50.667 } atom: 596 69F-H N 8.451 ambi=1 { N:120.703 } ::sumAvg: 4.71 atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } atom: 271 28M-HA A 4.289 ambi=1 { CA:58.192 } ::sumAvg: 4.33 atom: 271 28M-HA A 4.289 ambi=1 { CA:58.192 } atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } ::sumAvg: 4.33 atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } atom: 272 28M-QB B 2.193 ambi=2 { CB:31.644 } ::sumAvg: 3.82 atom: 272 28M-QB B 2.193 ambi=2 { CB:31.644 } atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } ::sumAvg: 3.82 atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } atom: 274 28M-HG2 G 2.643 ambi=2 { CG:32.07 } :: atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } atom: 275 28M-HG3 G 2.626 ambi=2 { CG:32.07 } ::sumAvg: 4.12 atom: 274 28M-HG2 G 2.643 ambi=2 { CG:32.07 } atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } :: atom: 275 28M-HG3 G 2.626 ambi=2 { CG:32.07 } atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } ::sumAvg: 4.12 atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } atom: 276 28M-HE E 1.906 ambi=1 { CE:16.65 } ::sumAvg: 4.66 atom: 276 28M-HE E 1.906 ambi=1 { CE:16.65 } atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } ::sumAvg: 4.66 atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } :: atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } ::sumAvg: 3.53 atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } ::sumAvg: 4.015 atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } ::sumAvg: 4.015 atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } atom: 589 68T-HA A 4.811 ambi=1 { CA:60.959 } ::sumAvg: 4.395 atom: 589 68T-HA A 4.811 ambi=1 { CA:60.959 } atom: 266 27A-HB B 1.404 ambi=1 { CB:21.328 } ::sumAvg: 4.395 atom: 271 28M-HA A 4.289 ambi=1 { CA:58.192 } atom: 285 29S-HB3 B 3.862 ambi=2 { CB:62.344 } ::sumAvg: 4.96 atom: 272 28M-QB B 2.193 ambi=2 { CB:31.644 } atom: 283 29S-HA A 4.176 ambi=1 { CA:60.254 } ::sumAvg: 4.71 atom: 283 29S-HA A 4.176 ambi=1 { CA:60.254 } atom: 272 28M-QB B 2.193 ambi=2 { CB:31.644 } ::sumAvg: 4.71 atom: 272 28M-QB B 2.193 ambi=2 { CB:31.644 } atom: 284 29S-HB2 B 3.989 ambi=2 { CB:62.344 } :: atom: 272 28M-QB B 2.193 ambi=2 { CB:31.644 } atom: 285 29S-HB3 B 3.862 ambi=2 { CB:62.344 } ::sumAvg: 4.575 atom: 272 28M-QB B 2.193 ambi=2 { CB:31.644 } atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } ::sumAvg: 4.44 atom: 274 28M-HG2 G 2.643 ambi=2 { CG:32.07 } atom: 284 29S-HB2 B 3.989 ambi=2 { CB:62.344 } :: atom: 274 28M-HG2 G 2.643 ambi=2 { CG:32.07 } atom: 285 29S-HB3 B 3.862 ambi=2 { CB:62.344 } :: atom: 275 28M-HG3 G 2.626 ambi=2 { CG:32.07 } atom: 284 29S-HB2 B 3.989 ambi=2 { CB:62.344 } :: atom: 275 28M-HG3 G 2.626 ambi=2 { CG:32.07 } atom: 285 29S-HB3 B 3.862 ambi=2 { CB:62.344 } ::sumAvg: 4.995 atom: 284 29S-HB2 B 3.989 ambi=2 { CB:62.344 } atom: 274 28M-HG2 G 2.643 ambi=2 { CG:32.07 } :: atom: 285 29S-HB3 B 3.862 ambi=2 { CB:62.344 } atom: 274 28M-HG2 G 2.643 ambi=2 { CG:32.07 } :: atom: 284 29S-HB2 B 3.989 ambi=2 { CB:62.344 } atom: 275 28M-HG3 G 2.626 ambi=2 { CG:32.07 } :: atom: 285 29S-HB3 B 3.862 ambi=2 { CB:62.344 } atom: 275 28M-HG3 G 2.626 ambi=2 { CG:32.07 } ::sumAvg: 4.995 atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } atom: 282 29S-H N 8.386 ambi=1 { N:111.369 } ::sumAvg: 4.78 atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 282 29S-H N 8.386 ambi=1 { N:111.369 } :: atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } atom: 282 29S-H N 8.386 ambi=1 { N:111.369 } ::sumAvg: 4.27 atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } atom: 282 29S-H N 8.386 ambi=1 { N:111.369 } ::sumAvg: 4.715 atom: 304 31L-HD1 D1 0.785 ambi=2 { CD1:25.765 } atom: 282 29S-H N 8.386 ambi=1 { N:111.369 } :: atom: 305 31L-HD2 D2 0.704 ambi=2 { CD2:24.886 } atom: 282 29S-H N 8.386 ambi=1 { N:111.369 } ::sumAvg: 4.95 atom: 283 29S-HA A 4.176 ambi=1 { CA:60.254 } atom: 299 31L-H N 7.214 ambi=1 { N:119.881 } ::sumAvg: 3.72 atom: 283 29S-HA A 4.176 ambi=1 { CA:60.254 } atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } :: atom: 283 29S-HA A 4.176 ambi=1 { CA:60.254 } atom: 302 31L-HB3 B 1.171 ambi=2 { CB:42.434 } ::sumAvg: 4.54 atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } atom: 283 29S-HA A 4.176 ambi=1 { CA:60.254 } :: atom: 302 31L-HB3 B 1.171 ambi=2 { CB:42.434 } atom: 283 29S-HA A 4.176 ambi=1 { CA:60.254 } ::sumAvg: 4.54 atom: 284 29S-HB2 B 3.989 ambi=2 { CB:62.344 } atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } :: atom: 285 29S-HB3 B 3.862 ambi=2 { CB:62.344 } atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } ::sumAvg: 4.555 atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } atom: 284 29S-HB2 B 3.989 ambi=2 { CB:62.344 } :: atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } atom: 285 29S-HB3 B 3.862 ambi=2 { CB:62.344 } ::sumAvg: 4.555 atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 284 29S-HB2 B 3.989 ambi=2 { CB:62.344 } :: atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } atom: 284 29S-HB2 B 3.989 ambi=2 { CB:62.344 } :: atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 285 29S-HB3 B 3.862 ambi=2 { CB:62.344 } :: atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } atom: 285 29S-HB3 B 3.862 ambi=2 { CB:62.344 } ::sumAvg: 4.93 atom: 284 29S-HB2 B 3.989 ambi=2 { CB:62.344 } atom: 299 31L-H N 7.214 ambi=1 { N:119.881 } :: atom: 285 29S-HB3 B 3.862 ambi=2 { CB:62.344 } atom: 299 31L-H N 7.214 ambi=1 { N:119.881 } ::sumAvg: 4.86 atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } ::sumAvg: 4.615 atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } :: atom: 302 31L-HB3 B 1.171 ambi=2 { CB:42.434 } atom: 289 30E-H N 7.274 ambi=1 { N:119.258 } ::sumAvg: 4.475 atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } ::sumAvg: 4.735 atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } ::sumAvg: 4.735 atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } ::sumAvg: 3.565 atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } ::sumAvg: 4.075 atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } ::sumAvg: 4.075 atom: 290 30E-HA A 4.447 ambi=1 { CA:55.424 } atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } ::sumAvg: 4.285 atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } :: atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } ::sumAvg: 4.52 atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } :: atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } ::sumAvg: 4.52 atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 304 31L-HD1 D1 0.785 ambi=2 { CD1:25.765 } :: atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 305 31L-HD2 D2 0.704 ambi=2 { CD2:24.886 } :: atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } atom: 304 31L-HD1 D1 0.785 ambi=2 { CD1:25.765 } :: atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } atom: 305 31L-HD2 D2 0.704 ambi=2 { CD2:24.886 } ::sumAvg: 4.945 atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } :: atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } ::sumAvg: 4.575 atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } :: atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } ::sumAvg: 4.23 atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } :: atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } ::sumAvg: 4.23 atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } :: atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } ::sumAvg: 3.785 atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } :: atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } atom: 291 30E-HB2 B 2.239 ambi=2 { CB:30.513 } :: atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } :: atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } atom: 292 30E-HB3 B 1.881 ambi=2 { CB:30.513 } ::sumAvg: 3.785 atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } ::sumAvg: 4.89 atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } ::sumAvg: 4.89 atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } ::sumAvg: 4.46 atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } ::sumAvg: 3.255 atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } ::sumAvg: 4.39 atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } :: atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } ::sumAvg: 4.42 atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } :: atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } ::sumAvg: 4.42 atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } :: atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } atom: 293 30E-QG G 2.184 ambi=2 { CG:36.367 } ::sumAvg: 3.84 atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } ::sumAvg: 4.745 atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } ::sumAvg: 4.53 atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 3.84 atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } ::sumAvg: 3.84 atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } ::sumAvg: 3.99 atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } ::sumAvg: 3.99 atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.09 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 300 31L-HA A 3.48 ambi=1 { CA:57.926 } ::sumAvg: 4.09 atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } :: atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } :: atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } atom: 302 31L-HB3 B 1.171 ambi=2 { CB:42.434 } :: atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } atom: 302 31L-HB3 B 1.171 ambi=2 { CB:42.434 } ::sumAvg: 4.22 atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } :: atom: 302 31L-HB3 B 1.171 ambi=2 { CB:42.434 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 4.365 atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } :: atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 302 31L-HB3 B 1.171 ambi=2 { CB:42.434 } ::sumAvg: 4.365 atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } :: atom: 302 31L-HB3 B 1.171 ambi=2 { CB:42.434 } atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } ::sumAvg: 4.025 atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } :: atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } atom: 302 31L-HB3 B 1.171 ambi=2 { CB:42.434 } ::sumAvg: 4.025 atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.005 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 301 31L-HB2 B 1.466 ambi=2 { CB:42.434 } ::sumAvg: 4.005 atom: 303 31L-HG G 1.564 ambi=1 { CG:26.77 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 4.455 atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 303 31L-HG G 1.564 ambi=1 { CG:26.77 } ::sumAvg: 4.455 atom: 303 31L-HG G 1.564 ambi=1 { CG:26.77 } atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } ::sumAvg: 3.565 atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } atom: 303 31L-HG G 1.564 ambi=1 { CG:26.77 } ::sumAvg: 3.565 atom: 303 31L-HG G 1.564 ambi=1 { CG:26.77 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.48 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 303 31L-HG G 1.564 ambi=1 { CG:26.77 } ::sumAvg: 4.48 atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } atom: 304 31L-HD1 D1 0.785 ambi=2 { CD1:25.765 } :: atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } atom: 304 31L-HD1 D1 0.785 ambi=2 { CD1:25.765 } :: atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } atom: 305 31L-HD2 D2 0.704 ambi=2 { CD2:24.886 } :: atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } atom: 305 31L-HD2 D2 0.704 ambi=2 { CD2:24.886 } ::sumAvg: 4.24 atom: 304 31L-HD1 D1 0.785 ambi=2 { CD1:25.765 } atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } :: atom: 304 31L-HD1 D1 0.785 ambi=2 { CD1:25.765 } atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } :: atom: 305 31L-HD2 D2 0.704 ambi=2 { CD2:24.886 } atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } :: atom: 305 31L-HD2 D2 0.704 ambi=2 { CD2:24.886 } atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } ::sumAvg: 4.89 atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } atom: 304 31L-HD1 D1 0.785 ambi=2 { CD1:25.765 } :: atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } atom: 304 31L-HD1 D1 0.785 ambi=2 { CD1:25.765 } :: atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } atom: 305 31L-HD2 D2 0.704 ambi=2 { CD2:24.886 } :: atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } atom: 305 31L-HD2 D2 0.704 ambi=2 { CD2:24.886 } ::sumAvg: 4.89 atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } atom: 304 31L-HD1 D1 0.785 ambi=2 { CD1:25.765 } :: atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } atom: 305 31L-HD2 D2 0.704 ambi=2 { CD2:24.886 } ::sumAvg: 4.155 atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } atom: 304 31L-HD1 D1 0.785 ambi=2 { CD1:25.765 } :: atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } atom: 305 31L-HD2 D2 0.704 ambi=2 { CD2:24.886 } ::sumAvg: 3.965 atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } atom: 312 32G-H N 8.465 ambi=1 { N:104.605 } ::sumAvg: 4.84 atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } atom: 318 33S-HA A 4.321 ambi=1 { CA:60.699 } :: atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } atom: 318 33S-HA A 4.321 ambi=1 { CA:60.699 } ::sumAvg: 4.27 atom: 318 33S-HA A 4.321 ambi=1 { CA:60.699 } atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } :: atom: 318 33S-HA A 4.321 ambi=1 { CA:60.699 } atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } ::sumAvg: 4.27 atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } :: atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } ::sumAvg: 4.415 atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } :: atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } ::sumAvg: 3.85 atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } :: atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } :: atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } :: atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } ::sumAvg: 4.23 atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } :: atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } :: atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } :: atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } ::sumAvg: 4.23 atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } :: atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 3.645 atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } :: atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } ::sumAvg: 3.645 atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } :: atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } ::sumAvg: 4.895 atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } :: atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } ::sumAvg: 4.895 atom: 313 32G-HA2 A 3.809 ambi=2 { CA:47.466 } atom: 352 36E-H N 8.026 ambi=1 { N:118.798 } :: atom: 314 32G-HA3 A 3.59 ambi=2 { CA:47.466 } atom: 352 36E-H N 8.026 ambi=1 { N:118.798 } ::sumAvg: 4.85 atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } :: atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } atom: 317 33S-H N 8.093 ambi=1 { N:117.09 } ::sumAvg: 4.76 atom: 318 33S-HA A 4.321 ambi=1 { CA:60.699 } atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } ::sumAvg: 4.415 atom: 356 36E-HG2 G 2.386 ambi=2 { CG:36.01 } atom: 318 33S-HA A 4.321 ambi=1 { CA:60.699 } :: atom: 357 36E-HG3 G 2.26 ambi=2 { CG:36.01 } atom: 318 33S-HA A 4.321 ambi=1 { CA:60.699 } ::sumAvg: 4.235 atom: 318 33S-HA A 4.321 ambi=1 { CA:60.699 } atom: 362 37A-H N 7.621 ambi=1 { N:118.487 } ::sumAvg: 4.36 atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } :: atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } ::sumAvg: 4.41 atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } atom: 328 34L-HG G 1.541 ambi=1 { CG:26.77 } ::sumAvg: 4.83 atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } ::sumAvg: 3.885 atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } :: atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } ::sumAvg: 3.885 atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } atom: 337 35F-H N 8.622 ambi=1 { N:119.108 } ::sumAvg: 4.815 atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } atom: 352 36E-H N 8.026 ambi=1 { N:118.798 } ::sumAvg: 4.975 atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } ::sumAvg: 4.5 atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } atom: 319 33S-QB B 3.885 ambi=2 { CB:62.603 } ::sumAvg: 4.5 atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 324 34L-H N 7.864 ambi=1 { N:125.096 } ::sumAvg: 4.475 atom: 325 34L-HA A 4.13 ambi=1 { CA:57.846 } atom: 352 36E-H N 8.026 ambi=1 { N:118.798 } ::sumAvg: 4.53 atom: 325 34L-HA A 4.13 ambi=1 { CA:57.846 } atom: 362 37A-H N 7.621 ambi=1 { N:118.487 } ::sumAvg: 3.885 atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } :: atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } ::sumAvg: 4.275 atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } :: atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } :: atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } :: atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } ::sumAvg: 4.97 atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } :: atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } :: atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } :: atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } ::sumAvg: 4.97 atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } :: atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 3.78 atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } :: atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } ::sumAvg: 3.78 atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } :: atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } ::sumAvg: 4.88 atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } :: atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } ::sumAvg: 4.88 atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } :: atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.145 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 326 34L-HB2 B 1.7 ambi=2 { CB:42.103 } :: atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 327 34L-HB3 B 1.571 ambi=2 { CB:42.103 } ::sumAvg: 4.145 atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } atom: 328 34L-HG G 1.541 ambi=1 { CG:26.77 } ::sumAvg: 4.985 atom: 328 34L-HG G 1.541 ambi=1 { CG:26.77 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.905 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 328 34L-HG G 1.541 ambi=1 { CG:26.77 } ::sumAvg: 4.905 atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } :: atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } ::sumAvg: 4.195 atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } ::sumAvg: 4.195 atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } :: atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 4.205 atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 362 37A-H N 7.621 ambi=1 { N:118.487 } :: atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } atom: 362 37A-H N 7.621 ambi=1 { N:118.487 } ::sumAvg: 4.99 atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } ::sumAvg: 4.16 atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } :: atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } :: atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } :: atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } ::sumAvg: 4.785 atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } ::sumAvg: 4.785 atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } atom: 329 34L-HD1 D1 1.029 ambi=2 { CD1:23.339 } :: atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } atom: 330 34L-HD2 D2 0.747 ambi=2 { CD2:25.878 } ::sumAvg: 4.985 atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } atom: 362 37A-H N 7.621 ambi=1 { N:118.487 } ::sumAvg: 4.445 atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } ::sumAvg: 4.405 atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } ::sumAvg: 4.97 atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } ::sumAvg: 4.97 atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } ::sumAvg: 4.44 atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } atom: 338 35F-HA A 3.901 ambi=1 { CA:56.84 } ::sumAvg: 4.44 atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } :: atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } ::sumAvg: 4.245 atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } :: atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } ::sumAvg: 4.245 atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } :: atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } ::sumAvg: 4.5 atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } :: atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } ::sumAvg: 4.5 atom: 339 35F-HB2 B 3.128 ambi=2 { CB:36.44 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } :: atom: 340 35F-HB3 B 3.013 ambi=2 { CB:36.44 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } ::sumAvg: 4.525 atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } ::sumAvg: 4.5 atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 4.5 atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 4.97 atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } ::sumAvg: 4.975 atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 4.975 atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 4.855 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 4.855 atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 3.875 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 3.875 atom: 630 73F-HB2 B 3.167 ambi=2 { CB:37.231 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } :: atom: 631 73F-HB3 B 3.029 ambi=2 { CB:37.231 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 4.735 atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } ::sumAvg: 3.45 atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } atom: 341 35F-QD D 6.089 ambi=3 { CD1:128.402 } ::sumAvg: 3.45 atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } ::sumAvg: 4.705 atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } ::sumAvg: 4.705 atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } atom: 621 71V-HB B 2.084 ambi=1 { CB:36.359 } ::sumAvg: 3.785 atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } atom: 629 73F-HA A 4.74 ambi=1 { CA:60.685 } ::sumAvg: 4.185 atom: 629 73F-HA A 4.74 ambi=1 { CA:60.685 } atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } ::sumAvg: 4.185 atom: 630 73F-HB2 B 3.167 ambi=2 { CB:37.231 } atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } :: atom: 631 73F-HB3 B 3.029 ambi=2 { CB:37.231 } atom: 343 35F-QE E 6.769 ambi=3 { CE1:130.48 } ::sumAvg: 4.345 atom: 345 35F-HZ Z 6.977 ambi=1 { CZ:128.741 } atom: 621 71V-HB B 2.084 ambi=1 { CB:36.359 } ::sumAvg: 3.955 atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } atom: 352 36E-H N 8.026 ambi=1 { N:118.798 } ::sumAvg: 4.43 atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } ::sumAvg: 4.98 atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } atom: 368 38G-H N 8.667 ambi=1 { N:107.087 } ::sumAvg: 4.325 atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } ::sumAvg: 4.095 atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } ::sumAvg: 3.925 atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } ::sumAvg: 3.925 atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } atom: 379 39Y-QE E 6.291 ambi=3 { CE1:117.81 } ::sumAvg: 4.485 atom: 379 39Y-QE E 6.291 ambi=3 { CE1:117.81 } atom: 353 36E-HA A 4.116 ambi=1 { CA:60.069 } ::sumAvg: 4.485 atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } atom: 354 36E-HB2 B 2.244 ambi=2 { CB:29.757 } :: atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } atom: 355 36E-HB3 B 2.113 ambi=2 { CB:29.757 } ::sumAvg: 4.15 atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } atom: 354 36E-HB2 B 2.244 ambi=2 { CB:29.757 } :: atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } atom: 355 36E-HB3 B 2.113 ambi=2 { CB:29.757 } ::sumAvg: 3.895 atom: 354 36E-HB2 B 2.244 ambi=2 { CB:29.757 } atom: 368 38G-H N 8.667 ambi=1 { N:107.087 } :: atom: 355 36E-HB3 B 2.113 ambi=2 { CB:29.757 } atom: 368 38G-H N 8.667 ambi=1 { N:107.087 } ::sumAvg: 4.95 atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } atom: 356 36E-HG2 G 2.386 ambi=2 { CG:36.01 } :: atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } atom: 357 36E-HG3 G 2.26 ambi=2 { CG:36.01 } ::sumAvg: 4.96 atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 362 37A-H N 7.621 ambi=1 { N:118.487 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 362 37A-H N 7.621 ambi=1 { N:118.487 } ::sumAvg: 4.72 atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } :: atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } ::sumAvg: 4.795 atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } ::sumAvg: 4.795 atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } ::sumAvg: 4.545 atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } atom: 386 40H-H N 7.357 ambi=1 { N:115.64 } ::sumAvg: 3.96 atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } atom: 388 40H-HB2 B 3.551 ambi=2 { CB:28.523 } :: atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } atom: 389 40H-HB3 B 3.514 ambi=2 { CB:28.523 } ::sumAvg: 3.555 atom: 363 37A-HA A 4.37 ambi=1 { CA:54.437 } atom: 393 41D-H N 8.476 ambi=1 { N:120.822 } ::sumAvg: 4.965 atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } :: atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } ::sumAvg: 3.81 atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } ::sumAvg: 3.81 atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } ::sumAvg: 4.775 atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } atom: 386 40H-H N 7.357 ambi=1 { N:115.64 } ::sumAvg: 4.905 atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } atom: 388 40H-HB2 B 3.551 ambi=2 { CB:28.523 } :: atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } atom: 389 40H-HB3 B 3.514 ambi=2 { CB:28.523 } ::sumAvg: 4.85 atom: 388 40H-HB2 B 3.551 ambi=2 { CB:28.523 } atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } :: atom: 389 40H-HB3 B 3.514 ambi=2 { CB:28.523 } atom: 364 37A-HB B 1.575 ambi=1 { CB:18.843 } ::sumAvg: 4.85 atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 374 39Y-HA A 4.656 ambi=1 { CA:61.969 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 374 39Y-HA A 4.656 ambi=1 { CA:61.969 } ::sumAvg: 4.215 atom: 374 39Y-HA A 4.656 ambi=1 { CA:61.969 } atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } :: atom: 374 39Y-HA A 4.656 ambi=1 { CA:61.969 } atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } ::sumAvg: 4.215 atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 375 39Y-HB2 B 3.304 ambi=2 { CB:36.496 } :: atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 376 39Y-HB3 B 3.19 ambi=2 { CB:36.496 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 375 39Y-HB2 B 3.304 ambi=2 { CB:36.496 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 376 39Y-HB3 B 3.19 ambi=2 { CB:36.496 } ::sumAvg: 4.885 atom: 375 39Y-HB2 B 3.304 ambi=2 { CB:36.496 } atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } :: atom: 376 39Y-HB3 B 3.19 ambi=2 { CB:36.496 } atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } :: atom: 375 39Y-HB2 B 3.304 ambi=2 { CB:36.496 } atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } :: atom: 376 39Y-HB3 B 3.19 ambi=2 { CB:36.496 } atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } ::sumAvg: 4.885 atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 386 40H-H N 7.357 ambi=1 { N:115.64 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 386 40H-H N 7.357 ambi=1 { N:115.64 } ::sumAvg: 4.39 atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 393 41D-H N 8.476 ambi=1 { N:120.822 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 393 41D-H N 8.476 ambi=1 { N:120.822 } ::sumAvg: 3.985 atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } ::sumAvg: 4.735 atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } :: atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } ::sumAvg: 4.735 atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } ::sumAvg: 4.745 atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } :: atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } ::sumAvg: 4.745 atom: 369 38G-HA2 A 3.962 ambi=2 { CA:47.88 } atom: 634 73F-QE E 6.997 ambi=3 { CE1:129.063 } :: atom: 370 38G-HA3 A 3.949 ambi=2 { CA:47.88 } atom: 634 73F-QE E 6.997 ambi=3 { CE1:129.063 } ::sumAvg: 4.04 atom: 388 40H-HB2 B 3.551 ambi=2 { CB:28.523 } atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } :: atom: 389 40H-HB3 B 3.514 ambi=2 { CB:28.523 } atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } ::sumAvg: 4.82 atom: 634 73F-QE E 6.997 ambi=3 { CE1:129.063 } atom: 373 39Y-H N 9.586 ambi=1 { N:120.685 } ::sumAvg: 4.065 atom: 374 39Y-HA A 4.656 ambi=1 { CA:61.969 } atom: 393 41D-H N 8.476 ambi=1 { N:120.822 } ::sumAvg: 4.17 atom: 374 39Y-HA A 4.656 ambi=1 { CA:61.969 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } ::sumAvg: 4.995 atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } atom: 374 39Y-HA A 4.656 ambi=1 { CA:61.969 } ::sumAvg: 4.995 atom: 374 39Y-HA A 4.656 ambi=1 { CA:61.969 } atom: 634 73F-QE E 6.997 ambi=3 { CE1:129.063 } ::sumAvg: 4.595 atom: 634 73F-QE E 6.997 ambi=3 { CE1:129.063 } atom: 374 39Y-HA A 4.656 ambi=1 { CA:61.969 } ::sumAvg: 4.595 atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } atom: 374 39Y-HA A 4.656 ambi=1 { CA:61.969 } ::sumAvg: 4.07 atom: 375 39Y-HB2 B 3.304 ambi=2 { CB:36.496 } atom: 387 40H-HA A 4.412 ambi=1 { CA:60.061 } :: atom: 376 39Y-HB3 B 3.19 ambi=2 { CB:36.496 } atom: 387 40H-HA A 4.412 ambi=1 { CA:60.061 } ::sumAvg: 4.425 atom: 387 40H-HA A 4.412 ambi=1 { CA:60.061 } atom: 375 39Y-HB2 B 3.304 ambi=2 { CB:36.496 } :: atom: 387 40H-HA A 4.412 ambi=1 { CA:60.061 } atom: 376 39Y-HB3 B 3.19 ambi=2 { CB:36.496 } ::sumAvg: 4.425 atom: 375 39Y-HB2 B 3.304 ambi=2 { CB:36.496 } atom: 634 73F-QE E 6.997 ambi=3 { CE1:129.063 } :: atom: 376 39Y-HB3 B 3.19 ambi=2 { CB:36.496 } atom: 634 73F-QE E 6.997 ambi=3 { CE1:129.063 } ::sumAvg: 4.78 atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } atom: 387 40H-HA A 4.412 ambi=1 { CA:60.061 } ::sumAvg: 4.305 atom: 387 40H-HA A 4.412 ambi=1 { CA:60.061 } atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } ::sumAvg: 4.305 atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } atom: 388 40H-HB2 B 3.551 ambi=2 { CB:28.523 } :: atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } atom: 389 40H-HB3 B 3.514 ambi=2 { CB:28.523 } ::sumAvg: 4.915 atom: 388 40H-HB2 B 3.551 ambi=2 { CB:28.523 } atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } :: atom: 389 40H-HB3 B 3.514 ambi=2 { CB:28.523 } atom: 377 39Y-QD D 6.92 ambi=3 { CD1:132.249 } ::sumAvg: 4.915 atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 4.645 atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } ::sumAvg: 4.24 atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } ::sumAvg: 4.24 atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } atom: 634 73F-QE E 6.997 ambi=3 { CE1:129.063 } ::sumAvg: 3.75 atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } :: atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } ::sumAvg: 4.465 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } ::sumAvg: 4.465 atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } ::sumAvg: 3.245 atom: 395 42I-HD1 D1 0.908 ambi=1 { CD1:14.9 } atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } ::sumAvg: 4.81 atom: 406 45L-HB2 B 1.885 ambi=2 { CB:42.028 } atom: 397 44Q-H N 8.429 ambi=1 { N:119.06 } :: atom: 407 45L-HB3 B 1.838 ambi=2 { CB:42.028 } atom: 397 44Q-H N 8.429 ambi=1 { N:119.06 } ::sumAvg: 4.965 atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 397 44Q-H N 8.429 ambi=1 { N:119.06 } :: atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } atom: 397 44Q-H N 8.429 ambi=1 { N:119.06 } ::sumAvg: 4.76 atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } atom: 397 44Q-H N 8.429 ambi=1 { N:119.06 } ::sumAvg: 4.655 atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } atom: 398 44Q-HA A 4.046 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.84 atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } atom: 399 44Q-HG3 G 2.175 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.95 atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } atom: 399 44Q-HG3 G 2.175 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.555 atom: 417 46L-HB2 B 1.807 ambi=2 { CB:41.318 } atom: 404 45L-H N 7.841 ambi=1 { N:123.663 } :: atom: 418 46L-HB3 B 1.176 ambi=2 { CB:41.318 } atom: 404 45L-H N 7.841 ambi=1 { N:123.663 } ::sumAvg: 4.695 atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } atom: 404 45L-H N 7.841 ambi=1 { N:123.663 } :: atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } atom: 404 45L-H N 7.841 ambi=1 { N:123.663 } ::sumAvg: 4.795 atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } atom: 404 45L-H N 7.841 ambi=1 { N:123.663 } ::sumAvg: 4.97 atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } ::sumAvg: 4.66 atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } ::sumAvg: 4.66 atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } atom: 428 47A-H N 8.521 ambi=1 { N:122.562 } ::sumAvg: 4.905 atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } atom: 434 48G-H N 8.168 ambi=1 { N:106.088 } ::sumAvg: 4.395 atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } ::sumAvg: 4.97 atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } ::sumAvg: 4.97 atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } atom: 445 49Q-HE21 E2 7.645 ambi=2 { NE2:110.406 } :: atom: 405 45L-HA A 4.188 ambi=1 { CA:57.78 } atom: 446 49Q-HE22 E2 6.605 ambi=2 { NE2:110.406 } ::sumAvg: 4.91 atom: 406 45L-HB2 B 1.885 ambi=2 { CB:42.028 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } :: atom: 407 45L-HB3 B 1.838 ambi=2 { CB:42.028 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } ::sumAvg: 4.495 atom: 406 45L-HB2 B 1.885 ambi=2 { CB:42.028 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } :: atom: 407 45L-HB3 B 1.838 ambi=2 { CB:42.028 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 4.37 atom: 406 45L-HB2 B 1.885 ambi=2 { CB:42.028 } atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } :: atom: 406 45L-HB2 B 1.885 ambi=2 { CB:42.028 } atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } :: atom: 407 45L-HB3 B 1.838 ambi=2 { CB:42.028 } atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } :: atom: 407 45L-HB3 B 1.838 ambi=2 { CB:42.028 } atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } ::sumAvg: 4.875 atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } atom: 406 45L-HB2 B 1.885 ambi=2 { CB:42.028 } :: atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } atom: 406 45L-HB2 B 1.885 ambi=2 { CB:42.028 } :: atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } atom: 407 45L-HB3 B 1.838 ambi=2 { CB:42.028 } :: atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } atom: 407 45L-HB3 B 1.838 ambi=2 { CB:42.028 } ::sumAvg: 4.875 atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } :: atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } ::sumAvg: 4.01 atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 4.225 atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } :: atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } ::sumAvg: 4.965 atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } :: atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } ::sumAvg: 4.245 atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } :: atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } ::sumAvg: 4.245 atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 443 49Q-HG2 G 2.537 ambi=2 { CG:34.261 } :: atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 444 49Q-HG3 G 2.372 ambi=2 { CG:34.261 } :: atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } atom: 443 49Q-HG2 G 2.537 ambi=2 { CG:34.261 } :: atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } atom: 444 49Q-HG3 G 2.372 ambi=2 { CG:34.261 } ::sumAvg: 4.55 atom: 443 49Q-HG2 G 2.537 ambi=2 { CG:34.261 } atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } :: atom: 444 49Q-HG3 G 2.372 ambi=2 { CG:34.261 } atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } :: atom: 443 49Q-HG2 G 2.537 ambi=2 { CG:34.261 } atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } :: atom: 444 49Q-HG3 G 2.372 ambi=2 { CG:34.261 } atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } ::sumAvg: 4.55 atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 710 82E-H N 8.587 ambi=1 { N:124.826 } :: atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } atom: 710 82E-H N 8.587 ambi=1 { N:124.826 } ::sumAvg: 3.865 atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 714 82E-HG2 G 2.333 ambi=2 { CG:36.01 } :: atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 715 82E-HG3 G 2.251 ambi=2 { CG:36.01 } :: atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } atom: 714 82E-HG2 G 2.333 ambi=2 { CG:36.01 } :: atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } atom: 715 82E-HG3 G 2.251 ambi=2 { CG:36.01 } ::sumAvg: 4.365 atom: 714 82E-HG2 G 2.333 ambi=2 { CG:36.01 } atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } :: atom: 715 82E-HG3 G 2.251 ambi=2 { CG:36.01 } atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } :: atom: 714 82E-HG2 G 2.333 ambi=2 { CG:36.01 } atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } :: atom: 715 82E-HG3 G 2.251 ambi=2 { CG:36.01 } atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } ::sumAvg: 4.365 atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 726 84S-HA A 4.383 ambi=1 { CA:58.797 } :: atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } atom: 726 84S-HA A 4.383 ambi=1 { CA:58.797 } ::sumAvg: 3.79 atom: 726 84S-HA A 4.383 ambi=1 { CA:58.797 } atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } :: atom: 726 84S-HA A 4.383 ambi=1 { CA:58.797 } atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } ::sumAvg: 3.79 atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } :: atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } ::sumAvg: 4.69 atom: 408 45L-HD1 D1 0.95 ambi=2 { CD1:25.401 } atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } :: atom: 409 45L-HD2 D2 0.674 ambi=2 { CD2:23.651 } atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } ::sumAvg: 3.925 atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } atom: 415 46L-H N 8.224 ambi=1 { N:120.232 } ::sumAvg: 4.185 atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 415 46L-H N 8.224 ambi=1 { N:120.232 } ::sumAvg: 4.815 atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } ::sumAvg: 4.705 atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } ::sumAvg: 4.705 atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } atom: 434 48G-H N 8.168 ambi=1 { N:106.088 } ::sumAvg: 4.425 atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } ::sumAvg: 3.95 atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } atom: 445 49Q-HE21 E2 7.645 ambi=2 { NE2:110.406 } :: atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } atom: 446 49Q-HE22 E2 6.605 ambi=2 { NE2:110.406 } ::sumAvg: 4.995 atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } ::sumAvg: 4.845 atom: 459 51K-HB2 B 1.803 ambi=2 { CB:36.653 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } :: atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } ::sumAvg: 4.4 atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } ::sumAvg: 4.14 atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } atom: 416 46L-HA A 3.755 ambi=1 { CA:57.932 } ::sumAvg: 4.14 atom: 417 46L-HB2 B 1.807 ambi=2 { CB:41.318 } atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } :: atom: 418 46L-HB3 B 1.176 ambi=2 { CB:41.318 } atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } ::sumAvg: 4.16 atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } atom: 417 46L-HB2 B 1.807 ambi=2 { CB:41.318 } :: atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } atom: 418 46L-HB3 B 1.176 ambi=2 { CB:41.318 } ::sumAvg: 4.16 atom: 417 46L-HB2 B 1.807 ambi=2 { CB:41.318 } atom: 434 48G-H N 8.168 ambi=1 { N:106.088 } :: atom: 418 46L-HB3 B 1.176 ambi=2 { CB:41.318 } atom: 434 48G-H N 8.168 ambi=1 { N:106.088 } ::sumAvg: 4.705 atom: 417 46L-HB2 B 1.807 ambi=2 { CB:41.318 } atom: 457 51K-H N 7.93 ambi=1 { N:118.185 } :: atom: 418 46L-HB3 B 1.176 ambi=2 { CB:41.318 } atom: 457 51K-H N 7.93 ambi=1 { N:118.185 } ::sumAvg: 4.835 atom: 417 46L-HB2 B 1.807 ambi=2 { CB:41.318 } atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } ::sumAvg: 4.995 atom: 417 46L-HB2 B 1.807 ambi=2 { CB:41.318 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 3.93 atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 417 46L-HB2 B 1.807 ambi=2 { CB:41.318 } ::sumAvg: 3.93 atom: 419 46L-HG G 1.555 ambi=1 { CG:26.77 } atom: 474 52S-HA A 4.777 ambi=1 { CA:56.065 } ::sumAvg: 4.58 atom: 419 46L-HG G 1.555 ambi=1 { CG:26.77 } atom: 483 53P-HG2 G 2.127 ambi=2 { CG:27.14 } :: atom: 419 46L-HG G 1.555 ambi=1 { CG:26.77 } atom: 484 53P-HG3 G 2.068 ambi=2 { CG:27.14 } ::sumAvg: 4.51 atom: 483 53P-HG2 G 2.127 ambi=2 { CG:27.14 } atom: 419 46L-HG G 1.555 ambi=1 { CG:26.77 } :: atom: 484 53P-HG3 G 2.068 ambi=2 { CG:27.14 } atom: 419 46L-HG G 1.555 ambi=1 { CG:26.77 } ::sumAvg: 4.51 atom: 485 53P-HD2 D 3.861 ambi=2 { CD:50.092 } atom: 419 46L-HG G 1.555 ambi=1 { CG:26.77 } :: atom: 486 53P-HD3 D 3.751 ambi=2 { CD:50.092 } atom: 419 46L-HG G 1.555 ambi=1 { CG:26.77 } ::sumAvg: 4.685 atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } :: atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } ::sumAvg: 4.31 atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 4.31 atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 4.31 atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } :: atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } ::sumAvg: 4.305 atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 4.305 atom: 458 51K-HA A 4.793 ambi=1 { CA:53.801 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 458 51K-HA A 4.793 ambi=1 { CA:53.801 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 4.805 atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } :: atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } ::sumAvg: 3.53 atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 3.53 atom: 463 51K-HD2 D 1.514 ambi=2 { CD:28.464 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 464 51K-HD3 D 1.673 ambi=2 { CD:28.464 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 463 51K-HD2 D 1.514 ambi=2 { CD:28.464 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } :: atom: 464 51K-HD3 D 1.673 ambi=2 { CD:28.464 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 4.49 atom: 481 53P-HB2 B 2.184 ambi=2 { CB:33.281 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 482 53P-HB3 B 2.087 ambi=2 { CB:33.281 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 481 53P-HB2 B 2.184 ambi=2 { CB:33.281 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } :: atom: 482 53P-HB3 B 2.087 ambi=2 { CB:33.281 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 4.225 atom: 485 53P-HD2 D 3.861 ambi=2 { CD:50.092 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 486 53P-HD3 D 3.751 ambi=2 { CD:50.092 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 485 53P-HD2 D 3.861 ambi=2 { CD:50.092 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } :: atom: 486 53P-HD3 D 3.751 ambi=2 { CD:50.092 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 3.43 atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } :: atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } ::sumAvg: 4.345 atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 4.345 atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } :: atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } ::sumAvg: 4.26 atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } :: atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 4.26 atom: 420 46L-HD1 D1 0.626 ambi=2 { CD1:24.166 } atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } :: atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } ::sumAvg: 4.5 atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } ::sumAvg: 4.905 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 421 46L-HD2 D2 0.468 ambi=2 { CD2:25.548 } ::sumAvg: 4.905 atom: 435 48G-HA2 A 4.077 ambi=2 { CA:46.636 } atom: 428 47A-H N 8.521 ambi=1 { N:122.562 } :: atom: 436 48G-HA3 A 4.006 ambi=2 { CA:46.636 } atom: 428 47A-H N 8.521 ambi=1 { N:122.562 } ::sumAvg: 4.85 atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } ::sumAvg: 4.015 atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } ::sumAvg: 3.585 atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } ::sumAvg: 4.995 atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } atom: 429 47A-HA A 4.249 ambi=1 { CA:55.251 } ::sumAvg: 4.995 atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } atom: 435 48G-HA2 A 4.077 ambi=2 { CA:46.636 } :: atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } atom: 436 48G-HA3 A 4.006 ambi=2 { CA:46.636 } ::sumAvg: 3.95 atom: 435 48G-HA2 A 4.077 ambi=2 { CA:46.636 } atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } :: atom: 436 48G-HA3 A 4.006 ambi=2 { CA:46.636 } atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } ::sumAvg: 3.95 atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } ::sumAvg: 4.56 atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } ::sumAvg: 4.69 atom: 430 47A-HB B 1.508 ambi=1 { CB:17.587 } atom: 457 51K-H N 7.93 ambi=1 { N:118.185 } ::sumAvg: 4.94 atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 434 48G-H N 8.168 ambi=1 { N:106.088 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 434 48G-H N 8.168 ambi=1 { N:106.088 } ::sumAvg: 4.585 atom: 435 48G-HA2 A 4.077 ambi=2 { CA:46.636 } atom: 440 49Q-HA A 4.639 ambi=1 { CA:54.758 } :: atom: 436 48G-HA3 A 4.006 ambi=2 { CA:46.636 } atom: 440 49Q-HA A 4.639 ambi=1 { CA:54.758 } ::sumAvg: 4.41 atom: 440 49Q-HA A 4.639 ambi=1 { CA:54.758 } atom: 435 48G-HA2 A 4.077 ambi=2 { CA:46.636 } :: atom: 440 49Q-HA A 4.639 ambi=1 { CA:54.758 } atom: 436 48G-HA3 A 4.006 ambi=2 { CA:46.636 } ::sumAvg: 4.41 atom: 435 48G-HA2 A 4.077 ambi=2 { CA:46.636 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 435 48G-HA2 A 4.077 ambi=2 { CA:46.636 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } :: atom: 436 48G-HA3 A 4.006 ambi=2 { CA:46.636 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 436 48G-HA3 A 4.006 ambi=2 { CA:46.636 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } ::sumAvg: 4.975 atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 435 48G-HA2 A 4.077 ambi=2 { CA:46.636 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 435 48G-HA2 A 4.077 ambi=2 { CA:46.636 } :: atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 436 48G-HA3 A 4.006 ambi=2 { CA:46.636 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 436 48G-HA3 A 4.006 ambi=2 { CA:46.636 } ::sumAvg: 4.975 atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } atom: 439 49Q-H N 7.473 ambi=1 { N:116.559 } ::sumAvg: 4.775 atom: 440 49Q-HA A 4.639 ambi=1 { CA:54.758 } atom: 453 50G-HA2 A 4.021 ambi=2 { CA:46.342 } :: atom: 440 49Q-HA A 4.639 ambi=1 { CA:54.758 } atom: 454 50G-HA3 A 3.92 ambi=2 { CA:46.342 } ::sumAvg: 4.47 atom: 453 50G-HA2 A 4.021 ambi=2 { CA:46.342 } atom: 440 49Q-HA A 4.639 ambi=1 { CA:54.758 } :: atom: 454 50G-HA3 A 3.92 ambi=2 { CA:46.342 } atom: 440 49Q-HA A 4.639 ambi=1 { CA:54.758 } ::sumAvg: 4.47 atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 453 50G-HA2 A 4.021 ambi=2 { CA:46.342 } :: atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 454 50G-HA3 A 3.92 ambi=2 { CA:46.342 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 453 50G-HA2 A 4.021 ambi=2 { CA:46.342 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 454 50G-HA3 A 3.92 ambi=2 { CA:46.342 } ::sumAvg: 4.67 atom: 453 50G-HA2 A 4.021 ambi=2 { CA:46.342 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 454 50G-HA3 A 3.92 ambi=2 { CA:46.342 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 453 50G-HA2 A 4.021 ambi=2 { CA:46.342 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } :: atom: 454 50G-HA3 A 3.92 ambi=2 { CA:46.342 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } ::sumAvg: 4.67 atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 457 51K-H N 7.93 ambi=1 { N:118.185 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 457 51K-H N 7.93 ambi=1 { N:118.185 } ::sumAvg: 3.855 atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 459 51K-HB2 B 1.803 ambi=2 { CB:36.653 } :: atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } ::sumAvg: 3.875 atom: 459 51K-HB2 B 1.803 ambi=2 { CB:36.653 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } ::sumAvg: 3.875 atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } ::sumAvg: 4.29 atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } ::sumAvg: 4.29 atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 463 51K-HD2 D 1.514 ambi=2 { CD:28.464 } :: atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 464 51K-HD3 D 1.673 ambi=2 { CD:28.464 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 463 51K-HD2 D 1.514 ambi=2 { CD:28.464 } ::sumAvg: 3.935 atom: 463 51K-HD2 D 1.514 ambi=2 { CD:28.464 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 464 51K-HD3 D 1.673 ambi=2 { CD:28.464 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 463 51K-HD2 D 1.514 ambi=2 { CD:28.464 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } ::sumAvg: 3.935 atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } atom: 466 51K-QE E 2.9675 ambi=2 { CE:42.119 } :: atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } atom: 466 51K-QE E 2.9675 ambi=2 { CE:42.119 } ::sumAvg: 4.475 atom: 466 51K-QE E 2.9675 ambi=2 { CE:42.119 } atom: 441 49Q-HB2 B 2.33 ambi=2 { CB:30.247 } :: atom: 466 51K-QE E 2.9675 ambi=2 { CE:42.119 } atom: 442 49Q-HB3 B 2.046 ambi=2 { CB:30.247 } ::sumAvg: 4.475 atom: 443 49Q-HG2 G 2.537 ambi=2 { CG:34.261 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } :: atom: 444 49Q-HG3 G 2.372 ambi=2 { CG:34.261 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 3.635 atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 443 49Q-HG2 G 2.537 ambi=2 { CG:34.261 } :: atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 444 49Q-HG3 G 2.372 ambi=2 { CG:34.261 } ::sumAvg: 3.635 atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 445 49Q-HE21 E2 7.645 ambi=2 { NE2:110.406 } :: atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 446 49Q-HE22 E2 6.605 ambi=2 { NE2:110.406 } ::sumAvg: 3.42 atom: 458 51K-HA A 4.793 ambi=1 { CA:53.801 } atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } ::sumAvg: 4.935 atom: 459 51K-HB2 B 1.803 ambi=2 { CB:36.653 } atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } :: atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } ::sumAvg: 4.58 atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } ::sumAvg: 3.99 atom: 463 51K-HD2 D 1.514 ambi=2 { CD:28.464 } atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } :: atom: 464 51K-HD3 D 1.673 ambi=2 { CD:28.464 } atom: 452 50G-H N 8.004 ambi=1 { N:109.153 } ::sumAvg: 4.77 atom: 453 50G-HA2 A 4.021 ambi=2 { CA:46.342 } atom: 458 51K-HA A 4.793 ambi=1 { CA:53.801 } :: atom: 454 50G-HA3 A 3.92 ambi=2 { CA:46.342 } atom: 458 51K-HA A 4.793 ambi=1 { CA:53.801 } ::sumAvg: 4.4 atom: 458 51K-HA A 4.793 ambi=1 { CA:53.801 } atom: 453 50G-HA2 A 4.021 ambi=2 { CA:46.342 } :: atom: 458 51K-HA A 4.793 ambi=1 { CA:53.801 } atom: 454 50G-HA3 A 3.92 ambi=2 { CA:46.342 } ::sumAvg: 4.4 atom: 453 50G-HA2 A 4.021 ambi=2 { CA:46.342 } atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } :: atom: 454 50G-HA3 A 3.92 ambi=2 { CA:46.342 } atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } ::sumAvg: 4.535 atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } atom: 453 50G-HA2 A 4.021 ambi=2 { CA:46.342 } :: atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } atom: 454 50G-HA3 A 3.92 ambi=2 { CA:46.342 } ::sumAvg: 4.535 atom: 474 52S-HA A 4.777 ambi=1 { CA:56.065 } atom: 457 51K-H N 7.93 ambi=1 { N:118.185 } ::sumAvg: 4.99 atom: 458 51K-HA A 4.793 ambi=1 { CA:53.801 } atom: 475 52S-HB2 B 3.827 ambi=2 { CB:64.101 } :: atom: 458 51K-HA A 4.793 ambi=1 { CA:53.801 } atom: 476 52S-HB3 B 3.646 ambi=2 { CB:64.101 } ::sumAvg: 4.595 atom: 458 51K-HA A 4.793 ambi=1 { CA:53.801 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 4.315 atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 458 51K-HA A 4.793 ambi=1 { CA:53.801 } ::sumAvg: 4.315 atom: 474 52S-HA A 4.777 ambi=1 { CA:56.065 } atom: 459 51K-HB2 B 1.803 ambi=2 { CB:36.653 } :: atom: 474 52S-HA A 4.777 ambi=1 { CA:56.065 } atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } ::sumAvg: 4.43 atom: 459 51K-HB2 B 1.803 ambi=2 { CB:36.653 } atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } :: atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } ::sumAvg: 4.785 atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } :: atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } ::sumAvg: 4.665 atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } :: atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } ::sumAvg: 4.665 atom: 459 51K-HB2 B 1.803 ambi=2 { CB:36.653 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } :: atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 3.565 atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 459 51K-HB2 B 1.803 ambi=2 { CB:36.653 } :: atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 460 51K-HB3 B 1.437 ambi=2 { CB:36.653 } ::sumAvg: 3.565 atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } ::sumAvg: 4.855 atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } ::sumAvg: 4.855 atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 3.25 atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 462 51K-QG G 1.327 ambi=2 { CG:24.574 } ::sumAvg: 3.25 atom: 463 51K-HD2 D 1.514 ambi=2 { CD:28.464 } atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } :: atom: 464 51K-HD3 D 1.673 ambi=2 { CD:28.464 } atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } ::sumAvg: 4.95 atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 463 51K-HD2 D 1.514 ambi=2 { CD:28.464 } :: atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 464 51K-HD3 D 1.673 ambi=2 { CD:28.464 } ::sumAvg: 4.95 atom: 480 53P-HA A 4.483 ambi=1 { CA:62.949 } atom: 473 52S-H N 8.303 ambi=1 { N:114.683 } ::sumAvg: 4.99 atom: 485 53P-HD2 D 3.861 ambi=2 { CD:50.092 } atom: 473 52S-H N 8.303 ambi=1 { N:114.683 } :: atom: 486 53P-HD3 D 3.751 ambi=2 { CD:50.092 } atom: 473 52S-H N 8.303 ambi=1 { N:114.683 } ::sumAvg: 4.465 atom: 483 53P-HG2 G 2.127 ambi=2 { CG:27.14 } atom: 474 52S-HA A 4.777 ambi=1 { CA:56.065 } :: atom: 484 53P-HG3 G 2.068 ambi=2 { CG:27.14 } atom: 474 52S-HA A 4.777 ambi=1 { CA:56.065 } ::sumAvg: 4.2 atom: 485 53P-HD2 D 3.861 ambi=2 { CD:50.092 } atom: 474 52S-HA A 4.777 ambi=1 { CA:56.065 } :: atom: 486 53P-HD3 D 3.751 ambi=2 { CD:50.092 } atom: 474 52S-HA A 4.777 ambi=1 { CA:56.065 } ::sumAvg: 2.125 atom: 475 52S-HB2 B 3.827 ambi=2 { CB:64.101 } atom: 480 53P-HA A 4.483 ambi=1 { CA:62.949 } :: atom: 476 52S-HB3 B 3.646 ambi=2 { CB:64.101 } atom: 480 53P-HA A 4.483 ambi=1 { CA:62.949 } ::sumAvg: 4.985 atom: 475 52S-HB2 B 3.827 ambi=2 { CB:64.101 } atom: 483 53P-HG2 G 2.127 ambi=2 { CG:27.14 } :: atom: 475 52S-HB2 B 3.827 ambi=2 { CB:64.101 } atom: 484 53P-HG3 G 2.068 ambi=2 { CG:27.14 } :: atom: 476 52S-HB3 B 3.646 ambi=2 { CB:64.101 } atom: 483 53P-HG2 G 2.127 ambi=2 { CG:27.14 } :: atom: 476 52S-HB3 B 3.646 ambi=2 { CB:64.101 } atom: 484 53P-HG3 G 2.068 ambi=2 { CG:27.14 } ::sumAvg: 4.63 atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 480 53P-HA A 4.483 ambi=1 { CA:62.949 } ::sumAvg: 4.225 atom: 480 53P-HA A 4.483 ambi=1 { CA:62.949 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } ::sumAvg: 4.69 atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 480 53P-HA A 4.483 ambi=1 { CA:62.949 } ::sumAvg: 4.69 atom: 480 53P-HA A 4.483 ambi=1 { CA:62.949 } atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } ::sumAvg: 4.825 atom: 480 53P-HA A 4.483 ambi=1 { CA:62.949 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 4.425 atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 480 53P-HA A 4.483 ambi=1 { CA:62.949 } ::sumAvg: 4.425 atom: 481 53P-HB2 B 2.184 ambi=2 { CB:33.281 } atom: 492 54S-HA A 4.64 ambi=1 { CA:57.932 } :: atom: 482 53P-HB3 B 2.087 ambi=2 { CB:33.281 } atom: 492 54S-HA A 4.64 ambi=1 { CA:57.932 } ::sumAvg: 4.57 atom: 492 54S-HA A 4.64 ambi=1 { CA:57.932 } atom: 481 53P-HB2 B 2.184 ambi=2 { CB:33.281 } :: atom: 492 54S-HA A 4.64 ambi=1 { CA:57.932 } atom: 482 53P-HB3 B 2.087 ambi=2 { CB:33.281 } ::sumAvg: 4.57 atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 481 53P-HB2 B 2.184 ambi=2 { CB:33.281 } :: atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 482 53P-HB3 B 2.087 ambi=2 { CB:33.281 } ::sumAvg: 4.835 atom: 499 55G-HA2 A 4.26 ambi=2 { CA:45.066 } atom: 481 53P-HB2 B 2.184 ambi=2 { CB:33.281 } :: atom: 500 55G-HA3 A 4.083 ambi=2 { CA:45.066 } atom: 481 53P-HB2 B 2.184 ambi=2 { CB:33.281 } :: atom: 499 55G-HA2 A 4.26 ambi=2 { CA:45.066 } atom: 482 53P-HB3 B 2.087 ambi=2 { CB:33.281 } :: atom: 500 55G-HA3 A 4.083 ambi=2 { CA:45.066 } atom: 482 53P-HB3 B 2.087 ambi=2 { CB:33.281 } ::sumAvg: 4.855 atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 481 53P-HB2 B 2.184 ambi=2 { CB:33.281 } :: atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 482 53P-HB3 B 2.087 ambi=2 { CB:33.281 } ::sumAvg: 3.31 atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } atom: 481 53P-HB2 B 2.184 ambi=2 { CB:33.281 } :: atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } atom: 482 53P-HB3 B 2.087 ambi=2 { CB:33.281 } ::sumAvg: 4.035 atom: 483 53P-HG2 G 2.127 ambi=2 { CG:27.14 } atom: 498 55G-H N 7.424 ambi=1 { N:108.494 } :: atom: 484 53P-HG3 G 2.068 ambi=2 { CG:27.14 } atom: 498 55G-H N 7.424 ambi=1 { N:108.494 } ::sumAvg: 4.96 atom: 483 53P-HG2 G 2.127 ambi=2 { CG:27.14 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } :: atom: 484 53P-HG3 G 2.068 ambi=2 { CG:27.14 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } ::sumAvg: 4.32 atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 483 53P-HG2 G 2.127 ambi=2 { CG:27.14 } :: atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 484 53P-HG3 G 2.068 ambi=2 { CG:27.14 } ::sumAvg: 4.32 atom: 483 53P-HG2 G 2.127 ambi=2 { CG:27.14 } atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } :: atom: 484 53P-HG3 G 2.068 ambi=2 { CG:27.14 } atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } ::sumAvg: 4.83 atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } atom: 483 53P-HG2 G 2.127 ambi=2 { CG:27.14 } :: atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } atom: 484 53P-HG3 G 2.068 ambi=2 { CG:27.14 } ::sumAvg: 4.83 atom: 499 55G-HA2 A 4.26 ambi=2 { CA:45.066 } atom: 491 54S-H N 9.107 ambi=1 { N:116.685 } :: atom: 500 55G-HA3 A 4.083 ambi=2 { CA:45.066 } atom: 491 54S-H N 9.107 ambi=1 { N:116.685 } ::sumAvg: 4.71 atom: 660 76P-HB2 B 2.197 ambi=2 { CB:31.637 } atom: 491 54S-H N 9.107 ambi=1 { N:116.685 } :: atom: 661 76P-HB3 B 1.901 ambi=2 { CB:31.637 } atom: 491 54S-H N 9.107 ambi=1 { N:116.685 } ::sumAvg: 4.285 atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } atom: 491 54S-H N 9.107 ambi=1 { N:116.685 } ::sumAvg: 2.955 atom: 492 54S-HA A 4.64 ambi=1 { CA:57.932 } atom: 500 55G-HA3 A 4.083 ambi=2 { CA:45.066 } ::sumAvg: 4.47 atom: 500 55G-HA3 A 4.083 ambi=2 { CA:45.066 } atom: 492 54S-HA A 4.64 ambi=1 { CA:57.932 } ::sumAvg: 4.47 atom: 492 54S-HA A 4.64 ambi=1 { CA:57.932 } atom: 685 78E-QG G 2.3175 ambi=2 { CG:36.326 } ::sumAvg: 4.735 atom: 685 78E-QG G 2.3175 ambi=2 { CG:36.326 } atom: 492 54S-HA A 4.64 ambi=1 { CA:57.932 } ::sumAvg: 4.735 atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 499 55G-HA2 A 4.26 ambi=2 { CA:45.066 } ::sumAvg: 4.3 atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 659 76P-HA A 5.241 ambi=1 { CA:62.084 } ::sumAvg: 4.73 atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 660 76P-HB2 B 2.197 ambi=2 { CB:31.637 } :: atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 661 76P-HB3 B 1.901 ambi=2 { CB:31.637 } ::sumAvg: 3.19 atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 662 76P-HG2 G 2.084 ambi=2 { CG:27.14 } :: atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 663 76P-HG3 G 2.072 ambi=2 { CG:27.14 } ::sumAvg: 4.045 atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } ::sumAvg: 3.475 atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } ::sumAvg: 3.935 atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 681 78E-HA A 4.367 ambi=1 { CA:55.698 } ::sumAvg: 3.275 atom: 681 78E-HA A 4.367 ambi=1 { CA:55.698 } atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } ::sumAvg: 3.275 atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } :: atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } ::sumAvg: 4.38 atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } :: atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } ::sumAvg: 4.38 atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } atom: 685 78E-QG G 2.3175 ambi=2 { CG:36.326 } ::sumAvg: 3.905 atom: 685 78E-QG G 2.3175 ambi=2 { CG:36.326 } atom: 493 54S-QB B 3.794 ambi=2 { CB:63.814 } ::sumAvg: 3.905 atom: 660 76P-HB2 B 2.197 ambi=2 { CB:31.637 } atom: 498 55G-H N 7.424 ambi=1 { N:108.494 } :: atom: 661 76P-HB3 B 1.901 ambi=2 { CB:31.637 } atom: 498 55G-H N 7.424 ambi=1 { N:108.494 } ::sumAvg: 4.825 atom: 662 76P-HG2 G 2.084 ambi=2 { CG:27.14 } atom: 498 55G-H N 7.424 ambi=1 { N:108.494 } :: atom: 663 76P-HG3 G 2.072 ambi=2 { CG:27.14 } atom: 498 55G-H N 7.424 ambi=1 { N:108.494 } ::sumAvg: 3.925 atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } atom: 498 55G-H N 7.424 ambi=1 { N:108.494 } :: atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } atom: 498 55G-H N 7.424 ambi=1 { N:108.494 } ::sumAvg: 4.3 atom: 499 55G-HA2 A 4.26 ambi=2 { CA:45.066 } atom: 660 76P-HB2 B 2.197 ambi=2 { CB:31.637 } :: atom: 499 55G-HA2 A 4.26 ambi=2 { CA:45.066 } atom: 661 76P-HB3 B 1.901 ambi=2 { CB:31.637 } :: atom: 500 55G-HA3 A 4.083 ambi=2 { CA:45.066 } atom: 660 76P-HB2 B 2.197 ambi=2 { CB:31.637 } :: atom: 500 55G-HA3 A 4.083 ambi=2 { CA:45.066 } atom: 661 76P-HB3 B 1.901 ambi=2 { CB:31.637 } ::sumAvg: 4.915 atom: 499 55G-HA2 A 4.26 ambi=2 { CA:45.066 } atom: 662 76P-HG2 G 2.084 ambi=2 { CG:27.14 } :: atom: 499 55G-HA2 A 4.26 ambi=2 { CA:45.066 } atom: 663 76P-HG3 G 2.072 ambi=2 { CG:27.14 } :: atom: 500 55G-HA3 A 4.083 ambi=2 { CA:45.066 } atom: 662 76P-HG2 G 2.084 ambi=2 { CG:27.14 } :: atom: 500 55G-HA3 A 4.083 ambi=2 { CA:45.066 } atom: 663 76P-HG3 G 2.072 ambi=2 { CG:27.14 } ::sumAvg: 3.58 atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } atom: 499 55G-HA2 A 4.26 ambi=2 { CA:45.066 } :: atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } atom: 499 55G-HA2 A 4.26 ambi=2 { CA:45.066 } ::sumAvg: 4.04 atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } ::sumAvg: 4.41 atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } ::sumAvg: 4.41 atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } :: atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } ::sumAvg: 4.695 atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } ::sumAvg: 4.695 atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 3.7 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } ::sumAvg: 3.7 atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } ::sumAvg: 4.78 atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } ::sumAvg: 4.78 atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } ::sumAvg: 4.995 atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } ::sumAvg: 4.995 atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 3.255 atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } ::sumAvg: 3.255 atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } :: atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } ::sumAvg: 3.265 atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } :: atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } ::sumAvg: 3.265 atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } ::sumAvg: 3.56 atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } ::sumAvg: 3.56 atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } :: atom: 503 57P-HA A 4.455 ambi=1 { CA:61.998 } atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } ::sumAvg: 3.68 atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } ::sumAvg: 4.095 atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } ::sumAvg: 4.095 atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 4.81 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } ::sumAvg: 4.81 atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 4.6 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } ::sumAvg: 4.6 atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 630 73F-HB2 B 3.167 ambi=2 { CB:37.231 } :: atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 631 73F-HB3 B 3.029 ambi=2 { CB:37.231 } ::sumAvg: 4.285 atom: 630 73F-HB2 B 3.167 ambi=2 { CB:37.231 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } :: atom: 631 73F-HB3 B 3.029 ambi=2 { CB:37.231 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } ::sumAvg: 4.285 atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } ::sumAvg: 4.425 atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } ::sumAvg: 4.425 atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 634 73F-QE E 6.997 ambi=3 { CE1:129.063 } ::sumAvg: 4.55 atom: 634 73F-QE E 6.997 ambi=3 { CE1:129.063 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } ::sumAvg: 4.55 atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 4.34 atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } ::sumAvg: 4.34 atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } ::sumAvg: 3.625 atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } ::sumAvg: 3.285 atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } ::sumAvg: 3.285 atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } ::sumAvg: 4.26 atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } ::sumAvg: 4.26 atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 1196 135Y-HB2 B 3.241 ambi=2 { CB:35.789 } :: atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 1197 135Y-HB3 B 2.727 ambi=2 { CB:35.789 } ::sumAvg: 3.29 atom: 1196 135Y-HB2 B 3.241 ambi=2 { CB:35.789 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } :: atom: 1197 135Y-HB3 B 2.727 ambi=2 { CB:35.789 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } ::sumAvg: 3.29 atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } ::sumAvg: 3.755 atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } atom: 504 57P-QB B 2.05 ambi=2 { CB:31.378 } ::sumAvg: 3.755 atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } ::sumAvg: 4.735 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } ::sumAvg: 4.06 atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } ::sumAvg: 3.43 atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } :: atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } ::sumAvg: 4.29 atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } ::sumAvg: 4.395 atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } :: atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } ::sumAvg: 4.3 atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 508 58F-H N 8.124 ambi=1 { N:111.654 } ::sumAvg: 4.915 atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } ::sumAvg: 4.465 atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } ::sumAvg: 4.465 atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 4.025 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } ::sumAvg: 4.025 atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 4.92 atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } ::sumAvg: 4.92 atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } atom: 1183 134I-HB B 1.253 ambi=1 { CB:40.936 } ::sumAvg: 4.18 atom: 1183 134I-HB B 1.253 ambi=1 { CB:40.936 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } ::sumAvg: 4.18 atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } :: atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } ::sumAvg: 4.06 atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } :: atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } ::sumAvg: 4.06 atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } atom: 1186 134I-HG2 G2 0.761 ambi=1 { CG2:18.398 } ::sumAvg: 3.545 atom: 1186 134I-HG2 G2 0.761 ambi=1 { CG2:18.398 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } ::sumAvg: 3.545 atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } atom: 1187 134I-HD1 D1 0.573 ambi=1 { CD1:13.41 } ::sumAvg: 4.235 atom: 1187 134I-HD1 D1 0.573 ambi=1 { CD1:13.41 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } ::sumAvg: 4.235 atom: 1196 135Y-HB2 B 3.241 ambi=2 { CB:35.789 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } :: atom: 1197 135Y-HB3 B 2.727 ambi=2 { CB:35.789 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } ::sumAvg: 4.735 atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } ::sumAvg: 4.225 atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } atom: 509 58F-HA A 5.566 ambi=1 { CA:54.905 } ::sumAvg: 4.225 atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } ::sumAvg: 4.435 atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } :: atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } ::sumAvg: 4.435 atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 4.785 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } :: atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } ::sumAvg: 4.785 atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } ::sumAvg: 4.82 atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 4.965 atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } :: atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } ::sumAvg: 4.95 atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } :: atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } :: atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } :: atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } ::sumAvg: 4.95 atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } ::sumAvg: 4.635 atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 3.81 atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } ::sumAvg: 4.375 atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } ::sumAvg: 3.39 atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } :: atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } ::sumAvg: 3.39 atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 1183 134I-HB B 