Assignment w1 w2 A5H-N 125.818 8.438 T7H-N 115.279 8.156 K8H-N 121.32 8.543 L11H-N 126.89 9.597 Y12H-N 123.791 9.191 V13H-N 127.264 7.985 G14H-N 112.315 9.194 G15H-N 107.491 8.03 L16H-N 116.349 8.075 A17H-N 126.685 8.481 E18H-N 122.515 9.034 E19H-N 114.271 8.969 V20H-N 119.043 7.526 D21H-N 125.85 6.745 D22H-N 116.124 8.77 K23H-N 121.234 7.572 V24H-N 122.235 8.267 L25H-N 118.377 8.011 H26H-N 118.803 8.688 A27H-N 118.014 7.824 A28H-N 117.264 7.921 F29H-N 111.84 7.807 I30H-N 123.167 8.501 F32H-N 111.96 7.501 G33H-N 106.056 7.569 D34H-N 114.317 8.001 I35H-N 124.599 7.467 T36H-N 120.85 8.938 D37H-N 120.403 7.537 I38H-N 123.587 8.128 Q39H-N 125.676 9.058 Q39HE21-NE2 115.042 8.691 Q39HE22-NE2 115.042 7.339 I40H-N 123.828 8.997 L42H-N 121.046 7.952 D43H-N 122.255 8.338 Y44H-N 125.82 8.628 E45H-N 118.163 8.758 T46H-N 107.164 7.802 E47H-N 116.234 8.382 K48H-N 117.218 7.651 H49H-N 118.101 7.975 R50H-N 120.463 9.197 R50HE-NE 83.983 7.571 G51H-N 113.293 11.128 F52H-N 113.396 6.762 A53H-N 119.941 8.482 F54H-N 113.745 8.662 V55H-N 122.163 8.514 E56H-N 129.544 9.057 F57H-N 126.204 8.343 E58H-N 121.015 8.124 L59H-N 116.416 9.309 A60H-N 127.336 9.077 E61H-N 118.353 9.933 D62H-N 123.95 6.825 A63H-N 121.725 6.979 A64H-N 117.508 7.72 A65H-N 121.264 7.314 A66H-N 122.041 7.883 I67H-N 118.619 7.794 D68H-N 116.479 7.359 N69H-N 112.681 7.374 N69HD21-ND2 115.412 7.264 N69HD22-ND2 115.412 7.643 M70H-N 113.598 8.245 N71H-N 119.583 8.177 N71HD21-ND2 116.311 7.951 N71HD22-ND2 116.311 7.104 E72H-N 121.352 8.613 S73H-N 114.987 7.639 E74H-N 117.593 8.269 L75H-N 126.648 9.034 F76H-N 128.923 9.809 G77H-N 102.083 8.684 R78H-N 119.05 7.553 R78HE-NE 86.092 7.314 T79H-N 118.821 8.381 I80H-N 121.7 8.795 R81H-N 122.005 8.163 R81HE-NE 86.083 7.709 V82H-N 122.883 8.955 N83H-N 119.955 8.895 N83HD21-ND2 111.311 7.082 N83HD22-ND2 111.311 6.511 L84H-N 121.741 8.911 A85H-N 126.946 8.878 K86H-N 120.335 8.332 R89H-N 120.148 8.262 R89HE-NE 84.773 7.332 I90H-N 122.647 8.157 K91H-N 125.41 8.245 E92H-N 122.981 8.412 G93H-N 116.114 7.95 T3H-N 113.084 8.112 K2H-N 120.051 8.199 G3H-N 109.398 8.216 N4H-N 118.574 8.176 N4HD21-ND2 113.191 7.22 N4HD22-ND2 113.191 6.825 C6H-N 127.623 8.286 L8H-N 117.654 7.831 C9H-N 116.999 9.146 D10H-N 121.302 8.559 C12H-N 121.123 8.487 Y13H-N 124.382 8.081 D14H-N 121.89 8.093 D15H-N 119.06 8.23 D16H-N 119.259 8.231 D17H-N 119.522 7.95 Y18H-N 121.252 8.282 S20H-N 115.468 7.781 K21H-N 122.242 7.974 M22H-N 120.361 8.477 M23H-N 117.799 9.461 Q24H-N 123.263 8.251 Q24HE21-NE2 109.733 6.841 Q24HE22-NE2 109.733 6.42 C25H-N 128.003 8.562 G26H-N 116.932 9.46 K27H-N 124.336 9.31 C28H-N 117.832 8.306 D29H-N 118.197 7.461 R30H-N 121.18 8.134 R30HE-NE 85.148 7.233 W31H-N 121.885 8.411 W31HE1-NE1 129.706 10.02 V32H-N 115.655 8.996 S34H-N 121.769 8.885 C36H-N 119.391 6.76 N38H-N 113.416 7.739 N38HD21-ND2 112.95 7.527 N38HD22-ND2 112.95 6.764 L39H-N 117.666 7.656 S40H-N 122.245 9.203 D41H-N 121.516 8.766 E42H-N 120.347 8.418 M43H-N 119.705 8.302 Y44H-N 119.797 8.935 E45H-N 120.911 7.964 I46H-N 118.193 7.337 L47H-N 118.045 8.496 S48H-N 112.52 8.03 N49H-N 119.611 7.091 N49HD21-ND2 116.294 8.269 N49HD22-ND2 116.294 6.845 L50H-N 120.172 7.227 E52H-N 119.057 8.768 S53H-N 111.052 7.72 V54H-N 116.053 7.696 A55H-N 123.184 8.52 Y56H-N 123.219 8.738 T57H-N 123.043 6.73 C58H-N 129.963 9.73 V59H-N 121.29 9.853 N60H-N 120.627 8.719 N60HD21-ND2 112.739 7.839 N60HD22-ND2 112.739 6.811 C61H-N 122.192 8.398 T62H-N 115.368 7.867 E63H-N 123.363 8.037 R64H-N 127.317 7.763 R64HE-NE 85.32 7.168