Assignment w1 w2 A2H-N 124.666 8.191 S3H-N 119.917 8.829 L5H-N 117.902 9.146 D6H-N 118.259 7.572 Q7H-N 119.558 8.66 A8H-N 123.628 8.253 I9H-N 117.056 8.134 G10H-N 106.202 8.515 L11H-N 124.624 8.212 L12H-N 118.095 7.971 I13H-N 121.161 8.379 G14H-N 108.982 8.823 I15H-N 121.601 8.681 F16H-N 118.66 7.103 H17H-N 114.968 7.591 K18H-N 122.373 8.144 Y19H-N 113.614 6.999 S20H-N 113.201 8.432 G21H-N 110.734 7.678 K22H-N 122.161 7.362 E23H-N 116.288 9.639 D25H-N 125.671 8.204 H27H-N 118.108 9.763 T28H-N 106.92 7.325 L29H-N 125.021 9.422 S30H-N 124.758 10.485 K31H-N 119.459 8.728 K32H-N 117.933 7.857 E33H-N 120.407 7.559 L34H-N 117.677 8.833 K35H-N 119.829 8.01 E36H-N 117.34 7.169 L37H-N 120.884 7.478 I38H-N 118.45 8.377 Q39H-N 113.091 8.217 K40H-N 114.771 8.426 E41H-N 112.546 8.496 L42H-N 118.657 7.267 G45H-N 108.178 7.82 S46H-N 113.038 7.895 K47H-N 119.422 7.736 L48H-N 118.908 6.988 Q49H-N 121.275 9.206 D50H-N 123.43 8.854 A51H-N 117.829 8.72 E52H-N 115.459 7.161 I53H-N 120.414 7.962 V54H-N 119.775 8.132 K55H-N 119.175 7.155 L56H-N 119.679 7.837 M57H-N 115.116 8.385 D58H-N 118.197 7.591 D59H-N 118.481 7.725 L60H-N 116.935 7.703 D61H-N 116.605 7.143 R62H-N 125.967 7.786 N63H-N 112.434 7.945 K64H-N 114.197 7.477 D65H-N 118.581 8.345 Q66H-N 113.203 9.945 E67H-N 118.554 7.88 V68H-N 126.572 9.669 N69H-N 127.472 8.985 F70H-N 119.972 9.1 Q71H-N 118.216 8.342 E72H-N 121.455 8.721 Y73H-N 123.356 8.536 I74H-N 119.799 8.642 T75H-N 119.486 7.959 F76H-N 122.873 7.45 L77H-N 117.405 7.829 G78H-N 105.528 8.093 A79H-N 124.488 7.759 L80H-N 117.869 7.963 A81H-N 119.054 8.365 M82H-N 115.364 8.112 I83H-N 120.887 7.981 Y84H-N 120.933 8.731 A87H-N 120.274 7.829 L88H-N 117.356 7.499 K89H-N 119.289 7.561 G90H-N 114.547 7.657 E6H-N 122.715 8.385 G7H-N 109.009 8.475 M9H-N 117.049 8.25 N10H-N 117.034 7.892 N10HD21-ND2 112.516 7.0 N10HD22-ND2 112.516 7.596 V11H-N 119.878 7.651 L12H-N 119.499 8.03 K13H-N 117.888 8.015 K14H-N 118.321 7.506 I15H-N 118.644 7.78 Y16H-N 118.683 7.918 E17H-N 119.409 8.089 D18H-N 119.459 8.023 G19H-N 108.518 7.933 D20H-N 120.172 8.091 D21H-N 121.515 8.352 D22H-N 120.156 8.239 M23H-N 120.707 8.3 K24H-N 119.504 8.047 R25H-N 118.378 7.891 T26H-N 115.443 7.869 I27H-N 121.265 7.901 K29H-N 120.82 7.968 A30H-N 121.571 7.865 W31H-N 118.141 7.831 W31HE1-NE1 128.9 10.001 V32H-N 118.287 7.594 E33H-N 122.535 8.012 S34H-N 117.058 8.037 R35H-N 127.992 7.778