Assignment w1 w2 Q1H-N 122.203 8.351 Q1HE21-NE2 111.93 6.497 Q1HE22-NE2 111.93 7.304 K3H-N 120.218 8.196 A4H-N 129.365 9.573 A5H-N 126.445 8.391 S7H-N 116.681 8.785 V8H-N 127.492 8.61 T9H-N 123.017 8.737 L10H-N 128.045 8.391 F11H-N 126.157 9.356 S14H-N 118.412 8.439 S15H-N 117.389 8.958 E16H-N 120.501 8.576 E17H-N 122.023 7.69 L18H-N 119.587 7.867 Q19H-N 118.715 7.865 Q19HE21-NE2 111.679 6.765 Q19HE22-NE2 111.679 7.311 A20H-N 122.589 7.527 N21H-N 113.776 8.025 N21HD21-ND2 112.045 6.761 N21HD22-ND2 112.045 7.462 K22H-N 118.541 7.871 A23H-N 120.594 7.667 T24H-N 118.944 8.164 L25H-N 127.42 8.697 V26H-N 119.827 7.699 C27H-N 130.052 9.752 L28H-N 127.979 9.337 I29H-N 126.459 8.421 S30H-N 120.247 9.204 D31H-N 119.105 8.077 F32H-N 110.745 7.899 Y33H-N 120.575 9.146 G35H-N 108.373 8.342 A36H-N 124.905 7.593 V37H-N 117.193 8.325 T38H-N 115.875 8.193 V39H-N 125.441 8.764 A40H-N 131.73 9.078 W41H-N 120.854 9.037 W41HE1-NE1 128.901 10.084 K42H-N 119.35 8.906 A43H-N 123.535 8.504 D44H-N 124.843 9.041 S45H-N 113.489 8.312 S46H-N 119.774 8.193 V48H-N 122.935 7.989 N49H-N 123.24 8.717 N49HD21-ND2 112.56 6.813 N49HD22-ND2 112.56 7.538 A50H-N 123.022 7.479 G51H-N 108.124 8.547 V52H-N 119.758 7.415 E53H-N 125.444 8.768 T54H-N 115.499 8.365 T55H-N 120.583 9.302 K56H-N 120.808 8.414 S58H-N 118.514 9.287 K59H-N 128.882 8.91 Q60H-N 125.485 8.774 Q60HE21-NE2 113.682 7.176 Q60HE22-NE2 113.682 7.177 S61H-N 117.557 8.863 N62H-N 117.243 7.468 N62HD21-ND2 108.703 6.796 N62HD22-ND2 108.703 7.186 N63H-N 111.037 8.039 N63HD21-ND2 113.22 6.764 N63HD22-ND2 113.22 7.302 K64H-N 116.717 7.332 Y65H-N 117.861 8.874 A66H-N 116.97 8.072 A67H-N 121.556 9.691 S68H-N 112.259 8.072 S69H-N 115.637 9.02 Y70H-N 127.476 9.449 L71H-N 124.86 8.229 S72H-N 122.661 8.529 L73H-N 125.56 8.16 T74H-N 110.466 8.176 E76H-N 115.214 8.361 W78H-N 120.18 7.87 W78HE1-NE1 128.534 10.518 K79H-N 111.321 7.542 S80H-N 112.58 7.551 H81H-N 116.842 6.93 H81HD1-ND1 110.616 7.818 K82H-N 121.518 9.66 S83H-N 110.582 7.82 Y84H-N 119.38 8.921 S85H-N 112.823 9.157 C86H-N 122.927 8.403 Q87H-N 124.675 8.816 Q87HE21-NE2 111.639 6.632 Q87HE22-NE2 111.639 7.373 V88H-N 128.025 9.186 T89H-N 125.277 9.173 H90H-N 127.783 8.85 H90HD1-ND1 128.584 8.852 E91H-N 126.24 9.36 G92H-N 104.125 8.373 S93H-N 116.949 7.941 T94H-N 122.668 8.855 V95H-N 126.604 8.974 E96H-N 125.036 8.565 K97H-N 122.778 8.174 T98H-N 115.588 8.361 V99H-N 119.999 9.127 A100H-N 125.237 8.349 A102H-N 122.925 8.319 E103H-N 119.295 8.292 S104H-N 116.309 8.213 S105H-N 117.918 8.322 E106H-N 122.033 8.352 N107H-N 118.798 8.262 N107HD21-ND2 108.722 6.797 N107HD22-ND2 108.722 7.186 L108H-N 121.964 7.93 Y109H-N 119.59 7.898 F110H-N 121.404 7.92 Q111H-N 125.94 7.689 Q111HE21-NE2 113.793 7.169 Q111HE22-NE2 113.793 8.031