Assignment w1 w2 H3H-N 119.73 8.157 N4H-N 122.14 9.22 N4HD21-ND2 113.87 7.86 N4HD22-ND2 113.87 6.867 V6H-N 121.16 8.326 V7H-N 126.53 9.277 M8H-N 126.43 8.847 V9H-N 125.84 8.682 H10H-N 127.08 7.613 G11H-N 105.12 9.613 I12H-N 123.22 8.663 G13H-N 116.88 9.269 G14H-N 106.14 7.813 A15H-N 114.81 6.981 S16H-N 117.98 9.499 F17H-N 116.89 6.897 N18H-N 120.26 8.027 N18HD21-ND2 109.96 6.942 N18HD22-ND2 109.96 7.475 F19H-N 111.86 7.438 A20H-N 122.08 7.433 G21H-N 107.34 8.133 I22H-N 126.48 7.971 K23H-N 118.84 8.887 S24H-N 111.99 7.729 Y25H-N 122.52 8.274 L26H-N 122.11 8.798 V27H-N 122.28 8.433 S28H-N 118.01 7.861 Q29H-N 117.52 7.337 Q29HE21-NE2 115.37 6.781 Q29HE22-NE2 115.37 6.972 G30H-N 107.08 7.937 W31H-N 125.31 8.528 W31HE1-NE1 129.1 10.427 S32H-N 117.96 9.554 R33H-N 127.67 9.061 D34H-N 113.75 8.067 K35H-N 117.19 7.549 L36H-N 121.03 6.823 Y37H-N 122.34 9.275 V39H-N 120.96 6.707 D40H-N 123.48 7.775 F41H-N 125.95 10.541 W42H-N 120.4 7.697 W42HE1-NE1 128.43 10.289 D43H-N 121.02 7.216 K44H-N 125.99 8.787 T45H-N 109.65 8.688 G46H-N 107.25 7.366 T47H-N 110.05 6.804 N48H-N 124.46 8.727 N48HD21-ND2 108.72 7.302 N48HD22-ND2 108.72 6.195 Y49H-N 114.8 7.606 N50H-N 111.07 6.662 N50HD21-ND2 114.67 7.07 N50HD22-ND2 114.67 7.791 N51H-N 120.17 7.987 N51HD21-ND2 106.55 5.581 N51HD22-ND2 106.55 5.852 G52H-N 108.71 8.978 V54H-N 116.19 6.491 L55H-N 121.65 8.371 S56H-N 110.69 8.311 R57H-N 118.77 8.035 F58H-N 122.26 8.343 V59H-N 118.24 8.812 Q60H-N 117.29 7.733 Q60HE21-NE2 116.04 7.6 Q60HE22-NE2 116.04 6.851 K61H-N 119.33 7.552 V62H-N 120.14 7.61 L63H-N 123.02 8.693 D64H-N 120.55 8.573 E65H-N 117.66 8.322 T66H-N 105.89 7.979 G67H-N 112.05 8.215 A68H-N 122.41 7.639 K69H-N 116.11 8.161 K70H-N 114.41 7.454 V71H-N 107.0 8.301 D72H-N 120.0 8.824 I73H-N 119.2 8.859 V74H-N 125.28 8.054 A75H-N 127.76 9.203 H76H-N 121.97 8.792 S77H-N 122.8 7.932 G79H-N 108.01 9.064 G80H-N 110.71 8.398 A81H-N 123.29 6.335 N82H-N 117.06 8.336 N82HD21-ND2 111.91 7.438 N82HD22-ND2 111.91 6.803 T83H-N 117.17 8.033 L84H-N 120.58 7.972 Y85H-N 121.36 8.271 Y86H-N 121.84 8.038 I87H-N 118.81 7.575 K88H-N 119.76 8.558 N89H-N 113.02 8.503 N89HD21-ND2 111.03 6.877 N89HD22-ND2 111.03 6.603 L90H-N 118.56 6.498 D91H-N 118.18 9.451 G92H-N 106.81 6.905 G93H-N 106.1 8.617 N94H-N 113.43 7.178 N94HD21-ND2 110.01 7.381 N94HD22-ND2 