Assignment w1 w2 D3H-N 122.762 8.259 E4H-N 120.65 7.903 E5H-N 122.54 7.928 V6H-N 121.405 7.764 D7H-N 124.244 8.1 S8H-N 116.601 7.639 V9H-N 121.062 9.131 L10H-N 124.302 7.893 F11H-N 127.86 8.882 G12H-N 104.199 6.798 S13H-N 115.297 8.549 L14H-N 120.987 8.639 R15H-N 125.24 8.292 G16H-N 112.438 8.494 H17H-N 117.462 6.753 V18H-N 123.965 9.273 V19H-N 119.894 9.179 G20H-N 108.76 9.098 L21H-N 115.54 6.689 R22H-N 114.914 8.228 Y23H-N 119.445 7.288 Y24H-N 117.846 6.951 T25H-N 108.221 8.32 G26H-N 111.525 7.546 V27H-N 122.994 7.699 V28H-N 123.943 8.381 N29H-N 121.925 7.579 N29HD21-ND2 116.589 6.484 N29HD22-ND2 116.589 7.685 N30H-N 117.334 8.044 N30HD21-ND2 112.127 6.623 N30HD22-ND2 112.127 7.192 N31H-N 117.402 8.7 N31HD21-ND2 112.656 6.4 N31HD22-ND2 112.656 7.192 E32H-N 120.047 7.208 M33H-N 121.925 7.833 V34H-N 112.593 7.376 A35H-N 124.051 8.563 L36H-N 122.957 8.099 Q37H-N 124.356 8.481 Q37HE21-NE2 112.394 7.145 Q37HE22-NE2 112.394 6.474 R38H-N 130.058 9.126 D39H-N 119.223 7.849 N41H-N 116.051 7.533 N41HD21-ND2 114.844 7.392 N41HD22-ND2 114.844 6.657 N42H-N 124.991 7.049 Y44H-N 118.306 7.751 D45H-N 117.952 6.983 K46H-N 127.667 8.447 N47H-N 119.085 7.969 A48H-N 117.557 6.765 I49H-N 125.202 8.96 K50H-N 127.219 8.922 V51H-N 120.682 7.367 N52H-N 127.102 8.976 N52HD21-ND2 109.926 7.022 N52HD22-ND2 109.926 5.654 N53H-N 118.12 8.267 N53HD21-ND2 112.729 8.048 N53HD22-ND2 112.729 6.802 V54H-N 118.079 8.824 N55H-N 117.821 7.123 N55HD21-ND2 113.738 7.189 N55HD22-ND2 113.738 6.597 G56H-N 108.037 7.863 N57H-N 119.975 7.655 N57HD21-ND2 112.651 6.703 N57HD22-ND2 112.651 7.18 Q58H-N 127.427 8.647 V59H-N 125.994 9.161 G60H-N 101.73 6.531 H61H-N 124.376 8.963 L62H-N 120.378 8.279 K63H-N 123.557 7.685 K64H-N 128.476 9.468 E65H-N 122.393 9.551 L66H-N 120.477 7.015 A67H-N 124.891 8.201 G68H-N 102.696 7.854 A69H-N 121.773 6.701 L70H-N 115.525 7.741 A71H-N 126.179 8.666 Y72H-N 117.234 7.822 I73H-N 118.38 6.696 M74H-N 118.703 7.862 D75H-N 122.615 8.968 N76H-N 114.172 6.849 N76HD21-ND2 117.116 5.986 N76HD22-ND2 117.116 6.524 K77H-N 117.419 7.463 L78H-N 116.593 8.116 A79H-N 116.236 6.982 Q80H-N 122.244 9.289 I81H-N 124.973 8.24 E82H-N 127.913 8.538 G83H-N 110.885 8.803 V84H-N 122.744 8.225 V85H-N 129.125 7.808 F87H-N 115.036 6.982 G88H-N 106.777 8.167 A89H-N 122.476 7.964 N90H-N 114.886 7.875 N90HD21-ND2 113.76 7.287 N90HD22-ND2 113.76 6.643 A92H-N 122.416 7.813 F93H-N 113.848 8.156 T94H-N 113.826 7.719 M95H-N 122.671 8.613 L97H-N 117.538 7.397 H98H-N 128.508 8.998 M99H-N 127.436 8.58 T100H-N 117.301 8.559 F101H-N 123.448 8.06 W102H-N 124.653 8.698 W102HE1-NE1 130.146 9.733 G103H-N 107.923 8.048 K104H-N 121.062 8.8 E105H-N 126.187 9.102 E106H-N 116.055 9.044 N107H-N 117.948 8.037 N107HD21-ND2 114.482 7.037 N107HD22-ND2 114.482 8.153 R108H-N 123.906 7.436 K109H-N 120.781 8.278 A110H-N 122.124 7.859 V111H-N 118.838 7.398 S112H-N 115.829 7.779 D113H-N 122.67 9.017 Q114H-N 121.761 7.302 Q114HE21-NE2 116.13 7.381 Q114HE22-NE2 116.13 6.687 L115H-N 118.179 7.538 K116H-N 122.514 8.152 K117H-N 121.12 7.533 H118H-N 116.553 7.025 G119H-N 107.26 7.468 F120H-N 120.379 7.679 K121H-N 121.417 8.039 L122H-N 129.186 7.595