Assignment w1 w2 G3H-N 110.762 8.613 S4H-N 115.132 8.239 T11H-N 115.155 8.033 D12H-N 124.691 8.376 M14H-N 121.594 8.42 G21H-N 109.579 8.462 G22H-N 108.839 8.283 G28H-N 109.983 8.495 N30H-N 119.519 8.608 E31H-N 121.521 8.473 N32H-N 118.836 8.481 E33H-N 121.586 8.363 S34H-N 116.505 8.324 E35H-N 122.556 8.362 K36H-N 122.707 8.259 R37H-N 122.311 8.367 E38H-N 123.509 8.543 L39H-N 125.768 8.266 V40H-N 128.321 8.108 F41H-N 127.28 8.45 K42H-N 118.485 8.394 E43H-N 122.921 8.105 D44H-N 119.264 8.301 G45H-N 111.313 8.879 Q46H-N 118.386 7.992 Q46HE21-NE2 109.842 7.385 Q46HE22-NE2 109.842 6.594 E47H-N 116.794 8.814 Y48H-N 124.019 9.564 A49H-N 123.801 9.693 Q50H-N 119.876 8.514 Q50HE21-NE2 112.555 7.848 Q50HE22-NE2 112.555 7.289 V51H-N 127.398 9.086 I52H-N 128.519 9.348 K53H-N 117.355 7.568 M54H-N 124.31 8.976 L55H-N 122.746 8.032 G56H-N 108.365 8.04 G58H-N 104.702 8.651 R59H-N 117.562 7.356 L60H-N 117.683 8.871 E61H-N 121.251 9.194 A62H-N 127.05 9.006 M63H-N 122.445 8.856 C64H-N 126.893 8.238 F65H-N 120.344 9.088 D66H-N 116.476 8.313 G67H-N 107.962 8.427 V68H-N 121.503 7.056 K69H-N 130.486 8.706 R70H-N 122.336 8.867 L71H-N 125.866 8.326 C72H-N 122.405 9.405 H73H-N 121.473 8.598 I74H-N 126.382 8.964 R75H-N 127.14 8.7 G76H-N 110.075 8.831 L78H-N 119.527 7.718 R79H-N 117.926 7.702 K80H-N 115.773 7.753 K81H-N 117.623 7.775 V82H-N 118.27 7.716 W83H-N 127.131 8.533 W83HE1-NE1 129.449 10.018 I84H-N 125.202 7.873 N85H-N 125.416 9.239 N85HD21-ND2 114.406 7.808 N85HD22-ND2 114.406 6.855 T86H-N 114.316 8.401 S87H-N 116.735 8.757 D88H-N 123.688 8.054 I89H-N 122.4 9.547 I90H-N 118.591 9.257 L91H-N 122.605 8.575 V92H-N 119.152 9.34 G93H-N 109.002 9.76 L94H-N 124.942 8.477 R95H-N 120.45 8.685 Y97H-N 117.848 8.068 Q98H-N 119.9 8.155 N100H-N 115.8 8.5 N100HD21-ND2 112.246 7.57 N100HD22-ND2 112.246 6.88 K101H-N 118.946 7.771 A102H-N 120.237 8.352 D103H-N 119.764 8.941 V104H-N 122.179 8.98 I105H-N 127.634 9.283 L106H-N 114.215 7.495 K107H-N 122.245 8.527 Y108H-N 128.549 8.808 N109H-N 121.377 9.334 N109HD21-ND2 112.67 7.615 N109HD22-ND2 112.67 7.087 A110H-N 121.929 9.027 D111H-N 117.107 8.267 E112H-N 122.113 8.378 A113H-N 121.589 8.851 R114H-N 117.501 8.237 S115H-N 119.037 8.051 L116H-N 121.487 8.551 K117H-N 119.179 7.855 A118H-N 125.383 8.056 Y119H-N 114.581 8.138 G120H-N 108.424 8.004 E121H-N 118.03 7.965 L122H-N 113.504 6.277 E124H-N 119.65 8.657 H125H-N 111.007 7.29 A126H-N 124.153 7.207 K127H-N 127.367 9.238 I128H-N 124.286 8.289 N129H-N 125.552 9.12 E130H-N 122.659 8.637 T131H-N 113.51 7.984 D132H-N 123.048 8.462 T133H-N 114.4 8.104 F134H-N 122.198 8.336 G135H-N 110.302 8.051 G137H-N 109.589 8.509 D138H-N 120.706 8.211 E141H-N 120.648 8.283 I142H-N 122.158 8.085 Q143H-N 124.395 8.315 F144H-N 122.015 8.316 D145H-N 121.339 8.371 I147H-N 120.627 8.06 G148H-N 112.351 8.469 D149H-N 120.876 8.295 E152H-N 120.664 8.31 D153H-N 122.049 8.455 I154H-N 120.643 8.032 D155H-N 123.932 8.363 D156H-N 121.433 8.265 I157H-N 124.783 7.601