Assignment w1 w2 D2H-N 122.863 8.633 V3H-N 120.208 8.18 Y4H-N 118.581 8.006 C5H-N 117.83 7.852 E6H-N 119.066 8.152 V7H-N 116.436 8.575 C8H-N 120.669 8.362 E9H-N 119.14 8.798 F10H-N 120.56 7.817 L11H-N 120.49 8.498 V12H-N 118.38 8.797 K13H-N 120.05 7.652 E14H-N 118.67 8.018 V15H-N 120.07 8.884 T16H-N 114.7 8.485 K17H-N 119.43 7.301 L18H-N 118.18 7.261 I19H-N 122.22 8.374 D20H-N 121.75 8.594 N21H-N 116.01 7.402 N21HD21-ND2 111.41 7.59 N21HD22-ND2 111.41 6.94 N22H-N 112.98 8.221 N22HD21-ND2 112.26 7.59 N22HD22-ND2 112.26 6.89 K23H-N 116.71 7.62 T24H-N 111.88 8.935 E25H-N 119.72 8.819 K26H-N 116.23 8.125 E27H-N 117.33 7.483 I28H-N 121.92 8.34 L29H-N 119.12 8.322 D30H-N 117.91 7.983 A31H-N 121.77 7.718 F32H-N 119.56 7.923 D33H-N 116.76 8.0 K34H-N 115.54 7.568 M35H-N 121.28 7.723 C36H-N 113.57 8.797 S37H-N 115.23 8.016 K38H-N 118.89 7.574 L39H-N 119.94 7.196 K41H-N 123.15 8.685 S42H-N 112.24 8.091 L43H-N 120.7 7.627 S44H-N 115.2 7.766 E45H-N 122.92 8.779 E46H-N 121.54 9.228 C47H-N 116.64 8.52 Q48H-N 120.46 8.128 E49H-N 118.28 7.918 V50H-N 119.97 8.144 V51H-N 122.06 8.881 D52H-N 119.95 8.722 T53H-N 112.87 7.99 Y54H-N 116.72 8.923 G55H-N 112.17 8.32 S56H-N 114.42 8.751 S57H-N 120.16 7.775 I58H-N 122.26 8.583 L59H-N 116.38 7.877 S60H-N 112.35 8.208 I61H-N 120.94 8.253 L62H-N 118.93 7.894 L63H-N 120.73 8.532 E64H-N 119.14 7.539 E65H-N 111.48 7.973 V66H-N 120.49 6.834 S67H-N 122.22 8.348 E69H-N 114.21 8.791 L70H-N 118.24 8.0 V71H-N 118.38 7.068 C72H-N 115.42 9.267 S73H-N 117.81 8.399 M74H-N 125.69 8.272 L75H-N 114.55 7.291 H76H-N 110.79 7.641 L77H-N 117.04 7.877 C78H-N 112.7 6.861 S79H-N 117.12 8.902 G80H-N 110.14 8.305 L81H-N 121.33 8.193 V82H-N 122.65 8.098 R84H-N 126.54 7.973