Assignment w1 w2 I11H-N 123.7 8.302 E12H-N 125.351 8.577 G13H-N 110.779 8.57 R14H-N 120.667 8.233 R14HE-NE 84.903 7.217 E15H-N 122.749 8.645 E16H-N 121.248 8.365 A17H-N 125.498 8.615 S18H-N 113.38 8.102 M20H-N 118.736 7.923 E21H-N 119.626 7.533 R22H-N 121.954 8.755 R22HE-NE 84.858 7.411 N23H-N 114.35 8.368 N23HD21-ND2 112.809 7.69 N23HD22-ND2 112.809 7.022 F24H-N 121.805 7.697 N25H-N 127.233 7.762 N25HD21-ND2 110.162 7.359 N25HD22-ND2 110.162 6.848 V26H-N 123.422 8.181 E27H-N 118.156 8.07 K28H-N 114.671 7.334 I29H-N 110.671 7.773 N30H-N 119.034 7.191 N30HD21-ND2 116.133 7.861 N30HD22-ND2 116.133 7.177 G31H-N 112.682 9.707 E32H-N 120.238 8.4 W33H-N 121.486 7.621 W33HE1-NE1 128.732 10.284 Y34H-N 115.717 9.425 T35H-N 122.483 10.269 I36H-N 127.594 9.342 M37H-N 112.299 7.671 L38H-N 118.363 8.367 A39H-N 121.649 8.972 T40H-N 114.88 7.511 D41H-N 122.632 8.693 K42H-N 127.036 8.525 R43H-N 123.694 8.162 R43HE-NE 84.929 7.431 E44H-N 114.912 9.272 K45H-N 116.053 7.998 I46H-N 106.049 7.525 E47H-N 121.206 6.559 E48H-N 119.042 8.868 H49H-N 116.343 8.465 G50H-N 110.765 8.848 S51H-N 119.938 8.925 M52H-N 114.768 7.931 R53H-N 124.588 7.085 R53HE-NE 85.063 7.498 V54H-N 111.224 6.746 F55H-N 122.213 8.85 V56H-N 129.936 8.78 E57H-N 123.754 8.62 Y58H-N 108.939 6.542 I59H-N 116.352 8.707 H60H-N 127.007 10.105 V61H-N 126.281 8.886 L62H-N 131.234 8.21 E63H-N 120.116 8.383 N64H-N 117.354 8.866 N64HD21-ND2 114.475 7.71 N64HD22-ND2 114.475 6.983 S65H-N 111.612 7.509 L66H-N 119.092 9.164 A67H-N 126.552 9.542 L68H-N 122.954 9.158 K69H-N 121.65 6.723 F70H-N 123.44 8.695 H71H-N 115.731 8.863 I72H-N 120.035 9.057 I73H-N 127.129 8.819 I74H-N 129.944 8.778 N75H-N 127.743 9.53 N75HD21-ND2 113.353 7.704 N75HD22-ND2 113.353 6.857 E76H-N 107.499 8.413 E77H-N 119.739 7.852 C78H-N 122.488 8.956 S79H-N 122.394 9.703 E80H-N 122.564 8.546 I81H-N 122.703 8.709 F82H-N 125.008 8.574 L83H-N 122.852 8.685 V84H-N 121.613 8.604 A85H-N 130.56 9.558 D86H-N 123.057 8.759 K87H-N 121.579 8.245 T88H-N 115.29 7.818 E89H-N 117.073 8.775 K90H-N 122.369 8.001 A91H-N 127.575 8.381 G92H-N 108.888 8.539 E93H-N 120.513 7.33 Y94H-N 124.849 8.651 S95H-N 114.317 9.489 V96H-N 119.89 8.752 T97H-N 129.434 9.342 Y98H-N 127.567 8.652 D99H-N 129.44 8.599 G100H-N 102.33 7.83 S101H-N 113.823 8.382 N102H-N 121.57 8.238 N102HD21-ND2 115.616 8.197 N102HD22-ND2 115.616 6.73 T103H-N 115.162 8.859 F104H-N 118.931 9.379 T105H-N 110.522 8.963 I106H-N 122.244 8.385 L107H-N 128.159 8.313 K108H-N 113.11 7.249 T109H-N 118.41 8.646 D110H-N 124.511 6.809 Y111H-N 116.97 8.994 D112H-N 119.825 9.276 N113H-N 116.72 9.368 N113HD21-ND2 117.251 8.76 N113HD22-ND2 117.251 7.132 Y114H-N 116.714 9.45 I115H-N 120.956 8.876 M116H-N 123.764 8.901 I117H-N 125.539 9.057 H118H-N 126.523 8.52 L119H-N 132.434 9.366 I120H-N 124.963 9.148 N121H-N 128.916 8.388 N121HD21-ND2 113.219 8.391 N121HD22-ND2 113.219 6.875 K122H-N 124.112 8.724 K123H-N 126.038 8.444 D124H-N 128.232 9.375 G125H-N 104.851 8.57 E126H-N 120.852 8.008 T127H-N 118.624 8.757 F128H-N 120.349 8.375 Q129H-N 117.6 10.113 Q129HE21-NE2 111.072 7.492 Q129HE22-NE2 111.072 7.396 L130H-N 126.923 9.898 M131H-N 124.409 9.654 E132H-N 118.929 9.111 L133H-N 125.123 8.342 Y134H-N 126.506 9.169 G135H-N 107.245 9.728 R136H-N 121.081 8.535 R136HE-NE 84.6 7.256 E137H-N 118.323 8.325 D139H-N 114.924 7.167 L140H-N 119.997 8.824 S141H-N 114.137 8.149 S142H-N 118.391 8.996 D143H-N 120.482 8.563 I144H-N 121.874 7.378 K145H-N 119.643 7.456 E146H-N 119.429 8.27 K147H-N 121.447 7.69 F148H-N 120.054 8.387 A149H-N 125.644 8.465 Q150H-N 118.045 8.314 Q150HE21-NE2 112.28 7.997 Q150HE22-NE2 112.28 6.73 L151H-N 120.61 8.125 S152H-N 119.272 8.2 E153H-N 125.194 8.263 E154H-N 120.825 8.167 H155H-N 115.261 7.553 G156H-N 106.997 7.901 I157H-N 123.255 7.666 V158H-N 118.994 7.927 R159H-N 121.057 8.689 R159HE-NE 84.632 7.346 E160H-N 116.788 8.806 N161H-N 120.274 8.229 N161HD21-ND2 108.346 7.376 N161HD22-ND2 108.346 6.84 I162H-N 118.053 7.161 I163H-N 126.345 9.347 D164H-N 126.25 8.805 L165H-N 128.02 8.774 T166H-N 112.108 9.017 N167H-N 118.227 7.995 N167HD21-ND2 112.252 7.459 N167HD22-ND2 112.252 6.773 A168H-N 123.595 7.51 N169H-N 118.241 8.251 N169HD21-ND2 111.373 7.561 N169HD22-ND2 111.373 6.81 R170H-N 123.266 8.33 R170HE-NE 86.781 7.594 C171H-N 111.313 8.456 L172H-N 115.784 7.965 E173H-N 115.338 9.003 A174H-N 121.839 7.393 R175H-N 118.082 6.813 R175HE-NE 81.887 7.411 E176H-N 127.362 8.589