110.01 6.738 K95H-N 117.72 7.414 V96H-N 116.17 6.822 A97H-N 128.63 8.837 N98H-N 115.59 8.089 N98HD21-ND2 119.05 8.309 N98HD22-ND2 119.05 7.054 V99H-N 120.22 8.923 V100H-N 130.12 9.429 T101H-N 115.21 9.348 L102H-N 122.04 9.139 G103H-N 114.99 9.442 G104H-N 98.2 8.268 A105H-N 132.89 7.318 N106H-N 117.27 6.832 N106HD21-ND2 106.21 7.0 N106HD22-ND2 106.21 6.749 R107H-N 114.93 8.8 L108H-N 117.51 7.238 T109H-N 113.89 8.141 T110H-N 114.67 7.726 G111H-N 110.29 8.094 K112H-N 119.96 7.807 A113H-N 121.08 7.446 L114H-N 127.51 6.136 G116H-N 106.77 8.555 T117H-N 107.44 7.85 D118H-N 125.36 8.968 N120H-N 113.68 8.216 N120HD21-ND2 114.46 7.819 N120HD22-ND2 114.46 6.968 Q121H-N 119.49 7.272 Q121HE21-NE2 111.99 7.657 Q121HE22-NE2 111.99 6.846 K122H-N 127.57 8.458 I123H-N 124.52 8.032 L124H-N 124.95 7.538 Y125H-N 116.04 8.197 T126H-N 121.03 8.777 S127H-N 121.45 9.51 I128H-N 126.76 8.993 Y129H-N 128.08 8.541 S130H-N 113.5 10.278 S131H-N 127.51 9.394 A132H-N 124.16 7.961 D133H-N 120.12 7.507 I135H-N 123.36 9.435 V136H-N 122.56 8.081 M137H-N 125.86 8.423 N138H-N 120.24 9.463 N138HD21-ND2 111.8 7.848 Y139H-N 116.61 8.379 L140H-N 115.32 6.886 S141H-N 112.24 7.185 R142H-N 125.5 6.723 L143H-N 124.79 8.71 D144H-N 126.81 9.323 G145H-N 116.5 8.927 A146H-N 117.68 7.085 R147H-N 118.74 7.432 N148H-N 130.32 8.7 N148HD21-ND2 115.23 7.223 N148HD22-ND2 115.23 7.556 V149H-N 127.09 9.452 Q150H-N 126.4 8.048 Q150HE21-NE2 112.67 7.251 Q150HE22-NE2 112.67 7.052 I151H-N 122.39 8.827 H152H-N 117.16 8.402 G153H-N 107.06 8.882 V154H-N 119.29 6.751 G155H-N 114.41 8.723 H156H-N 116.63 8.476 I157H-N 116.9 8.424 G158H-N 108.4 7.448 L159H-N 120.29 7.2 L160H-N 112.68 7.308 Y161H-N 119.68 7.354 S162H-N 117.34 8.795 V165H-N 119.72 7.427 N166H-N 119.78 8.327 N166HD21-ND2 104.94 5.873 N166HD22-ND2 104.94 6.675 S167H-N 112.25 7.191 L168H-N 122.63 7.269 I169H-N 121.61 8.659 K170H-N 119.5 7.958 E171H-N 115.59 7.63 G172H-N 107.61 8.387 L173H-N 123.39 8.924 N174H-N 116.69 7.733 N174HD21-ND2 108.62 7.404 N174HD22-ND2 108.62 7.07 G175H-N 105.68 7.526 G176H-N 105.95 8.272 G177H-N 107.76 8.224 Q178H-N 112.6 8.032 Q178HE21-NE2 110.41 7.233 Q178HE22-NE2 110.41 6.75 N179H-N 116.36 8.873 N179HD21-ND2 106.88 8.438 N179HD22-ND2 106.88 5.66 T180H-N 115.17 8.72 N181H-N 124.91 8.24 N181HD21-ND2 117.42 7.92 N181HD22-ND2 117.42 7.095