1.253 ambi=1 { CB:40.936 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 1183 134I-HB B 1.253 ambi=1 { CB:40.936 } ::sumAvg: 4.575 atom: 1183 134I-HB B 1.253 ambi=1 { CB:40.936 } atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } :: atom: 1183 134I-HB B 1.253 ambi=1 { CB:40.936 } atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } ::sumAvg: 4.575 atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } :: atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } ::sumAvg: 4.195 atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } :: atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } :: atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } :: atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } ::sumAvg: 4.195 atom: 510 58F-HB2 B 3.269 ambi=2 { CB:44.745 } atom: 1194 135Y-H N 8.321 ambi=1 { N:129.141 } :: atom: 511 58F-HB3 B 2.748 ambi=2 { CB:44.745 } atom: 1194 135Y-H N 8.321 ambi=1 { N:129.141 } ::sumAvg: 4.9 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } ::sumAvg: 4.8 atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 4.8 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } ::sumAvg: 4.89 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } ::sumAvg: 4.71 atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 4.71 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } :: atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } ::sumAvg: 4.69 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 4.69 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 3.39 atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 3.39 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } :: atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } ::sumAvg: 4.835 atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } :: atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 4.835 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 662 76P-HG2 G 2.084 ambi=2 { CG:27.14 } :: atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 663 76P-HG3 G 2.072 ambi=2 { CG:27.14 } ::sumAvg: 3.655 atom: 662 76P-HG2 G 2.084 ambi=2 { CG:27.14 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } :: atom: 663 76P-HG3 G 2.072 ambi=2 { CG:27.14 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 3.655 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } :: atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } ::sumAvg: 3.145 atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } :: atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 3.145 atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 4.45 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } ::sumAvg: 3.49 atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 3.49 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 1183 134I-HB B 1.253 ambi=1 { CB:40.936 } ::sumAvg: 4.075 atom: 1183 134I-HB B 1.253 ambi=1 { CB:40.936 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 4.075 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } :: atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } ::sumAvg: 4.39 atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } :: atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 4.39 atom: 1186 134I-HG2 G2 0.761 ambi=1 { CG2:18.398 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 3.74 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 1187 134I-HD1 D1 0.573 ambi=1 { CD1:13.41 } ::sumAvg: 3.835 atom: 1187 134I-HD1 D1 0.573 ambi=1 { CD1:13.41 } atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } ::sumAvg: 3.835 atom: 512 58F-QD D 7.101 ambi=3 { CD1:132.546 } atom: 1194 135Y-H N 8.321 ambi=1 { N:129.141 } ::sumAvg: 4.31 atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 3.54 atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } :: atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } ::sumAvg: 4.765 atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 659 76P-HA A 5.241 ambi=1 { CA:62.084 } ::sumAvg: 4.415 atom: 659 76P-HA A 5.241 ambi=1 { CA:62.084 } atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } ::sumAvg: 4.415 atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 660 76P-HB2 B 2.197 ambi=2 { CB:31.637 } :: atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 661 76P-HB3 B 1.901 ambi=2 { CB:31.637 } ::sumAvg: 3.445 atom: 660 76P-HB2 B 2.197 ambi=2 { CB:31.637 } atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } :: atom: 661 76P-HB3 B 1.901 ambi=2 { CB:31.637 } atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } ::sumAvg: 3.445 atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 662 76P-HG2 G 2.084 ambi=2 { CG:27.14 } :: atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 663 76P-HG3 G 2.072 ambi=2 { CG:27.14 } ::sumAvg: 3.45 atom: 662 76P-HG2 G 2.084 ambi=2 { CG:27.14 } atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } :: atom: 663 76P-HG3 G 2.072 ambi=2 { CG:27.14 } atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } ::sumAvg: 3.45 atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } :: atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } ::sumAvg: 2.89 atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } :: atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } ::sumAvg: 2.89 atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } ::sumAvg: 4.535 atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 1186 134I-HG2 G2 0.761 ambi=1 { CG2:18.398 } ::sumAvg: 4.52 atom: 1186 134I-HG2 G2 0.761 ambi=1 { CG2:18.398 } atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } ::sumAvg: 4.52 atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } atom: 1187 134I-HD1 D1 0.573 ambi=1 { CD1:13.41 } ::sumAvg: 4.74 atom: 1187 134I-HD1 D1 0.573 ambi=1 { CD1:13.41 } atom: 514 58F-QE E 6.902 ambi=3 { CE1:129.888 } ::sumAvg: 4.74 atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } ::sumAvg: 4.785 atom: 629 73F-HA A 4.74 ambi=1 { CA:60.685 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } ::sumAvg: 4.825 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } ::sumAvg: 4.63 atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } ::sumAvg: 4.845 atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } ::sumAvg: 4.45 atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } ::sumAvg: 4.72 atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } :: atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } ::sumAvg: 4.345 atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } ::sumAvg: 4.225 atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } ::sumAvg: 3.235 atom: 1186 134I-HG2 G2 0.761 ambi=1 { CG2:18.398 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } ::sumAvg: 4.375 atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } atom: 521 59A-H N 9.58 ambi=1 { N:124.233 } ::sumAvg: 4.31 atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } ::sumAvg: 4.37 atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } ::sumAvg: 4.37 atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } ::sumAvg: 4.44 atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } ::sumAvg: 4.48 atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } atom: 630 73F-HB2 B 3.167 ambi=2 { CB:37.231 } :: atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } atom: 631 73F-HB3 B 3.029 ambi=2 { CB:37.231 } ::sumAvg: 4.48 atom: 630 73F-HB2 B 3.167 ambi=2 { CB:37.231 } atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } :: atom: 631 73F-HB3 B 3.029 ambi=2 { CB:37.231 } atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } ::sumAvg: 4.48 atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } ::sumAvg: 4.22 atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } ::sumAvg: 4.22 atom: 522 59A-HA A 5.022 ambi=1 { CA:52.573 } atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } ::sumAvg: 4.655 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } ::sumAvg: 4.075 atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 4.075 atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 4.485 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 621 71V-HB B 2.084 ambi=1 { CB:36.359 } ::sumAvg: 4.46 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.73 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 4.73 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } ::sumAvg: 4.81 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 629 73F-HA A 4.74 ambi=1 { CA:60.685 } ::sumAvg: 3.11 atom: 629 73F-HA A 4.74 ambi=1 { CA:60.685 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 3.11 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 630 73F-HB2 B 3.167 ambi=2 { CB:37.231 } :: atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 631 73F-HB3 B 3.029 ambi=2 { CB:37.231 } ::sumAvg: 4.23 atom: 630 73F-HB2 B 3.167 ambi=2 { CB:37.231 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } :: atom: 631 73F-HB3 B 3.029 ambi=2 { CB:37.231 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 4.23 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } ::sumAvg: 4.045 atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 4.045 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 4.6 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 4.6 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } ::sumAvg: 3.135 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 4.715 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 3.215 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } ::sumAvg: 4.72 atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 4.72 atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } atom: 1194 135Y-H N 8.321 ambi=1 { N:129.141 } ::sumAvg: 4.9 atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } atom: 523 59A-HB B 1.413 ambi=1 { CB:24.751 } ::sumAvg: 3.64 atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } ::sumAvg: 4.985 atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } ::sumAvg: 4.85 atom: 629 73F-HA A 4.74 ambi=1 { CA:60.685 } atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } ::sumAvg: 3.465 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 527 60R-H N 9.769 ambi=1 { N:123.535 } ::sumAvg: 4.615 atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } :: atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } ::sumAvg: 4.545 atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } :: atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } ::sumAvg: 4.545 atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } ::sumAvg: 4.37 atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } ::sumAvg: 4.37 atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } ::sumAvg: 4.72 atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } ::sumAvg: 4.795 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } ::sumAvg: 4.505 atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } ::sumAvg: 4.575 atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 2.19 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } ::sumAvg: 2.19 atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } ::sumAvg: 3.19 atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } ::sumAvg: 3.19 atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 3.68 atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 528 60R-HA A 5.462 ambi=1 { CA:54.183 } ::sumAvg: 3.68 atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } ::sumAvg: 4.285 atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } ::sumAvg: 4.285 atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 3.49 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } ::sumAvg: 3.49 atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } ::sumAvg: 3.315 atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } ::sumAvg: 3.315 atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 3.14 atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } ::sumAvg: 3.14 atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } ::sumAvg: 4.375 atom: 529 60R-QB B 1.657 ambi=2 { CB:34.279 } atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } ::sumAvg: 4.68 atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } ::sumAvg: 4.8 atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } ::sumAvg: 4.965 atom: 1143 130E-HA A 5.128 ambi=1 { CA:55.251 } atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } ::sumAvg: 4.755 atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } ::sumAvg: 4.73 atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } ::sumAvg: 4.68 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } ::sumAvg: 3.3 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } ::sumAvg: 3.365 atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 534 61Y-H N 9.403 ambi=1 { N:123.061 } ::sumAvg: 4.41 atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } :: atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } ::sumAvg: 4.43 atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } :: atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } ::sumAvg: 4.43 atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } ::sumAvg: 4.665 atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } ::sumAvg: 4.665 atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } ::sumAvg: 4.75 atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } atom: 602 69F-QE E 7.172 ambi=3 { CE1:132.299 } ::sumAvg: 4.645 atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } atom: 609 70E-H N 8.655 ambi=1 { N:120.157 } ::sumAvg: 4.85 atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } ::sumAvg: 4.94 atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } ::sumAvg: 4.94 atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } ::sumAvg: 3.56 atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } ::sumAvg: 4.8 atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } ::sumAvg: 4.88 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 535 61Y-HA A 5.133 ambi=1 { CA:56.622 } ::sumAvg: 4.88 atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } :: atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } ::sumAvg: 4.69 atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } :: atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } ::sumAvg: 4.69 atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } :: atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } ::sumAvg: 4.41 atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } :: atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } ::sumAvg: 4.41 atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } atom: 602 69F-QE E 7.172 ambi=3 { CE1:132.299 } :: atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } atom: 602 69F-QE E 7.172 ambi=3 { CE1:132.299 } ::sumAvg: 3.895 atom: 602 69F-QE E 7.172 ambi=3 { CE1:132.299 } atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } :: atom: 602 69F-QE E 7.172 ambi=3 { CE1:132.299 } atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } ::sumAvg: 3.895 atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } :: atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } ::sumAvg: 3.845 atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } :: atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } ::sumAvg: 3.845 atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } atom: 621 71V-HB B 2.084 ambi=1 { CB:36.359 } :: atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } atom: 621 71V-HB B 2.084 ambi=1 { CB:36.359 } ::sumAvg: 4.71 atom: 621 71V-HB B 2.084 ambi=1 { CB:36.359 } atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } :: atom: 621 71V-HB B 2.084 ambi=1 { CB:36.359 } atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } ::sumAvg: 4.71 atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } :: atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 2.92 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } :: atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } ::sumAvg: 2.92 atom: 536 61Y-HB2 B 2.896 ambi=2 { CB:41.19 } atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } :: atom: 537 61Y-HB3 B 2.871 ambi=2 { CB:41.19 } atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } ::sumAvg: 4.02 atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } :: atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } ::sumAvg: 4.785 atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } :: atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } ::sumAvg: 4.785 atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } ::sumAvg: 3.465 atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } ::sumAvg: 3.465 atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } ::sumAvg: 4.9 atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } ::sumAvg: 4.23 atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 4.36 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } ::sumAvg: 4.36 atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } ::sumAvg: 4.97 atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } :: atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } ::sumAvg: 4.845 atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } :: atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } atom: 538 61Y-QD D 6.948 ambi=3 { CD1:133.141 } ::sumAvg: 4.845 atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } atom: 540 61Y-QE E 6.64 ambi=3 { CE1:117.81 } ::sumAvg: 4.58 atom: 602 69F-QE E 7.172 ambi=3 { CE1:132.299 } atom: 540 61Y-QE E 6.64 ambi=3 { CE1:117.81 } ::sumAvg: 4.06 atom: 540 61Y-QE E 6.64 ambi=3 { CE1:117.81 } atom: 621 71V-HB B 2.084 ambi=1 { CB:36.359 } ::sumAvg: 4.94 atom: 621 71V-HB B 2.084 ambi=1 { CB:36.359 } atom: 540 61Y-QE E 6.64 ambi=3 { CE1:117.81 } ::sumAvg: 4.94 atom: 540 61Y-QE E 6.64 ambi=3 { CE1:117.81 } atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } ::sumAvg: 4.1 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 540 61Y-QE E 6.64 ambi=3 { CE1:117.81 } ::sumAvg: 4.1 atom: 540 61Y-QE E 6.64 ambi=3 { CE1:117.81 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 4.86 atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } atom: 540 61Y-QE E 6.64 ambi=3 { CE1:117.81 } ::sumAvg: 4.86 atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } atom: 547 62F-H N 8.876 ambi=1 { N:121.534 } ::sumAvg: 4.38 atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 547 62F-H N 8.876 ambi=1 { N:121.534 } ::sumAvg: 3.595 atom: 613 70E-HG2 G 2.264 ambi=2 { CG:36.845 } atom: 547 62F-H N 8.876 ambi=1 { N:121.534 } :: atom: 614 70E-HG3 G 2.091 ambi=2 { CG:36.845 } atom: 547 62F-H N 8.876 ambi=1 { N:121.534 } ::sumAvg: 4.32 atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } atom: 547 62F-H N 8.876 ambi=1 { N:121.534 } ::sumAvg: 3.35 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 547 62F-H N 8.876 ambi=1 { N:121.534 } ::sumAvg: 3.895 atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } :: atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } ::sumAvg: 4.395 atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } :: atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } ::sumAvg: 4.395 atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } atom: 565 64M-H N 8.332 ambi=1 { N:119.204 } ::sumAvg: 4.715 atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } atom: 609 70E-H N 8.655 ambi=1 { N:120.157 } ::sumAvg: 4.86 atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } ::sumAvg: 3.695 atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } ::sumAvg: 3.695 atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } atom: 1146 130E-HG2 G 1.987 ambi=2 { CG:36.307 } :: atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } atom: 1147 130E-HG3 G 1.862 ambi=2 { CG:36.307 } ::sumAvg: 4.66 atom: 1146 130E-HG2 G 1.987 ambi=2 { CG:36.307 } atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } :: atom: 1147 130E-HG3 G 1.862 ambi=2 { CG:36.307 } atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } ::sumAvg: 4.66 atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } ::sumAvg: 3.67 atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } ::sumAvg: 4.965 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 548 62F-HA A 4.87 ambi=1 { CA:56.981 } ::sumAvg: 4.965 atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } :: atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } :: atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } :: atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } ::sumAvg: 4.535 atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } :: atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } :: atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } :: atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } ::sumAvg: 4.535 atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } atom: 609 70E-H N 8.655 ambi=1 { N:120.157 } :: atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } atom: 609 70E-H N 8.655 ambi=1 { N:120.157 } ::sumAvg: 3.79 atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } :: atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } ::sumAvg: 3.355 atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } :: atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } ::sumAvg: 3.355 atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } atom: 613 70E-HG2 G 2.264 ambi=2 { CG:36.845 } :: atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } atom: 614 70E-HG3 G 2.091 ambi=2 { CG:36.845 } :: atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } atom: 613 70E-HG2 G 2.264 ambi=2 { CG:36.845 } :: atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } atom: 614 70E-HG3 G 2.091 ambi=2 { CG:36.845 } ::sumAvg: 4.545 atom: 613 70E-HG2 G 2.264 ambi=2 { CG:36.845 } atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } :: atom: 614 70E-HG3 G 2.091 ambi=2 { CG:36.845 } atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } :: atom: 613 70E-HG2 G 2.264 ambi=2 { CG:36.845 } atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } :: atom: 614 70E-HG3 G 2.091 ambi=2 { CG:36.845 } atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } ::sumAvg: 4.545 atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } atom: 1143 130E-HA A 5.128 ambi=1 { CA:55.251 } :: atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } atom: 1143 130E-HA A 5.128 ambi=1 { CA:55.251 } ::sumAvg: 4.185 atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } :: atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } ::sumAvg: 3.925 atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } :: atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } ::sumAvg: 3.925 atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } atom: 1146 130E-HG2 G 1.987 ambi=2 { CG:36.307 } :: atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } atom: 1147 130E-HG3 G 1.862 ambi=2 { CG:36.307 } :: atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } atom: 1146 130E-HG2 G 1.987 ambi=2 { CG:36.307 } :: atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } atom: 1147 130E-HG3 G 1.862 ambi=2 { CG:36.307 } ::sumAvg: 4.8 atom: 1146 130E-HG2 G 1.987 ambi=2 { CG:36.307 } atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } :: atom: 1147 130E-HG3 G 1.862 ambi=2 { CG:36.307 } atom: 549 62F-HB2 B 3.256 ambi=2 { CB:39.163 } :: atom: 1146 130E-HG2 G 1.987 ambi=2 { CG:36.307 } atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } :: atom: 1147 130E-HG3 G 1.862 ambi=2 { CG:36.307 } atom: 550 62F-HB3 B 3.162 ambi=2 { CB:39.163 } ::sumAvg: 4.8 atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } :: atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } ::sumAvg: 4.6 atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } :: atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } ::sumAvg: 4.6 atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } atom: 609 70E-H N 8.655 ambi=1 { N:120.157 } ::sumAvg: 4.3 atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } ::sumAvg: 3.045 atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } ::sumAvg: 3.045 atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } atom: 613 70E-HG2 G 2.264 ambi=2 { CG:36.845 } :: atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } atom: 614 70E-HG3 G 2.091 ambi=2 { CG:36.845 } ::sumAvg: 3.53 atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } ::sumAvg: 4.99 atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } ::sumAvg: 4.99 atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } atom: 1143 130E-HA A 5.128 ambi=1 { CA:55.251 } ::sumAvg: 3.575 atom: 1143 130E-HA A 5.128 ambi=1 { CA:55.251 } atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } ::sumAvg: 3.575 atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } ::sumAvg: 3.325 atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } ::sumAvg: 3.325 atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } atom: 1146 130E-HG2 G 1.987 ambi=2 { CG:36.307 } :: atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } atom: 1147 130E-HG3 G 1.862 ambi=2 { CG:36.307 } ::sumAvg: 4.405 atom: 1146 130E-HG2 G 1.987 ambi=2 { CG:36.307 } atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } :: atom: 1147 130E-HG3 G 1.862 ambi=2 { CG:36.307 } atom: 551 62F-QD D 7.161 ambi=3 { CD1:131.655 } ::sumAvg: 4.405 atom: 553 62F-QE E 6.989 ambi=3 { CE1:129.096 } atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } ::sumAvg: 4.505 atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 553 62F-QE E 6.989 ambi=3 { CE1:129.096 } ::sumAvg: 4.505 atom: 553 62F-QE E 6.989 ambi=3 { CE1:129.096 } atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } ::sumAvg: 4.45 atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } atom: 553 62F-QE E 6.989 ambi=3 { CE1:129.096 } ::sumAvg: 4.45 atom: 567 64M-HB2 B 1.688 ambi=2 { CB:33.167 } atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } :: atom: 568 64M-HB3 B 1.636 ambi=2 { CB:33.167 } atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } ::sumAvg: 4.97 atom: 571 64M-HE E 1.564 ambi=1 { CE:16.65 } atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } ::sumAvg: 4.735 atom: 1143 130E-HA A 5.128 ambi=1 { CA:55.251 } atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } ::sumAvg: 4.265 atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } atom: 560 63G-H N 8.256 ambi=1 { N:110.214 } ::sumAvg: 4.815 atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } atom: 566 64M-HA A 4.733 ambi=1 { CA:56.635 } :: atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } atom: 566 64M-HA A 4.733 ambi=1 { CA:56.635 } ::sumAvg: 4.49 atom: 566 64M-HA A 4.733 ambi=1 { CA:56.635 } atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } :: atom: 566 64M-HA A 4.733 ambi=1 { CA:56.635 } atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } ::sumAvg: 4.49 atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } atom: 577 65S-H N 7.863 ambi=1 { N:117.577 } :: atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } atom: 577 65S-H N 7.863 ambi=1 { N:117.577 } ::sumAvg: 4.675 atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } atom: 597 69F-HA A 5.093 ambi=1 { CA:55.943 } :: atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } atom: 597 69F-HA A 5.093 ambi=1 { CA:55.943 } ::sumAvg: 3.32 atom: 597 69F-HA A 5.093 ambi=1 { CA:55.943 } atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } :: atom: 597 69F-HA A 5.093 ambi=1 { CA:55.943 } atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } ::sumAvg: 3.32 atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } :: atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } :: atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } :: atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } ::sumAvg: 4.375 atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } :: atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } :: atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } :: atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } ::sumAvg: 4.375 atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } :: atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } ::sumAvg: 4.11 atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } :: atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } ::sumAvg: 4.11 atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } atom: 609 70E-H N 8.655 ambi=1 { N:120.157 } :: atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } atom: 609 70E-H N 8.655 ambi=1 { N:120.157 } ::sumAvg: 3.82 atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } :: atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } ::sumAvg: 4.8 atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 561 63G-HA2 A 4.003 ambi=2 { CA:46.631 } :: atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 562 63G-HA3 A 3.922 ambi=2 { CA:46.631 } ::sumAvg: 4.8 atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } atom: 565 64M-H N 8.332 ambi=1 { N:119.204 } ::sumAvg: 4.92 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 569 64M-HG2 G 2.097 ambi=2 { CG:32.07 } :: atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 570 64M-HG3 G 2.071 ambi=2 { CG:32.07 } ::sumAvg: 4.695 atom: 579 66A-HA A 4.364 ambi=1 { CA:52.743 } atom: 577 65S-H N 7.863 ambi=1 { N:117.577 } ::sumAvg: 4.89 atom: 580 66A-HB B 1.471 ambi=1 { CB:18.805 } atom: 577 65S-H N 7.863 ambi=1 { N:117.577 } ::sumAvg: 4.475 atom: 579 66A-HA A 4.364 ambi=1 { CA:52.743 } atom: 588 68T-H N 7.98 ambi=1 { N:116.033 } ::sumAvg: 4.92 atom: 580 66A-HB B 1.471 ambi=1 { CB:18.805 } atom: 585 67G-QA A 4.059 ambi=2 { CA:45.65 } ::sumAvg: 3.685 atom: 585 67G-QA A 4.059 ambi=2 { CA:45.65 } atom: 580 66A-HB B 1.471 ambi=1 { CB:18.805 } ::sumAvg: 3.685 atom: 580 66A-HB B 1.471 ambi=1 { CB:18.805 } atom: 588 68T-H N 7.98 ambi=1 { N:116.033 } ::sumAvg: 3.9 atom: 585 67G-QA A 4.059 ambi=2 { CA:45.65 } atom: 589 68T-HA A 4.811 ambi=1 { CA:60.959 } ::sumAvg: 4.01 atom: 589 68T-HA A 4.811 ambi=1 { CA:60.959 } atom: 585 67G-QA A 4.059 ambi=2 { CA:45.65 } ::sumAvg: 4.01 atom: 585 67G-QA A 4.059 ambi=2 { CA:45.65 } atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } ::sumAvg: 4.43 atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } atom: 585 67G-QA A 4.059 ambi=2 { CA:45.65 } ::sumAvg: 4.43 atom: 589 68T-HA A 4.811 ambi=1 { CA:60.959 } atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } :: atom: 589 68T-HA A 4.811 ambi=1 { CA:60.959 } atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } ::sumAvg: 4.445 atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } atom: 589 68T-HA A 4.811 ambi=1 { CA:60.959 } :: atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } atom: 589 68T-HA A 4.811 ambi=1 { CA:60.959 } ::sumAvg: 4.445 atom: 589 68T-HA A 4.811 ambi=1 { CA:60.959 } atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } ::sumAvg: 4.505 atom: 600 69F-QD D 7.184 ambi=3 { CD1:132.48 } atom: 589 68T-HA A 4.811 ambi=1 { CA:60.959 } ::sumAvg: 4.505 atom: 590 68T-HB B 3.993 ambi=1 { CB:70.964 } atom: 597 69F-HA A 5.093 ambi=1 { CA:55.943 } ::sumAvg: 4.795 atom: 597 69F-HA A 5.093 ambi=1 { CA:55.943 } atom: 590 68T-HB B 3.993 ambi=1 { CB:70.964 } ::sumAvg: 4.795 atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } atom: 597 69F-HA A 5.093 ambi=1 { CA:55.943 } ::sumAvg: 4.405 atom: 597 69F-HA A 5.093 ambi=1 { CA:55.943 } atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } ::sumAvg: 4.405 atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } :: atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } ::sumAvg: 4.56 atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } :: atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } ::sumAvg: 4.56 atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } ::sumAvg: 4.91 atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } ::sumAvg: 4.91 atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } ::sumAvg: 4.66 atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 591 68T-HG2 G2 1.071 ambi=1 { CG2:21.332 } ::sumAvg: 4.66 atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } atom: 596 69F-H N 8.451 ambi=1 { N:120.703 } ::sumAvg: 4.895 atom: 597 69F-HA A 5.093 ambi=1 { CA:55.943 } atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } ::sumAvg: 4.31 atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 597 69F-HA A 5.093 ambi=1 { CA:55.943 } ::sumAvg: 4.31 atom: 597 69F-HA A 5.093 ambi=1 { CA:55.943 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.725 atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } :: atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } ::sumAvg: 4.74 atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } :: atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } ::sumAvg: 4.74 atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } :: atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 3.75 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 598 69F-HB2 B 3.256 ambi=2 { CB:40.719 } :: atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 599 69F-HB3 B 3.192 ambi=2 { CB:40.719 } ::sumAvg: 3.75 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 609 70E-H N 8.655 ambi=1 { N:120.157 } ::sumAvg: 4.125 atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } ::sumAvg: 4.4 atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } ::sumAvg: 4.4 atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 3.465 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 610 70E-HA A 4.967 ambi=1 { CA:55.77 } ::sumAvg: 3.465 atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } ::sumAvg: 4.345 atom: 620 71V-HA A 5.676 ambi=1 { CA:58.637 } atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } ::sumAvg: 4.345 atom: 611 70E-QB B 1.964 ambi=2 { CB:31.378 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.445 atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } ::sumAvg: 4.89 atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } atom: 622 71V-HG1 G1 0.957 ambi=2 { CG1:22.338 } ::sumAvg: 4.89 atom: 629 73F-HA A 4.74 ambi=1 { CA:60.685 } atom: 627 72E-H N 9.002 ambi=1 { N:124.154 } ::sumAvg: 4.63 atom: 629 73F-HA A 4.74 ambi=1 { CA:60.685 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } ::sumAvg: 4.61 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 630 73F-HB2 B 3.167 ambi=2 { CB:37.231 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 630 73F-HB2 B 3.167 ambi=2 { CB:37.231 } :: atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 631 73F-HB3 B 3.029 ambi=2 { CB:37.231 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 631 73F-HB3 B 3.029 ambi=2 { CB:37.231 } ::sumAvg: 4.795 atom: 630 73F-HB2 B 3.167 ambi=2 { CB:37.231 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } :: atom: 631 73F-HB3 B 3.029 ambi=2 { CB:37.231 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } ::sumAvg: 4.56 atom: 630 73F-HB2 B 3.167 ambi=2 { CB:37.231 } atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } :: atom: 631 73F-HB3 B 3.029 ambi=2 { CB:37.231 } atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } ::sumAvg: 4.675 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 632 73F-QD D 7.112 ambi=3 { CD1:131.556 } ::sumAvg: 4.585 atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 640 74G-H N 8.831 ambi=1 { N:103.935 } ::sumAvg: 4.595 atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 4.355 atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } ::sumAvg: 4.355 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } :: atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } ::sumAvg: 4.765 atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } :: atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } :: atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } :: atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } ::sumAvg: 4.765 atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } :: atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } ::sumAvg: 3.68 atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 641 74G-HA2 A 4.726 ambi=2 { CA:46.082 } :: atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 642 74G-HA3 A 4.001 ambi=2 { CA:46.082 } ::sumAvg: 3.68 atom: 660 76P-HB2 B 2.197 ambi=2 { CB:31.637 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } :: atom: 661 76P-HB3 B 1.901 ambi=2 { CB:31.637 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 4.965 atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } atom: 662 76P-HG2 G 2.084 ambi=2 { CG:27.14 } :: atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } atom: 663 76P-HG3 G 2.072 ambi=2 { CG:27.14 } ::sumAvg: 4.09 atom: 662 76P-HG2 G 2.084 ambi=2 { CG:27.14 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } :: atom: 663 76P-HG3 G 2.072 ambi=2 { CG:27.14 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 4.09 atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } :: atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } ::sumAvg: 2.08 atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } :: atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } atom: 646 75F-HA A 5.081 ambi=1 { CA:54.905 } ::sumAvg: 2.08 atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } atom: 659 76P-HA A 5.241 ambi=1 { CA:62.084 } :: atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } atom: 659 76P-HA A 5.241 ambi=1 { CA:62.084 } ::sumAvg: 4.895 atom: 659 76P-HA A 5.241 ambi=1 { CA:62.084 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } :: atom: 659 76P-HA A 5.241 ambi=1 { CA:62.084 } atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } ::sumAvg: 4.895 atom: 662 76P-HG2 G 2.084 ambi=2 { CG:27.14 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } :: atom: 663 76P-HG3 G 2.072 ambi=2 { CG:27.14 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } ::sumAvg: 4.45 atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } :: atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } :: atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } :: atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } ::sumAvg: 2.585 atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } :: atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } :: atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } :: atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } ::sumAvg: 2.585 atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } :: atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 4.475 atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } :: atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } atom: 647 75F-HB2 B 3.215 ambi=2 { CB:43.487 } :: atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } :: atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } atom: 648 75F-HB3 B 2.423 ambi=2 { CB:43.487 } ::sumAvg: 4.475 atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } :: atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } ::sumAvg: 3.64 atom: 664 76P-HD2 D 3.783 ambi=2 { CD:50.081 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } :: atom: 665 76P-HD3 D 3.767 ambi=2 { CD:50.081 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } ::sumAvg: 3.64 atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } :: atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } atom: 649 75F-QD D 7.316 ambi=3 { CD1:131.482 } ::sumAvg: 4.35 atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 4.99 atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } :: atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } atom: 651 75F-QE E 6.941 ambi=3 { CE1:130.6 } ::sumAvg: 4.99 atom: 659 76P-HA A 5.241 ambi=1 { CA:62.084 } atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } ::sumAvg: 4.385 atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } atom: 659 76P-HA A 5.241 ambi=1 { CA:62.084 } ::sumAvg: 4.385 atom: 660 76P-HB2 B 2.197 ambi=2 { CB:31.637 } atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } :: atom: 661 76P-HB3 B 1.901 ambi=2 { CB:31.637 } atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } ::sumAvg: 4.32 atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } :: atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } ::sumAvg: 4.805 atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } :: atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } ::sumAvg: 4.805 atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } atom: 685 78E-QG G 2.3175 ambi=2 { CG:36.326 } ::sumAvg: 4.825 atom: 685 78E-QG G 2.3175 ambi=2 { CG:36.326 } atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } ::sumAvg: 4.825 atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } atom: 690 79G-H N 8.331 ambi=1 { N:106.634 } ::sumAvg: 4.635 atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 3.89 atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 671 77V-HA A 4.675 ambi=1 { CA:59.922 } ::sumAvg: 3.89 atom: 672 77V-HB B 2.165 ambi=1 { CB:36.481 } atom: 681 78E-HA A 4.367 ambi=1 { CA:55.698 } ::sumAvg: 4.685 atom: 681 78E-HA A 4.367 ambi=1 { CA:55.698 } atom: 672 77V-HB B 2.165 ambi=1 { CB:36.481 } ::sumAvg: 4.685 atom: 672 77V-HB B 2.165 ambi=1 { CB:36.481 } atom: 690 79G-H N 8.331 ambi=1 { N:106.634 } ::sumAvg: 3.215 atom: 672 77V-HB B 2.165 ambi=1 { CB:36.481 } atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } :: atom: 672 77V-HB B 2.165 ambi=1 { CB:36.481 } atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } ::sumAvg: 4.635 atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } atom: 672 77V-HB B 2.165 ambi=1 { CB:36.481 } :: atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } atom: 672 77V-HB B 2.165 ambi=1 { CB:36.481 } ::sumAvg: 4.635 atom: 672 77V-HB B 2.165 ambi=1 { CB:36.481 } atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } ::sumAvg: 4.49 atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } atom: 681 78E-HA A 4.367 ambi=1 { CA:55.698 } :: atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } atom: 681 78E-HA A 4.367 ambi=1 { CA:55.698 } ::sumAvg: 4.295 atom: 681 78E-HA A 4.367 ambi=1 { CA:55.698 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 681 78E-HA A 4.367 ambi=1 { CA:55.698 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 4.295 atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } :: atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 4.775 atom: 685 78E-QG G 2.3175 ambi=2 { CG:36.326 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 685 78E-QG G 2.3175 ambi=2 { CG:36.326 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 4.21 atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } :: atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 4.35 atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } :: atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } ::sumAvg: 3.56 atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } :: atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } ::sumAvg: 4.75 atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 4.75 atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } :: atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } ::sumAvg: 4.77 atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 4.77 atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } :: atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } ::sumAvg: 4.61 atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } atom: 673 77V-HG1 G1 0.904 ambi=2 { CG1:22.981 } :: atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 4.61 atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } ::sumAvg: 3.795 atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } atom: 674 77V-HG2 G2 0.608 ambi=2 { CG2:18.318 } ::sumAvg: 3.795 atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } :: atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } atom: 680 78E-H N 8.152 ambi=1 { N:119.654 } ::sumAvg: 4.75 atom: 681 78E-HA A 4.367 ambi=1 { CA:55.698 } atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } ::sumAvg: 4.61 atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } atom: 681 78E-HA A 4.367 ambi=1 { CA:55.698 } ::sumAvg: 4.61 atom: 681 78E-HA A 4.367 ambi=1 { CA:55.698 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 4.9 atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 681 78E-HA A 4.367 ambi=1 { CA:55.698 } ::sumAvg: 4.9 atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } :: atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } :: atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } :: atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } ::sumAvg: 4.375 atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } :: atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } :: atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } :: atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } ::sumAvg: 4.375 atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } atom: 695 80G-H N 8.468 ambi=1 { N:109.606 } :: atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } atom: 695 80G-H N 8.468 ambi=1 { N:109.606 } ::sumAvg: 4.92 atom: 682 78E-HB2 B 2.079 ambi=2 { CB:31.089 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } :: atom: 683 78E-HB3 B 1.932 ambi=2 { CB:31.089 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 3.92 atom: 685 78E-QG G 2.3175 ambi=2 { CG:36.326 } atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } :: atom: 685 78E-QG G 2.3175 ambi=2 { CG:36.326 } atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } ::sumAvg: 4.415 atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } atom: 685 78E-QG G 2.3175 ambi=2 { CG:36.326 } :: atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } atom: 685 78E-QG G 2.3175 ambi=2 { CG:36.326 } ::sumAvg: 4.415 atom: 685 78E-QG G 2.3175 ambi=2 { CG:36.326 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 4.19 atom: 702 81V-HB B 1.921 ambi=1 { CB:32.856 } atom: 690 79G-H N 8.331 ambi=1 { N:106.634 } ::sumAvg: 4.74 atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } :: atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } ::sumAvg: 3.945 atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } :: atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 3.865 atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 691 79G-HA2 A 3.968 ambi=2 { CA:45.409 } :: atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 692 79G-HA3 A 3.821 ambi=2 { CA:45.409 } ::sumAvg: 3.865 atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 695 80G-H N 8.468 ambi=1 { N:109.606 } ::sumAvg: 4.93 atom: 702 81V-HB B 1.921 ambi=1 { CB:32.856 } atom: 695 80G-H N 8.468 ambi=1 { N:109.606 } ::sumAvg: 4.985 atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 695 80G-H N 8.468 ambi=1 { N:109.606 } ::sumAvg: 3.325 atom: 696 80G-HA2 A 4.047 ambi=2 { CA:45.65 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } :: atom: 697 80G-HA3 A 3.76 ambi=2 { CA:45.65 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 3.895 atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } atom: 700 81V-H N 7.447 ambi=1 { N:118.549 } ::sumAvg: 4.675 atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 712 82E-HB2 B 2.125 ambi=2 { CB:32.416 } :: atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 713 82E-HB3 B 1.846 ambi=2 { CB:32.416 } ::sumAvg: 4.29 atom: 712 82E-HB2 B 2.125 ambi=2 { CB:32.416 } atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } :: atom: 713 82E-HB3 B 1.846 ambi=2 { CB:32.416 } atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } ::sumAvg: 4.29 atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 714 82E-HG2 G 2.333 ambi=2 { CG:36.01 } :: atom: 701 81V-HA A 4.146 ambi=1 { CA:61.652 } atom: 715 82E-HG3 G 2.251 ambi=2 { CG:36.01 } ::sumAvg: 4.855 atom: 702 81V-HB B 1.921 ambi=1 { CB:32.856 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } ::sumAvg: 4.06 atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } atom: 702 81V-HB B 1.921 ambi=1 { CB:32.856 } ::sumAvg: 4.06 atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 711 82E-HA A 4.501 ambi=1 { CA:55.078 } ::sumAvg: 3.79 atom: 711 82E-HA A 4.501 ambi=1 { CA:55.078 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 3.79 atom: 714 82E-HG2 G 2.333 ambi=2 { CG:36.01 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } :: atom: 715 82E-HG3 G 2.251 ambi=2 { CG:36.01 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 4.465 atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } :: atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } ::sumAvg: 4.555 atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } :: atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 4.555 atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } atom: 703 81V-QG G 0.805 ambi=2 { QCG:21.3015 } ::sumAvg: 4.04 atom: 711 82E-HA A 4.501 ambi=1 { CA:55.078 } atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } :: atom: 711 82E-HA A 4.501 ambi=1 { CA:55.078 } atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } ::sumAvg: 4.37 atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } atom: 711 82E-HA A 4.501 ambi=1 { CA:55.078 } :: atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } atom: 711 82E-HA A 4.501 ambi=1 { CA:55.078 } ::sumAvg: 4.37 atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } atom: 712 82E-HB2 B 2.125 ambi=2 { CB:32.416 } :: atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } atom: 712 82E-HB2 B 2.125 ambi=2 { CB:32.416 } :: atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } atom: 713 82E-HB3 B 1.846 ambi=2 { CB:32.416 } :: atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } atom: 713 82E-HB3 B 1.846 ambi=2 { CB:32.416 } ::sumAvg: 4.665 atom: 712 82E-HB2 B 2.125 ambi=2 { CB:32.416 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } :: atom: 713 82E-HB3 B 1.846 ambi=2 { CB:32.416 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } ::sumAvg: 4.25 atom: 714 82E-HG2 G 2.333 ambi=2 { CG:36.01 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } :: atom: 715 82E-HG3 G 2.251 ambi=2 { CG:36.01 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } ::sumAvg: 4.715 atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } atom: 714 82E-HG2 G 2.333 ambi=2 { CG:36.01 } :: atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } atom: 715 82E-HG3 G 2.251 ambi=2 { CG:36.01 } ::sumAvg: 4.715 atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } atom: 720 83G-H N 8.344 ambi=1 { N:106.54 } ::sumAvg: 4.6 atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } atom: 726 84S-HA A 4.383 ambi=1 { CA:58.797 } ::sumAvg: 4.35 atom: 726 84S-HA A 4.383 ambi=1 { CA:58.797 } atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } ::sumAvg: 4.35 atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } ::sumAvg: 4.245 atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } ::sumAvg: 4.245 atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } :: atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } ::sumAvg: 4.645 atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } :: atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } ::sumAvg: 4.26 atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } :: atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } ::sumAvg: 4.26 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } :: atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } ::sumAvg: 3.205 atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } :: atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } ::sumAvg: 2.845 atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } :: atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } ::sumAvg: 2.845 atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } atom: 762 88V-HB B 2.282 ambi=1 { CB:34.766 } :: atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } atom: 762 88V-HB B 2.282 ambi=1 { CB:34.766 } ::sumAvg: 4.455 atom: 762 88V-HB B 2.282 ambi=1 { CB:34.766 } atom: 721 83G-HA2 A 4.037 ambi=2 { CA:43.535 } :: atom: 762 88V-HB B 2.282 ambi=1 { CB:34.766 } atom: 722 83G-HA3 A 3.675 ambi=2 { CA:43.535 } ::sumAvg: 4.455 atom: 733 85G-HA2 A 4.016 ambi=2 { CA:46.861 } atom: 725 84S-H N 8.058 ambi=1 { N:112.042 } :: atom: 734 85G-HA3 A 3.695 ambi=2 { CA:46.861 } atom: 725 84S-H N 8.058 ambi=1 { N:112.042 } ::sumAvg: 4.985 atom: 726 84S-HA A 4.383 ambi=1 { CA:58.797 } atom: 734 85G-HA3 A 3.695 ambi=2 { CA:46.861 } ::sumAvg: 4.425 atom: 734 85G-HA3 A 3.695 ambi=2 { CA:46.861 } atom: 726 84S-HA A 4.383 ambi=1 { CA:58.797 } ::sumAvg: 4.425 atom: 726 84S-HA A 4.383 ambi=1 { CA:58.797 } atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } ::sumAvg: 4.85 atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } atom: 733 85G-HA2 A 4.016 ambi=2 { CA:46.861 } ::sumAvg: 4.5 atom: 733 85G-HA2 A 4.016 ambi=2 { CA:46.861 } atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } ::sumAvg: 4.5 atom: 727 84S-HB2 B 3.944 ambi=2 { CB:64.247 } atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } :: atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } ::sumAvg: 4.715 atom: 727 84S-HB2 B 3.944 ambi=2 { CB:64.247 } atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } :: atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } ::sumAvg: 4.335 atom: 727 84S-HB2 B 3.944 ambi=2 { CB:64.247 } atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } :: atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } ::sumAvg: 4.01 atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } atom: 727 84S-HB2 B 3.944 ambi=2 { CB:64.247 } :: atom: 752 87V-HB B 2.227 ambi=1 { CB:30.945 } atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } ::sumAvg: 4.01 atom: 727 84S-HB2 B 3.944 ambi=2 { CB:64.247 } atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } :: atom: 727 84S-HB2 B 3.944 ambi=2 { CB:64.247 } atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } :: atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } :: atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } ::sumAvg: 4.46 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 727 84S-HB2 B 3.944 ambi=2 { CB:64.247 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 727 84S-HB2 B 3.944 ambi=2 { CB:64.247 } :: atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 728 84S-HB3 B 3.584 ambi=2 { CB:64.247 } ::sumAvg: 4.46 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } ::sumAvg: 4.785 atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } :: atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } atom: 732 85G-H N 9.089 ambi=1 { N:118.203 } ::sumAvg: 4.32 atom: 734 85G-HA3 A 3.695 ambi=2 { CA:46.861 } atom: 738 86R-HA A 4.356 ambi=1 { CA:56.462 } ::sumAvg: 4.46 atom: 738 86R-HA A 4.356 ambi=1 { CA:56.462 } atom: 734 85G-HA3 A 3.695 ambi=2 { CA:46.861 } ::sumAvg: 4.46 atom: 733 85G-HA2 A 4.016 ambi=2 { CA:46.861 } atom: 739 86R-HB2 B 2.112 ambi=2 { CB:29.734 } :: atom: 733 85G-HA2 A 4.016 ambi=2 { CA:46.861 } atom: 740 86R-HB3 B 1.835 ambi=2 { CB:29.734 } :: atom: 734 85G-HA3 A 3.695 ambi=2 { CA:46.861 } atom: 739 86R-HB2 B 2.112 ambi=2 { CB:29.734 } :: atom: 734 85G-HA3 A 3.695 ambi=2 { CA:46.861 } atom: 740 86R-HB3 B 1.835 ambi=2 { CB:29.734 } ::sumAvg: 4.51 atom: 739 86R-HB2 B 2.112 ambi=2 { CB:29.734 } atom: 733 85G-HA2 A 4.016 ambi=2 { CA:46.861 } :: atom: 740 86R-HB3 B 1.835 ambi=2 { CB:29.734 } atom: 733 85G-HA2 A 4.016 ambi=2 { CA:46.861 } :: atom: 739 86R-HB2 B 2.112 ambi=2 { CB:29.734 } atom: 734 85G-HA3 A 3.695 ambi=2 { CA:46.861 } :: atom: 740 86R-HB3 B 1.835 ambi=2 { CB:29.734 } atom: 734 85G-HA3 A 3.695 ambi=2 { CA:46.861 } ::sumAvg: 4.51 atom: 733 85G-HA2 A 4.016 ambi=2 { CA:46.861 } atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } :: atom: 734 85G-HA3 A 3.695 ambi=2 { CA:46.861 } atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } ::sumAvg: 4.73 atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } atom: 733 85G-HA2 A 4.016 ambi=2 { CA:46.861 } :: atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } atom: 734 85G-HA3 A 3.695 ambi=2 { CA:46.861 } ::sumAvg: 4.73 atom: 733 85G-HA2 A 4.016 ambi=2 { CA:46.861 } atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } :: atom: 734 85G-HA3 A 3.695 ambi=2 { CA:46.861 } atom: 750 87V-H N 7.881 ambi=1 { N:121.092 } ::sumAvg: 4.14 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } ::sumAvg: 4.105 atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } :: atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } atom: 737 86R-H N 8.856 ambi=1 { N:125.141 } ::sumAvg: 4.575 atom: 738 86R-HA A 4.356 ambi=1 { CA:56.462 } atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } :: atom: 738 86R-HA A 4.356 ambi=1 { CA:56.462 } atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } ::sumAvg: 4.87 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 738 86R-HA A 4.356 ambi=1 { CA:56.462 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 738 86R-HA A 4.356 ambi=1 { CA:56.462 } ::sumAvg: 4.87 atom: 738 86R-HA A 4.356 ambi=1 { CA:56.462 } atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } :: atom: 738 86R-HA A 4.356 ambi=1 { CA:56.462 } atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } ::sumAvg: 4.13 atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } atom: 738 86R-HA A 4.356 ambi=1 { CA:56.462 } :: atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } atom: 738 86R-HA A 4.356 ambi=1 { CA:56.462 } ::sumAvg: 4.13 atom: 751 87V-HA A 4.303 ambi=1 { CA:61.738 } atom: 739 86R-HB2 B 2.112 ambi=2 { CB:29.734 } :: atom: 751 87V-HA A 4.303 ambi=1 { CA:61.738 } atom: 740 86R-HB3 B 1.835 ambi=2 { CB:29.734 } ::sumAvg: 4.45 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 739 86R-HB2 B 2.112 ambi=2 { CB:29.734 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 739 86R-HB2 B 2.112 ambi=2 { CB:29.734 } :: atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 740 86R-HB3 B 1.835 ambi=2 { CB:29.734 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 740 86R-HB3 B 1.835 ambi=2 { CB:29.734 } ::sumAvg: 4.01 atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } atom: 751 87V-HA A 4.303 ambi=1 { CA:61.738 } ::sumAvg: 4.77 atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } :: atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } ::sumAvg: 3.52 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 742 86R-QG G 1.4025 ambi=2 { CG:25.852 } ::sumAvg: 3.52 atom: 743 86R-HD2 D 3.212 ambi=2 { CD:43.1 } atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } :: atom: 743 86R-HD2 D 3.212 ambi=2 { CD:43.1 } atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } :: atom: 744 86R-HD3 D 3.129 ambi=2 { CD:43.1 } atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } :: atom: 744 86R-HD3 D 3.129 ambi=2 { CD:43.1 } atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } ::sumAvg: 4.63 atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 743 86R-HD2 D 3.212 ambi=2 { CD:43.1 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 743 86R-HD2 D 3.212 ambi=2 { CD:43.1 } :: atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } atom: 744 86R-HD3 D 3.129 ambi=2 { CD:43.1 } :: atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } atom: 744 86R-HD3 D 3.129 ambi=2 { CD:43.1 } ::sumAvg: 4.63 atom: 751 87V-HA A 4.303 ambi=1 { CA:61.738 } atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } ::sumAvg: 4.4 atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } atom: 751 87V-HA A 4.303 ambi=1 { CA:61.738 } ::sumAvg: 4.4 atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 753 87V-HG1 G1 0.879 ambi=2 { CG1:20.809 } :: atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 754 87V-HG2 G2 0.841 ambi=2 { CG2:20.845 } ::sumAvg: 4.87 atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 760 88V-H N 9.427 ambi=1 { N:122.572 } ::sumAvg: 4.945 atom: 761 88V-HA A 4.848 ambi=1 { CA:58.508 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } ::sumAvg: 4.435 atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 762 88V-HB B 2.282 ambi=1 { CB:34.766 } ::sumAvg: 4.51 atom: 762 88V-HB B 2.282 ambi=1 { CB:34.766 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } ::sumAvg: 4.555 atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } atom: 762 88V-HB B 2.282 ambi=1 { CB:34.766 } ::sumAvg: 4.555 atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 763 88V-HG1 G1 0.89 ambi=2 { CG1:20.793 } :: atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } ::sumAvg: 4.035 atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } atom: 764 88V-HG2 G2 0.748 ambi=2 { CG2:18.349 } ::sumAvg: 4.795 atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 779 90G-HA2 A 4.238 ambi=2 { CA:45.404 } :: atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } ::sumAvg: 4.3 atom: 779 90G-HA2 A 4.238 ambi=2 { CA:45.404 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } :: atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } atom: 771 89T-HA A 4.842 ambi=1 { CA:60.441 } ::sumAvg: 4.3 atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } ::sumAvg: 4.795 atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } atom: 772 89T-HB B 4.42 ambi=1 { CB:69.869 } ::sumAvg: 4.795 atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } atom: 779 90G-HA2 A 4.238 ambi=2 { CA:45.404 } :: atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } ::sumAvg: 4.325 atom: 779 90G-HA2 A 4.238 ambi=2 { CA:45.404 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } :: atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } atom: 773 89T-HG2 G2 1.248 ambi=1 { CG2:22.16 } ::sumAvg: 4.325 atom: 784 91L-HA A 5.283 ambi=1 { CA:53.089 } atom: 778 90G-H N 8.236 ambi=1 { N:109.322 } ::sumAvg: 4.58 atom: 779 90G-HA2 A 4.238 ambi=2 { CA:45.404 } atom: 784 91L-HA A 5.283 ambi=1 { CA:53.089 } :: atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } atom: 784 91L-HA A 5.283 ambi=1 { CA:53.089 } ::sumAvg: 4.34 atom: 784 91L-HA A 5.283 ambi=1 { CA:53.089 } atom: 779 90G-HA2 A 4.238 ambi=2 { CA:45.404 } :: atom: 784 91L-HA A 5.283 ambi=1 { CA:53.089 } atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } ::sumAvg: 4.34 atom: 779 90G-HA2 A 4.238 ambi=2 { CA:45.404 } atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } :: atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } ::sumAvg: 4.24 atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } atom: 779 90G-HA2 A 4.238 ambi=2 { CA:45.404 } :: atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } ::sumAvg: 4.24 atom: 779 90G-HA2 A 4.238 ambi=2 { CA:45.404 } atom: 788 91L-HD1 D1 0.753 ambi=2 { CD1:22.016 } :: atom: 779 90G-HA2 A 4.238 ambi=2 { CA:45.404 } atom: 789 91L-HD2 D2 0.693 ambi=2 { CD2:23.122 } :: atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } atom: 788 91L-HD1 D1 0.753 ambi=2 { CD1:22.016 } :: atom: 780 90G-HA3 A 3.783 ambi=2 { CA:45.404 } atom: 789 91L-HD2 D2 0.693 ambi=2 { CD2:23.122 } ::sumAvg: 4.235 atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } atom: 804 93P-QD D 3.635 ambi=2 { CD:49.981 } ::sumAvg: 4.355 atom: 804 93P-QD D 3.635 ambi=2 { CD:49.981 } atom: 786 91L-QB B 1.46 ambi=2 { CB:46.836 } ::sumAvg: 4.355 atom: 788 91L-HD1 D1 0.753 ambi=2 { CD1:22.016 } atom: 798 93P-HA A 3.903 ambi=1 { CA:63.555 } :: atom: 789 91L-HD2 D2 0.693 ambi=2 { CD2:23.122 } atom: 798 93P-HA A 3.903 ambi=1 { CA:63.555 } ::sumAvg: 4.85 atom: 798 93P-HA A 3.903 ambi=1 { CA:63.555 } atom: 788 91L-HD1 D1 0.753 ambi=2 { CD1:22.016 } :: atom: 798 93P-HA A 3.903 ambi=1 { CA:63.555 } atom: 789 91L-HD2 D2 0.693 ambi=2 { CD2:23.122 } ::sumAvg: 4.85 atom: 804 93P-QD D 3.635 ambi=2 { CD:49.981 } atom: 796 92T-H N 8.45 ambi=1 { N:111.353 } ::sumAvg: 4.04 atom: 798 93P-HA A 3.903 ambi=1 { CA:63.555 } atom: 810 94S-HA A 4.502 ambi=1 { CA:55.251 } ::sumAvg: 4.455 atom: 810 94S-HA A 4.502 ambi=1 { CA:55.251 } atom: 798 93P-HA A 3.903 ambi=1 { CA:63.555 } ::sumAvg: 4.455 atom: 798 93P-HA A 3.903 ambi=1 { CA:63.555 } atom: 812 94S-HB3 B 3.412 ambi=2 { CB:65.804 } ::sumAvg: 4.515 atom: 812 94S-HB3 B 3.412 ambi=2 { CB:65.804 } atom: 798 93P-HA A 3.903 ambi=1 { CA:63.555 } ::sumAvg: 4.515 atom: 810 94S-HA A 4.502 ambi=1 { CA:55.251 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } ::sumAvg: 4.345 atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 811 94S-HB2 B 3.59 ambi=2 { CB:65.804 } :: atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 812 94S-HB3 B 3.412 ambi=2 { CB:65.804 } ::sumAvg: 4.35 atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } atom: 816 95G-H N 8.181 ambi=1 { N:109.438 } ::sumAvg: 4.7 atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } ::sumAvg: 4.34 atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } :: atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } ::sumAvg: 4.62 atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } :: atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } :: atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } :: atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } ::sumAvg: 4.62 atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 825 96K-HG2 G 1.549 ambi=2 { CG:25.823 } :: atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 826 96K-HG3 G 1.277 ambi=2 { CG:25.823 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 825 96K-HG2 G 1.549 ambi=2 { CG:25.823 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 826 96K-HG3 G 1.277 ambi=2 { CG:25.823 } ::sumAvg: 4.815 atom: 825 96K-HG2 G 1.549 ambi=2 { CG:25.823 } atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } :: atom: 826 96K-HG3 G 1.277 ambi=2 { CG:25.823 } atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } :: atom: 825 96K-HG2 G 1.549 ambi=2 { CG:25.823 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } :: atom: 826 96K-HG3 G 1.277 ambi=2 { CG:25.823 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } ::sumAvg: 4.815 atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 828 96K-QD D 1.5505 ambi=2 { CD:28.78 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 828 96K-QD D 1.5505 ambi=2 { CD:28.78 } ::sumAvg: 4.155 atom: 828 96K-QD D 1.5505 ambi=2 { CD:28.78 } atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } :: atom: 828 96K-QD D 1.5505 ambi=2 { CD:28.78 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } ::sumAvg: 4.155 atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } atom: 829 96K-QE E 2.9305 ambi=2 { CE:41.78 } :: atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } atom: 829 96K-QE E 2.9305 ambi=2 { CE:41.78 } ::sumAvg: 4.665 atom: 829 96K-QE E 2.9305 ambi=2 { CE:41.78 } atom: 817 95G-HA2 A 4.548 ambi=2 { CA:43.639 } :: atom: 829 96K-QE E 2.9305 ambi=2 { CE:41.78 } atom: 818 95G-HA3 A 3.787 ambi=2 { CA:43.639 } ::sumAvg: 4.665 atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } atom: 821 96K-H N 8.55 ambi=1 { N:120.135 } ::sumAvg: 4.61 atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } ::sumAvg: 3.91 atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } atom: 822 96K-HA A 4.79 ambi=1 { CA:56.116 } ::sumAvg: 3.91 atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } atom: 838 97A-HA A 5.024 ambi=1 { CA:50.753 } :: atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } atom: 838 97A-HA A 5.024 ambi=1 { CA:50.753 } ::sumAvg: 4.295 atom: 838 97A-HA A 5.024 ambi=1 { CA:50.753 } atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } :: atom: 838 97A-HA A 5.024 ambi=1 { CA:50.753 } atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } ::sumAvg: 4.295 atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } ::sumAvg: 4.825 atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } ::sumAvg: 4.825 atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 823 96K-HB2 B 1.664 ambi=2 { CB:34.631 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } :: atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 824 96K-HB3 B 1.497 ambi=2 { CB:34.631 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.41 atom: 828 96K-QD D 1.5505 ambi=2 { CD:28.78 } atom: 838 97A-HA A 5.024 ambi=1 { CA:50.753 } ::sumAvg: 4.78 atom: 838 97A-HA A 5.024 ambi=1 { CA:50.753 } atom: 828 96K-QD D 1.5505 ambi=2 { CD:28.78 } ::sumAvg: 4.78 atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } ::sumAvg: 4.73 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 837 97A-H N 8.962 ambi=1 { N:122.61 } ::sumAvg: 4.64 atom: 838 97A-HA A 5.024 ambi=1 { CA:50.753 } atom: 1383 155L-HB2 B 1.567 ambi=2 { CB:42.795 } :: atom: 838 97A-HA A 5.024 ambi=1 { CA:50.753 } atom: 1384 155L-HB3 B 1.463 ambi=2 { CB:42.795 } ::sumAvg: 4.65 atom: 1383 155L-HB2 B 1.567 ambi=2 { CB:42.795 } atom: 838 97A-HA A 5.024 ambi=1 { CA:50.753 } :: atom: 1384 155L-HB3 B 1.463 ambi=2 { CB:42.795 } atom: 838 97A-HA A 5.024 ambi=1 { CA:50.753 } ::sumAvg: 4.65 atom: 838 97A-HA A 5.024 ambi=1 { CA:50.753 } atom: 1385 155L-HG G 1.541 ambi=1 { CG:26.77 } ::sumAvg: 4.305 atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } atom: 849 99S-H N 9.091 ambi=1 { N:118.558 } ::sumAvg: 4.8 atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } ::sumAvg: 4.965 atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } ::sumAvg: 4.96 atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } ::sumAvg: 4.96 atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } ::sumAvg: 4.99 atom: 1370 154M-HA A 4.727 ambi=1 { CA:54.569 } atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } ::sumAvg: 4.135 atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } atom: 1381 155L-H N 8.608 ambi=1 { N:122.078 } ::sumAvg: 4.265 atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 3.835 atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 839 97A-HB B 1.176 ambi=1 { CB:23.939 } ::sumAvg: 3.835 atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } atom: 843 98A-H N 8.471 ambi=1 { N:123.489 } :: atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } atom: 843 98A-H N 8.471 ambi=1 { N:123.489 } ::sumAvg: 4.965 atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } atom: 843 98A-H N 8.471 ambi=1 { N:123.489 } ::sumAvg: 4.65 atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } ::sumAvg: 4.39 atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } ::sumAvg: 4.39 atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.25 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } ::sumAvg: 4.25 atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.28 atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } ::sumAvg: 4.28 atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } ::sumAvg: 4.695 atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } ::sumAvg: 4.695 atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } ::sumAvg: 4.875 atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } ::sumAvg: 4.875 atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } atom: 1362 153L-H N 9.429 ambi=1 { N:123.639 } ::sumAvg: 4.925 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 844 98A-HA A 4.685 ambi=1 { CA:50.58 } ::sumAvg: 4.185 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } ::sumAvg: 4.155 atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 4.155 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.765 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 4.765 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 999 116L-HA A 4.228 ambi=1 { CA:57.932 } ::sumAvg: 4.45 atom: 999 116L-HA A 4.228 ambi=1 { CA:57.932 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 4.45 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } ::sumAvg: 4.36 atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 4.36 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } ::sumAvg: 4.055 atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 4.055 