Assignment w1 w2 S6H-N 114.964 8.168 D7H-N 121.438 8.414 Y8H-N 117.585 7.913 I9H-N 123.031 8.879 I10H-N 126.568 8.453 K11H-N 127.278 8.765 E12H-N 124.8 8.7 K13H-N 122.55 8.835 T14H-N 120.537 8.481 V15H-N 120.987 9.005 L16H-N 125.449 8.371 L17H-N 126.504 9.571 Q18H-N 122.044 8.425 Q18HE21-NE2 112.597 7.538 Q18HE22-NE2 112.597 6.872 K19H-N 122.981 8.85 K20H-N 118.811 9.172 D21H-N 119.601 8.56 E23H-N 120.96 7.368 G24H-N 107.035 8.296 F25H-N 115.279 8.751 G26H-N 104.978 8.642 F27H-N 113.816 7.153 V28H-N 120.513 8.418 L29H-N 128.077 9.058 R30H-N 123.802 8.568 G31H-N 110.31 8.291 I38H-N 123.564 8.433 E39H-N 119.19 8.983 E40H-N 117.505 7.851 F41H-N 122.317 7.817 T42H-N 124.459 7.609 T44H-N 114.647 7.586 A46H-N 110.629 6.991 F47H-N 114.408 7.027 A49H-N 116.555 7.066 L50H-N 117.012 8.116 Q51H-N 114.04 8.8 Y52H-N 116.544 8.321 L53H-N 118.455 8.649 E54H-N 130.585 8.917 S55H-N 108.078 7.684 V56H-N 120.97 8.436 D57H-N 126.286 7.998 E58H-N 131.229 9.308 G60H-N 107.56 7.767 V61H-N 118.484 8.863 A62H-N 121.614 8.285 W63H-N 121.185 9.256 W63HE1-NE1 132.781 10.549 R64H-N 120.616 9.005 A65H-N 118.672 7.453 G66H-N 103.085 7.615 L67H-N 121.255 7.794 R68H-N 121.164 8.733 G70H-N 115.192 9.623 D71H-N 122.649 7.7 F72H-N 120.697 9.352 L73H-N 122.983 8.419 I74H-N 121.801 8.682 E75H-N 117.107 7.857 V76H-N 120.114 8.544 N77H-N 127.265 10.007 N77HD21-ND2 114.757 7.701 N77HD22-ND2 114.757 7.655 G78H-N 103.613 9.014 Q79H-N 119.828 8.028 Q79HE21-NE2 111.966 7.468 Q79HE22-NE2 111.966 6.914 N80H-N 124.799 8.971 N80HD21-ND2 114.358 6.748 N80HD22-ND2 114.358 8.202 V81H-N 118.72 8.648 V82H-N 124.966 8.247 K83H-N 113.196 8.446 V84H-N 121.172 6.943 G85H-N 110.275 8.29 H86H-N 120.151 8.173 R87H-N 117.14 8.558 Q88H-N 117.453 7.8 V89H-N 121.231 8.046 V90H-N 119.61 8.369 N91H-N 118.568 7.831 N91HD21-ND2 112.209 7.639 N91HD22-ND2 112.209 6.915 M92H-N 120.799 8.143 I93H-N 120.117 8.174 R94H-N 121.201 8.272 Q95H-N 117.292 8.137 G96H-N 104.941 7.536 G97H-N 107.429 7.66 N98H-N 122.508 8.89 N98HD21-ND2 113.793 7.516 N98HD22-ND2 113.793 7.382 T99H-N 115.024 7.67 L100H-N 127.137 9.06 M101H-N 127.883 8.668 V102H-N 121.37 8.943 K103H-N 123.672 8.266 V104H-N 118.679 9.194 V105H-N 115.545 8.828 M106H-N 125.843 8.975 V107H-N 126.618 9.096 T108H-N 120.896 8.799 R109H-N 123.718 8.589 H110H-N 124.411 8.419 D112H-N 120.506 9.069 M113H-N 120.036 8.224 D114H-N 121.451 8.285 E115H-N 121.473 8.291 A116H-N 124.464 8.275 V117H-N 118.458 7.893 H118H-N 123.482 8.281 K119H-N 128.229 7.937