Assignment w1 w2 S36H-N 116.424 8.112 Y37H-N 121.58 8.182 G38H-N 109.681 8.361 R39H-N 120.061 7.95 D43H-N 117.712 8.479 V44H-N 118.59 7.627 E45H-N 122.294 8.507 G46H-N 107.496 8.063 M47H-N 118.513 7.462 T48H-N 119.367 9.031 S49H-N 123.278 9.223 L50H-N 123.351 9.396 K51H-N 124.202 9.263 V52H-N 130.111 9.247 D53H-N 125.168 9.269 N54H-N 112.069 8.434 N54HD21-ND2 111.705 8.113 N54HD22-ND2 111.705 6.749 L55H-N 115.213 7.446 T56H-N 111.646 8.341 Y57H-N 121.961 8.574 R58H-N 115.017 7.306 R58HE-NE 85.273 7.939 T59H-N 119.202 7.336 S60H-N 124.278 8.341 D62H-N 115.653 8.012 T63H-N 118.138 7.772 L64H-N 118.852 7.434 R65H-N 119.106 8.563 R65HE-NE 84.274 7.518 R66H-N 115.807 7.78 V67H-N 115.238 7.778 F68H-N 116.326 8.256 E69H-N 119.225 8.619 K70H-N 118.414 6.87 Y71H-N 115.035 7.619 G72H-N 104.721 7.363 R73H-N 115.782 7.996 V74H-N 130.211 8.862 G75H-N 115.326 9.073 D76H-N 115.706 7.353 V77H-N 122.699 7.451 Y78H-N 126.254 9.156 I79H-N 129.723 8.201 R81H-N 119.862 8.34 R81HE-NE 85.713 7.12 D82H-N 123.986 8.681 R83H-N 126.275 8.738 Y84H-N 117.791 8.523 T85H-N 110.505 9.066 K86H-N 113.729 7.86 E87H-N 119.127 7.721 S88H-N 116.299 8.654 R89H-N 121.221 8.012 R89HE-NE 84.584 7.429 G90H-N 106.752 8.405 F91H-N 112.983 6.914 A92H-N 118.236 8.821 F93H-N 115.842 8.991 V94H-N 122.916 8.625 R95H-N 124.385 8.78 F96H-N 122.679 9.251 H97H-N 119.799 8.022 D98H-N 119.751 9.14 K99H-N 127.656 8.779 R100H-N 118.552 8.598 R100HE-NE 85.583 7.476 D101H-N 119.596 7.079 A102H-N 119.561 6.81 E103H-N 117.453 8.008 D104H-N 120.37 8.008 A105H-N 122.195 8.123 M106H-N 118.587 8.303 D107H-N 116.865 7.696 A108H-N 118.013 7.298 M109H-N 112.292 8.041 D110H-N 119.96 7.8 G111H-N 117.72 8.604 A112H-N 123.735 7.912 V113H-N 118.725 8.068 L114H-N 129.443 8.889 D115H-N 129.558 9.425 G116H-N 100.653 8.005 R117H-N 120.115 7.494 R117HE-NE 84.634 6.909 E118H-N 121.248 8.349 L119H-N 128.085 9.361 R120H-N 121.116 7.484 R120HE-NE 85.175 7.635 V121H-N 126.175 9.376 Q122H-N 122.141 8.496 Q122HE21-NE2 112.378 7.531 Q122HE22-NE2 112.378 6.83 M123H-N 121.805 8.738 A124H-N 127.625 8.643 Y126H-N 120.061 8.17 G127H-N 109.723 8.318 R128H-N 120.983 8.049 R128HE-NE 84.981 7.124 D131H-N 119.731 8.189 S132H-N 115.957 8.071 S135H-N 123.224 8.163