Assignment w1 w2 I3H-N 125.571 8.466 K4H-N 127.372 8.528 I5H-N 124.48 8.409 M6H-N 125.809 8.597 D7H-N 123.964 8.488 G9H-N 109.017 8.632 V10H-N 118.729 7.99 G11H-N 112.169 8.56 D12H-N 120.873 8.372 G13H-N 109.676 8.58 A14H-N 123.887 8.277 T15H-N 113.481 8.191 A16H-N 126.514 8.317 A17H-N 123.026 8.3 K18H-N 120.318 8.295 S19H-N 116.578 8.293 K20H-N 123.566 8.399 R21H-N 122.162 8.316 R21HE-NE 84.495 7.508 L22H-N 123.4 8.298 F23H-N 121.272 8.26 K24H-N 123.722 8.262 E25H-N 122.706 8.439 A26H-N 127.196 8.473 V28H-N 121.799 8.378 V29H-N 126.238 8.454 V30H-N 126.206 8.512 S31H-N 120.825 8.558 G32H-N 111.297 8.359 V34H-N 121.551 8.458 I35H-N 126.534 8.458 G36H-N 113.735 8.561 D37H-N 120.446 8.306 N38H-N 119.909 8.494 N38HD21-ND2 113.672 7.706 N38HD22-ND2 113.672 6.987 I40H-N 121.874 8.356 V41H-N 125.537 8.313 D42H-N 125.157 8.527 A43H-N 124.944 8.448 D44H-N 118.743 8.442 T45H-N 114.639 8.033 I46H-N 124.102 8.152 Q47H-N 125.067 8.543 Q47HE21-NE2 114.914 7.593 Q47HE22-NE2 114.914 7.201 L48H-N 124.385 8.435 D49H-N 121.264 8.449 E50H-N 121.367 8.489 L51H-N 121.283 8.188 A52H-N 123.489 8.053 R53H-N 121.439 8.197 S55H-N 116.842 8.562 L56H-N 125.7 8.391 K58H-N 122.173 8.612 T59H-N 116.019 8.275 K60H-N 124.237 8.564 S61H-N 117.273 8.297 Q62H-N 123.003 8.595 K63H-N 123.088 8.525 S64H-N 117.666 8.535 S65H-N 118.852 8.593 A66H-N 126.241 8.457 A67H-N 123.636 8.404 S68H-N 117.939 8.599 A70H-N 120.5 8.357 A71H-N 122.926 7.898 L72H-N 118.033 8.315 S73H-N 113.446 8.104 G74H-N 108.888 7.643 Y75H-N 122.912 7.973 K76H-N 117.757 8.246 M77H-N 117.27 8.281 T78H-N 118.463 8.556 L79H-N 121.068 8.35 L80H-N 119.759 8.828 A81H-N 121.81 7.836 L82H-N 120.739 7.829 I83H-N 121.522 8.759 K84H-N 117.669 7.627 E85H-N 114.8 7.783 S86H-N 110.695 7.863 I87H-N 121.057 7.918 N89H-N 118.317 7.676 N89HD21-ND2 114.101 8.022 N89HD22-ND2 114.101 7.219 Q90H-N 128.129 9.182 A91H-N 122.293 8.234 K92H-N 119.442 8.092 R93H-N 119.632 8.481 R93HE-NE 83.718 7.683 Q94H-N 117.626 8.232 Q94HE21-NE2 112.933 7.62 Q94HE22-NE2 112.933 6.941 K95H-N 119.398 7.568 F96H-N 117.502 7.977 E97H-N 120.256 9.205 M98H-N 118.334 7.98 Q99H-N 119.375 7.781 Q99HE21-NE2 110.038 7.201 Q99HE22-NE2 110.038 6.789 V100H-N 122.217 8.279 G101H-N 101.884 7.494 G102H-N 104.68 7.492 I103H-N 116.162 7.326 R104H-N 119.936 9.974 R104HE-NE 85.088 7.69 N105H-N 113.157 7.56 N105HD21-ND2 113.46 7.504 N105HD22-ND2 113.46 6.874 E106H-N 119.216 9.192 Q107H-N 121.343 8.375 Q107HE21-NE2 111.88 7.584 Q107HE22-NE2 111.88 6.903 D108H-N 119.936 8.854 F109H-N 120.465 7.716 K110H-N 120.334 8.61 N111H-N 118.694 8.634 N111HD21-ND2 112.655 7.956 N111HD22-ND2 112.655 7.135 L112H-N 122.651 8.101 R113H-N 119.677 8.549 R113HE-NE 83.319 7.259 R114H-N 115.658 7.403 R114HE-NE 84.572 7.316 E115H-N 119.267 7.516 I116H-N 122.496 8.336 I117H-N 119.536 8.059 R118H-N 119.49 8.07 R118HE-NE 83.811 7.545 S119H-N 114.279 7.894 A120H-N 122.574 7.813 A121H-N 121.047 7.685 Q122H-N 124.25 7.804 Q122HE21-NE2 112.849 7.626 Q122HE22-NE2 112.849 7.012