Assignment w1 w2 A2H-N 129.551 6.727 C3H-N 112.249 7.794 K4H-N 121.479 10.017 T5H-N 109.537 8.803 A6H-N 123.496 8.668 N7H-N 112.912 8.128 N7HD21-ND2 112.495 7.098 N7HD22-ND2 112.495 7.831 G8H-N 107.784 8.082 T9H-N 118.293 7.768 A10H-N 127.841 8.718 I11H-N 120.399 8.477 I13H-N 116.305 7.762 G14H-N 116.286 8.273 G15H-N 108.858 7.626 G16H-N 104.222 7.593 S17H-N 115.594 8.339 A18H-N 122.317 8.548 N19H-N 119.097 8.672 N19HD21-ND2 112.416 6.951 N19HD22-ND2 112.416 7.396 V20H-N 124.173 9.499 Y21H-N 128.435 8.849 V22H-N 116.123 8.737 N23H-N 124.258 8.899 N23HD21-ND2 114.468 7.094 N23HD22-ND2 114.468 7.651 L24H-N 124.581 9.095 A25H-N 128.929 7.901 V27H-N 118.121 7.347 V28H-N 126.569 8.628 N29H-N 121.603 8.103 N29HD21-ND2 111.057 6.826 N29HD22-ND2 111.057 7.327 V30H-N 119.478 8.619 G31H-N 115.247 8.791 Q32H-N 119.995 8.117 Q32HE21-NE2 112.701 6.923 Q32HE22-NE2 112.701 7.657 N33H-N 116.769 8.513 N33HD21-ND2 111.696 6.891 N33HD22-ND2 111.696 7.47 L34H-N 126.421 9.838 V35H-N 127.528 8.628 V36H-N 129.18 8.941 D37H-N 126.537 8.981 L38H-N 125.365 8.505 S39H-N 120.319 8.72 T40H-N 105.606 6.662 Q41H-N 117.317 7.585 Q41HE21-NE2 112.329 6.808 Q41HE22-NE2 112.329 7.479 I42H-N 118.06 7.199 F43H-N 123.449 8.556 C44H-N 118.102 9.218 H45H-N 112.697 7.424 N46H-N 118.737 7.785 D47H-N 123.887 9.425 A48H-N 124.303 9.889 E50H-N 118.952 9.002 T51H-N 106.474 7.607 I52H-N 122.975 8.415 T53H-N 123.808 8.465 D54H-N 124.371 6.847 Y55H-N 121.259 8.642 V56H-N 121.474 9.259 T57H-N 123.652 9.646 L58H-N 120.385 7.424 Q59H-N 130.94 9.217 Q59HE21-NE2 108.621 6.594 Q59HE22-NE2 108.621 7.223 R60H-N 112.708 7.13 R60HE-NE 84.334 7.137 G61H-N 112.701 9.314 S62H-N 122.319 9.155 A63H-N 125.903 8.125 Y64H-N 116.136 7.64 G65H-N 108.399 8.94 G66H-N 114.647 9.645 V67H-N 119.714 7.669 L68H-N 118.771 6.573 S69H-N 109.304 7.882 N70H-N 114.271 8.105 N70HD21-ND2 116.971 7.339 N70HD22-ND2 116.971 7.899 F71H-N 116.996 7.868 S72H-N 115.367 9.196 G73H-N 109.684 8.935 T74H-N 111.861 8.695 V75H-N 119.753 9.575 K76H-N 128.257 9.484 Y77H-N 125.56 9.361 S78H-N 125.317 8.871 G79H-N 105.22 8.722 S80H-N 117.199 7.503 S81H-N 118.029 8.306 Y82H-N 123.765 9.215 F84H-N 119.398 7.504 T86H-N 113.671 8.343 T87H-N 110.273 8.778 S88H-N 116.251 7.689 E89H-N 124.553 8.405 T90H-N 116.993 7.561 R92H-N 117.523 8.204 R92HE-NE 83.602 6.883 V93H-N 121.217 9.236 V94H-N 125.338 8.477 Y95H-N 126.417 9.143 N96H-N 124.304 9.154 N96HD21-ND2 110.459 6.862 N96HD22-ND2 110.459 7.621 S97H-N 109.653 7.406 R98H-N 128.882 9.424 T99H-N 116.795 8.318 D100H-N 126.172 8.468 K101H-N 124.705 9.391 W103H-N 128.399 8.329 W103HE1-NE1 128.076 9.046 V105H-N 125.759 8.091 A106H-N 125.918 8.367 L107H-N 120.143 8.649 Y108H-N 123.336 8.951 L109H-N 124.967 9.014 T110H-N 120.401 9.644 V112H-N 118.336 8.091 S113H-N 114.86 8.315 S114H-N 112.803 7.73 A115H-N 126.068 7.739 G116H-N 106.527 8.119 G117H-N 111.769 8.648 V118H-N 122.618 8.623 A119H-N 134.677 9.101 I120H-N 115.644 7.628 K121H-N 125.643 8.411 A122H-N 129.025 9.832 G123H-N 111.869 9.059 S124H-N 115.036 8.077 L125H-N 123.979 8.248 I126H-N 119.64 9.079 A127H-N 120.282 7.714 V128H-N 119.187 8.548 L129H-N 128.611 9.405 I130H-N 121.841 9.074 L131H-N 134.722 9.362 R132H-N 130.089 9.053 R132HE-NE 86.434 8.576 Q133H-N 132.87 9.461 Q133HE21-NE2 110.239 6.077 Q133HE22-NE2 110.239 6.963 T134H-N 117.902 8.882 N135H-N 117.685 9.763 N135HD21-ND2 116.807 7.651 N135HD22-ND2 116.807 7.777 N136H-N 115.969 8.321 N136HD21-ND2 112.543 7.168 N136HD22-ND2 112.543 7.764 Y137H-N 123.4 9.108 N138H-N 121.65 9.442 N138HD21-ND2 111.253 6.972 N138HD22-ND2 111.253 7.72 S139H-N 111.796 7.852 D140H-N 124.292 7.738 D141H-N 121.755 6.632 F142H-N 123.374 8.997 Q143H-N 118.154 8.816 Q143HE21-NE2 112.303 6.603 Q143HE22-NE2 112.303 7.768 F144H-N 127.379 9.936 V145H-N 125.304 8.783 W146H-N 126.802 8.762 W146HE1-NE1 122.696 7.088 N147H-N 125.005 9.012 N147HD21-ND2 110.64 6.303 N147HD22-ND2 110.64 6.676 I148H-N 124.608 9.235 Y149H-N 127.294 9.319 A150H-N 122.339 8.566 N151H-N 120.114 9.134 N151HD21-ND2 109.447 6.555 N151HD22-ND2 109.447 7.383 N152H-N 110.954 7.392 N152HD21-ND2 114.968 7.171 N152HD22-ND2 114.968 7.244 D153H-N 117.201 8.475 V154H-N 121.206 8.835 V155H-N 128.338 8.709 V156H-N 126.99 8.5 T158H-N 118.892 7.715