Assignment w1 w2 G3H-N 110.406 8.334 L4H-N 121.424 7.985 V5H-N 122.501 8.019 R7H-N 121.784 8.408 G8H-N 110.31 8.386 S9H-N 115.322 8.1 M11H-N 121.219 7.976 R12H-N 120.963 9.368 R12HE-NE 85.201 7.797 L14H-N 129.102 9.121 K15H-N 127.65 8.522 I16H-N 122.201 8.856 R17H-N 127.179 9.257 R17HE-NE 82.861 8.075 M18H-N 124.902 8.926 L19H-N 121.008 8.493 D20H-N 115.014 7.715 G21H-N 107.977 8.025 T22H-N 115.951 8.085 V23H-N 121.679 8.413 K24H-N 128.879 9.162 T25H-N 118.333 8.417 I26H-N 127.87 9.162 M27H-N 124.368 8.402 V28H-N 117.476 8.901 D29H-N 120.823 8.177 D30H-N 124.201 8.8 S31H-N 114.905 8.857 K32H-N 121.578 7.276 T33H-N 109.542 8.632 V34H-N 121.4 7.774 T35H-N 116.551 8.728 D36H-N 121.723 7.144 M37H-N 121.131 8.531 L38H-N 120.392 8.838 M39H-N 118.335 7.634 T40H-N 116.316 7.464 I41H-N 121.113 8.498 C42H-N 115.058 8.393 A43H-N 121.148 7.782 R44H-N 116.471 7.669 I45H-N 111.754 7.483 G46H-N 109.065 7.592 I47H-N 122.022 7.954 T48H-N 119.558 8.505 N49H-N 121.071 8.736 N49HD21-ND2 111.491 7.736 N49HD22-ND2 111.491 6.681 D51H-N 117.508 8.047 E52H-N 116.218 7.71 Y53H-N 118.692 7.866 S54H-N 112.04 8.895 L55H-N 119.442 8.845 V56H-N 119.843 8.89 R57H-N 124.725 8.324 R57HH12-NH1 71.965 6.886 R57HH22-NH2 71.965 6.886 R57HE-NE 84.554 8.961 E58H-N 125.303 8.651 L59H-N 123.23 8.3 M60H-N 121.477 8.31 E61H-N 122.439 8.332 D65H-N 121.54 8.361 E66H-N 121.943 8.433 G67H-N 109.344 8.503 T68H-N 112.73 8.051 G69H-N 111.228 8.498 T70H-N 113.869 7.992 L71H-N 124.318 8.185 R72H-N 122.08 8.251 K73H-N 122.62 8.324 D74H-N 120.812 8.272 K75H-N 121.579 8.274 T76H-N 114.895 8.185 L77H-N 123.962 8.047 L78H-N 122.597 8.081 R79H-N 121.199 8.171 D80H-N 121.35 8.254 E81H-N 122.356 8.447 K82H-N 120.698 8.269 K83H-N 120.946 8.018 M84H-N 119.875 8.177 E85H-N 121.53 8.244 K86H-N 120.886 8.113 L87H-N 121.566 8.002 K88H-N 120.877 8.077 Q89H-N 120.23 8.094 Q89HE21-NE2 112.104 6.823 Q89HE22-NE2 112.104 7.482 K90H-N 122.011 8.179 L91H-N 122.803 8.186 H92H-N 119.381 8.344 T93H-N 114.381 8.051 D94H-N 121.816 8.483 D95H-N 119.551 8.176 E96H-N 119.647 8.146 L97H-N 120.843 7.765 N98H-N 119.279 8.325 N98HD21-ND2 112.006 7.461 N98HD22-ND2 112.006 6.95 W99H-N 122.943 7.708 W99HE1-NE1 130.035 10.295 L100H-N 122.253 8.489 D101H-N 121.643 9.125 H102H-N 126.517 9.289 G103H-N 105.425 8.757 R104H-N 117.218 7.026 R104HE-NE 85.022 7.462 T105H-N 112.074 9.021 L106H-N 121.118 9.17 R107H-N 119.116 8.508 E108H-N 117.972 7.783 Q109H-N 114.538 7.242 Q109HE21-NE2 113.094 6.405 Q109HE22-NE2 113.094 7.411 G110H-N 107.387 7.576 V111H-N 119.8 7.485 E112H-N 130.417 8.935 E113H-N 121.03 9.168 H114H-N 112.437 7.613 E115H-N 121.462 6.982 T116H-N 120.887 8.663 L117H-N 125.784 8.421 L118H-N 121.46 9.087 L119H-N 126.254 8.017 R120H-N 125.681 8.652 R121H-N 125.176 8.785 K122H-N 126.993 8.391 F123H-N 117.499 7.593 F124H-N 119.975 8.197 Y125H-N 121.184 7.902 S126H-N 116.5 8.305 D127H-N 122.179 8.207 Q128H-N 124.314 7.745 Q128HE21-NE2 112.296 6.718 Q128HE22-NE2 112.296 7.464