Assignment w1 w2 R3H-N 122.13 8.58 S4H-N 117.15 8.417 I5H-N 122.03 8.148 S6H-N 122.188 8.46 S8H-N 113.986 8.196 A9H-N 125.654 7.943 L10H-N 118.2 7.964 Q11H-N 117.476 8.0 Q11HE21-NE2 112.141 7.495 Q11HE22-NE2 112.141 6.88 D12H-N 120.17 8.126 L13H-N 122.963 8.308 L14H-N 118.836 8.442 R15H-N 117.826 8.102 T16H-N 116.05 7.925 L17H-N 121.509 8.264 K18H-N 116.56 7.5 S19H-N 116.7 7.523 S21H-N 116.8 8.465 S22H-N 118.597 7.862 Q24H-N 116.982 8.273 Q24HE21-NE2 112.138 7.547 Q24HE22-NE2 112.138 6.898 Q25H-N 123.0 7.997 Q25HE21-NE2 110.016 7.165 Q25HE22-NE2 110.016 6.638 Q26H-N 118.77 8.248 Q26HE21-NE2 111.096 7.454 Q26HE22-NE2 111.096 6.826 Q27H-N 117.735 7.973 Q27HE21-NE2 113.158 7.467 Q27HE22-NE2 113.158 6.9 Q28H-N 119.53 7.985 Q28HE21-NE2 111.158 7.338 Q28HE22-NE2 111.158 6.798 V29H-N 119.46 8.059 L30H-N 119.05 7.97 N31H-N 117.16 8.313 N31HD21-ND2 111.657 7.535 N31HD22-ND2 111.657 6.978 I32H-N 122.375 8.0 L33H-N 120.114 8.138 K34H-N 116.2 8.434 S35H-N 111.59 7.55 N36H-N 118.66 7.49 N36HD21-ND2 116.148 8.117 N36HD22-ND2 116.148 7.216 Q38H-N 118.154 8.875 Q38HE21-NE2 112.137 7.624 Q38HE22-NE2 112.137 7.019 L39H-N 120.983 7.892 M40H-N 117.847 7.92 A41H-N 119.477 8.067 A42H-N 120.0 7.555 F43H-N 118.55 8.156 I44H-N 118.833 8.25 K45H-N 121.7 8.03 Q46H-N 118.66 7.929 Q46HE21-NE2 111.127 7.338 Q46HE22-NE2 111.127 6.747 R47H-N 119.302 8.037 T48H-N 113.198 7.983 A49H-N 125.0 7.9 K50H-N 118.6 7.96 Y51H-N 120.5 7.97 V52H-N 121.83 7.92 A53H-N 126.136 8.111 N54H-N 117.108 8.187 N54HD21-ND2 112.812 7.586 N54HD22-ND2 112.812 6.9 Q55H-N 121.175 8.122 Q55HE21-NE2 112.529 7.465 Q55HE22-NE2 112.529 6.833 G57H-N 109.402 8.529 M58H-N 119.935 8.074 Q59H-N 126.178 7.974 Q59HE21-NE2 112.363 7.494 Q59HE22-NE2 112.363 6.83 L2H-N 121.797 8.486 S3H-N 116.755 8.301 Q4H-N 122.076 8.532 Q4HE21-NE2 112.21 7.525 Q4HE22-NE2 112.21 6.834 E5H-N 121.357 8.497 T6H-N 114.898 8.08 F7H-N 121.097 8.281 S8H-N 115.495 8.127 D9H-N 121.238 8.192 L10H-N 120.652 7.862 W11H-N 117.96 7.837 W11HE1-NE1 129.16 10.101 K12H-N 118.38 7.523 L13H-N 119.23 7.737 L14H-N 121.58 7.62 E16H-N 119.68 8.642 N17H-N 118.392 8.262 N17HD21-ND2 112.629 7.54 N17HD22-ND2 112.629 6.742 N18H-N 119.01 8.279 N18HD21-ND2 112.64 7.536 N18HD22-ND2 112.64 6.88 V19H-N 119.424 8.0 L20H-N 124.0 8.192 S21H-N 117.409 8.102 L23H-N 122.945 8.189 S25H-N 115.57 8.314 Q26H-N 121.674 8.357 Q26HE21-NE2 112.617 7.6 Q26HE22-NE2 112.617 6.85 A27H-N 123.97 8.158 M28H-N 118.353 8.202 D29H-N 120.4 8.156 D30H-N 119.514 8.167 L31H-N 121.174 7.983 M32H-N 119.425 8.145 L33H-N 122.12 8.0 S34H-N 118.7 8.771 D36H-N 116.834 8.089 D37H-N 119.69 7.845 I38H-N 118.6 7.5 E39H-N 117.18 7.859 Q40H-N 120.18 8.077 Q40HE21-NE2 112.361 7.47 Q40HE22-NE2 112.361 6.79 W41H-N 119.86 7.907 W41HE1-NE1 128.535 10.029 F42H-N 117.27 7.87 T43H-N 114.05 7.824 E44H-N 123.18 8.283 D45H-N 123.39 8.421 G47H-N 109.21 8.302 D49H-N 125.818 7.957