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 1044 119W-HE1 E1 10.18 ambi=1 { NE1:130.292 } ::sumAvg: 4.715 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } ::sumAvg: 4.3 atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 4.3 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 1048 119W-HH2 H2 7.111 ambi=1 { CH2:123.806 } ::sumAvg: 4.305 atom: 1048 119W-HH2 H2 7.111 ambi=1 { CH2:123.806 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 4.305 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } ::sumAvg: 4.995 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } ::sumAvg: 4.375 atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 4.375 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 1381 155L-H N 8.608 ambi=1 { N:122.078 } ::sumAvg: 4.2 atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } ::sumAvg: 3.795 atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } atom: 845 98A-HB B 1.352 ambi=1 { CB:21.178 } ::sumAvg: 3.795 atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } ::sumAvg: 4.44 atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } ::sumAvg: 4.44 atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } ::sumAvg: 4.6 atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } :: atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } ::sumAvg: 4.6 atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } ::sumAvg: 4.74 atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.085 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 850 99S-HA A 5.692 ambi=1 { CA:56.289 } ::sumAvg: 4.085 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } ::sumAvg: 4.22 atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.22 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.78 atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.78 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } ::sumAvg: 4.96 atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.96 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } ::sumAvg: 3.91 atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 3.91 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } ::sumAvg: 3.765 atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 3.765 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } ::sumAvg: 4.95 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.895 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 4.895 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } ::sumAvg: 4.75 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } :: atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } ::sumAvg: 3.135 atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } :: atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } ::sumAvg: 3.135 atom: 851 99S-QB B 3.256 ambi=2 { CB:66.409 } atom: 1362 153L-H N 9.429 ambi=1 { N:123.639 } ::sumAvg: 4.82 atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } ::sumAvg: 4.76 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } ::sumAvg: 4.43 atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } ::sumAvg: 4.76 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 856 100S-H N 8.962 ambi=1 { N:120.075 } ::sumAvg: 2.795 atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 865 101L-HB2 B 1.901 ambi=2 { CB:42.884 } :: atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 866 101L-HB3 B 1.311 ambi=2 { CB:42.884 } ::sumAvg: 4.565 atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 868 101L-HD1 D1 0.821 ambi=2 { CD1:24.73 } :: atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 869 101L-HD2 D2 0.774 ambi=2 { CD2:23.839 } ::sumAvg: 4.22 atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.755 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } ::sumAvg: 4.755 atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.18 atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.51 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 857 100S-HA A 4.624 ambi=1 { CA:57.759 } ::sumAvg: 4.51 atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } ::sumAvg: 4.74 atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } :: atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } ::sumAvg: 4.45 atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } ::sumAvg: 4.45 atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } :: atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } ::sumAvg: 4.73 atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } ::sumAvg: 4.73 atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } :: atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } ::sumAvg: 4.17 atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 1002 116L-HG G 1.508 ambi=1 { CG:26.77 } :: atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } atom: 1002 116L-HG G 1.508 ambi=1 { CG:26.77 } ::sumAvg: 3.85 atom: 1002 116L-HG G 1.508 ambi=1 { CG:26.77 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 1002 116L-HG G 1.508 ambi=1 { CG:26.77 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } ::sumAvg: 3.85 atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } :: atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } ::sumAvg: 4.535 atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } :: atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 2.97 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 858 100S-HB2 B 3.632 ambi=2 { CB:66.15 } :: atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 859 100S-HB3 B 3.028 ambi=2 { CB:66.15 } ::sumAvg: 2.97 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 863 101L-H N 8.596 ambi=1 { N:127.641 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 863 101L-H N 8.596 ambi=1 { N:127.641 } ::sumAvg: 4.615 atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } atom: 863 101L-H N 8.596 ambi=1 { N:127.641 } ::sumAvg: 4.535 atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } :: atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } ::sumAvg: 4.56 atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } :: atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } ::sumAvg: 4.56 atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } ::sumAvg: 4.55 atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } ::sumAvg: 4.55 atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.855 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } ::sumAvg: 4.855 atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } ::sumAvg: 4.425 atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 4.63 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } ::sumAvg: 4.63 atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } ::sumAvg: 4.42 atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } ::sumAvg: 3.74 atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } ::sumAvg: 3.97 atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } ::sumAvg: 3.38 atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 3.935 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 864 101L-HA A 4.588 ambi=1 { CA:54.386 } ::sumAvg: 3.935 atom: 892 103I-HG12 G1 1.3 ambi=2 { CG1:27.65 } atom: 865 101L-HB2 B 1.901 ambi=2 { CB:42.884 } :: atom: 893 103I-HG13 G1 1.24 ambi=2 { CG1:27.65 } atom: 865 101L-HB2 B 1.901 ambi=2 { CB:42.884 } ::sumAvg: 4.95 atom: 866 101L-HB3 B 1.311 ambi=2 { CB:42.884 } atom: 1322 148R-HB2 B 2.14 ambi=2 { CB:32.593 } :: atom: 866 101L-HB3 B 1.311 ambi=2 { CB:42.884 } atom: 1323 148R-HB3 B 2.07 ambi=2 { CB:32.593 } ::sumAvg: 4.93 atom: 1322 148R-HB2 B 2.14 ambi=2 { CB:32.593 } atom: 866 101L-HB3 B 1.311 ambi=2 { CB:42.884 } :: atom: 1323 148R-HB3 B 2.07 ambi=2 { CB:32.593 } atom: 866 101L-HB3 B 1.311 ambi=2 { CB:42.884 } ::sumAvg: 4.93 atom: 865 101L-HB2 B 1.901 ambi=2 { CB:42.884 } atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } :: atom: 866 101L-HB3 B 1.311 ambi=2 { CB:42.884 } atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } ::sumAvg: 4.98 atom: 865 101L-HB2 B 1.901 ambi=2 { CB:42.884 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } :: atom: 866 101L-HB3 B 1.311 ambi=2 { CB:42.884 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } ::sumAvg: 3.72 atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 865 101L-HB2 B 1.901 ambi=2 { CB:42.884 } ::sumAvg: 4.065 atom: 895 103I-HD1 D1 0.763 ambi=1 { CD1:13.41 } atom: 867 101L-HG G 1.623 ambi=1 { CG:26.77 } ::sumAvg: 4.49 atom: 867 101L-HG G 1.623 ambi=1 { CG:26.77 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } ::sumAvg: 4.185 atom: 868 101L-HD1 D1 0.821 ambi=2 { CD1:24.73 } atom: 877 102Y-HA A 4.726 ambi=1 { CA:57.067 } :: atom: 869 101L-HD2 D2 0.774 ambi=2 { CD2:23.839 } atom: 877 102Y-HA A 4.726 ambi=1 { CA:57.067 } ::sumAvg: 4.455 atom: 877 102Y-HA A 4.726 ambi=1 { CA:57.067 } atom: 868 101L-HD1 D1 0.821 ambi=2 { CD1:24.73 } :: atom: 877 102Y-HA A 4.726 ambi=1 { CA:57.067 } atom: 869 101L-HD2 D2 0.774 ambi=2 { CD2:23.839 } ::sumAvg: 4.455 atom: 868 101L-HD1 D1 0.821 ambi=2 { CD1:24.73 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } :: atom: 869 101L-HD2 D2 0.774 ambi=2 { CD2:23.839 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } ::sumAvg: 3.885 atom: 868 101L-HD1 D1 0.821 ambi=2 { CD1:24.73 } atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } :: atom: 869 101L-HD2 D2 0.774 ambi=2 { CD2:23.839 } atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } ::sumAvg: 4.87 atom: 868 101L-HD1 D1 0.821 ambi=2 { CD1:24.73 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } :: atom: 869 101L-HD2 D2 0.774 ambi=2 { CD2:23.839 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } ::sumAvg: 3.555 atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } atom: 868 101L-HD1 D1 0.821 ambi=2 { CD1:24.73 } :: atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } atom: 869 101L-HD2 D2 0.774 ambi=2 { CD2:23.839 } ::sumAvg: 3.555 atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 868 101L-HD1 D1 0.821 ambi=2 { CD1:24.73 } :: atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 869 101L-HD2 D2 0.774 ambi=2 { CD2:23.839 } ::sumAvg: 4.07 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } ::sumAvg: 4.62 atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } ::sumAvg: 4.35 atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } ::sumAvg: 4.675 atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } ::sumAvg: 3.515 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } ::sumAvg: 3.68 atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } ::sumAvg: 3.305 atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } ::sumAvg: 4.83 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 876 102Y-H N 9.07 ambi=1 { N:129.582 } ::sumAvg: 4.08 atom: 877 102Y-HA A 4.726 ambi=1 { CA:57.067 } atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } ::sumAvg: 4.645 atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } atom: 877 102Y-HA A 4.726 ambi=1 { CA:57.067 } ::sumAvg: 4.645 atom: 877 102Y-HA A 4.726 ambi=1 { CA:57.067 } atom: 895 103I-HD1 D1 0.763 ambi=1 { CD1:13.41 } ::sumAvg: 3.97 atom: 895 103I-HD1 D1 0.763 ambi=1 { CD1:13.41 } atom: 877 102Y-HA A 4.726 ambi=1 { CA:57.067 } ::sumAvg: 3.97 atom: 877 102Y-HA A 4.726 ambi=1 { CA:57.067 } atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } ::sumAvg: 4.835 atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } :: atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } ::sumAvg: 4.73 atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } :: atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } ::sumAvg: 4.73 atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } :: atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } ::sumAvg: 4.54 atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } :: atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } ::sumAvg: 4.54 atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } :: atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } ::sumAvg: 4.165 atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } :: atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } ::sumAvg: 4.165 atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } :: atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } ::sumAvg: 4.985 atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } :: atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } ::sumAvg: 4.985 atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } :: atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } ::sumAvg: 3.81 atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } :: atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } ::sumAvg: 3.525 atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } :: atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } ::sumAvg: 3.525 atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } :: atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 4.235 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } :: atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } ::sumAvg: 4.235 atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } :: atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } ::sumAvg: 4.96 atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } :: atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.19 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 878 102Y-HB2 B 3.065 ambi=2 { CB:41.002 } :: atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 879 102Y-HB3 B 2.71 ambi=2 { CB:41.002 } ::sumAvg: 4.19 atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } ::sumAvg: 4.735 atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } ::sumAvg: 4.735 atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } atom: 902 104G-H N 8.592 ambi=1 { N:115.08 } ::sumAvg: 4.685 atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } atom: 907 106Y-HA A 5.052 ambi=1 { CA:54.905 } ::sumAvg: 4.3 atom: 907 106Y-HA A 5.052 ambi=1 { CA:54.905 } atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } ::sumAvg: 4.3 atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } ::sumAvg: 4.01 atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } ::sumAvg: 4.01 atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } ::sumAvg: 4.51 atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } ::sumAvg: 4.51 atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 4.855 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } ::sumAvg: 4.855 atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } ::sumAvg: 4.02 atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 3.77 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } ::sumAvg: 3.77 atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.095 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 880 102Y-QD D 7.075 ambi=3 { CD1:133.248 } ::sumAvg: 4.095 atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } atom: 907 106Y-HA A 5.052 ambi=1 { CA:54.905 } ::sumAvg: 3.545 atom: 907 106Y-HA A 5.052 ambi=1 { CA:54.905 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } ::sumAvg: 3.545 atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } :: atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } atom: 926 108E-HB3 B 1.799 ambi=2 { CB:30.182 } ::sumAvg: 4.575 atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } :: atom: 926 108E-HB3 B 1.799 ambi=2 { CB:30.182 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } ::sumAvg: 4.575 atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } ::sumAvg: 4.425 atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } ::sumAvg: 4.425 atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } ::sumAvg: 4.595 atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 4.76 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } ::sumAvg: 4.76 atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } ::sumAvg: 4.465 atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } ::sumAvg: 4.465 atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 3.87 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } ::sumAvg: 3.87 atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } ::sumAvg: 4.4 atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } ::sumAvg: 4.4 atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 4.565 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } ::sumAvg: 4.565 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 882 102Y-QE E 6.598 ambi=3 { CE1:117.81 } ::sumAvg: 4.7 atom: 903 104G-HA2 A 4.256 ambi=2 { CA:44.179 } atom: 889 103I-H N 7.164 ambi=1 { N:127.489 } :: atom: 904 104G-HA3 A 3.786 ambi=2 { CA:44.179 } atom: 889 103I-H N 7.164 ambi=1 { N:127.489 } ::sumAvg: 4.88 atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } atom: 903 104G-HA2 A 4.256 ambi=2 { CA:44.179 } :: atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } atom: 904 104G-HA3 A 3.786 ambi=2 { CA:44.179 } ::sumAvg: 4.37 atom: 903 104G-HA2 A 4.256 ambi=2 { CA:44.179 } atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } :: atom: 904 104G-HA3 A 3.786 ambi=2 { CA:44.179 } atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } ::sumAvg: 4.37 atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } ::sumAvg: 4.885 atom: 1309 147L-HB2 B 1.777 ambi=2 { CB:42.795 } atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } :: atom: 1310 147L-HB3 B 1.48 ambi=2 { CB:42.795 } atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } ::sumAvg: 4.84 atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } ::sumAvg: 3.485 atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } ::sumAvg: 3.485 atom: 890 103I-HA A 4.829 ambi=1 { CA:59.094 } atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } ::sumAvg: 4.24 atom: 891 103I-HB B 1.47 ambi=1 { CB:39.451 } atom: 903 104G-HA2 A 4.256 ambi=2 { CA:44.179 } :: atom: 891 103I-HB B 1.47 ambi=1 { CB:39.451 } atom: 904 104G-HA3 A 3.786 ambi=2 { CA:44.179 } ::sumAvg: 4.935 atom: 903 104G-HA2 A 4.256 ambi=2 { CA:44.179 } atom: 891 103I-HB B 1.47 ambi=1 { CB:39.451 } :: atom: 904 104G-HA3 A 3.786 ambi=2 { CA:44.179 } atom: 891 103I-HB B 1.47 ambi=1 { CB:39.451 } ::sumAvg: 4.935 atom: 892 103I-HG12 G1 1.3 ambi=2 { CG1:27.65 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } :: atom: 893 103I-HG13 G1 1.24 ambi=2 { CG1:27.65 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } ::sumAvg: 4.355 atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 892 103I-HG12 G1 1.3 ambi=2 { CG1:27.65 } :: atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 893 103I-HG13 G1 1.24 ambi=2 { CG1:27.65 } ::sumAvg: 4.355 atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } atom: 903 104G-HA2 A 4.256 ambi=2 { CA:44.179 } :: atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } atom: 904 104G-HA3 A 3.786 ambi=2 { CA:44.179 } ::sumAvg: 4.28 atom: 903 104G-HA2 A 4.256 ambi=2 { CA:44.179 } atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } :: atom: 904 104G-HA3 A 3.786 ambi=2 { CA:44.179 } atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } ::sumAvg: 4.28 atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } ::sumAvg: 4.855 atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } atom: 1290 145D-HB2 B 2.675 ambi=2 { CB:39.787 } :: atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } atom: 1291 145D-HB3 B 2.599 ambi=2 { CB:39.787 } ::sumAvg: 4.825 atom: 1290 145D-HB2 B 2.675 ambi=2 { CB:39.787 } atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } :: atom: 1291 145D-HB3 B 2.599 ambi=2 { CB:39.787 } atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } ::sumAvg: 4.825 atom: 1300 146Q-QG G 2.1855 ambi=2 { CG:33.463 } atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } ::sumAvg: 4.035 atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } ::sumAvg: 4.585 atom: 1309 147L-HB2 B 1.777 ambi=2 { CB:42.795 } atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } :: atom: 1310 147L-HB3 B 1.48 ambi=2 { CB:42.795 } atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } ::sumAvg: 4.605 atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } ::sumAvg: 4.43 atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 894 103I-HG2 G2 0.533 ambi=1 { CG2:17.121 } ::sumAvg: 4.43 atom: 895 103I-HD1 D1 0.763 ambi=1 { CD1:13.41 } atom: 1296 146Q-HA A 4.176 ambi=1 { CA:54.162 } ::sumAvg: 4.18 atom: 1296 146Q-HA A 4.176 ambi=1 { CA:54.162 } atom: 895 103I-HD1 D1 0.763 ambi=1 { CD1:13.41 } ::sumAvg: 4.18 atom: 895 103I-HD1 D1 0.763 ambi=1 { CD1:13.41 } atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } ::sumAvg: 4.505 atom: 1289 145D-HA A 4.243 ambi=1 { CA:54.491 } atom: 902 104G-H N 8.592 ambi=1 { N:115.08 } ::sumAvg: 3.99 atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } atom: 902 104G-H N 8.592 ambi=1 { N:115.08 } :: atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } atom: 902 104G-H N 8.592 ambi=1 { N:115.08 } ::sumAvg: 4.91 atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 902 104G-H N 8.592 ambi=1 { N:115.08 } ::sumAvg: 4.68 atom: 903 104G-HA2 A 4.256 ambi=2 { CA:44.179 } atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } :: atom: 904 104G-HA3 A 3.786 ambi=2 { CA:44.179 } atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } ::sumAvg: 4.245 atom: 1289 145D-HA A 4.243 ambi=1 { CA:54.491 } atom: 904 104G-HA3 A 3.786 ambi=2 { CA:44.179 } ::sumAvg: 4.055 atom: 907 106Y-HA A 5.052 ambi=1 { CA:54.905 } atom: 923 108E-H N 7.194 ambi=1 { N:117.953 } ::sumAvg: 4.65 atom: 919 107G-HA2 A 5.055 ambi=2 { CA:45.996 } atom: 908 106Y-HB2 B 3.578 ambi=2 { CB:41.065 } :: atom: 920 107G-HA3 A 4.747 ambi=2 { CA:45.996 } atom: 908 106Y-HB2 B 3.578 ambi=2 { CB:41.065 } :: atom: 919 107G-HA2 A 5.055 ambi=2 { CA:45.996 } atom: 909 106Y-HB3 B 2.781 ambi=2 { CB:41.065 } :: atom: 920 107G-HA3 A 4.747 ambi=2 { CA:45.996 } atom: 909 106Y-HB3 B 2.781 ambi=2 { CB:41.065 } ::sumAvg: 4.33 atom: 919 107G-HA2 A 5.055 ambi=2 { CA:45.996 } atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } :: atom: 920 107G-HA3 A 4.747 ambi=2 { CA:45.996 } atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } ::sumAvg: 4.335 atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } atom: 935 109I-HB B 1.501 ambi=1 { CB:40.081 } ::sumAvg: 4.855 atom: 935 109I-HB B 1.501 ambi=1 { CB:40.081 } atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } ::sumAvg: 4.855 atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } ::sumAvg: 4.64 atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } ::sumAvg: 4.64 atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } ::sumAvg: 3.89 atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } ::sumAvg: 3.89 atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } ::sumAvg: 4.89 atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } ::sumAvg: 4.89 atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 3.865 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 910 106Y-QD D 6.355 ambi=3 { CD1:132.54 } ::sumAvg: 3.865 atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } atom: 935 109I-HB B 1.501 ambi=1 { CB:40.081 } ::sumAvg: 4.405 atom: 935 109I-HB B 1.501 ambi=1 { CB:40.081 } atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } ::sumAvg: 4.405 atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } atom: 936 109I-HG12 G1 1.004 ambi=2 { CG1:27.197 } :: atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } atom: 937 109I-HG13 G1 0.981 ambi=2 { CG1:27.197 } ::sumAvg: 4.165 atom: 936 109I-HG12 G1 1.004 ambi=2 { CG1:27.197 } atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } :: atom: 937 109I-HG13 G1 0.981 ambi=2 { CG1:27.197 } atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } ::sumAvg: 4.165 atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } ::sumAvg: 4.265 atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } ::sumAvg: 4.265 atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } ::sumAvg: 3.24 atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } ::sumAvg: 3.24 atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.9 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } ::sumAvg: 4.9 atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } ::sumAvg: 4.64 atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } ::sumAvg: 4.64 atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 3.62 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 912 106Y-QE E 6.76 ambi=3 { CE1:117.81 } ::sumAvg: 3.62 atom: 924 108E-HA A 4.737 ambi=1 { CA:55.101 } atom: 918 107G-H N 6.921 ambi=1 { N:105.044 } ::sumAvg: 4.67 atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } atom: 918 107G-H N 6.921 ambi=1 { N:105.044 } ::sumAvg: 4.845 atom: 919 107G-HA2 A 5.055 ambi=2 { CA:45.996 } atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } :: atom: 919 107G-HA2 A 5.055 ambi=2 { CA:45.996 } atom: 926 108E-HB3 B 1.799 ambi=2 { CB:30.182 } :: atom: 920 107G-HA3 A 4.747 ambi=2 { CA:45.996 } atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } :: atom: 920 107G-HA3 A 4.747 ambi=2 { CA:45.996 } atom: 926 108E-HB3 B 1.799 ambi=2 { CB:30.182 } ::sumAvg: 4.84 atom: 919 107G-HA2 A 5.055 ambi=2 { CA:45.996 } atom: 927 108E-HG2 G 2.239 ambi=2 { CG:36.162 } :: atom: 919 107G-HA2 A 5.055 ambi=2 { CA:45.996 } atom: 928 108E-HG3 G 2.258 ambi=2 { CG:36.162 } :: atom: 920 107G-HA3 A 4.747 ambi=2 { CA:45.996 } atom: 927 108E-HG2 G 2.239 ambi=2 { CG:36.162 } :: atom: 920 107G-HA3 A 4.747 ambi=2 { CA:45.996 } atom: 928 108E-HG3 G 2.258 ambi=2 { CG:36.162 } ::sumAvg: 4.96 atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } atom: 924 108E-HA A 4.737 ambi=1 { CA:55.101 } ::sumAvg: 4.605 atom: 924 108E-HA A 4.737 ambi=1 { CA:55.101 } atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } ::sumAvg: 4.79 atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } atom: 924 108E-HA A 4.737 ambi=1 { CA:55.101 } ::sumAvg: 4.79 atom: 924 108E-HA A 4.737 ambi=1 { CA:55.101 } atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } :: atom: 924 108E-HA A 4.737 ambi=1 { CA:55.101 } atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } ::sumAvg: 4.87 atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } atom: 924 108E-HA A 4.737 ambi=1 { CA:55.101 } :: atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } atom: 924 108E-HA A 4.737 ambi=1 { CA:55.101 } ::sumAvg: 4.87 atom: 924 108E-HA A 4.737 ambi=1 { CA:55.101 } atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } ::sumAvg: 4.12 atom: 924 108E-HA A 4.737 ambi=1 { CA:55.101 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 4.615 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 924 108E-HA A 4.737 ambi=1 { CA:55.101 } ::sumAvg: 4.615 atom: 926 108E-HB3 B 1.799 ambi=2 { CB:30.182 } atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } ::sumAvg: 4.785 atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } atom: 926 108E-HB3 B 1.799 ambi=2 { CB:30.182 } ::sumAvg: 4.785 atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } :: atom: 926 108E-HB3 B 1.799 ambi=2 { CB:30.182 } atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } ::sumAvg: 4.105 atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } :: atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } ::sumAvg: 4.88 atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } :: atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } ::sumAvg: 4.88 atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } :: atom: 926 108E-HB3 B 1.799 ambi=2 { CB:30.182 } atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } ::sumAvg: 3.85 atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 3.405 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 925 108E-HB2 B 2.646 ambi=2 { CB:30.182 } ::sumAvg: 3.405 atom: 927 108E-HG2 G 2.239 ambi=2 { CG:36.162 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } :: atom: 928 108E-HG3 G 2.258 ambi=2 { CG:36.162 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 3.87 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 927 108E-HG2 G 2.239 ambi=2 { CG:36.162 } :: atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 928 108E-HG3 G 2.258 ambi=2 { CG:36.162 } ::sumAvg: 3.87 atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } atom: 933 109I-H N 7.211 ambi=1 { N:121.252 } :: atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } atom: 933 109I-H N 7.211 ambi=1 { N:121.252 } ::sumAvg: 4.775 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 933 109I-H N 7.211 ambi=1 { N:121.252 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 933 109I-H N 7.211 ambi=1 { N:121.252 } ::sumAvg: 4.88 atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } ::sumAvg: 4.815 atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } ::sumAvg: 4.815 atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 4.09 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } ::sumAvg: 4.09 atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } ::sumAvg: 4.02 atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } ::sumAvg: 4.02 atom: 934 109I-HA A 2.991 ambi=1 { CA:64.297 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } ::sumAvg: 4.765 atom: 936 109I-HG12 G1 1.004 ambi=2 { CG1:27.197 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } :: atom: 937 109I-HG13 G1 0.981 ambi=2 { CG1:27.197 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 3.53 atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 936 109I-HG12 G1 1.004 ambi=2 { CG1:27.197 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 937 109I-HG13 G1 0.981 ambi=2 { CG1:27.197 } ::sumAvg: 3.53 atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } :: atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } ::sumAvg: 4.595 atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } :: atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } ::sumAvg: 4.595 atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } atom: 950 110E-QG G 2.198 ambi=2 { CG:35.9 } ::sumAvg: 4.015 atom: 950 110E-QG G 2.198 ambi=2 { CG:35.9 } atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } ::sumAvg: 4.015 atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } ::sumAvg: 4.605 atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } atom: 962 112V-H N 7.405 ambi=1 { N:117.751 } ::sumAvg: 4.615 atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } ::sumAvg: 4.28 atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } :: atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } ::sumAvg: 3.625 atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } :: atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } ::sumAvg: 3.625 atom: 938 109I-HG2 G2 0.721 ambi=1 { CG2:16.661 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 3.99 atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } :: atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } ::sumAvg: 4.41 atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 3.655 atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } ::sumAvg: 3.655 atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } atom: 1200 135Y-QE E 6.694 ambi=3 { CE1:118.861 } ::sumAvg: 4.94 atom: 1200 135Y-QE E 6.694 ambi=3 { CE1:118.861 } atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } ::sumAvg: 4.94 atom: 1347 151V-HB B 1.512 ambi=1 { CB:33.46 } atom: 939 109I-HD1 D1 0.801 ambi=1 { CD1:15.011 } ::sumAvg: 3.055 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } ::sumAvg: 4.34 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } ::sumAvg: 4.545 atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } :: atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } atom: 946 110E-H N 8.604 ambi=1 { N:122.732 } ::sumAvg: 4.72 atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 4.97 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } ::sumAvg: 4.97 atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } atom: 962 112V-H N 7.405 ambi=1 { N:117.751 } ::sumAvg: 4.25 atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.455 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } ::sumAvg: 4.455 atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } ::sumAvg: 4.925 atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } ::sumAvg: 4.925 atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } atom: 978 113Y-QE E 6.453 ambi=3 { CE1:118.124 } ::sumAvg: 4.655 atom: 978 113Y-QE E 6.453 ambi=3 { CE1:118.124 } atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } ::sumAvg: 4.655 atom: 947 110E-HA A 3.967 ambi=1 { CA:59.403 } atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } ::sumAvg: 3.99 atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } :: atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } ::sumAvg: 4.325 atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } :: atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } ::sumAvg: 4.325 atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } :: atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } :: atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } :: atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } ::sumAvg: 4.2 atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } :: atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } :: atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } :: atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } ::sumAvg: 4.2 atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } :: atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } ::sumAvg: 4.675 atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } atom: 948 110E-HB2 B 2.01 ambi=2 { CB:28.686 } :: atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } atom: 949 110E-HB3 B 1.882 ambi=2 { CB:28.686 } ::sumAvg: 4.675 atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } atom: 950 110E-QG G 2.198 ambi=2 { CG:35.9 } ::sumAvg: 4.64 atom: 950 110E-QG G 2.198 ambi=2 { CG:35.9 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 4.47 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 950 110E-QG G 2.198 ambi=2 { CG:35.9 } ::sumAvg: 4.47 atom: 950 110E-QG G 2.198 ambi=2 { CG:35.9 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } ::sumAvg: 4.86 atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } atom: 950 110E-QG G 2.198 ambi=2 { CG:35.9 } :: atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } atom: 950 110E-QG G 2.198 ambi=2 { CG:35.9 } ::sumAvg: 3.885 atom: 950 110E-QG G 2.198 ambi=2 { CG:35.9 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } ::sumAvg: 4.1 atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } atom: 950 110E-QG G 2.198 ambi=2 { CG:35.9 } ::sumAvg: 4.1 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } ::sumAvg: 3.95 atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } :: atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } atom: 956 111A-H N 7.628 ambi=1 { N:118.591 } ::sumAvg: 4.84 atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } atom: 963 112V-HA A 3.364 ambi=1 { CA:63.382 } ::sumAvg: 4.715 atom: 963 112V-HA A 3.364 ambi=1 { CA:63.382 } atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } ::sumAvg: 4.715 atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.98 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } ::sumAvg: 4.98 atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } ::sumAvg: 4.465 atom: 957 111A-HA A 4.224 ambi=1 { CA:55.104 } atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } ::sumAvg: 3.755 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 963 112V-HA A 3.364 ambi=1 { CA:63.382 } ::sumAvg: 3.86 atom: 963 112V-HA A 3.364 ambi=1 { CA:63.382 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 3.86 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 3.57 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 3.57 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } ::sumAvg: 4.395 