Assignment w1 w2 S3H-N 118.072 8.584 G4H-N 110.934 8.469 S5H-N 115.735 8.274 S6H-N 117.79 8.429 G7H-N 110.687 8.21 I9H-N 121.419 8.353 T10H-N 118.018 8.187 D11H-N 122.865 8.277 E12H-N 121.871 8.475 R13H-N 121.517 8.315 R13HE-NE 117.946 7.365 V14H-N 120.598 7.981 Y15H-N 123.366 8.245 E16H-N 121.997 8.148 S17H-N 116.456 8.286 I18H-N 122.253 8.384 G19H-N 111.426 8.517 H20H-N 117.963 8.186 Y21H-N 121.637 8.364 G22H-N 111.079 8.424 G23H-N 109.492 8.364 E24H-N 119.993 8.247 T25H-N 116.837 8.49 V26H-N 118.523 7.708 K27H-N 123.468 9.161 I28H-N 125.018 8.599 V29H-N 123.29 9.058 R30H-N 124.327 8.454 R30HE-NE 118.103 7.164 I31H-N 122.031 9.126 E32H-N 126.242 8.674 K33H-N 126.961 8.834 A34H-N 130.614 8.545 R35H-N 120.895 8.829 D36H-N 114.361 8.509 I37H-N 120.928 7.347 L39H-N 122.397 9.156 G40H-N 103.112 8.669 A41H-N 121.981 7.694 T42H-N 116.064 8.773 V43H-N 114.213 7.94 R44H-N 117.509 9.164 R44HE-NE 118.0 7.69 N45H-N 118.767 8.913 N45HD21-ND2 109.53 6.935 N45HD22-ND2 109.53 7.302 E46H-N 123.935 8.407 M47H-N 124.204 9.222 D48H-N 120.098 8.541 S49H-N 115.676 8.077 V50H-N 127.547 9.875 I51H-N 126.083 8.861 I52H-N 123.621 8.861 S53H-N 126.633 9.371 R54H-N 119.148 7.329 I55H-N 125.736 8.967 V56H-N 128.012 8.173 K57H-N 130.338 8.826 G58H-N 114.807 9.553 G59H-N 105.792 7.453 A60H-N 120.061 8.771 A61H-N 119.885 8.962 E62H-N 124.836 9.515 K63H-N 118.053 8.158 S64H-N 111.494 7.746 G65H-N 108.608 7.373 L66H-N 116.773 7.742 L67H-N 117.253 6.885 H68H-N 119.744 8.876 E69H-N 121.746 9.023 G70H-N 112.562 9.239 D71H-N 123.283 8.051 E72H-N 122.845 8.639 V73H-N 126.611 8.952 L74H-N 125.804 9.141 E75H-N 117.996 7.668 I76H-N 120.739 8.12 N77H-N 126.334 9.286 N77HD21-ND2 108.906 6.538 N77HD22-ND2 108.906 7.481 G78H-N 102.703 8.615 I79H-N 123.198 8.137 E80H-N 127.929 8.684 I81H-N 123.673 8.177 R82H-N 120.488 7.488 R82HE-NE 117.679 7.252 G83H-N 114.013 8.961 K84H-N 120.496 8.035 D85H-N 121.156 8.723 V86H-N 119.647 8.253 N87H-N 119.774 8.683 N87HD21-ND2 114.561 6.981 N87HD22-ND2 114.561 7.942 E88H-N 120.087 7.793 V89H-N 119.405 7.863 F90H-N 119.159 8.441 D91H-N 120.256 7.987 L92H-N 121.583 7.977 L93H-N 117.013 8.143 S94H-N 113.57 7.756 D95H-N 119.168 7.485 M96H-N 119.266 7.407 H97H-N 117.541 8.266 G98H-N 110.467 8.807 T99H-N 120.956 8.502 L100H-N 131.605 9.394 T101H-N 120.015 8.951 F102H-N 127.265 9.714 V103H-N 121.507 8.501 L104H-N 126.413 9.432 I105H-N 119.882 8.926 S107H-N 116.745 9.122 S108H-N 119.408 8.567 G109H-N 110.489 8.196 S111H-N 116.444 8.502 S112H-N 117.873 8.329 G113H-N 116.824 8.038