Assignment w1 w2 N1H-N 120.47 8.477 N1HD21-ND2 112.264 7.582 N1HD22-ND2 112.264 6.873 V2H-N 120.25 8.02 V3H-N 125.32 8.293 V4H-N 125.5 8.356 T5H-N 121.43 8.343 A7H-N 123.96 8.382 H8H-N 117.13 8.452 E9H-N 121.85 8.452 A10H-N 125.302 8.413 V11H-N 119.74 8.102 V12H-N 124.78 8.261 R13H-N 125.74 8.471 R13HE-NE 84.363 7.235 V14H-N 122.24 8.288 G15H-N 112.565 8.56 T16H-N 113.71 8.057 K17H-N 124.95 8.441 G19H-N 109.71 8.649 T20H-N 112.98 7.981 E21H-N 123.6 8.61 V22H-N 123.46 8.299 V25H-N 120.57 8.242 I26H-N 126.719 8.61 D27H-N 122.79 8.426 G28H-N 109.131 8.676 S29H-N 114.96 8.502 I30H-N 124.92 8.032 W31H-N 120.66 7.206 W31HE1-NE1 128.967 10.465 D32H-N 117.842 8.413 A33H-N 124.89 7.657 I34H-N 122.15 8.529 A35H-N 122.84 8.801 G36H-N 109.53 8.286 C37H-N 121.1 7.276 E38H-N 118.75 9.252 A39H-N 117.94 7.79 G40H-N 111.61 7.708 G41H-N 104.58 7.892 N42H-N 116.4 7.09 N42HD21-ND2 109.485 7.742 N42HD22-ND2 109.485 7.063 W43H-N 123.914 8.58 W43HE1-NE1 129.377 10.49 A44H-N 119.84 7.99 I45H-N 121.44 6.818 N46H-N 121.7 8.438 N46HD21-ND2 108.846 7.27 N46HD22-ND2 108.846 7.21 T47H-N 113.71 9.043 G48H-N 110.81 8.591 N49H-N 117.8 7.889 N49HD21-ND2 108.521 7.502 N49HD22-ND2 108.521 6.998 G50H-N 107.45 8.21 Y51H-N 117.41 7.543 Y52H-N 117.23 9.24 G53H-N 110.0 9.174 G54H-N 106.5 8.51 V55H-N 104.69 8.59 Q56H-N 112.97 7.733 Q56HE21-NE2 111.895 7.496 Q56HE22-NE2 111.895 6.814 F57H-N 116.71 7.568 D58H-N 120.22 9.017 Q59H-N 121.6 9.43 Q59HE21-NE2 112.363 8.854 Q59HE22-NE2 112.363 7.486 G60H-N 106.1 8.776 T61H-N 120.878 8.653 W62H-N 122.31 8.13 W62HE1-NE1 127.031 9.409 E63H-N 114.105 8.397 A64H-N 121.345 8.586 N65H-N 112.41 7.117 N65HD21-ND2 115.387 7.684 N65HD22-ND2 115.387 7.293 G66H-N 103.68 7.019 G67H-N 107.18 8.108 L68H-N 115.72 8.405 R69H-N 116.69 7.099 R69HE-NE 84.102 6.932 Y70H-N 116.56 7.768 A71H-N 118.28 8.625 R73H-N 108.85 6.731 R73HE-NE 84.478 9.188 A74H-N 121.23 7.504 D75H-N 105.51 8.706 L76H-N 115.89 6.709 A77H-N 123.72 7.302 T78H-N 113.09 8.779 R79H-N 121.45 8.908 R79HE-NE 85.475 8.355 E80H-N 113.96 8.171 E81H-N 121.16 7.56 Q82H-N 117.682 8.628 Q82HE21-NE2 116.03 8.255 Q82HE22-NE2 116.03 6.985 I83H-N 118.524 8.375 A84H-N 122.06 7.562 V85H-N 118.02 7.701 A86H-N 129.61 9.189 E87H-N 118.61 8.807 V88H-N 119.76 7.36 T89H-N 117.392 8.389 R90H-N 123.06 9.18 R90HE-NE 82.881 7.31 L91H-N 121.15 8.165 R92H-N 116.75 7.803 R92HE-NE 84.719 7.227 Q93H-N 114.39 8.83 Q93HE21-NE2 110.832 7.308 Q93HE22-NE2 110.832 7.021 G94H-N 111.603 8.324 W95H-N 119.2 8.623 W95HE1-NE1 127.66 9.858 G96H-N 107.127 8.439 A97H-N 120.71 7.628 W98H-N 116.98 7.879 W98HE1-NE1 129.94 9.902 V100H-N 118.2 7.992 C101H-N 117.83 8.718 A102H-N 122.33 8.757 A103H-N 119.75 7.606 R104H-N 118.26 7.835 R104HE-NE 83.809 7.175 A105H-N 119.254 7.524 G106H-N 105.1 7.587 A107H-N 122.98 7.562 R108H-N 124.26 7.53 R108HE-NE 84.748 7.162