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } ::sumAvg: 4.75 atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 987 114D-HB2 B 2.753 ambi=2 { CB:40.46 } :: atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } atom: 988 114D-HB3 B 2.647 ambi=2 { CB:40.46 } ::sumAvg: 4.635 atom: 987 114D-HB2 B 2.753 ambi=2 { CB:40.46 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } :: atom: 988 114D-HB3 B 2.647 ambi=2 { CB:40.46 } atom: 958 111A-HB B 1.692 ambi=1 { CB:19.21 } ::sumAvg: 4.635 atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } atom: 962 112V-H N 7.405 ambi=1 { N:117.751 } :: atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } atom: 962 112V-H N 7.405 ambi=1 { N:117.751 } ::sumAvg: 4.44 atom: 963 112V-HA A 3.364 ambi=1 { CA:63.382 } atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } ::sumAvg: 4.84 atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 963 112V-HA A 3.364 ambi=1 { CA:63.382 } ::sumAvg: 4.84 atom: 963 112V-HA A 3.364 ambi=1 { CA:63.382 } atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } ::sumAvg: 4.29 atom: 963 112V-HA A 3.364 ambi=1 { CA:63.382 } atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } ::sumAvg: 4.6 atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } ::sumAvg: 4.845 atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } ::sumAvg: 4.845 atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 964 112V-HB B 1.408 ambi=1 { CB:31.118 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.33 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } ::sumAvg: 3.385 atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 3.385 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } :: atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } ::sumAvg: 4.245 atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } :: atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.245 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } ::sumAvg: 3.55 atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 3.55 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 978 113Y-QE E 6.453 ambi=3 { CE1:118.124 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 978 113Y-QE E 6.453 ambi=3 { CE1:118.124 } ::sumAvg: 4.9 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 985 114D-H N 8.411 ambi=1 { N:118.455 } ::sumAvg: 4.695 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } ::sumAvg: 4.095 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } :: atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } ::sumAvg: 4.15 atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } :: atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } :: atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } ::sumAvg: 4.15 atom: 965 112V-HG1 G1 0.628 ambi=2 { CG1:20.355 } atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } :: atom: 966 112V-HG2 G2 0.426 ambi=2 { CG2:23.405 } atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } ::sumAvg: 4.72 atom: 987 114D-HB2 B 2.753 ambi=2 { CB:40.46 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } :: atom: 988 114D-HB3 B 2.647 ambi=2 { CB:40.46 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } ::sumAvg: 4.805 atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } ::sumAvg: 4.695 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 972 113Y-H N 6.989 ambi=1 { N:123.252 } ::sumAvg: 4.88 atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 992 115A-H N 7.305 ambi=1 { N:121.563 } ::sumAvg: 4.24 atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } ::sumAvg: 4.855 atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } ::sumAvg: 4.855 atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } ::sumAvg: 3.52 atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } :: atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } ::sumAvg: 3.475 atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } :: atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } ::sumAvg: 3.475 atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 1002 116L-HG G 1.508 ambi=1 { CG:26.77 } ::sumAvg: 4.255 atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 2.795 atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 1011 117M-H N 8.72 ambi=1 { N:117.988 } ::sumAvg: 4.525 atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.55 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 973 113Y-HA A 4.63 ambi=1 { CA:64.129 } ::sumAvg: 4.55 atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } :: atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } ::sumAvg: 4.11 atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } :: atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } ::sumAvg: 4.11 atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } :: atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.6 atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 974 113Y-HB2 B 2.916 ambi=2 { CB:37.925 } :: atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 975 113Y-HB3 B 2.899 ambi=2 { CB:37.925 } ::sumAvg: 4.6 atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } ::sumAvg: 4.54 atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } ::sumAvg: 4.54 atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } :: atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } ::sumAvg: 4.94 atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } :: atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } ::sumAvg: 4.94 atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 3.42 atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } ::sumAvg: 3.42 atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } atom: 1011 117M-H N 8.72 ambi=1 { N:117.988 } ::sumAvg: 4.71 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 976 113Y-QD D 6.877 ambi=3 { CD1:131.878 } ::sumAvg: 3.8 atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 978 113Y-QE E 6.453 ambi=3 { CE1:118.124 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 978 113Y-QE E 6.453 ambi=3 { CE1:118.124 } ::sumAvg: 4.5 atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } atom: 978 113Y-QE E 6.453 ambi=3 { CE1:118.124 } :: atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } atom: 978 113Y-QE E 6.453 ambi=3 { CE1:118.124 } ::sumAvg: 4.63 atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } atom: 998 116L-H N 8.689 ambi=1 { N:120.988 } ::sumAvg: 4.42 atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } atom: 1011 117M-H N 8.72 ambi=1 { N:117.988 } ::sumAvg: 3.955 atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } atom: 1013 117M-HB2 B 2.207 ambi=2 { CB:35.703 } :: atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } atom: 1014 117M-HB3 B 2.033 ambi=2 { CB:35.703 } ::sumAvg: 3.845 atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } atom: 1015 117M-HG2 G 2.902 ambi=2 { CG:33.403 } :: atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } atom: 1016 117M-HG3 G 2.885 ambi=2 { CG:33.403 } ::sumAvg: 4.14 atom: 1015 117M-HG2 G 2.902 ambi=2 { CG:33.403 } atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } :: atom: 1016 117M-HG3 G 2.885 ambi=2 { CG:33.403 } atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } ::sumAvg: 4.14 atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } atom: 1017 117M-HE E 2.128 ambi=1 { CE:17.088 } ::sumAvg: 4.325 atom: 1017 117M-HE E 2.128 ambi=1 { CE:17.088 } atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } ::sumAvg: 4.325 atom: 986 114D-HA A 4.361 ambi=1 { CA:57.413 } atom: 1023 118K-H N 7.824 ambi=1 { N:120.157 } ::sumAvg: 4.74 atom: 987 114D-HB2 B 2.753 ambi=2 { CB:40.46 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } :: atom: 988 114D-HB3 B 2.647 ambi=2 { CB:40.46 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } ::sumAvg: 3.9 atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 987 114D-HB2 B 2.753 ambi=2 { CB:40.46 } :: atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 988 114D-HB3 B 2.647 ambi=2 { CB:40.46 } ::sumAvg: 3.9 atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 992 115A-H N 7.305 ambi=1 { N:121.563 } :: atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 992 115A-H N 7.305 ambi=1 { N:121.563 } ::sumAvg: 4.725 atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 992 115A-H N 7.305 ambi=1 { N:121.563 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 992 115A-H N 7.305 ambi=1 { N:121.563 } ::sumAvg: 4.815 atom: 993 115A-HA A 4.179 ambi=1 { CA:55.251 } atom: 1023 118K-H N 7.824 ambi=1 { N:120.157 } ::sumAvg: 3.635 atom: 993 115A-HA A 4.179 ambi=1 { CA:55.251 } atom: 1025 118K-HB2 B 2.05 ambi=2 { CB:32.258 } :: atom: 993 115A-HA A 4.179 ambi=1 { CA:55.251 } atom: 1026 118K-HB3 B 1.963 ambi=2 { CB:32.258 } ::sumAvg: 3.445 atom: 993 115A-HA A 4.179 ambi=1 { CA:55.251 } atom: 1027 118K-HG2 G 1.611 ambi=2 { CG:25.162 } :: atom: 993 115A-HA A 4.179 ambi=1 { CA:55.251 } atom: 1028 118K-HG3 G 1.519 ambi=2 { CG:25.162 } ::sumAvg: 4.255 atom: 993 115A-HA A 4.179 ambi=1 { CA:55.251 } atom: 1032 118K-QE E 3.0645 ambi=2 { CE:42.285 } ::sumAvg: 4.73 atom: 993 115A-HA A 4.179 ambi=1 { CA:55.251 } atom: 1039 119W-H N 8.358 ambi=1 { N:120.824 } ::sumAvg: 4.435 atom: 999 116L-HA A 4.228 ambi=1 { CA:57.932 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } ::sumAvg: 3.825 atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } ::sumAvg: 4.335 atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } ::sumAvg: 4.335 atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 3.685 atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 1023 118K-H N 7.824 ambi=1 { N:120.157 } ::sumAvg: 4.675 atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 1025 118K-HB2 B 2.05 ambi=2 { CB:32.258 } :: atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 1026 118K-HB3 B 1.963 ambi=2 { CB:32.258 } ::sumAvg: 4.695 atom: 1025 118K-HB2 B 2.05 ambi=2 { CB:32.258 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } :: atom: 1026 118K-HB3 B 1.963 ambi=2 { CB:32.258 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } ::sumAvg: 4.695 atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 1039 119W-H N 8.358 ambi=1 { N:120.824 } ::sumAvg: 4.725 atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } ::sumAvg: 4.4 atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 994 115A-HB B 1.455 ambi=1 { CB:18.663 } ::sumAvg: 4.4 atom: 999 116L-HA A 4.228 ambi=1 { CA:57.932 } atom: 1039 119W-H N 8.358 ambi=1 { N:120.824 } ::sumAvg: 3.595 atom: 999 116L-HA A 4.228 ambi=1 { CA:57.932 } atom: 1043 119W-HD1 D1 7.405 ambi=1 { CD1:127.331 } ::sumAvg: 4.355 atom: 999 116L-HA A 4.228 ambi=1 { CA:57.932 } atom: 1058 120V-H N 9.128 ambi=1 { N:120.314 } ::sumAvg: 4.325 atom: 999 116L-HA A 4.228 ambi=1 { CA:57.932 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 999 116L-HA A 4.228 ambi=1 { CA:57.932 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.685 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 999 116L-HA A 4.228 ambi=1 { CA:57.932 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 999 116L-HA A 4.228 ambi=1 { CA:57.932 } ::sumAvg: 4.685 atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } :: atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } ::sumAvg: 4.15 atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 1013 117M-HB2 B 2.207 ambi=2 { CB:35.703 } :: atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 1014 117M-HB3 B 2.033 ambi=2 { CB:35.703 } ::sumAvg: 4.77 atom: 1013 117M-HB2 B 2.207 ambi=2 { CB:35.703 } atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } :: atom: 1014 117M-HB3 B 2.033 ambi=2 { CB:35.703 } atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } ::sumAvg: 4.77 atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } :: atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } ::sumAvg: 4.995 atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } :: atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } ::sumAvg: 4.995 atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.45 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } ::sumAvg: 4.45 atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } :: atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.8 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1000 116L-HB2 B 1.975 ambi=2 { CB:43.66 } :: atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } ::sumAvg: 4.8 atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } :: atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } ::sumAvg: 4.35 atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } :: atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } atom: 1001 116L-HB3 B 1.165 ambi=2 { CB:43.66 } ::sumAvg: 4.35 atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } ::sumAvg: 4.205 atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.205 atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 1013 117M-HB2 B 2.207 ambi=2 { CB:35.703 } :: atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 1014 117M-HB3 B 2.033 ambi=2 { CB:35.703 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 1013 117M-HB2 B 2.207 ambi=2 { CB:35.703 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 1014 117M-HB3 B 2.033 ambi=2 { CB:35.703 } ::sumAvg: 4.82 atom: 1013 117M-HB2 B 2.207 ambi=2 { CB:35.703 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 1014 117M-HB3 B 2.033 ambi=2 { CB:35.703 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 1013 117M-HB2 B 2.207 ambi=2 { CB:35.703 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } :: atom: 1014 117M-HB3 B 2.033 ambi=2 { CB:35.703 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.82 atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 1039 119W-H N 8.358 ambi=1 { N:120.824 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 1039 119W-H N 8.358 ambi=1 { N:120.824 } ::sumAvg: 4.76 atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } ::sumAvg: 3.835 atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 3.835 atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 1045 119W-HE3 E3 7.378 ambi=1 { CE3:118.952 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 1045 119W-HE3 E3 7.378 ambi=1 { CE3:118.952 } ::sumAvg: 4.825 atom: 1045 119W-HE3 E3 7.378 ambi=1 { CE3:118.952 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 1045 119W-HE3 E3 7.378 ambi=1 { CE3:118.952 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.825 atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } :: atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } ::sumAvg: 4.73 atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.73 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 4.36 atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } atom: 1003 116L-HD1 D1 0.535 ambi=2 { CD1:24.73 } :: atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } :: atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } atom: 1004 116L-HD2 D2 0.514 ambi=2 { CD2:24.1 } ::sumAvg: 3.58 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1011 117M-H N 8.72 ambi=1 { N:117.988 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1011 117M-H N 8.72 ambi=1 { N:117.988 } ::sumAvg: 4.61 atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } atom: 1039 119W-H N 8.358 ambi=1 { N:120.824 } ::sumAvg: 4.32 atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } atom: 1058 120V-H N 9.128 ambi=1 { N:120.314 } ::sumAvg: 3.845 atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } ::sumAvg: 3.785 atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } ::sumAvg: 3.785 atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 2.445 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1012 117M-HA A 3.972 ambi=1 { CA:59.125 } ::sumAvg: 2.445 atom: 1013 117M-HB2 B 2.207 ambi=2 { CB:35.703 } atom: 1024 118K-HA A 4.191 ambi=1 { CA:59.155 } :: atom: 1014 117M-HB3 B 2.033 ambi=2 { CB:35.703 } atom: 1024 118K-HA A 4.191 ambi=1 { CA:59.155 } ::sumAvg: 4.475 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1013 117M-HB2 B 2.207 ambi=2 { CB:35.703 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1013 117M-HB2 B 2.207 ambi=2 { CB:35.703 } :: atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1014 117M-HB3 B 2.033 ambi=2 { CB:35.703 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1014 117M-HB3 B 2.033 ambi=2 { CB:35.703 } ::sumAvg: 4.23 atom: 1015 117M-HG2 G 2.902 ambi=2 { CG:33.403 } atom: 1024 118K-HA A 4.191 ambi=1 { CA:59.155 } :: atom: 1016 117M-HG3 G 2.885 ambi=2 { CG:33.403 } atom: 1024 118K-HA A 4.191 ambi=1 { CA:59.155 } ::sumAvg: 4.945 atom: 1025 118K-HB2 B 2.05 ambi=2 { CB:32.258 } atom: 1015 117M-HG2 G 2.902 ambi=2 { CG:33.403 } :: atom: 1026 118K-HB3 B 1.963 ambi=2 { CB:32.258 } atom: 1015 117M-HG2 G 2.902 ambi=2 { CG:33.403 } :: atom: 1025 118K-HB2 B 2.05 ambi=2 { CB:32.258 } atom: 1016 117M-HG3 G 2.885 ambi=2 { CG:33.403 } :: atom: 1026 118K-HB3 B 1.963 ambi=2 { CB:32.258 } atom: 1016 117M-HG3 G 2.885 ambi=2 { CG:33.403 } ::sumAvg: 4.85 atom: 1015 117M-HG2 G 2.902 ambi=2 { CG:33.403 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1015 117M-HG2 G 2.902 ambi=2 { CG:33.403 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } :: atom: 1016 117M-HG3 G 2.885 ambi=2 { CG:33.403 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1016 117M-HG3 G 2.885 ambi=2 { CG:33.403 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.245 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1015 117M-HG2 G 2.902 ambi=2 { CG:33.403 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1015 117M-HG2 G 2.902 ambi=2 { CG:33.403 } :: atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1016 117M-HG3 G 2.885 ambi=2 { CG:33.403 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1016 117M-HG3 G 2.885 ambi=2 { CG:33.403 } ::sumAvg: 4.245 atom: 1017 117M-HE E 2.128 ambi=1 { CE:17.088 } atom: 1024 118K-HA A 4.191 ambi=1 { CA:59.155 } ::sumAvg: 4.67 atom: 1024 118K-HA A 4.191 ambi=1 { CA:59.155 } atom: 1017 117M-HE E 2.128 ambi=1 { CE:17.088 } ::sumAvg: 4.67 atom: 1017 117M-HE E 2.128 ambi=1 { CE:17.088 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1017 117M-HE E 2.128 ambi=1 { CE:17.088 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.005 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1017 117M-HE E 2.128 ambi=1 { CE:17.088 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1017 117M-HE E 2.128 ambi=1 { CE:17.088 } ::sumAvg: 4.005 atom: 1070 121D-HB2 B 2.822 ambi=2 { CB:41.065 } atom: 1017 117M-HE E 2.128 ambi=1 { CE:17.088 } :: atom: 1071 121D-HB3 B 2.882 ambi=2 { CB:41.065 } atom: 1017 117M-HE E 2.128 ambi=1 { CE:17.088 } ::sumAvg: 4.885 atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1023 118K-H N 7.824 ambi=1 { N:120.157 } ::sumAvg: 4.325 atom: 1024 118K-HA A 4.191 ambi=1 { CA:59.155 } atom: 1058 120V-H N 9.128 ambi=1 { N:120.314 } ::sumAvg: 4.52 atom: 1024 118K-HA A 4.191 ambi=1 { CA:59.155 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1024 118K-HA A 4.191 ambi=1 { CA:59.155 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.815 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1024 118K-HA A 4.191 ambi=1 { CA:59.155 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1024 118K-HA A 4.191 ambi=1 { CA:59.155 } ::sumAvg: 4.815 atom: 1024 118K-HA A 4.191 ambi=1 { CA:59.155 } atom: 1075 122D-H N 8.788 ambi=1 { N:120.075 } ::sumAvg: 4.74 atom: 1040 119W-HA A 4.228 ambi=1 { CA:62.583 } atom: 1025 118K-HB2 B 2.05 ambi=2 { CB:32.258 } :: atom: 1040 119W-HA A 4.228 ambi=1 { CA:62.583 } atom: 1026 118K-HB3 B 1.963 ambi=2 { CB:32.258 } ::sumAvg: 4.28 atom: 1025 118K-HB2 B 2.05 ambi=2 { CB:32.258 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } :: atom: 1026 118K-HB3 B 1.963 ambi=2 { CB:32.258 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } ::sumAvg: 4.52 atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1025 118K-HB2 B 2.05 ambi=2 { CB:32.258 } :: atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1026 118K-HB3 B 1.963 ambi=2 { CB:32.258 } ::sumAvg: 4.52 atom: 1040 119W-HA A 4.228 ambi=1 { CA:62.583 } atom: 1027 118K-HG2 G 1.611 ambi=2 { CG:25.162 } :: atom: 1040 119W-HA A 4.228 ambi=1 { CA:62.583 } atom: 1028 118K-HG3 G 1.519 ambi=2 { CG:25.162 } ::sumAvg: 4.755 atom: 1027 118K-HG2 G 1.611 ambi=2 { CG:25.162 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } :: atom: 1028 118K-HG3 G 1.519 ambi=2 { CG:25.162 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } ::sumAvg: 4.745 atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1027 118K-HG2 G 1.611 ambi=2 { CG:25.162 } :: atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1028 118K-HG3 G 1.519 ambi=2 { CG:25.162 } ::sumAvg: 4.745 atom: 1040 119W-HA A 4.228 ambi=1 { CA:62.583 } atom: 1029 118K-HD2 D 1.784 ambi=2 { CD:28.78 } :: atom: 1040 119W-HA A 4.228 ambi=1 { CA:62.583 } atom: 1030 118K-HD3 D 1.74 ambi=2 { CD:28.78 } ::sumAvg: 4.735 atom: 1029 118K-HD2 D 1.784 ambi=2 { CD:28.78 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } :: atom: 1030 118K-HD3 D 1.74 ambi=2 { CD:28.78 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } ::sumAvg: 4.845 atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1029 118K-HD2 D 1.784 ambi=2 { CD:28.78 } :: atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1030 118K-HD3 D 1.74 ambi=2 { CD:28.78 } ::sumAvg: 4.845 atom: 1032 118K-QE E 3.0645 ambi=2 { CE:42.285 } atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } :: atom: 1032 118K-QE E 3.0645 ambi=2 { CE:42.285 } atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } ::sumAvg: 4.805 atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } atom: 1032 118K-QE E 3.0645 ambi=2 { CE:42.285 } :: atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } atom: 1032 118K-QE E 3.0645 ambi=2 { CE:42.285 } ::sumAvg: 4.805 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1039 119W-H N 8.358 ambi=1 { N:120.824 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1039 119W-H N 8.358 ambi=1 { N:120.824 } ::sumAvg: 4.005 atom: 1040 119W-HA A 4.228 ambi=1 { CA:62.583 } atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } ::sumAvg: 4.78 atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } atom: 1040 119W-HA A 4.228 ambi=1 { CA:62.583 } ::sumAvg: 4.78 atom: 1040 119W-HA A 4.228 ambi=1 { CA:62.583 } atom: 1068 121D-H N 7.829 ambi=1 { N:120.137 } ::sumAvg: 4.495 atom: 1040 119W-HA A 4.228 ambi=1 { CA:62.583 } atom: 1075 122D-H N 8.788 ambi=1 { N:120.075 } ::sumAvg: 3.67 atom: 1040 119W-HA A 4.228 ambi=1 { CA:62.583 } atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } :: atom: 1040 119W-HA A 4.228 ambi=1 { CA:62.583 } atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } ::sumAvg: 4.81 atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } ::sumAvg: 4.45 atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } ::sumAvg: 4.45 atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 3.975 atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1068 121D-H N 7.829 ambi=1 { N:120.137 } ::sumAvg: 4.86 atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } :: atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } ::sumAvg: 4.97 atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } :: atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } atom: 1042 119W-QB B 3.4715 ambi=2 { CB:29.84 } ::sumAvg: 4.97 atom: 1043 119W-HD1 D1 7.405 ambi=1 { CD1:127.331 } atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } :: atom: 1043 119W-HD1 D1 7.405 ambi=1 { CD1:127.331 } atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } ::sumAvg: 4.655 atom: 1045 119W-HE3 E3 7.378 ambi=1 { CE3:118.952 } atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } ::sumAvg: 4.045 atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } atom: 1045 119W-HE3 E3 7.378 ambi=1 { CE3:118.952 } ::sumAvg: 4.045 atom: 1045 119W-HE3 E3 7.378 ambi=1 { CE3:118.952 } atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } :: atom: 1045 119W-HE3 E3 7.378 ambi=1 { CE3:118.952 } atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } ::sumAvg: 3.855 atom: 1045 119W-HE3 E3 7.378 ambi=1 { CE3:118.952 } atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } :: atom: 1045 119W-HE3 E3 7.378 ambi=1 { CE3:118.952 } atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } ::sumAvg: 4.09 atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } :: atom: 1046 119W-HZ2 Z2 7.48 ambi=1 { CZ2:114.305 } atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } ::sumAvg: 3.96 atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } ::sumAvg: 4.385 atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } ::sumAvg: 4.385 atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } :: atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } ::sumAvg: 4.22 atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } :: atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } ::sumAvg: 4.22 atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } :: atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } ::sumAvg: 4.355 atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.11 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 1047 119W-HZ3 Z3 6.746 ambi=1 { CZ3:120.553 } ::sumAvg: 4.11 atom: 1048 119W-HH2 H2 7.111 ambi=1 { CH2:123.806 } atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } :: atom: 1048 119W-HH2 H2 7.111 ambi=1 { CH2:123.806 } atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } ::sumAvg: 4.84 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 1048 119W-HH2 H2 7.111 ambi=1 { CH2:123.806 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 1048 119W-HH2 H2 7.111 ambi=1 { CH2:123.806 } ::sumAvg: 4.815 atom: 1070 121D-HB2 B 2.822 ambi=2 { CB:41.065 } atom: 1058 120V-H N 9.128 ambi=1 { N:120.314 } :: atom: 1071 121D-HB3 B 2.882 ambi=2 { CB:41.065 } atom: 1058 120V-H N 9.128 ambi=1 { N:120.314 } ::sumAvg: 4.865 atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } ::sumAvg: 4.815 atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } ::sumAvg: 4.815 atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } atom: 1075 122D-H N 8.788 ambi=1 { N:120.075 } ::sumAvg: 4.27 atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } :: atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } ::sumAvg: 3.185 atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } :: atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } ::sumAvg: 3.185 atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } :: atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } ::sumAvg: 4.22 atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 3.94 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 1059 120V-HA A 3.569 ambi=1 { CA:67.793 } ::sumAvg: 3.94 atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.58 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 1060 120V-HB B 2.499 ambi=1 { CB:31.551 } ::sumAvg: 4.58 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } ::sumAvg: 3.145 atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 3.145 atom: 1070 121D-HB2 B 2.822 ambi=2 { CB:41.065 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1071 121D-HB3 B 2.882 ambi=2 { CB:41.065 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1070 121D-HB2 B 2.822 ambi=2 { CB:41.065 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } :: atom: 1071 121D-HB3 B 2.882 ambi=2 { CB:41.065 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 3.515 atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } ::sumAvg: 4.265 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } :: atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } ::sumAvg: 4.71 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } :: atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } ::sumAvg: 4.51 atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } :: atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.51 atom: 1098 125F-HA A 4.994 ambi=1 { CA:55.703 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1098 125F-HA A 4.994 ambi=1 { CA:55.703 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 3.275 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1103 125F-QE E 7.122 ambi=3 { CE1:130.48 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1103 125F-QE E 7.122 ambi=3 { CE1:130.48 } ::sumAvg: 4.87 atom: 1103 125F-QE E 7.122 ambi=3 { CE1:130.48 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1103 125F-QE E 7.122 ambi=3 { CE1:130.48 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.87 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1110 126D-H N 8.892 ambi=1 { N:119.043 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1110 126D-H N 8.892 ambi=1 { N:119.043 } ::sumAvg: 3.545 atom: 1112 126D-HB2 B 2.734 ambi=2 { CB:43.747 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1113 126D-HB3 B 2.647 ambi=2 { CB:43.747 } atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } :: atom: 1112 126D-HB2 B 2.734 ambi=2 { CB:43.747 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } :: atom: 1113 126D-HB3 B 2.647 ambi=2 { CB:43.747 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.59 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } ::sumAvg: 4.725 atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1383 155L-HB2 B 1.567 ambi=2 { CB:42.795 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1384 155L-HB3 B 1.463 ambi=2 { CB:42.795 } ::sumAvg: 4.705 atom: 1383 155L-HB2 B 1.567 ambi=2 { CB:42.795 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } :: atom: 1384 155L-HB3 B 1.463 ambi=2 { CB:42.795 } atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } ::sumAvg: 4.705 atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1385 155L-HG G 1.541 ambi=1 { CG:26.77 } ::sumAvg: 4.175 atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1061 120V-HG1 G1 1.374 ambi=2 { CG1:24.757 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } :: atom: 1062 120V-HG2 G2 1.044 ambi=2 { CG2:22.011 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 3.07 atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } atom: 1068 121D-H N 7.829 ambi=1 { N:120.137 } :: atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } atom: 1068 121D-H N 7.829 ambi=1 { N:120.137 } ::sumAvg: 4.9 atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } ::sumAvg: 4.33 atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } ::sumAvg: 3.705 atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } :: atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } ::sumAvg: 4.195 atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } :: atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } ::sumAvg: 4.195 atom: 1069 121D-HA A 4.494 ambi=1 { CA:57.327 } atom: 1097 125F-H N 7.558 ambi=1 { N:117.637 } ::sumAvg: 4.5 atom: 1070 121D-HB2 B 2.822 ambi=2 { CB:41.065 } atom: 1076 122D-HA A 4.276 ambi=1 { CA:56.808 } :: atom: 1071 121D-HB3 B 2.882 ambi=2 { CB:41.065 } atom: 1076 122D-HA A 4.276 ambi=1 { CA:56.808 } ::sumAvg: 4.38 atom: 1076 122D-HA A 4.276 ambi=1 { CA:56.808 } atom: 1070 121D-HB2 B 2.822 ambi=2 { CB:41.065 } :: atom: 1076 122D-HA A 4.276 ambi=1 { CA:56.808 } atom: 1071 121D-HB3 B 2.882 ambi=2 { CB:41.065 } ::sumAvg: 4.38 atom: 1071 121D-HB3 B 2.882 ambi=2 { CB:41.065 } atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } ::sumAvg: 4.26 atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } atom: 1071 121D-HB3 B 2.882 ambi=2 { CB:41.065 } ::sumAvg: 4.26 atom: 1070 121D-HB2 B 2.822 ambi=2 { CB:41.065 } atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } :: atom: 1071 121D-HB3 B 2.882 ambi=2 { CB:41.065 } atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } ::sumAvg: 4.96 atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } atom: 1075 122D-H N 8.788 ambi=1 { N:120.075 } :: atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } atom: 1075 122D-H N 8.788 ambi=1 { N:120.075 } ::sumAvg: 4.63 atom: 1076 122D-HA A 4.276 ambi=1 { CA:56.808 } atom: 1092 124G-H N 7.555 ambi=1 { N:107.572 } ::sumAvg: 4.28 atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } atom: 1083 123N-HA A 4.182 ambi=1 { CA:53.826 } :: atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } atom: 1083 123N-HA A 4.182 ambi=1 { CA:53.826 } ::sumAvg: 4.63 atom: 1083 123N-HA A 4.182 ambi=1 { CA:53.826 } atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } :: atom: 1083 123N-HA A 4.182 ambi=1 { CA:53.826 } atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } ::sumAvg: 4.63 atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } :: atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } :: atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } :: atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } ::sumAvg: 4.715 atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } :: atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } :: atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } :: atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } ::sumAvg: 4.715 atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } :: atom: 1077 122D-HB2 B 2.66 ambi=2 { CB:40.46 } atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } :: atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } atom: 1086 123N-HD21 D2 6.21 ambi=2 { ND2:113.721 } :: atom: 1078 122D-HB3 B 2.454 ambi=2 { CB:40.46 } atom: 1087 123N-HD22 D2 5.892 ambi=2 { ND2:113.721 } ::sumAvg: 4.185 atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } :: atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } atom: 1082 123N-H N 7.356 ambi=1 { N:113.986 } ::sumAvg: 4.72 atom: 1083 123N-HA A 4.182 ambi=1 { CA:53.826 } atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } ::sumAvg: 4.49 atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } atom: 1083 123N-HA A 4.182 ambi=1 { CA:53.826 } ::sumAvg: 4.49 atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } :: atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } :: atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } :: atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } ::sumAvg: 4.885 atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } :: atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } :: atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } :: atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } ::sumAvg: 4.885 atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } atom: 1099 125F-HB2 B 3.439 ambi=2 { CB:41.642 } :: atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } atom: 1100 125F-HB3 B 2.795 ambi=2 { CB:41.642 } :: atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } atom: 1099 125F-HB2 B 3.439 ambi=2 { CB:41.642 } :: atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } atom: 1100 125F-HB3 B 2.795 ambi=2 { CB:41.642 } ::sumAvg: 4.68 atom: 1099 125F-HB2 B 3.439 ambi=2 { CB:41.642 } atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } :: atom: 1100 125F-HB3 B 2.795 ambi=2 { CB:41.642 } atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } :: atom: 1099 125F-HB2 B 3.439 ambi=2 { CB:41.642 } atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } :: atom: 1100 125F-HB3 B 2.795 ambi=2 { CB:41.642 } atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } ::sumAvg: 4.68 atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } :: atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } ::sumAvg: 3.69 atom: 1103 125F-QE E 7.122 ambi=3 { CE1:130.48 } atom: 1084 123N-HB2 B 1.683 ambi=2 { CB:39.77 } :: atom: 1103 125F-QE E 7.122 ambi=3 { CE1:130.48 } atom: 1085 123N-HB3 B 1.451 ambi=2 { CB:39.77 } ::sumAvg: 4.795 atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } atom: 1098 125F-HA A 4.994 ambi=1 { CA:55.703 } :: atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } atom: 