Assignment w1 w2 E2H-N 122.141 8.613 L3H-N 127.335 11.07 A4H-N 123.897 9.527 G5H-N 107.116 8.807 T6H-N 112.214 7.807 I7H-N 109.997 7.724 I8H-N 116.543 9.019 D9H-N 121.602 8.761 G10H-N 115.958 9.359 A11H-N 120.543 8.286 S12H-N 111.797 7.774 L13H-N 121.791 7.379 T14H-N 117.237 6.819 F15H-N 120.736 9.276 E16H-N 119.573 8.263 V17H-N 120.679 7.503 L18H-N 118.206 7.448 D19H-N 120.905 8.661 K20H-N 122.652 7.582 V21H-N 121.893 7.72 L22H-N 118.491 8.227 G23H-N 108.126 8.203 E24H-N 121.756 7.806 L25H-N 119.406 7.164 G26H-N 104.029 7.425 K27H-N 122.646 8.628 V28H-N 122.844 7.593 S29H-N 118.43 8.629 R30H-N 119.149 6.633 K31H-N 118.38 9.28 I32H-N 116.407 8.622 A33H-N 128.139 7.989 V34H-N 122.257 8.72 G35H-N 113.387 9.017 I36H-N 121.781 8.49 D37H-N 126.264 9.373 N38H-N 126.0 8.755 N38HD21-ND2 111.7 6.863 N38HD22-ND2 111.7 7.576 E39H-N 125.658 8.463 S40H-N 114.811 8.905 G41H-N 111.629 8.483 G42H-N 105.992 7.475 T43H-N 117.864 8.695 W44H-N 126.58 8.158 W44HE1-NE1 125.202 8.762 T45H-N 115.758 9.538 A46H-N 129.991 9.26 L47H-N 121.139 7.922 N48H-N 114.571 7.503 N48HD21-ND2 115.178 7.303 N48HD22-ND2 115.178 8.018 A49H-N 120.495 8.723 Y50H-N 124.867 9.518 F51H-N 126.786 8.551 R52H-N 127.751 7.892 S53H-N 112.285 8.021 G54H-N 113.51 8.596 T55H-N 112.024 8.969 T56H-N 112.994 7.688 D57H-N 124.074 8.831 V58H-N 114.278 7.922 I59H-N 120.517 8.219 L60H-N 126.9 7.898 E62H-N 125.039 8.823 V63H-N 115.23 7.745 V64H-N 125.44 9.131 N66H-N 118.159 8.552 N66HD21-ND2 116.494 7.098 N66HD22-ND2 116.494 7.857 T67H-N 119.249 9.204 K68H-N 120.364 7.786 A69H-N 118.357 9.374 L70H-N 118.659 8.68 L71H-N 119.314 8.093 Y72H-N 124.758 9.808 S73H-N 116.027 6.047 G74H-N 102.006 8.107 R75H-N 113.358 9.214 K76H-N 116.316 7.597 S77H-N 118.389 8.797 S78H-N 118.604 8.672 G79H-N 110.204 8.421 V81H-N 119.645 7.673 A82H-N 131.465 8.382 T83H-N 111.867 7.245 G84H-N 106.311 8.177 A85H-N 126.548 9.126 V86H-N 124.366 8.838 A87H-N 128.691 8.457 A88H-N 116.793 8.703 F89H-N 116.809 9.382 A90H-N 120.292 8.077 Y91H-N 119.635 9.028 Y92H-N 124.29 9.898 M93H-N 126.837 8.771 S94H-N 115.631 7.886 N95H-N 115.023 6.766 N95HD21-ND2 110.4 5.549 N95HD22-ND2 110.4 8.282 G96H-N 106.819 7.922 N97H-N 116.299 7.052 N97HD21-ND2 113.605 5.662 N97HD22-ND2 113.605 6.49 T98H-N 117.629 9.233 L99H-N 130.312 9.594 G100H-N 116.633 9.63 V101H-N 122.71 8.587 M102H-N 126.268 8.848 F103H-N 117.624 8.499 S104H-N 113.93 9.143 V105H-N 130.569 8.652 F107H-N 114.556 7.845 D108H-N 118.012 8.365 Y109H-N 124.179 8.345 N110H-N 118.357 8.832 N110HD21-ND2 114.674 7.703 N110HD22-ND2 114.674 6.844 W111H-N 115.195 7.019 W111HE1-NE1 128.196 10.017 Y112H-N 117.871 7.773 S113H-N 119.124 8.741 N114H-N 122.895 8.622 W115H-N 121.45 9.037 W115HE1-NE1 129.766 10.611 W116H-N 116.532 9.772 W116HE1-NE1 129.297 9.346 D117H-N 112.217 9.079 V118H-N 118.54 8.526 K119H-N 126.407 9.108 I120H-N 121.061 8.427 Y121H-N 127.294 9.474 G123H-N 110.315 8.392 K124H-N 121.91 8.343 R125H-N 131.924 8.441 R126H-N 121.098 7.909 A127H-N 123.65 9.258 D128H-N 120.262 6.923 Q129H-N 119.08 8.096 Q129HE21-NE2 111.785 6.732 Q129HE22-NE2 111.785 7.952 G130H-N 107.049 7.893 M131H-N 124.417 8.096 Y132H-N 116.602 7.771 E133H-N 118.589 8.78 D134H-N 118.368 8.039 M135H-N 113.231 7.203 Y136H-N 120.559 8.967 Y137H-N 111.202 7.708 G138H-N 108.475 6.632 N139H-N 121.813 8.46 N139HD21-ND2 112.413 6.705 N139HD22-ND2 112.413 7.426 Y141H-N 117.48 8.386 R142H-N 121.694 8.431 G143H-N 110.419 8.188 D144H-N 125.038 8.082 N145H-N 111.62 9.073 N145HD21-ND2 115.092 7.219 N145HD22-ND2 115.092 7.422 G146H-N 108.201 8.598 W147H-N 119.394 8.174 W147HE1-NE1 129.73 10.025 Y148H-N 122.612 10.004 Q149H-N 116.989 8.716 K150H-N 118.596 8.745 N151H-N 122.541 8.989 N151HD21-ND2 112.782 6.94 N151HD22-ND2 112.782 7.693 L152H-N 123.958 8.757 G153H-N 106.888 7.909 Y154H-N 110.111 8.18 G155H-N 104.81 8.465 L156H-N 119.845 7.853 R157H-N 120.143 9.422 M158H-N 120.138 9.072 K159H-N 125.955 8.688 G160H-N 115.176 9.816 I161H-N 117.867 7.894 M162H-N 124.708 8.249 T163H-N 115.291 8.474 S164H-N 109.61 7.903 A165H-N 125.252 7.078 G166H-N 104.077 8.133 E167H-N 115.953 6.729 A168H-N 126.785 8.563 K169H-N 116.605 7.939 M170H-N 121.633 8.533 Q171H-N 127.363 8.457 I172H-N 123.644 8.686 K173H-N 128.889 9.879 I174H-N 129.252 8.821 S175H-N 121.074 9.184 R176H-N 124.604 7.715