Assignment w1 w2 N3H-N 119.52 8.492 N3HD21-ND2 113.049 7.574 N3HD22-ND2 113.049 6.905 Y4H-N 121.07 8.173 D5H-N 121.903 8.205 D6H-N 121.76 8.035 H8H-N 117.637 8.467 K9H-N 121.067 7.923 T10H-N 119.99 8.105 A12H-N 121.588 7.689 S13H-N 115.382 6.513 V15H-N 119.14 8.573 V16H-N 120.615 9.5 H17H-N 125.469 9.477 I18H-N 128.404 9.384 R19H-N 123.92 8.972 R19HE-NE 85.522 6.898 G20H-N 108.133 9.082 L21H-N 116.963 7.352 I22H-N 115.391 7.619 D23H-N 119.972 7.998 G24H-N 109.601 8.524 V25H-N 120.038 7.024 V26H-N 119.135 8.88 E27H-N 122.627 9.603 A28H-N 118.291 8.604 D29H-N 115.647 7.612 L30H-N 120.848 7.319 V31H-N 118.911 7.856 E32H-N 117.004 8.067 A33H-N 116.819 7.115 L34H-N 114.158 7.827 Q35H-N 118.824 8.506 Q35HE21-NE2 110.535 7.424 Q35HE22-NE2 110.535 6.718 E36H-N 117.865 7.928 F37H-N 118.581 7.791 G38H-N 107.714 7.475 I40H-N 125.208 8.653 S41H-N 122.827 9.281 Y42H-N 121.148 7.947 V43H-N 123.893 7.443 V44H-N 123.239 8.917 V45H-N 125.271 8.841 M46H-N 125.802 8.705 K49H-N 114.46 7.347 R50H-N 116.946 8.089 R50HE-NE 86.396 7.419 Q51H-N 113.755 7.355 Q51HE21-NE2 112.907 7.593 Q51HE22-NE2 112.907 6.903 A52H-N 119.434 8.985 L53H-N 119.835 9.024 V54H-N 121.279 8.87 E55H-N 129.089 9.263 F56H-N 129.049 9.44 E57H-N 119.82 8.695 D58H-N 115.192 8.577 V59H-N 122.159 8.57 L60H-N 121.632 8.495 G61H-N 105.889 7.701 A62H-N 122.148 6.226 C63H-N 116.215 8.716 N64H-N 118.561 8.351 N64HD21-ND2 109.985 7.869 N64HD22-ND2 109.985 6.793 A65H-N 123.316 7.462 V66H-N 117.65 8.345 N67H-N 117.987 8.855 Y68H-N 122.624 8.0 A69H-N 120.33 8.07 A70H-N 120.188 7.5 D71H-N 113.07 7.129 N72H-N 117.983 7.713 Q73H-N 117.303 8.176 Q73HE21-NE2 114.958 7.548 Q73HE22-NE2 114.958 6.36 I74H-N 125.455 8.918 Y75H-N 126.365 8.733 I76H-N 121.22 8.852 A77H-N 131.89 9.677 G78H-N 101.533 8.674 H79H-N 120.337 7.966 A81H-N 124.745 8.036 F82H-N 118.002 8.223 V83H-N 121.502 8.614 N84H-N 121.446 8.36 N84HD21-ND2 112.1 7.628 N84HD22-ND2 112.1 6.983 Y85H-N 120.459 8.506 S86H-N 115.466 8.918 S88H-N 119.092 8.663 Q89H-N 121.211 8.687 Q89HE21-NE2 113.043 7.379 Q89HE22-NE2 113.043 7.049 K90H-N 116.453 7.513 I91H-N 124.969 8.701 S92H-N 124.113 8.692 R93H-N 125.524 8.379 G95H-N 109.773 8.52 D96H-N 120.705 8.113 S97H-N 115.491 8.278 D98H-N 122.472 8.371 D99H-N 121.277 8.323 S100H-N 116.407 8.321 R101H-N 122.019 8.161 S102H-N 116.571 8.243 V103H-N 120.922 8.082 N104H-N 122.174 8.431 S105H-N 121.742 7.88