1098 125F-HA A 4.994 ambi=1 { CA:55.703 } ::sumAvg: 4.415 atom: 1098 125F-HA A 4.994 ambi=1 { CA:55.703 } atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } :: atom: 1098 125F-HA A 4.994 ambi=1 { CA:55.703 } atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } ::sumAvg: 4.415 atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } :: atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } ::sumAvg: 4.755 atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } atom: 1093 124G-HA2 A 3.826 ambi=2 { CA:46.633 } :: atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } atom: 1094 124G-HA3 A 3.688 ambi=2 { CA:46.633 } ::sumAvg: 4.755 atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } atom: 1097 125F-H N 7.558 ambi=1 { N:117.637 } ::sumAvg: 4.97 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 1097 125F-H N 7.558 ambi=1 { N:117.637 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 1097 125F-H N 7.558 ambi=1 { N:117.637 } ::sumAvg: 4.655 atom: 1098 125F-HA A 4.994 ambi=1 { CA:55.703 } atom: 1112 126D-HB2 B 2.734 ambi=2 { CB:43.747 } :: atom: 1098 125F-HA A 4.994 ambi=1 { CA:55.703 } atom: 1113 126D-HB3 B 2.647 ambi=2 { CB:43.747 } ::sumAvg: 4.41 atom: 1112 126D-HB2 B 2.734 ambi=2 { CB:43.747 } atom: 1098 125F-HA A 4.994 ambi=1 { CA:55.703 } :: atom: 1113 126D-HB3 B 2.647 ambi=2 { CB:43.747 } atom: 1098 125F-HA A 4.994 ambi=1 { CA:55.703 } ::sumAvg: 4.41 atom: 1098 125F-HA A 4.994 ambi=1 { CA:55.703 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1098 125F-HA A 4.994 ambi=1 { CA:55.703 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.76 atom: 1099 125F-HB2 B 3.439 ambi=2 { CB:41.642 } atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } :: atom: 1100 125F-HB3 B 2.795 ambi=2 { CB:41.642 } atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } ::sumAvg: 4.165 atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } atom: 1099 125F-HB2 B 3.439 ambi=2 { CB:41.642 } :: atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } atom: 1100 125F-HB3 B 2.795 ambi=2 { CB:41.642 } ::sumAvg: 4.165 atom: 1099 125F-HB2 B 3.439 ambi=2 { CB:41.642 } atom: 1112 126D-HB2 B 2.734 ambi=2 { CB:43.747 } :: atom: 1099 125F-HB2 B 3.439 ambi=2 { CB:41.642 } atom: 1113 126D-HB3 B 2.647 ambi=2 { CB:43.747 } ::sumAvg: 4.965 atom: 1112 126D-HB2 B 2.734 ambi=2 { CB:43.747 } atom: 1099 125F-HB2 B 3.439 ambi=2 { CB:41.642 } :: atom: 1113 126D-HB3 B 2.647 ambi=2 { CB:43.747 } atom: 1099 125F-HB2 B 3.439 ambi=2 { CB:41.642 } ::sumAvg: 4.965 atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } atom: 1099 125F-HB2 B 3.439 ambi=2 { CB:41.642 } :: atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } atom: 1099 125F-HB2 B 3.439 ambi=2 { CB:41.642 } :: atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } atom: 1100 125F-HB3 B 2.795 ambi=2 { CB:41.642 } :: atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } atom: 1100 125F-HB3 B 2.795 ambi=2 { CB:41.642 } ::sumAvg: 4.645 atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } ::sumAvg: 4.525 atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } ::sumAvg: 4.525 atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } atom: 1385 155L-HG G 1.541 ambi=1 { CG:26.77 } ::sumAvg: 4.165 atom: 1385 155L-HG G 1.541 ambi=1 { CG:26.77 } atom: 1101 125F-QD D 7.026 ambi=3 { CD1:130.655 } ::sumAvg: 4.165 atom: 1103 125F-QE E 7.122 ambi=3 { CE1:130.48 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1103 125F-QE E 7.122 ambi=3 { CE1:130.48 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.415 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 1103 125F-QE E 7.122 ambi=3 { CE1:130.48 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 1103 125F-QE E 7.122 ambi=3 { CE1:130.48 } ::sumAvg: 4.415 atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } atom: 1110 126D-H N 8.892 ambi=1 { N:119.043 } :: atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } atom: 1110 126D-H N 8.892 ambi=1 { N:119.043 } ::sumAvg: 4.485 atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } atom: 1119 127L-HB2 B 1.865 ambi=2 { CB:42.709 } :: atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } atom: 1120 127L-HB3 B 1.704 ambi=2 { CB:42.709 } ::sumAvg: 4.72 atom: 1119 127L-HB2 B 1.865 ambi=2 { CB:42.709 } atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } :: atom: 1120 127L-HB3 B 1.704 ambi=2 { CB:42.709 } atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } ::sumAvg: 4.72 atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } :: atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } ::sumAvg: 4.16 atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1111 126D-HA A 5.061 ambi=1 { CA:53.089 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.7 atom: 1112 126D-HB2 B 2.734 ambi=2 { CB:43.747 } atom: 1118 127L-HA A 4.679 ambi=1 { CA:54.732 } :: atom: 1113 126D-HB3 B 2.647 ambi=2 { CB:43.747 } atom: 1118 127L-HA A 4.679 ambi=1 { CA:54.732 } ::sumAvg: 4.695 atom: 1112 126D-HB2 B 2.734 ambi=2 { CB:43.747 } atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } :: atom: 1112 126D-HB2 B 2.734 ambi=2 { CB:43.747 } atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } :: atom: 1113 126D-HB3 B 2.647 ambi=2 { CB:43.747 } atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } :: atom: 1113 126D-HB3 B 2.647 ambi=2 { CB:43.747 } atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } ::sumAvg: 4.135 atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } atom: 1112 126D-HB2 B 2.734 ambi=2 { CB:43.747 } :: atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } atom: 1112 126D-HB2 B 2.734 ambi=2 { CB:43.747 } :: atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } atom: 1113 126D-HB3 B 2.647 ambi=2 { CB:43.747 } :: atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } atom: 1113 126D-HB3 B 2.647 ambi=2 { CB:43.747 } ::sumAvg: 4.135 atom: 1112 126D-HB2 B 2.734 ambi=2 { CB:43.747 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1112 126D-HB2 B 2.734 ambi=2 { CB:43.747 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } :: atom: 1113 126D-HB3 B 2.647 ambi=2 { CB:43.747 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1113 126D-HB3 B 2.647 ambi=2 { CB:43.747 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.255 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 1117 127L-H N 8.789 ambi=1 { N:122.545 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 1117 127L-H N 8.789 ambi=1 { N:122.545 } ::sumAvg: 4.835 atom: 1118 127L-HA A 4.679 ambi=1 { CA:54.732 } atom: 1132 128S-QB B 3.331 ambi=2 { CB:64.42 } ::sumAvg: 4.32 atom: 1132 128S-QB B 3.331 ambi=2 { CB:64.42 } atom: 1118 127L-HA A 4.679 ambi=1 { CA:54.732 } ::sumAvg: 4.32 atom: 1118 127L-HA A 4.679 ambi=1 { CA:54.732 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1118 127L-HA A 4.679 ambi=1 { CA:54.732 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.335 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 1118 127L-HA A 4.679 ambi=1 { CA:54.732 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 1118 127L-HA A 4.679 ambi=1 { CA:54.732 } ::sumAvg: 4.335 atom: 1119 127L-HB2 B 1.865 ambi=2 { CB:42.709 } atom: 1131 128S-HA A 4.29 ambi=1 { CA:58.624 } :: atom: 1120 127L-HB3 B 1.704 ambi=2 { CB:42.709 } atom: 1131 128S-HA A 4.29 ambi=1 { CA:58.624 } ::sumAvg: 4.635 atom: 1138 129G-HA2 A 4.606 ambi=2 { CA:45.044 } atom: 1119 127L-HB2 B 1.865 ambi=2 { CB:42.709 } :: atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } atom: 1119 127L-HB2 B 1.865 ambi=2 { CB:42.709 } :: atom: 1138 129G-HA2 A 4.606 ambi=2 { CA:45.044 } atom: 1120 127L-HB3 B 1.704 ambi=2 { CB:42.709 } :: atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } atom: 1120 127L-HB3 B 1.704 ambi=2 { CB:42.709 } ::sumAvg: 4.395 atom: 1119 127L-HB2 B 1.865 ambi=2 { CB:42.709 } atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } :: atom: 1120 127L-HB3 B 1.704 ambi=2 { CB:42.709 } atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } ::sumAvg: 4.375 atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } atom: 1137 129G-H N 8.61 ambi=1 { N:111.079 } :: atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } atom: 1137 129G-H N 8.61 ambi=1 { N:111.079 } ::sumAvg: 4.035 atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } atom: 1138 129G-HA2 A 4.606 ambi=2 { CA:45.044 } :: atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } :: atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } atom: 1138 129G-HA2 A 4.606 ambi=2 { CA:45.044 } :: atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } ::sumAvg: 4.56 atom: 1138 129G-HA2 A 4.606 ambi=2 { CA:45.044 } atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } :: atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } :: atom: 1138 129G-HA2 A 4.606 ambi=2 { CA:45.044 } atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } :: atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } ::sumAvg: 4.56 atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } :: atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } ::sumAvg: 4.73 atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } :: atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 3.965 atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 1122 127L-HD1 D1 1.009 ambi=2 { CD1:24.73 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 1123 127L-HD2 D2 1.019 ambi=2 { CD2:24.886 } ::sumAvg: 3.965 atom: 1138 129G-HA2 A 4.606 ambi=2 { CA:45.044 } atom: 1130 128S-H N 8.498 ambi=1 { N:115.792 } :: atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } atom: 1130 128S-H N 8.498 ambi=1 { N:115.792 } ::sumAvg: 4.74 atom: 1131 128S-HA A 4.29 ambi=1 { CA:58.624 } atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } ::sumAvg: 4.49 atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } atom: 1131 128S-HA A 4.29 ambi=1 { CA:58.624 } ::sumAvg: 4.49 atom: 1132 128S-QB B 3.331 ambi=2 { CB:64.42 } atom: 1138 129G-HA2 A 4.606 ambi=2 { CA:45.044 } :: atom: 1132 128S-QB B 3.331 ambi=2 { CB:64.42 } atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } ::sumAvg: 4.475 atom: 1138 129G-HA2 A 4.606 ambi=2 { CA:45.044 } atom: 1132 128S-QB B 3.331 ambi=2 { CB:64.42 } :: atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } atom: 1132 128S-QB B 3.331 ambi=2 { CB:64.42 } ::sumAvg: 4.475 atom: 1132 128S-QB B 3.331 ambi=2 { CB:64.42 } atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } ::sumAvg: 4.605 atom: 1143 130E-HA A 5.128 ambi=1 { CA:55.251 } atom: 1137 129G-H N 8.61 ambi=1 { N:111.079 } ::sumAvg: 4.985 atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } atom: 1137 129G-H N 8.61 ambi=1 { N:111.079 } ::sumAvg: 4.72 atom: 1138 129G-HA2 A 4.606 ambi=2 { CA:45.044 } atom: 1143 130E-HA A 5.128 ambi=1 { CA:55.251 } :: atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } atom: 1143 130E-HA A 5.128 ambi=1 { CA:55.251 } ::sumAvg: 4.4 atom: 1138 129G-HA2 A 4.606 ambi=2 { CA:45.044 } atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } :: atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } ::sumAvg: 4.465 atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } atom: 1138 129G-HA2 A 4.606 ambi=2 { CA:45.044 } :: atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } atom: 1139 129G-HA3 A 3.751 ambi=2 { CA:45.044 } ::sumAvg: 4.465 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } ::sumAvg: 4.57 atom: 1371 154M-HB2 B 2.187 ambi=2 { CB:29.468 } atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } :: atom: 1372 154M-HB3 B 2.114 ambi=2 { CB:29.468 } atom: 1142 130E-H N 7.713 ambi=1 { N:120.251 } ::sumAvg: 4.715 atom: 1143 130E-HA A 5.128 ambi=1 { CA:55.251 } atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } ::sumAvg: 3.99 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 1143 130E-HA A 5.128 ambi=1 { CA:55.251 } ::sumAvg: 3.99 atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } ::sumAvg: 4.395 atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } atom: 1371 154M-HB2 B 2.187 ambi=2 { CB:29.468 } ::sumAvg: 4.675 atom: 1371 154M-HB2 B 2.187 ambi=2 { CB:29.468 } atom: 1144 130E-QB B 1.729 ambi=2 { CB:32.156 } ::sumAvg: 4.675 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 1152 131A-H N 8.988 ambi=1 { N:129.016 } ::sumAvg: 4.92 atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 4.41 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } ::sumAvg: 4.41 atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } ::sumAvg: 4.22 atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } ::sumAvg: 4.22 atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 4.55 atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } ::sumAvg: 4.55 atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.755 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } ::sumAvg: 4.755 atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } ::sumAvg: 4.885 atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } :: atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } ::sumAvg: 4.365 atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } :: atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } ::sumAvg: 4.365 atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } atom: 1362 153L-H N 9.429 ambi=1 { N:123.639 } ::sumAvg: 4.71 atom: 1153 131A-HA A 5.375 ambi=1 { CA:50.667 } atom: 1369 154M-H N 7.591 ambi=1 { N:119.591 } ::sumAvg: 3.74 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 4.06 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } ::sumAvg: 4.06 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } ::sumAvg: 4.625 atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } ::sumAvg: 4.625 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } ::sumAvg: 4.925 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 4.435 atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } ::sumAvg: 4.435 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } ::sumAvg: 4.38 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 1362 153L-H N 9.429 ambi=1 { N:123.639 } ::sumAvg: 4.985 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 1369 154M-H N 7.591 ambi=1 { N:119.591 } ::sumAvg: 3.635 atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 1371 154M-HB2 B 2.187 ambi=2 { CB:29.468 } :: atom: 1154 131A-HB B 1.654 ambi=1 { CB:23.42 } atom: 1372 154M-HB3 B 2.114 ambi=2 { CB:29.468 } ::sumAvg: 4.69 atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } ::sumAvg: 4.77 atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } ::sumAvg: 4.72 atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } ::sumAvg: 4.98 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } ::sumAvg: 3.805 atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } ::sumAvg: 4.675 atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } :: atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } ::sumAvg: 3.085 atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } atom: 1158 132Y-H N 9.327 ambi=1 { N:123.752 } ::sumAvg: 3.475 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 4.375 atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 4.375 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } :: atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } ::sumAvg: 4.54 atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } :: atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 4.54 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 4.26 atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } ::sumAvg: 4.26 atom: 1159 132Y-HA A 5.889 ambi=1 { CA:54.213 } atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } ::sumAvg: 4.665 atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 4.275 atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } ::sumAvg: 4.275 atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } ::sumAvg: 3.91 atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } :: atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } ::sumAvg: 3.345 atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } :: atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } atom: 1160 132Y-QB B 3.259 ambi=2 { CB:41.584 } ::sumAvg: 3.345 atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 4.39 atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 4.39 atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } ::sumAvg: 4.91 atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } ::sumAvg: 4.955 atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 4.955 atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } :: atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } ::sumAvg: 4.465 atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } :: atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 4.465 atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 1186 134I-HG2 G2 0.761 ambi=1 { CG2:18.398 } ::sumAvg: 4.33 atom: 1186 134I-HG2 G2 0.761 ambi=1 { CG2:18.398 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 4.33 atom: 1187 134I-HD1 D1 0.573 ambi=1 { CD1:13.41 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 3.875 atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 4.905 atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } ::sumAvg: 4.905 atom: 1162 132Y-QD D 6.848 ambi=3 { CD1:131.342 } atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } ::sumAvg: 4.085 atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } :: atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } ::sumAvg: 4.745 atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } :: atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } ::sumAvg: 4.745 atom: 1186 134I-HG2 G2 0.761 ambi=1 { CG2:18.398 } atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } ::sumAvg: 4.62 atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } :: atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } ::sumAvg: 4.495 atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } :: atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } atom: 1164 132Y-QE E 6.429 ambi=3 { CE1:118.157 } ::sumAvg: 4.495 atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } ::sumAvg: 4.905 atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } ::sumAvg: 4.72 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1171 133E-H N 9.661 ambi=1 { N:129.538 } ::sumAvg: 4.58 atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } ::sumAvg: 4.455 atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 4.455 atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } :: atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } ::sumAvg: 4.885 atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } :: atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 4.885 atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } atom: 1187 134I-HD1 D1 0.573 ambi=1 { CD1:13.41 } ::sumAvg: 4.5 atom: 1187 134I-HD1 D1 0.573 ambi=1 { CD1:13.41 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 4.5 atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 4.03 atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } ::sumAvg: 4.92 atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 2.35 atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 2.35 atom: 1347 151V-HB B 1.512 ambi=1 { CB:33.46 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 4.04 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } ::sumAvg: 3.42 atom: 1172 133E-HA A 5.089 ambi=1 { CA:54.135 } atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } ::sumAvg: 3.255 atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } :: atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } ::sumAvg: 4.465 atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } :: atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } ::sumAvg: 4.465 atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } :: atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } ::sumAvg: 4.125 atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } :: atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } ::sumAvg: 4.125 atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } atom: 1200 135Y-QE E 6.694 ambi=3 { CE1:118.861 } :: atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } atom: 1200 135Y-QE E 6.694 ambi=3 { CE1:118.861 } ::sumAvg: 3.965 atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 3.295 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } ::sumAvg: 3.295 atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } :: atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 3.45 atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } :: atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 3.27 atom: 1173 133E-HB2 B 1.54 ambi=2 { CB:31.949 } atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } :: atom: 1174 133E-HB3 B 1.413 ambi=2 { CB:31.949 } atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } ::sumAvg: 4.62 atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 4.835 atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 4.67 atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } atom: 1200 135Y-QE E 6.694 ambi=3 { CE1:118.861 } ::sumAvg: 4.58 atom: 1200 135Y-QE E 6.694 ambi=3 { CE1:118.861 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 4.58 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 4.035 atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 3.575 atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 3.575 atom: 1347 151V-HB B 1.512 ambi=1 { CB:33.46 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 4.115 atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 3.23 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1176 133E-QG G 2.0555 ambi=2 { CG:36.01 } ::sumAvg: 3.23 atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } ::sumAvg: 4.675 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } ::sumAvg: 3.08 atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } ::sumAvg: 4.635 atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } ::sumAvg: 3.895 atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } ::sumAvg: 3.685 atom: 1347 151V-HB B 1.512 ambi=1 { CB:33.46 } atom: 1181 134I-H N 8.303 ambi=1 { N:119.146 } ::sumAvg: 4.835 atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } ::sumAvg: 4.38 atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } ::sumAvg: 4.38 atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 1196 135Y-HB2 B 3.241 ambi=2 { CB:35.789 } :: atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 1197 135Y-HB3 B 2.727 ambi=2 { CB:35.789 } ::sumAvg: 4.485 atom: 1196 135Y-HB2 B 3.241 ambi=2 { CB:35.789 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } :: atom: 1197 135Y-HB3 B 2.727 ambi=2 { CB:35.789 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } ::sumAvg: 4.485 atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } ::sumAvg: 4.315 atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } atom: 1182 134I-HA A 3.993 ambi=1 { CA:60.232 } ::sumAvg: 4.315 atom: 1183 134I-HB B 1.253 ambi=1 { CB:40.936 } atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } ::sumAvg: 3.935 atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } :: atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } ::sumAvg: 3.9 atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } :: atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } ::sumAvg: 4.255 atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } :: atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } ::sumAvg: 4.255 atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 1184 134I-HG12 G1 0.48 ambi=2 { CG1:27.65 } :: atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 1185 134I-HG13 G1 0.465 ambi=2 { CG1:27.65 } ::sumAvg: 4.83 atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } atom: 1186 134I-HG2 G2 0.761 ambi=1 { CG2:18.398 } ::sumAvg: 4.645 atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } atom: 1186 134I-HG2 G2 0.761 ambi=1 { CG2:18.398 } ::sumAvg: 4.245 atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 1186 134I-HG2 G2 0.761 ambi=1 { CG2:18.398 } ::sumAvg: 3.745 atom: 1187 134I-HD1 D1 0.573 ambi=1 { CD1:13.41 } atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } ::sumAvg: 3.96 atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 1187 134I-HD1 D1 0.573 ambi=1 { CD1:13.41 } ::sumAvg: 3.62 atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } atom: 1208 136L-HA A 3.873 ambi=1 { CA:58.365 } ::sumAvg: 4.72 atom: 1208 136L-HA A 3.873 ambi=1 { CA:58.365 } atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } ::sumAvg: 4.72 atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } atom: 1209 136L-HB2 B 1.674 ambi=2 { CB:42.276 } :: atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } atom: 1210 136L-HB3 B 1.443 ambi=2 { CB:42.276 } ::sumAvg: 4.58 atom: 1209 136L-HB2 B 1.674 ambi=2 { CB:42.276 } atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } :: atom: 1210 136L-HB3 B 1.443 ambi=2 { CB:42.276 } atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } ::sumAvg: 4.58 atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } atom: 1212 136L-HD1 D1 0.802 ambi=2 { CD1:24.73 } :: atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } ::sumAvg: 4.3 atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } atom: 1220 137D-H N 7.495 ambi=1 { N:113.089 } ::sumAvg: 4.765 atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 3.735 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 1195 135Y-HA A 5.025 ambi=1 { CA:56.721 } ::sumAvg: 3.735 atom: 1196 135Y-HB2 B 3.241 ambi=2 { CB:35.789 } atom: 1208 136L-HA A 3.873 ambi=1 { CA:58.365 } :: atom: 1197 135Y-HB3 B 2.727 ambi=2 { CB:35.789 } atom: 1208 136L-HA A 3.873 ambi=1 { CA:58.365 } ::sumAvg: 4.675 atom: 1208 136L-HA A 3.873 ambi=1 { CA:58.365 } atom: 1196 135Y-HB2 B 3.241 ambi=2 { CB:35.789 } :: atom: 1208 136L-HA A 3.873 ambi=1 { CA:58.365 } atom: 1197 135Y-HB3 B 2.727 ambi=2 { CB:35.789 } ::sumAvg: 4.675 atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } atom: 1209 136L-HB2 B 1.674 ambi=2 { CB:42.276 } :: atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } atom: 1210 136L-HB3 B 1.443 ambi=2 { CB:42.276 } ::sumAvg: 4.995 atom: 1209 136L-HB2 B 1.674 ambi=2 { CB:42.276 } atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } :: atom: 1210 136L-HB3 B 1.443 ambi=2 { CB:42.276 } atom: 1198 135Y-QD D 6.995 ambi=3 { CD1:132.406 } ::sumAvg: 4.995 atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } atom: 1207 136L-H N 7.441 ambi=1 { N:122.467 } ::sumAvg: 4.175 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 1207 136L-H N 7.441 ambi=1 { N:122.467 } ::sumAvg: 4.97 atom: 1208 136L-HA A 3.873 ambi=1 { CA:58.365 } atom: 1221 137D-HA A 5.104 ambi=1 { CA:52.57 } ::sumAvg: 4.555 atom: 1221 137D-HA A 5.104 ambi=1 { CA:52.57 } atom: 1208 136L-HA A 3.873 ambi=1 { CA:58.365 } ::sumAvg: 4.555 atom: 1208 136L-HA A 3.873 ambi=1 { CA:58.365 } atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } :: atom: 1208 136L-HA A 3.873 ambi=1 { CA:58.365 } atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } ::sumAvg: 4.935 atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } atom: 1208 136L-HA A 3.873 ambi=1 { CA:58.365 } :: atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } atom: 1208 136L-HA A 3.873 ambi=1 { CA:58.365 } ::sumAvg: 4.935 atom: 1209 136L-HB2 B 1.674 ambi=2 { CB:42.276 } atom: 1221 137D-HA A 5.104 ambi=1 { CA:52.57 } :: atom: 1210 136L-HB3 B 1.443 ambi=2 { CB:42.276 } atom: 1221 137D-HA A 5.104 ambi=1 { CA:52.57 } ::sumAvg: 4.88 atom: 1221 137D-HA A 5.104 ambi=1 { CA:52.57 } atom: 1209 136L-HB2 B 1.674 ambi=2 { CB:42.276 } :: atom: 1221 137D-HA A 5.104 ambi=1 { CA:52.57 } atom: 1210 136L-HB3 B 1.443 ambi=2 { CB:42.276 } ::sumAvg: 4.88 atom: 1209 136L-HB2 B 1.674 ambi=2 { CB:42.276 } atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } :: atom: 1209 136L-HB2 B 1.674 ambi=2 { CB:42.276 } atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } :: atom: 1210 136L-HB3 B 1.443 ambi=2 { CB:42.276 } atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } :: atom: 1210 136L-HB3 B 1.443 ambi=2 { CB:42.276 } atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } ::sumAvg: 4.73 atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } atom: 1209 136L-HB2 B 1.674 ambi=2 { CB:42.276 } :: atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } atom: 1209 136L-HB2 B 1.674 ambi=2 { CB:42.276 } :: atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } atom: 1210 136L-HB3 B 1.443 ambi=2 { CB:42.276 } :: atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } atom: 1210 136L-HB3 B 1.443 ambi=2 { CB:42.276 } ::sumAvg: 4.73 atom: 1211 136L-HG G 1.54 ambi=1 { CG:26.77 } atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } :: atom: 1211 136L-HG G 1.54 ambi=1 { CG:26.77 } atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } ::sumAvg: 4.76 atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } atom: 1211 136L-HG G 1.54 ambi=1 { CG:26.77 } :: atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } atom: 1211 136L-HG G 1.54 ambi=1 { CG:26.77 } ::sumAvg: 4.76 atom: 1211 136L-HG G 1.54 ambi=1 { CG:26.77 } atom: 1322 148R-HB2 B 2.14 ambi=2 { CB:32.593 } :: atom: 1211 136L-HG G 1.54 ambi=1 { CG:26.77 } atom: 1323 148R-HB3 B 2.07 ambi=2 { CB:32.593 } ::sumAvg: 4.96 atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } atom: 1211 136L-HG G 1.54 ambi=1 { CG:26.77 } ::sumAvg: 4.99 atom: 1221 137D-HA A 5.104 ambi=1 { CA:52.57 } atom: 1212 136L-HD1 D1 0.802 ambi=2 { CD1:24.73 } :: atom: 1221 137D-HA A 5.104 ambi=1 { CA:52.57 } atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } ::sumAvg: 4.76 atom: 1212 136L-HD1 D1 0.802 ambi=2 { CD1:24.73 } atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } :: atom: 1212 136L-HD1 D1 0.802 ambi=2 { CD1:24.73 } atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } :: atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } :: atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } ::sumAvg: 3.75 atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } atom: 1212 136L-HD1 D1 0.802 ambi=2 { CD1:24.73 } :: atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } atom: 1212 136L-HD1 D1 0.802 ambi=2 { CD1:24.73 } :: atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } :: atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } ::sumAvg: 3.75 atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } atom: 1212 136L-HD1 D1 0.802 ambi=2 { CD1:24.73 } :: atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } ::sumAvg: 4.65 atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } ::sumAvg: 4.31 atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } ::sumAvg: 4.31 atom: 1212 136L-HD1 D1 0.802 ambi=2 { CD1:24.73 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } :: atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } ::sumAvg: 4.06 atom: 1212 136L-HD1 D1 0.802 ambi=2 { CD1:24.73 } atom: 1322 148R-HB2 B 2.14 ambi=2 { CB:32.593 } :: atom: 1212 136L-HD1 D1 0.802 ambi=2 { CD1:24.73 } atom: 1323 148R-HB3 B 2.07 ambi=2 { CB:32.593 } :: atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } atom: 1322 148R-HB2 B 2.14 ambi=2 { CB:32.593 } :: atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } atom: 1323 148R-HB3 B 2.07 ambi=2 { CB:32.593 } ::sumAvg: 3.86 atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 1212 136L-HD1 D1 0.802 ambi=2 { CD1:24.73 } :: atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 1213 136L-HD2 D2 0.76 ambi=2 { CD2:18.394 } ::sumAvg: 4.32 atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } atom: 1220 137D-H N 7.495 ambi=1 { N:113.089 } :: atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } atom: 1220 137D-H N 7.495 ambi=1 { N:113.089 } ::sumAvg: 4.56 atom: 1221 137D-HA A 5.104 ambi=1 { CA:52.57 } atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } :: atom: 1221 137D-HA A 5.104 ambi=1 { CA:52.57 } atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } ::sumAvg: 4.85 atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } atom: 1221 137D-HA A 5.104 ambi=1 { CA:52.57 } :: atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } atom: 1221 137D-HA A 5.104 ambi=1 { CA:52.57 } ::sumAvg: 4.85 atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } :: atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } ::sumAvg: 4.68 atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } :: atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } ::sumAvg: 4.68 atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } :: atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } ::sumAvg: 4.845 atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } atom: 1222 137D-HB2 B 2.859 ambi=2 { CB:45.972 } :: atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } atom: 1223 137D-HB3 B 2.495 ambi=2 { CB:45.972 } ::sumAvg: 4.845 atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } atom: 1227 138N-H N 8.969 ambi=1 { N:119.704 } ::sumAvg: 3.735 atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1227 138N-H N 8.969 ambi=1 { N:119.704 } ::sumAvg: 4.73 atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } atom: 1236 139P-HA A 4.503 ambi=1 { CA:64.16 } ::sumAvg: 4.475 atom: 1236 139P-HA A 4.503 ambi=1 { CA:64.16 } atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } ::sumAvg: 4.475 atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } :: atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } atom: 1238 139P-HB3 B 2.114 ambi=2 { CB:31.81 } ::sumAvg: 4.955 atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } :: atom: 1238 139P-HB3 B 2.114 ambi=2 { CB:31.81 } atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } ::sumAvg: 4.955 atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } ::sumAvg: 3.805 atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } ::sumAvg: 3.805 atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } ::sumAvg: 1.985 atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } ::sumAvg: 1.985 atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } :: atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } ::sumAvg: 4.265 atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } :: atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } atom: 1228 138N-HA A 5.086 ambi=1 { CA:57.846 } ::sumAvg: 4.265 atom: 1229 138N-HB2 B 2.971 ambi=2 { CB:39.595 } atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } :: atom: 1230 138N-HB3 B 2.863 ambi=2 { CB:39.595 } atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } ::sumAvg: 4.555 atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } atom: 1229 138N-HB2 B 2.971 ambi=2 { CB:39.595 } :: atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } atom: 1230 138N-HB3 B 2.863 ambi=2 { CB:39.595 } ::sumAvg: 4.555 atom: 1229 138N-HB2 B 2.971 ambi=2 { CB:39.595 } atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } :: atom: 1230 138N-HB3 B 2.863 ambi=2 { CB:39.595 } atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } ::sumAvg: 3.06 atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } atom: 1229 138N-HB2 B 2.971 ambi=2 { CB:39.595 } :: atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } atom: 1230 138N-HB3 B 2.863 ambi=2 { CB:39.595 } ::sumAvg: 3.06 atom: 1229 138N-HB2 B 2.971 ambi=2 { CB:39.595 } atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } :: atom: 1230 138N-HB3 B 2.863 ambi=2 { CB:39.595 } atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } ::sumAvg: 4.785 atom: 1229 138N-HB2 B 2.971 ambi=2 { CB:39.595 } atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } :: atom: 1230 138N-HB3 B 2.863 ambi=2 { CB:39.595 } atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } ::sumAvg: 4.94 atom: 1258 141E-QG G 2.1485 ambi=2 { CG:35.465 } atom: 1231 138N-HD21 D2 7.85 ambi=2 {attached_atom is not_assigned} :: atom: 1258 141E-QG G 2.1485 ambi=2 { CG:35.465 } atom: 1232 138N-HD22 D2 7.18 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.435 atom: 1236 139P-HA A 4.503 ambi=1 { CA:64.16 } atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } ::sumAvg: 4.265 atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } atom: 1236 139P-HA A 4.503 ambi=1 { CA:64.16 } ::sumAvg: 4.265 atom: 1236 139P-HA A 4.503 ambi=1 { CA:64.16 } atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } ::sumAvg: 3.595 atom: 1236 139P-HA A 4.503 ambi=1 { CA:64.16 } atom: 1263 142T-H N 7.305 ambi=1 { N:117.109 } ::sumAvg: 4.14 atom: 1236 139P-HA A 4.503 ambi=1 { CA:64.16 } atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } ::sumAvg: 3.38 atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1236 139P-HA A 4.503 ambi=1 { CA:64.16 } ::sumAvg: 3.38 atom: 1236 139P-HA A 4.503 ambi=1 { CA:64.16 } atom: 1311 147L-HG G 1.59 ambi=1 { CG:26.659 } ::sumAvg: 4.015 atom: 1311 147L-HG G 1.59 ambi=1 { CG:26.659 } atom: 1236 139P-HA A 4.503 ambi=1 { CA:64.16 } ::sumAvg: 4.015 atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } atom: 1248 140A-HA A 4.295 ambi=1 { CA:53.52 } :: atom: 1238 139P-HB3 B 2.114 ambi=2 { CB:31.81 } atom: 1248 140A-HA A 4.295 ambi=1 { CA:53.52 } ::sumAvg: 4.38 atom: 1248 140A-HA A 4.295 ambi=1 { CA:53.52 } atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } :: atom: 1248 140A-HA A 4.295 ambi=1 { CA:53.52 } atom: 1238 139P-HB3 B 2.114 ambi=2 { CB:31.81 } ::sumAvg: 4.38 atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } :: atom: 1238 139P-HB3 B 2.114 ambi=2 { CB:31.81 } atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } ::sumAvg: 3.285 atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } :: atom: 1238 139P-HB3 B 2.114 ambi=2 { CB:31.81 } atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } ::sumAvg: 4.08 atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } atom: 1263 142T-H N 7.305 ambi=1 { N:117.109 } :: atom: 1238 139P-HB3 B 2.114 ambi=2 { CB:31.81 } atom: 1263 142T-H N 7.305 ambi=1 { N:117.109 } ::sumAvg: 4.98 atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } :: atom: 1238 139P-HB3 B 2.114 ambi=2 { CB:31.81 } atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } ::sumAvg: 4.195 atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } :: atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1238 139P-HB3 B 2.114 ambi=2 { CB:31.81 } ::sumAvg: 4.195 atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } atom: 1309 147L-HB2 B 1.777 ambi=2 { CB:42.795 } :: atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } atom: 1310 147L-HB3 B 1.48 ambi=2 { CB:42.795 } :: atom: 1238 139P-HB3 B 2.114 ambi=2 { CB:31.81 } atom: 1310 147L-HB3 B 1.48 ambi=2 { CB:42.795 } ::sumAvg: 4.73 atom: 1309 147L-HB2 B 1.777 ambi=2 { CB:42.795 } atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } :: atom: 1310 147L-HB3 B 1.48 ambi=2 { CB:42.795 } atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } :: atom: 1310 147L-HB3 B 1.48 ambi=2 { CB:42.795 } atom: 1238 139P-HB3 B 2.114 ambi=2 { CB:31.81 } ::sumAvg: 4.73 atom: 1311 147L-HG G 1.59 ambi=1 { CG:26.659 } atom: 1237 139P-HB2 B 2.308 ambi=2 { CB:31.81 } :: atom: 1311 147L-HG G 1.59 ambi=1 { CG:26.659 } atom: 1238 139P-HB3 B 2.114 ambi=2 { CB:31.81 } ::sumAvg: 4.44 atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } ::sumAvg: 4.12 atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } ::sumAvg: 4.12 atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } ::sumAvg: 4.13 atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } atom: 1263 142T-H N 7.305 ambi=1 { N:117.109 } ::sumAvg: 4.6 atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } ::sumAvg: 4.22 atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } ::sumAvg: 4.22 atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } :: atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } ::sumAvg: 3.335 atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } :: atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } atom: 1240 139P-QG G 1.925 ambi=2 { CG:26.516 } ::sumAvg: 3.335 atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } ::sumAvg: 4.76 atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } ::sumAvg: 4.76 atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } ::sumAvg: 4.215 atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } ::sumAvg: 4.96 atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } atom: 1311 147L-HG G 1.59 ambi=1 { CG:26.659 } ::sumAvg: 4.27 atom: 1311 147L-HG G 1.59 ambi=1 { CG:26.659 } atom: 1242 139P-QD D 3.633 ambi=2 { CD:49.981 } ::sumAvg: 4.27 atom: 1248 140A-HA A 4.295 ambi=1 { CA:53.52 } atom: 1263 142T-H N 7.305 ambi=1 { N:117.109 } ::sumAvg: 4.48 atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } atom: 1254 141E-HA A 4.546 ambi=1 { CA:55.379 } ::sumAvg: 4.375 atom: 1254 141E-HA A 4.546 ambi=1 { CA:55.379 } atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } ::sumAvg: 4.375 atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } atom: 1255 141E-HB2 B 2.201 ambi=2 { CB:32.386 } :: atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } atom: 1256 141E-HB3 B 1.887 ambi=2 { CB:32.386 } ::sumAvg: 4.14 atom: 1255 141E-HB2 B 2.201 ambi=2 { CB:32.386 } atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } :: atom: 1256 141E-HB3 B 1.887 ambi=2 { CB:32.386 } atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } ::sumAvg: 4.14 atom: 1249 140A-HB B 1.422 ambi=1 { CB:18.749 } atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } ::sumAvg: 4.985 atom: 1264 142T-HA A 4.309 ambi=1 { CA:62.084 } atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } ::sumAvg: 4.87 atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } ::sumAvg: 3.915 atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } :: atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } atom: 1253 141E-H N 7.532 ambi=1 { N:113.667 } ::sumAvg: 4.16 atom: 1254 141E-HA A 4.546 ambi=1 { CA:55.379 } atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } ::sumAvg: 4.865 atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1254 141E-HA A 4.546 ambi=1 { CA:55.379 } ::sumAvg: 4.865 atom: 1254 141E-HA A 4.546 ambi=1 { CA:55.379 } atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } ::sumAvg: 4.95 atom: 1255 141E-HB2 B 2.201 ambi=2 { CB:32.386 } atom: 1264 142T-HA A 4.309 ambi=1 { CA:62.084 } :: atom: 1256 141E-HB3 B 1.887 ambi=2 { CB:32.386 } atom: 1264 142T-HA A 4.309 ambi=1 { CA:62.084 } ::sumAvg: 4.415 atom: 1255 141E-HB2 B 2.201 ambi=2 { CB:32.386 } atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } :: atom: 1256 141E-HB3 B 1.887 ambi=2 { CB:32.386 } atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } ::sumAvg: 4.205 atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1255 141E-HB2 B 2.201 ambi=2 { CB:32.386 } :: atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1256 141E-HB3 B 1.887 ambi=2 { CB:32.386 } ::sumAvg: 4.205 atom: 1258 141E-QG G 2.1485 ambi=2 { CG:35.465 } atom: 1264 142T-HA A 4.309 ambi=1 { CA:62.084 } ::sumAvg: 4.91 atom: 1264 142T-HA A 4.309 ambi=1 { CA:62.084 } atom: 1258 141E-QG G 2.1485 ambi=2 { CG:35.465 } ::sumAvg: 4.91 atom: 1258 141E-QG G 2.1485 ambi=2 { CG:35.465 } atom: 1265 142T-HB B 3.529 ambi=1 { CB:70.671 } ::sumAvg: 4.965 atom: 1265 142T-HB B 3.529 ambi=1 { CB:70.671 } atom: 1258 141E-QG G 2.1485 ambi=2 { CG:35.465 } ::sumAvg: 4.965 atom: 1258 141E-QG G 2.1485 ambi=2 { CG:35.465 } atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } ::sumAvg: 4.12 atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1258 141E-QG G 2.1485 ambi=2 { CG:35.465 } ::sumAvg: 4.12 atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } atom: 1263 142T-H N 7.305 ambi=1 { N:117.109 } ::sumAvg: 4.975 atom: 1265 142T-HB B 3.529 ambi=1 { CB:70.671 } atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } ::sumAvg: 4.45 atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } atom: 1265 142T-HB B 3.529 ambi=1 { CB:70.671 } ::sumAvg: 4.45 atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1272 143A-HA A 4.407 ambi=1 { CA:50.84 } ::sumAvg: 4.945 atom: 1272 143A-HA A 4.407 ambi=1 { CA:50.84 } atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } ::sumAvg: 4.945 atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } ::sumAvg: 4.99 atom: 1266 142T-HG2 G2 1.187 ambi=1 { CG2:21.258 } atom: 1309 147L-HB2 B 1.777 ambi=2 { CB:42.795 } ::sumAvg: 4.115 atom: 1277 144P-HA A 4.066 ambi=1 { CA:65.025 } atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } ::sumAvg: 4.965 atom: 1282 144P-HD2 D 3.846 ambi=2 { CD:49.917 } atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } :: atom: 1283 144P-HD3 D 3.75 ambi=2 { CD:49.917 } atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } ::sumAvg: 3.98 atom: 1297 146Q-HB2 B 2.255 ambi=2 { CB:30.333 } atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } :: atom: 1298 146Q-HB3 B 1.645 ambi=2 { CB:30.333 } atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } ::sumAvg: 4.645 atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } :: atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } atom: 1271 143A-H N 8.673 ambi=1 { N:130.943 } ::sumAvg: 3.79 atom: 1272 143A-HA A 4.407 ambi=1 { CA:50.84 } atom: 1281 144P-QG G 2.088 ambi=2 { CG:27.14 } ::sumAvg: 3.885 atom: 1281 144P-QG G 2.088 ambi=2 { CG:27.14 } atom: 1272 143A-HA A 4.407 ambi=1 { CA:50.84 } ::sumAvg: 3.885 atom: 1272 143A-HA A 4.407 ambi=1 { CA:50.84 } atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } :: atom: 1272 143A-HA A 4.407 ambi=1 { CA:50.84 } atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } ::sumAvg: 4.85 atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } atom: 1272 143A-HA A 4.407 ambi=1 { CA:50.84 } :: atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } atom: 1272 143A-HA A 4.407 ambi=1 { CA:50.84 } ::sumAvg: 4.85 atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } atom: 1277 144P-HA A 4.066 ambi=1 { CA:65.025 } ::sumAvg: 4.455 atom: 1277 144P-HA A 4.066 ambi=1 { CA:65.025 } atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } ::sumAvg: 4.455 atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } atom: 1278 144P-HB2 B 2.326 ambi=2 { CB:31.81 } :: atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } atom: 1279 144P-HB3 B 1.966 ambi=2 { CB:31.81 } ::sumAvg: 4.95 atom: 1278 144P-HB2 B 2.326 ambi=2 { CB:31.81 } atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } :: atom: 1279 144P-HB3 B 1.966 ambi=2 { CB:31.81 } atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } ::sumAvg: 4.95 atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } atom: 1281 144P-QG G 2.088 ambi=2 { CG:27.14 } ::sumAvg: 4.125 atom: 1281 144P-QG G 2.088 ambi=2 { CG:27.14 } atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } ::sumAvg: 4.125 atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } atom: 1290 145D-HB2 B 2.675 ambi=2 { CB:39.787 } :: atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } atom: 1291 145D-HB3 B 2.599 ambi=2 { CB:39.787 } ::sumAvg: 4.425 atom: 1290 145D-HB2 B 2.675 ambi=2 { CB:39.787 } atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } :: atom: 1291 145D-HB3 B 2.599 ambi=2 { CB:39.787 } atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } ::sumAvg: 4.425 atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } atom: 1301 146Q-HE21 E2 7.358 ambi=2 {attached_atom is not_assigned} :: atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } atom: 1302 146Q-HE22 E2 6.922 ambi=2 {attached_atom is not_assigned} ::sumAvg: 3.57 atom: 1273 143A-HB B 1.372 ambi=1 { CB:17.625 } atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } ::sumAvg: 4.84 atom: 1277 144P-HA A 4.066 ambi=1 { CA:65.025 } atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } ::sumAvg: 3.68 atom: 1277 144P-HA A 4.066 ambi=1 { CA:65.025 } atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } ::sumAvg: 3.99 atom: 1277 144P-HA A 4.066 ambi=1 { CA:65.025 } atom: 1311 147L-HG G 1.59 ambi=1 { CG:26.659 } ::sumAvg: 4.225 atom: 1311 147L-HG G 1.59 ambi=1 { CG:26.659 } atom: 1277 144P-HA A 4.066 ambi=1 { CA:65.025 } ::sumAvg: 4.225 atom: 1278 144P-HB2 B 2.326 ambi=2 { CB:31.81 } atom: 1289 145D-HA A 4.243 ambi=1 { CA:54.491 } :: atom: 1279 144P-HB3 B 1.966 ambi=2 { CB:31.81 } atom: 1289 145D-HA A 4.243 ambi=1 { CA:54.491 } ::sumAvg: 4.515 atom: 1289 145D-HA A 4.243 ambi=1 { CA:54.491 } atom: 1278 144P-HB2 B 2.326 ambi=2 { CB:31.81 } :: atom: 1289 145D-HA A 4.243 ambi=1 { CA:54.491 } atom: 1279 144P-HB3 B 1.966 ambi=2 { CB:31.81 } ::sumAvg: 4.515 atom: 1279 144P-HB3 B 1.966 ambi=2 { CB:31.81 } atom: 1290 145D-HB2 B 2.675 ambi=2 { CB:39.787 } :: atom: 1279 144P-HB3 B 1.966 ambi=2 { CB:31.81 } atom: 1291 145D-HB3 B 2.599 ambi=2 { CB:39.787 } ::sumAvg: 4.305 atom: 1290 145D-HB2 B 2.675 ambi=2 { CB:39.787 } atom: 1279 144P-HB3 B 1.966 ambi=2 { CB:31.81 } :: atom: 1291 145D-HB3 B 2.599 ambi=2 { CB:39.787 } atom: 1279 144P-HB3 B 1.966 ambi=2 { CB:31.81 } ::sumAvg: 4.305 atom: 1278 144P-HB2 B 2.326 ambi=2 { CB:31.81 } atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } :: atom: 1279 144P-HB3 B 1.966 ambi=2 { CB:31.81 } atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } ::sumAvg: 4.845 atom: 1281 144P-QG G 2.088 ambi=2 { CG:27.14 } atom: 1290 145D-HB2 B 2.675 ambi=2 { CB:39.787 } :: atom: 1281 144P-QG G 2.088 ambi=2 { CG:27.14 } atom: 1291 145D-HB3 B 2.599 ambi=2 { CB:39.787 } ::sumAvg: 4.71 atom: 1290 145D-HB2 B 2.675 ambi=2 { CB:39.787 } atom: 1281 144P-QG G 2.088 ambi=2 { CG:27.14 } :: atom: 1291 145D-HB3 B 2.599 ambi=2 { CB:39.787 } atom: 1281 144P-QG G 2.088 ambi=2 { CG:27.14 } ::sumAvg: 4.71 atom: 1282 144P-HD2 D 3.846 ambi=2 { CD:49.917 } atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } :: atom: 1283 144P-HD3 D 3.75 ambi=2 { CD:49.917 } atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } ::sumAvg: 4.86 atom: 1309 147L-HB2 B 1.777 ambi=2 { CB:42.795 } atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } :: atom: 1310 147L-HB3 B 1.48 ambi=2 { CB:42.795 } atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } ::sumAvg: 4.805 atom: 1311 147L-HG G 1.59 ambi=1 { CG:26.659 } atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } ::sumAvg: 4.805 atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } :: atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } atom: 1288 145D-H N 7.939 ambi=1 { N:108.531 } ::sumAvg: 4.005 atom: 1289 145D-HA A 4.243 ambi=1 { CA:54.491 } atom: 1307 147L-H N 6.617 ambi=1 { N:121.56 } ::sumAvg: 3.71 atom: 1290 145D-HB2 B 2.675 ambi=2 { CB:39.787 } atom: 1296 146Q-HA A 4.176 ambi=1 { CA:54.162 } :: atom: 1291 145D-HB3 B 2.599 ambi=2 { CB:39.787 } atom: 1296 146Q-HA A 4.176 ambi=1 { CA:54.162 } ::sumAvg: 4.705 atom: 1296 146Q-HA A 4.176 ambi=1 { CA:54.162 } atom: 1290 145D-HB2 B 2.675 ambi=2 { CB:39.787 } :: atom: 1296 146Q-HA A 4.176 ambi=1 { CA:54.162 } atom: 1291 145D-HB3 B 2.599 ambi=2 { CB:39.787 } ::sumAvg: 4.705 atom: 1290 145D-HB2 B 2.675 ambi=2 { CB:39.787 } atom: 1300 146Q-QG G 2.1855 ambi=2 { CG:33.463 } :: atom: 1291 145D-HB3 B 2.599 ambi=2 { CB:39.787 } atom: 1300 146Q-QG G 2.1855 ambi=2 { CG:33.463 } ::sumAvg: 4.325 atom: 1300 146Q-QG G 2.1855 ambi=2 { CG:33.463 } atom: 1290 145D-HB2 B 2.675 ambi=2 { CB:39.787 } :: atom: 1300 146Q-QG G 2.1855 ambi=2 { CG:33.463 } atom: 1291 145D-HB3 B 2.599 ambi=2 { CB:39.787 } ::sumAvg: 4.325 atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } ::sumAvg: 4.505 atom: 1311 147L-HG G 1.59 ambi=1 { CG:26.659 } atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } ::sumAvg: 4.78 atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } :: atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } atom: 1295 146Q-H N 7.755 ambi=1 { N:116.033 } ::sumAvg: 4.145 atom: 1297 146Q-HB2 B 2.255 ambi=2 { CB:30.333 } atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } :: atom: 1298 146Q-HB3 B 1.645 ambi=2 { CB:30.333 } atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } ::sumAvg: 4.66 atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } atom: 1297 146Q-HB2 B 2.255 ambi=2 { CB:30.333 } :: atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } atom: 1298 146Q-HB3 B 1.645 ambi=2 { CB:30.333 } ::sumAvg: 4.66 atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } atom: 1300 146Q-QG G 2.1855 ambi=2 { CG:33.463 } ::sumAvg: 4.71 atom: 1300 146Q-QG G 2.1855 ambi=2 { CG:33.463 } atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } :: atom: 1300 146Q-QG G 2.1855 ambi=2 { CG:33.463 } atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } ::sumAvg: 4.66 atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } atom: 1300 146Q-QG G 2.1855 ambi=2 { CG:33.463 } :: atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } atom: 1300 146Q-QG G 2.1855 ambi=2 { CG:33.463 } ::sumAvg: 4.66 atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } ::sumAvg: 4.49 atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } ::sumAvg: 4.49 atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } atom: 1322 148R-HB2 B 2.14 ambi=2 { CB:32.593 } :: atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } atom: 1323 148R-HB3 B 2.07 ambi=2 { CB:32.593 } ::sumAvg: 4.78 atom: 1322 148R-HB2 B 2.14 ambi=2 { CB:32.593 } atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } :: atom: 1323 148R-HB3 B 2.07 ambi=2 { CB:32.593 } atom: 1308 147L-HA A 3.83 ambi=1 { CA:56.149 } ::sumAvg: 4.78 atom: 1309 147L-HB2 B 1.777 ambi=2 { CB:42.795 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } :: atom: 1310 147L-HB3 B 1.48 ambi=2 { CB:42.795 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } ::sumAvg: 4.62 atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 1309 147L-HB2 B 1.777 ambi=2 { CB:42.795 } :: atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 1310 147L-HB3 B 1.48 ambi=2 { CB:42.795 } ::sumAvg: 4.62 atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } :: atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } ::sumAvg: 4.7 atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 1312 147L-HD1 D1 1.182 ambi=2 { CD1:24.056 } :: atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 1313 147L-HD2 D2 0.673 ambi=2 { CD2:25.217 } ::sumAvg: 4.7 atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } ::sumAvg: 4.735 atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } ::sumAvg: 4.735 atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 4.97 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 1321 148R-HA A 5.254 ambi=1 { CA:55.424 } ::sumAvg: 4.97 atom: 1322 148R-HB2 B 2.14 ambi=2 { CB:32.593 } atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } :: atom: 1323 148R-HB3 B 2.07 ambi=2 { CB:32.593 } atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } ::sumAvg: 4.73 atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } atom: 1322 148R-HB2 B 2.14 ambi=2 { CB:32.593 } :: atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } atom: 1323 148R-HB3 B 2.07 ambi=2 { CB:32.593 } ::sumAvg: 4.73 atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } atom: 1327 149T-H N 9.399 ambi=1 { N:120.821 } ::sumAvg: 4.795 atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } ::sumAvg: 4.305 atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } ::sumAvg: 4.305 atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } ::sumAvg: 4.63 atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 1328 149T-HA A 5.098 ambi=1 { CA:62.562 } ::sumAvg: 4.63 atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } ::sumAvg: 4.985 atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } ::sumAvg: 4.985 atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1329 149T-HB B 4.108 ambi=1 { CB:72.464 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.755 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } ::sumAvg: 3.685 atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 3.685 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } ::sumAvg: 4.47 atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 4.47 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 1345 151V-H N 8.796 ambi=1 { N:130.491 } ::sumAvg: 3.76 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 4.17 atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 4.17 atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.065 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1330 149T-HG2 G2 1.122 ambi=1 { CG2:21.297 } ::sumAvg: 4.065 atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 1335 150R-H N 9.005 ambi=1 { N:126.7 } ::sumAvg: 4.835 atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 4.395 atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } ::sumAvg: 4.395 atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } atom: 1347 151V-HB B 1.512 ambi=1 { CB:33.46 } ::sumAvg: 4.67 atom: 1347 151V-HB B 1.512 ambi=1 { CB:33.46 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } ::sumAvg: 4.67 atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 3.75 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1336 150R-HA A 4.867 ambi=1 { CA:55.51 } ::sumAvg: 3.75 atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 4.535 atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } ::sumAvg: 4.535 atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1337 150R-QB B 1.58 ambi=2 { CB:30.643 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.875 atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 4.92 atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.9 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1340 150R-QG G 1.294 ambi=2 { CG:27.143 } ::sumAvg: 4.9 atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } ::sumAvg: 4.385 atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 4.385 atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } :: atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } ::sumAvg: 4.57 atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } :: atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } atom: 1346 151V-HA A 4.335 ambi=1 { CA:62.171 } ::sumAvg: 4.57 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } ::sumAvg: 3.74 atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 3.74 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } :: atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } ::sumAvg: 4.655 atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } :: atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.655 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1362 153L-H N 9.429 ambi=1 { N:123.639 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1362 153L-H N 9.429 ambi=1 { N:123.639 } ::sumAvg: 4.295 atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } :: atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } ::sumAvg: 4.185 atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } atom: 1348 151V-HG1 G1 0.715 ambi=2 { CG1:21.815 } :: atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } atom: 1349 151V-HG2 G2 0.15 ambi=2 { CG2:20.163 } ::sumAvg: 4.185 atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } atom: 1355 152S-H N 8.881 ambi=1 { N:120.075 } ::sumAvg: 4.765 atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } ::sumAvg: 4.365 atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } ::sumAvg: 4.365 atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } :: atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } ::sumAvg: 4.36 atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } :: atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } atom: 1356 152S-HA A 5.692 ambi=1 { CA:56.462 } ::sumAvg: 4.36 atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } :: atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } ::sumAvg: 4.68 atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } atom: 1357 152S-HB2 B 3.8 ambi=2 { CB:65.993 } :: atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } atom: 1358 152S-HB3 B 3.77 ambi=2 { CB:65.993 } ::sumAvg: 4.68 atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } atom: 1371 154M-HB2 B 2.187 ambi=2 { CB:29.468 } :: atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } atom: 1372 154M-HB3 B 2.114 ambi=2 { CB:29.468 } ::sumAvg: 4.69 atom: 1371 154M-HB2 B 2.187 ambi=2 { CB:29.468 } atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } :: atom: 1372 154M-HB3 B 2.114 ambi=2 { CB:29.468 } atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } ::sumAvg: 4.69 atom: 1375 154M-HE E 1.613 ambi=1 { CE:15.338 } atom: 1363 153L-HA A 4.989 ambi=1 { CA:52.873 } ::sumAvg: 4.995 atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } atom: 1371 154M-HB2 B 2.187 ambi=2 { CB:29.468 } :: atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } atom: 1372 154M-HB3 B 2.114 ambi=2 { CB:29.468 } :: atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } atom: 1371 154M-HB2 B 2.187 ambi=2 { CB:29.468 } :: atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } atom: 1372 154M-HB3 B 2.114 ambi=2 { CB:29.468 } ::sumAvg: 4.795 atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } atom: 1373 154M-HG2 G 2.735 ambi=2 { CG:31.129 } :: atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } atom: 1374 154M-HG3 G 2.715 ambi=2 { CG:31.129 } :: atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } atom: 1373 154M-HG2 G 2.735 ambi=2 { CG:31.129 } :: atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } atom: 1374 154M-HG3 G 2.715 ambi=2 { CG:31.129 } ::sumAvg: 4.99 atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } :: atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } ::sumAvg: 4.88 atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } atom: 1364 153L-HB2 B 1.714 ambi=2 { CB:42.867 } :: atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } atom: 1365 153L-HB3 B 1.649 ambi=2 { CB:42.867 } ::sumAvg: 4.88 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 1369 154M-H N 7.591 ambi=1 { N:119.591 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 1369 154M-H N 7.591 ambi=1 { N:119.591 } ::sumAvg: 4.875 atom: 1370 154M-HA A 4.727 ambi=1 { CA:54.569 } atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } ::sumAvg: 4.805 atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } atom: 1370 154M-HA A 4.727 ambi=1 { CA:54.569 } ::sumAvg: 4.805 atom: 1383 155L-HB2 B 1.567 ambi=2 { CB:42.795 } atom: 1370 154M-HA A 4.727 ambi=1 { CA:54.569 } :: atom: 1384 155L-HB3 B 1.463 ambi=2 { CB:42.795 } atom: 1370 154M-HA A 4.727 ambi=1 { CA:54.569 } ::sumAvg: 4.405 atom: 1370 154M-HA A 4.727 ambi=1 { CA:54.569 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1370 154M-HA A 4.727 ambi=1 { CA:54.569 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.245 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 1370 154M-HA A 4.727 ambi=1 { CA:54.569 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 1370 154M-HA A 4.727 ambi=1 { CA:54.569 } ::sumAvg: 4.245 atom: 1370 154M-HA A 4.727 ambi=1 { CA:54.569 } atom: 1394 156H-H N 8.689 ambi=1 { N:120.048 } ::sumAvg: 4.83 atom: 1371 154M-HB2 B 2.187 ambi=2 { CB:29.468 } atom: 1394 156H-H N 8.689 ambi=1 { N:120.048 } :: atom: 1372 154M-HB3 B 2.114 ambi=2 { CB:29.468 } atom: 1394 156H-H N 8.689 ambi=1 { N:120.048 } ::sumAvg: 4.635 atom: 1373 154M-HG2 G 2.735 ambi=2 { CG:31.129 } atom: 1427 159L-HD1 D1 0.838 ambi=2 { CD1:23.394 } :: atom: 1373 154M-HG2 G 2.735 ambi=2 { CG:31.129 } atom: 1428 159L-HD2 D2 0.808 ambi=2 { CD2:23.343 } :: atom: 1374 154M-HG3 G 2.715 ambi=2 { CG:31.129 } atom: 1427 159L-HD1 D1 0.838 ambi=2 { CD1:23.394 } :: atom: 1374 154M-HG3 G 2.715 ambi=2 { CG:31.129 } atom: 1428 159L-HD2 D2 0.808 ambi=2 { CD2:23.343 } ::sumAvg: 4.695 atom: 1375 154M-HE E 1.613 ambi=1 { CE:15.338 } atom: 1427 159L-HD1 D1 0.838 ambi=2 { CD1:23.394 } :: atom: 1375 154M-HE E 1.613 ambi=1 { CE:15.338 } atom: 1428 159L-HD2 D2 0.808 ambi=2 { CD2:23.343 } ::sumAvg: 4.095 atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } ::sumAvg: 4.555 atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } ::sumAvg: 4.555 atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } atom: 1396 156H-HB2 B 3.003 ambi=2 { CB:31.118 } :: atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } atom: 1397 156H-HB3 B 2.747 ambi=2 { CB:31.118 } ::sumAvg: 4.99 atom: 1396 156H-HB2 B 3.003 ambi=2 { CB:31.118 } atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } :: atom: 1397 156H-HB3 B 2.747 ambi=2 { CB:31.118 } atom: 1382 155L-HA A 5.137 ambi=1 { CA:53.809 } ::sumAvg: 4.99 atom: 1383 155L-HB2 B 1.567 ambi=2 { CB:42.795 } atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } :: atom: 1384 155L-HB3 B 1.463 ambi=2 { CB:42.795 } atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } ::sumAvg: 4.49 atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } atom: 1383 155L-HB2 B 1.567 ambi=2 { CB:42.795 } :: atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } atom: 1384 155L-HB3 B 1.463 ambi=2 { CB:42.795 } ::sumAvg: 4.49 atom: 1383 155L-HB2 B 1.567 ambi=2 { CB:42.795 } atom: 1396 156H-HB2 B 3.003 ambi=2 { CB:31.118 } :: atom: 1383 155L-HB2 B 1.567 ambi=2 { CB:42.795 } atom: 1397 156H-HB3 B 2.747 ambi=2 { CB:31.118 } :: atom: 1384 155L-HB3 B 1.463 ambi=2 { CB:42.795 } atom: 1396 156H-HB2 B 3.003 ambi=2 { CB:31.118 } :: atom: 1384 155L-HB3 B 1.463 ambi=2 { CB:42.795 } atom: 1397 156H-HB3 B 2.747 ambi=2 { CB:31.118 } ::sumAvg: 4.755 atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } :: atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } ::sumAvg: 4.415 atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.415 atom: 1396 156H-HB2 B 3.003 ambi=2 { CB:31.118 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1397 156H-HB3 B 2.747 ambi=2 { CB:31.118 } atom: 1386 155L-HD1 D1 0.8 ambi=2 { CD1:23.505 } :: atom: 1396 156H-HB2 B 3.003 ambi=2 { CB:31.118 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } :: atom: 1397 156H-HB3 B 2.747 ambi=2 { CB:31.118 } atom: 1387 155L-HD2 D2 0.374 ambi=2 { CD2:25.408 } ::sumAvg: 4.41 atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } atom: 1407 157E-HB2 B 2.021 ambi=2 { CB:30.859 } :: atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } atom: 1408 157E-HB3 B 1.923 ambi=2 { CB:30.859 } ::sumAvg: 4.92 atom: 1407 157E-HB2 B 2.021 ambi=2 { CB:30.859 } atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } :: atom: 1408 157E-HB3 B 1.923 ambi=2 { CB:30.859 } atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } ::sumAvg: 4.92 atom: 1395 156H-HA A 4.692 ambi=1 { CA:55.515 } atom: 1415 158S-H N 8.578 ambi=1 { N:118.075 } ::sumAvg: 4.905 atom: 1410 157E-QG G 2.227 ambi=2 { CG:36.01 } atom: 1396 156H-HB2 B 3.003 ambi=2 { CB:31.118 } :: atom: 1410 157E-QG G 2.227 ambi=2 { CG:36.01 } atom: 1397 156H-HB3 B 2.747 ambi=2 { CB:31.118 } ::sumAvg: 4.87 atom: 1416 158S-HA A 4.425 ambi=1 { CA:57.88 } atom: 1405 157E-H N 8.634 ambi=1 { N:125.081 } ::sumAvg: 4.975 atom: 1416 158S-HA A 4.425 ambi=1 { CA:57.88 } atom: 1407 157E-HB2 B 2.021 ambi=2 { CB:30.859 } :: atom: 1416 158S-HA A 4.425 ambi=1 { CA:57.88 } atom: 1408 157E-HB3 B 1.923 ambi=2 { CB:30.859 } ::sumAvg: 4.84 atom: 1410 157E-QG G 2.227 ambi=2 { CG:36.01 } atom: 1417 158S-HB2 B 3.908 ambi=2 { CB:63.728 } :: atom: 1410 157E-QG G 2.227 ambi=2 { CG:36.01 } atom: 1418 158S-HB3 B 3.844 ambi=2 { CB:63.728 } ::sumAvg: 4.955 atom: 1417 158S-HB2 B 3.908 ambi=2 { CB:63.728 } atom: 1410 157E-QG G 2.227 ambi=2 { CG:36.01 } :: atom: 1418 158S-HB3 B 3.844 ambi=2 { CB:63.728 } atom: 1410 157E-QG G 2.227 ambi=2 { CG:36.01 } ::sumAvg: 4.955 atom: 1423 159L-HA A 4.292 ambi=1 { CA:55.389 } atom: 1415 158S-H N 8.578 ambi=1 { N:118.075 } ::sumAvg: 4.965 atom: 1416 158S-HA A 4.425 ambi=1 { CA:57.88 } atom: 1424 159L-HB2 B 1.595 ambi=2 { CB:42.017 } :: atom: 1416 158S-HA A 4.425 ambi=1 { CA:57.88 } atom: 1425 159L-HB3 B 1.547 ambi=2 { CB:42.017 } ::sumAvg: 4.985 atom: 1416 158S-HA A 4.425 ambi=1 { CA:57.88 } atom: 1427 159L-HD1 D1 0.838 ambi=2 { CD1:23.394 } :: atom: 1416 158S-HA A 4.425 ambi=1 { CA:57.88 } atom: 1428 159L-HD2 D2 0.808 ambi=2 { CD2:23.343 } ::sumAvg: 4.37 atom: 1427 159L-HD1 D1 0.838 ambi=2 { CD1:23.394 } atom: 1416 158S-HA A 4.425 ambi=1 { CA:57.88 } :: atom: 1428 159L-HD2 D2 0.808 ambi=2 { CD2:23.343 } atom: 1416 158S-HA A 4.425 ambi=1 { CA:57.88 } ::sumAvg: 4.37 atom: 1416 158S-HA A 4.425 ambi=1 { CA:57.88 } atom: 1435 160E-H N 8.295 ambi=1 { N:119.987 } ::sumAvg: 4.64 atom: 1418 158S-HB3 B 3.844 ambi=2 { CB:63.728 } atom: 1423 159L-HA A 4.292 ambi=1 { CA:55.389 } ::sumAvg: 4.935 atom: 1423 159L-HA A 4.292 ambi=1 { CA:55.389 } atom: 1418 158S-HB3 B 3.844 ambi=2 { CB:63.728 } ::sumAvg: 4.935 atom: 1417 158S-HB2 B 3.908 ambi=2 { CB:63.728 } atom: 1427 159L-HD1 D1 0.838 ambi=2 { CD1:23.394 } :: atom: 1417 158S-HB2 B 3.908 ambi=2 { CB:63.728 } atom: 1428 159L-HD2 D2 0.808 ambi=2 { CD2:23.343 } :: atom: 1418 158S-HB3 B 3.844 ambi=2 { CB:63.728 } atom: 1427 159L-HD1 D1 0.838 ambi=2 { CD1:23.394 } :: atom: 1418 158S-HB3 B 3.844 ambi=2 { CB:63.728 } atom: 1428 159L-HD2 D2 0.808 ambi=2 { CD2:23.343 } ::sumAvg: 4.985 atom: 1427 159L-HD1 D1 0.838 ambi=2 { CD1:23.394 } atom: 1417 158S-HB2 B 3.908 ambi=2 { CB:63.728 } :: atom: 1428 159L-HD2 D2 0.808 ambi=2 { CD2:23.343 } atom: 1417 158S-HB2 B 3.908 ambi=2 { CB:63.728 } :: atom: 1427 159L-HD1 D1 0.838 ambi=2 { CD1:23.394 } atom: 1418 158S-HB3 B 3.844 ambi=2 { CB:63.728 } :: atom: 1428 159L-HD2 D2 0.808 ambi=2 { CD2:23.343 } atom: 1418 158S-HB3 B 3.844 ambi=2 { CB:63.728 } ::sumAvg: 4.985 atom: 1423 159L-HA A 4.292 ambi=1 { CA:55.389 } atom: 1436 160E-HA A 4.748 ambi=1 { CA:56.627 } ::sumAvg: 4.8 atom: 1436 160E-HA A 4.748 ambi=1 { CA:56.627 } atom: 1423 159L-HA A 4.292 ambi=1 { CA:55.389 } ::sumAvg: 4.8 atom: 1424 159L-HB2 B 1.595 ambi=2 { CB:42.017 } atom: 1436 160E-HA A 4.748 ambi=1 { CA:56.627 } :: atom: 1425 159L-HB3 B 1.547 ambi=2 { CB:42.017 } atom: 1436 160E-HA A 4.748 ambi=1 { CA:56.627 } ::sumAvg: 4.46 atom: 1427 159L-HD1 D1 0.838 ambi=2 { CD1:23.394 } atom: 1436 160E-HA A 4.748 ambi=1 { CA:56.627 } :: atom: 1428 159L-HD2 D2 0.808 ambi=2 { CD2:23.343 } atom: 1436 160E-HA A 4.748 ambi=1 { CA:56.627 } ::sumAvg: 4.355 atom: 1436 160E-HA A 4.748 ambi=1 { CA:56.627 } atom: 1427 159L-HD1 D1 0.838 ambi=2 { CD1:23.394 } :: atom: 1436 160E-HA A 4.748 ambi=1 { CA:56.627 } atom: 1428 159L-HD2 D2 0.808 ambi=2 { CD2:23.343 } ::sumAvg: 4.355 atom: 1437 160E-HB2 B 1.895 ambi=2 { CB:30 } atom: 1427 159L-HD1 D1 0.838 ambi=2 { CD1:23.394 } :: atom: 1438 160E-HB3 B 1.807 ambi=2 { CB:30 } atom: 1427 159L-HD1 D1 0.838 ambi=2 { CD1:23.394 } :: atom: 1437 160E-HB2 B 1.895 ambi=2 { CB:30 } atom: 1428 159L-HD2 D2 0.808 ambi=2 { CD2:23.343 } :: atom: 1438 160E-HB3 B 1.807 ambi=2 { CB:30 } atom: 1428 159L-HD2 D2 0.808 ambi=2 { CD2:23.343 } ::sumAvg: 4.125 atom: 1443 161H-HA A 4.581 ambi=1 { CA:55.706 } atom: 1435 160E-H N 8.295 ambi=1 { N:119.987 } ::sumAvg: 4.855 atom: 1436 160E-HA A 4.748 ambi=1 { CA:56.627 } atom: 1444 161H-QB B 3.118 ambi=2 { CB:30 } ::sumAvg: 4.44 atom: 1444 161H-QB B 3.118 ambi=2 { CB:30 } atom: 1436 160E-HA A 4.748 ambi=1 { CA:56.627 } ::sumAvg: 4.44 atom: 1436 160E-HA A 4.748 ambi=1 { CA:56.627 } atom: 1453 162H-H N 8.139 ambi=1 { N:125.064 } ::sumAvg: 4.8 atom: 1437 160E-HB2 B 1.895 ambi=2 { CB:30 } atom: 1443 161H-HA A 4.581 ambi=1 { CA:55.706 } :: atom: 1438 160E-HB3 B 1.807 ambi=2 { CB:30 } atom: 1443 161H-HA A 4.581 ambi=1 { CA:55.706 } ::sumAvg: 4.905 atom: 1444 161H-QB B 3.118 ambi=2 { CB:30 } atom: 1437 160E-HB2 B 1.895 ambi=2 { CB:30 } :: atom: 1444 161H-QB B 3.118 ambi=2 { CB:30 } atom: 1438 160E-HB3 B 1.807 ambi=2 { CB:30 } ::sumAvg: 4.71