Assignment w1 w2 A2H-N 123.689 8.573 V3H-N 120.052 8.332 T4H-N 118.935 8.232 A5H-N 127.193 8.325 V6H-N 122.2 8.163 S8H-N 114.897 8.283 V9H-N 124.095 8.617 F10H-N 109.518 7.262 S11H-N 110.316 7.451 S12H-N 115.378 6.906 N14H-N 114.978 8.409 N14HD21-ND2 113.621 7.024 N14HD22-ND2 113.621 7.685 L15H-N 120.544 7.397 A16H-N 123.46 8.605 S17H-N 111.307 7.975 G18H-N 109.567 7.7 F19H-N 125.324 9.107 L20H-N 119.554 8.748 Q21H-N 119.039 7.902 Q21HE21-NE2 111.649 6.73 Q21HE22-NE2 111.649 7.25 C22H-N 119.2 7.735 L23H-N 124.136 8.83 T24H-N 111.886 8.424 F25H-N 124.797 8.048 G26H-N 107.377 8.526 I27H-N 123.416 8.834 G28H-N 103.901 7.638 N29H-N 116.15 7.195 N29HD21-ND2 113.513 5.902 N29HD22-ND2 113.513 7.04 S30H-N 115.98 7.33 A32H-N 120.361 7.955 F33H-N 114.505 6.759 T35H-N 118.14 8.603 Q36H-N 119.155 9.082 Q36HE21-NE2 111.747 6.797 Q36HE22-NE2 111.747 7.39 E37H-N 118.488 6.945 Q38H-N 117.572 8.291 Q38HE21-NE2 112.84 6.523 Q38HE22-NE2 112.84 7.5 Q39H-N 114.703 7.74 Q39HE21-NE2 116.45 7.782 Q39HE22-NE2 116.45 6.994 D40H-N 122.133 8.276 L41H-N 120.584 8.611 D42H-N 115.802 8.108 A43H-N 121.019 8.178 I44H-N 118.272 7.683 A45H-N 121.509 8.114 Q46H-N 115.238 8.202 Q46HE21-NE2 110.662 6.777 Q46HE22-NE2 110.662 7.331 V47H-N 117.089 7.41 I48H-N 114.963 7.194 L49H-N 117.014 8.669 N50H-N 116.87 8.458 N50HD21-ND2 109.631 6.761 N50HD22-ND2 109.631 7.477 A51H-N 120.178 7.31 V52H-N 120.205 7.119 S53H-N 119.897 8.116 T54H-N 113.81 8.108 N55H-N 124.129 8.459 N55HD21-ND2 111.926 6.929 N55HD22-ND2 111.926 7.699 T56H-N 113.106 8.251 G57H-N 110.279 8.427 A58H-N 122.249 8.704 T59H-N 107.671 8.144 A60H-N 125.206 7.604 S61H-N 113.561 8.736 A62H-N 126.65 7.819 R63H-N 116.859 7.999 R63HE-NE 82.98 7.18 A64H-N 120.16 7.933 Q65H-N 117.95 7.91 Q65HE21-NE2 113.812 6.712 Q65HE22-NE2 113.812 7.862 A66H-N 122.833 8.101 L67H-N 118.562 8.108 S68H-N 115.72 7.721 T69H-N 118.719 8.342 A70H-N 126.306 8.669 L71H-N 120.139 8.552 A72H-N 119.192 8.589 S73H-N 111.696 8.522 S74H-N 119.511 8.008 L75H-N 119.91 8.052 T76H-N 112.113 6.987 D77H-N 119.341 8.008 L78H-N 117.557 7.887 L79H-N 117.562 7.639 I80H-N 119.007 7.829 A81H-N 122.249 8.714 E82H-N 113.31 8.195 S83H-N 115.244 7.506 A84H-N 126.469 8.635 E85H-N 118.716 8.632 S86H-N 112.879 8.289 N87H-N 118.391 7.991 N87HD21-ND2 112.185 6.948 N87HD22-ND2 112.185 7.579 Y88H-N 120.348 7.642 N89H-N 120.678 8.23 N89HD21-ND2 112.621 6.862 N89HD22-ND2 112.621 7.56 N90H-N 119.015 8.498 N90HD21-ND2 112.705 7.686 N90HD22-ND2 112.705 7.013 Q91H-N 119.414 8.074 Q91HE21-NE2 111.529 7.211 Q91HE22-NE2 111.529 7.636 L92H-N 120.578 8.701 S93H-N 115.966 8.218 E94H-N 122.657 7.969 L95H-N 119.668 8.902 T96H-N 111.596 8.901 G97H-N 110.262 8.013 I98H-N 123.781 8.101 L99H-N 119.312 8.635 S100H-N 114.737 8.755 N101H-N 117.78 8.193 N101HD21-ND2 113.57 6.947 N101HD22-ND2 113.57 7.601 C102H-N 117.315 8.537 F103H-N 127.647 9.575 I104H-N 125.396 8.535 Q105H-N 119.06 8.804 Q105HE21-NE2 112.138 7.399 Q105HE22-NE2 112.138 6.867 T106H-N 107.484 7.776 T107H-N 109.102 8.51 G108H-N 112.264 8.159 S109H-N 114.885 7.937 D110H-N 119.907 8.447 N111H-N 117.913 9.139 N111HD21-ND2 110.038 6.88 N111HD22-ND2 110.038 5.598 A113H-N 120.828 8.16 F114H-N 121.314 7.668 V115H-N 116.88 7.348 S116H-N 115.563 8.503 R117H-N 122.858 7.809 R117HH11-NH1 73.238 6.741 R117HH12-NH1 73.238 6.741 R117HH21-NH2 73.239 6.715 R117HH22-NH2 73.239 6.715 R117HE-NE 81.937 7.329 I118H-N 120.361 7.545 Q119H-N 115.846 7.789 Q119HE21-NE2 110.555 6.757 Q119HE22-NE2 110.555 7.283 S120H-N 115.096 8.276 L121H-N 121.318 7.984 I122H-N 120.16 7.868 S123H-N 114.251 7.871 V124H-N 118.792 7.249 L125H-N 117.78 8.24 S126H-N 111.837 7.72 Q127H-N 120.821 7.485 Q127HE21-NE2 112.161 6.818 Q127HE22-NE2 112.161 7.449 N128H-N 120.138 8.466 N128HD21-ND2 112.944 6.907 N128HD22-ND2 112.944 7.607 T129H-N 114.035 8.12 D130H-N 122.754 8.382 V131H-N 119.321 7.955 N132H-N 121.708 8.435 N132HD21-ND2 113.05 6.873 N132HD22-ND2 113.05 7.615 I133H-N 121.266 8.004 I134H-N 125.058 8.194 S135H-N 120.387 8.41 T136H-N 116.327 8.21 A137H-N 131.591 7.939