Assignment w1 w2 S4H-N 117.011 8.369 S5H-N 116.966 8.214 K6H-N 120.255 8.308 I7H-N 118.751 7.555 F8H-N 113.476 8.264 K9H-N 119.498 7.266 N10H-N 116.662 8.901 N10HD21-ND2 113.923 7.039 N10HD22-ND2 113.923 7.692 C11H-N 117.862 8.388 V12H-N 128.402 9.793 I13H-N 127.996 8.778 Y14H-N 125.225 7.992 I15H-N 127.791 8.517 N16H-N 126.635 8.925 N16HD21-ND2 112.419 7.031 G17H-N 113.364 8.602 Y18H-N 120.799 8.524 T19H-N 117.301 7.202 K20H-N 120.239 7.589 G22H-N 105.096 8.249 R23H-N 118.697 7.745 L24H-N 116.445 8.086 Q25H-N 118.199 7.373 Q25HE21-NE2 112.151 6.79 Q25HE22-NE2 112.151 7.435 L26H-N 118.897 8.083 H27H-N 117.848 8.667 E28H-N 116.737 7.456 M29H-N 117.289 7.747 I30H-N 118.054 8.274 V31H-N 119.228 7.756 L32H-N 122.896 8.263 H33H-N 113.0 7.238 G34H-N 104.29 7.368 G35H-N 108.271 8.648 K36H-N 114.988 7.331 F37H-N 117.829 7.881 L38H-N 119.776 8.117 Y40H-N 114.685 7.36 L41H-N 121.877 8.167 S42H-N 117.2 7.668 K44H-N 120.87 8.184 K45H-N 118.697 7.745 T46H-N 114.642 7.996 V47H-N 122.534 7.626 T48H-N 116.61 9.723 H49H-N 121.549 7.533 I50H-N 122.673 8.92 V51H-N 127.041 8.767 A52H-N 127.327 8.919 S53H-N 112.881 9.211 N54H-N 117.089 7.851 N54HD21-ND2 113.746 7.577 N54HD22-ND2 113.746 6.836 L55H-N 121.852 8.685 L57H-N 124.64 8.638 K58H-N 114.911 8.674 K59H-N 116.157 7.117 R60H-N 120.014 7.873 I61H-N 117.51 7.659 E62H-N 121.343 7.652 F63H-N 115.524 7.993 A64H-N 122.237 7.229 N65H-N 112.339 8.504 N65HD21-ND2 112.583 6.741 N65HD22-ND2 112.583 7.261 Y66H-N 118.455 7.795 K67H-N 121.154 7.678 V68H-N 125.859 8.287 V69H-N 120.107 9.301 S70H-N 114.306 8.307 D72H-N 115.459 8.428 W73H-N 120.972 7.785 W73HE1-NE1 129.022 10.046 I74H-N 115.907 6.938 V75H-N 116.657 7.0 D76H-N 119.574 9.107 S77H-N 117.745 6.986 V78H-N 119.378 7.549 K79H-N 120.606 7.923 E80H-N 115.506 8.005 A81H-N 121.963 7.882 R82H-N 115.328 8.098 L83H-N 120.459 8.252 L84H-N 132.624 7.864 W86H-N 127.849 8.311 W86HE1-NE1 130.146 10.239 Q87H-N 120.414 8.272 Q87HE21-NE2 109.545 6.341 Q87HE22-NE2 109.545 7.255 N88H-N 116.204 7.261 N88HD21-ND2 109.878 7.621 N88HD22-ND2 109.878 6.881 Y89H-N 118.093 7.974 S90H-N 113.861 6.955 L91H-N 125.66 8.693 T92H-N 112.004 8.161 S93H-N 122.878 7.864