Assignment w1 w2 T3H-N 113.57 8.176 I4H-N 115.272 7.549 C5H-N 124.095 7.766 R6H-N 129.928 9.04 V7H-N 118.166 8.734 C8H-N 116.148 8.143 Q9H-N 115.248 8.132 Q9HE21-NE2 112.964 7.237 Q9HE22-NE2 112.964 6.826 K10H-N 118.42 8.091 G12H-N 106.958 8.475 D13H-N 124.001 8.729 L14H-N 121.435 7.849 V15H-N 118.1 8.703 M16H-N 125.271 8.519 C17H-N 129.455 9.139 N18H-N 128.271 8.914 N18HD21-ND2 112.216 7.812 N18HD22-ND2 112.216 6.844 Q19H-N 121.426 9.313 Q19HE21-NE2 112.202 7.424 Q19HE22-NE2 112.202 6.741 C20H-N 120.207 8.542 E21H-N 114.113 7.441 F22H-N 120.911 8.941 C23H-N 115.83 8.137 F24H-N 116.053 9.011 H25H-N 120.957 8.427 L26H-N 123.176 9.369 D27H-N 109.058 8.326 C28H-N 117.495 7.48 H29H-N 116.384 6.894 L30H-N 121.11 4.525 A32H-N 125.871 8.766 L33H-N 123.348 8.23 Q34H-N 119.992 8.679 Q34HE21-NE2 111.81 7.581 Q34HE22-NE2 111.81 6.809 D35H-N 115.42 7.457 V36H-N 122.099 8.624 G38H-N 106.94 8.189 E39H-N 117.365 8.281 E40H-N 117.986 8.697 W41H-N 124.391 7.967 W41HE1-NE1 129.603 9.655 S42H-N 120.355 6.873 C43H-N 125.642 9.271 S44H-N 117.158 7.068 L45H-N 120.667 8.965 C46H-N 121.872 7.816 H47H-N 119.396 8.077 V48H-N 123.528 7.978 L49H-N 126.622 8.139 D51H-N 120.54 8.307 L52H-N 122.987 8.053 K53H-N 122.061 8.34 E54H-N 121.909 8.403 E55H-N 121.528 8.486 D56H-N 121.53 8.322 G57H-N 109.997 8.412 S58H-N 115.994 8.28 L59H-N 123.362 8.164 S60H-N 116.385 8.226 L61H-N 124.466 8.303 D62H-N 120.536 8.267 G63H-N 109.373 8.277 A64H-N 123.584 8.129 D65H-N 118.924 8.326 S66H-N 116.036 8.285 T67H-N 115.059 8.253 G68H-N 111.091 8.366 V69H-N 119.28 7.876 V70H-N 123.601 8.102 A71H-N 129.048 8.374 K72H-N 118.535 7.833 L73H-N 121.834 8.772 S74H-N 121.12 8.89 A76H-N 117.914 8.458 N77H-N 116.945 7.76 Q78H-N 124.719 9.48 Q78HE21-NE2 112.158 7.964 Q78HE22-NE2 112.158 6.882 R79H-N 117.069 7.654 K80H-N 119.251 7.636 C81H-N 115.848 8.031 E82H-N 118.931 8.286 R83H-N 119.029 7.931 V84H-N 119.247 7.762 L85H-N 119.414 8.844 L86H-N 120.156 9.044 A87H-N 121.264 8.136 L88H-N 117.148 8.158 F89H-N 117.048 8.536 C90H-N 111.682 7.689 H91H-N 123.036 7.517 C94H-N 110.309 7.667 R95H-N 122.655 7.928 L97H-N 112.429 7.72 H98H-N 118.891 7.964 Q99H-N 116.787 8.09 A101H-N 123.211 8.577 T102H-N 112.189 8.069 D103H-N 121.846 8.195 S104H-N 116.23 8.26 T105H-N 115.362 8.205 F106H-N 121.735 8.047 S107H-N 116.751 7.962 L108H-N 123.373 8.212 D109H-N 118.496 8.172 Q110H-N 119.403 7.707 G112H-N 109.783 8.51 G113H-N 108.485 8.138 T114H-N 116.361 7.951 L115H-N 125.899 8.575 D116H-N 115.416 6.819 L117H-N 115.281 8.213 T118H-N 116.995 8.152 L119H-N 127.18 8.804 I120H-N 120.88 7.884 R121H-N 119.772 8.792 A122H-N 120.978 8.303 R123H-N 119.408 8.224 R123HH11-NH1 83.946 6.709 L124H-N 125.115 9.029 Q125H-N 114.117 8.418 Q125HE21-NE2 112.097 7.363 Q125HE22-NE2 112.097 7.108 E126H-N 113.381 7.978 K127H-N 116.557 8.538 L128H-N 119.986 6.949 S129H-N 118.455 8.225 Y132H-N 121.321 9.635 S133H-N 114.917 9.343 S134H-N 112.021 7.5 Q136H-N 116.382 8.067 Q136HE21-NE2 111.513 7.363 Q136HE22-NE2 111.513 6.783 E137H-N 121.764 7.826 F138H-N 120.582 6.9 A139H-N 120.917 8.399 Q140H-N 119.041 8.436 Q140HE21-NE2 111.278 7.472 Q140HE22-NE2 111.278 6.855 D141H-N 122.985 7.694 V142H-N 119.63 7.431 G143H-N 104.089 8.089 R144H-N 123.406 8.27 M145H-N 121.31 8.053 F146H-N 117.125 8.005 K147H-N 119.226 8.078 Q148H-N 118.87 8.338 Q148HE21-NE2 109.214 7.152 Q148HE22-NE2 109.214 6.994 F149H-N 120.162 8.411 N150H-N 117.836 8.279 N150HD21-ND2 111.924 7.611 N150HD22-ND2 111.924 6.844 K151H-N 118.045 7.648 L152H-N 119.031 7.825 T153H-N 110.107 7.525 E154H-N 122.427 8.027 D155H-N 119.283 8.372 K156H-N 120.684 8.068 A157H-N 123.182 8.197 D158H-N 118.794 8.222 V159H-N 120.713 8.039 Q160H-N 120.756 8.37 Q160HE21-NE2 112.214 7.551 Q160HE22-NE2 112.214 6.826 S161H-N 116.111 8.19 I162H-N 122.105 8.014 I163H-N 122.15 7.913 G164H-N 107.177 8.057 L165H-N 123.59 7.676 Q166H-N 119.114 7.956 Q166HE21-NE2 110.017 7.598 Q166HE22-NE2 110.017 6.724 R167H-N 118.851 8.387 F168H-N 122.408 8.127 F169H-N 119.223 8.5 E170H-N 119.089 8.718 T171H-N 115.081 8.205 R172H-N 120.165 7.776 M173H-N 120.347 8.503 N174H-N 119.2 8.351 N174HD21-ND2 111.077 7.442 N174HD22-ND2 111.077 6.907 E175H-N 119.589 7.896 A176H-N 116.937 8.03 F177H-N 112.84 8.544 G178H-N 110.339 7.974 D179H-N 119.627 8.185 T180H-N 113.769 8.037 K181H-N 122.277 8.198 F182H-N 119.784 8.206 S183H-N 123.742 8.121 A184H-N 125.704 8.286 V185H-N 118.271 7.958 L186H-N 125.28 8.195 V187H-N 120.937 7.985 E188H-N 126.353 8.292