Assignment w1 w2 M3H-N 122.481 8.516 S4H-N 117.445 8.379 N5H-N 120.765 8.505 N5HD21-ND2 112.647 6.819 N5HD22-ND2 112.647 7.524 G6H-N 108.808 8.323 Y7H-N 120.011 7.949 E8H-N 122.147 8.294 D9H-N 120.902 8.152 H10H-N 118.531 8.293 M11H-N 120.928 8.261 A12H-N 124.756 8.216 E13H-N 119.683 8.279 D14H-N 120.665 8.266 C15H-N 119.45 8.21 R16H-N 122.548 8.246 G17H-N 108.957 8.273 D18H-N 120.426 8.204 I19H-N 119.858 7.867 G20H-N 111.356 8.419 R21H-N 119.992 8.031 T22H-N 108.685 8.082 N23H-N 120.362 7.791 N23HD21-ND2 110.102 7.267 N23HD22-ND2 110.102 6.262 L24H-N 127.068 9.658 I25H-N 121.121 9.15 V26H-N 128.017 8.647 N27H-N 123.723 9.12 N27HD21-ND2 109.361 7.142 N27HD22-ND2 109.361 6.124 Y28H-N 114.478 8.328 L29H-N 114.273 7.828 Q31H-N 124.798 9.025 Q31HE21-NE2 112.008 6.91 Q31HE22-NE2 112.008 7.525 N32H-N 112.513 8.205 N32HD21-ND2 112.004 7.514 N32HD22-ND2 112.004 6.881 M33H-N 121.623 7.205 T34H-N 118.468 8.523 Q35H-N 121.485 9.163 Q35HE21-NE2 112.432 6.95 Q35HE22-NE2 112.432 7.678 D36H-N 118.062 8.329 E37H-N 121.439 7.624 L38H-N 122.938 8.142 R39H-N 118.144 8.267 S40H-N 116.148 8.485 L41H-N 122.746 8.019 F42H-N 116.763 7.852 S43H-N 121.383 8.924 S44H-N 115.753 7.282 I45H-N 120.016 7.064 G46H-N 104.593 7.102 E47H-N 117.16 8.182 V48H-N 129.092 8.905 E49H-N 130.869 9.164 S50H-N 109.231 7.576 A51H-N 123.12 8.086 K52H-N 122.469 8.904 L53H-N 126.565 8.671 I54H-N 127.501 8.225 R55H-N 125.006 8.077 D56H-N 121.881 8.54 K57H-N 124.141 8.632 V58H-N 119.864 8.084 A59H-N 122.914 8.779 G60H-N 105.85 7.764 H61H-N 117.545 7.708 S62H-N 115.275 8.836 L63H-N 125.759 8.976 G64H-N 108.121 9.109 Y65H-N 113.628 7.361 G66H-N 104.947 8.596 F67H-N 116.557 8.713 V68H-N 122.931 8.575 N69H-N 125.329 8.747 N69HD21-ND2 112.601 7.68 N69HD22-ND2 112.601 6.457 Y70H-N 125.899 8.564 V71H-N 118.397 7.752 T72H-N 109.76 8.943 A73H-N 126.86 8.755 K74H-N 118.741 8.354 D75H-N 119.922 7.298 A76H-N 122.214 6.977 E77H-N 116.819 7.674 R78H-N 119.226 7.668 A79H-N 124.9 8.486 I80H-N 119.216 7.787 N81H-N 114.706 7.65 N81HD21-ND2 112.869 7.036 N81HD22-ND2 112.869 7.495 T82H-N 112.108 8.098 L83H-N 119.286 8.589 N84H-N 114.928 7.38 N84HD21-ND2 114.749 7.781 N84HD22-ND2 114.749 6.995 G85H-N 116.511 8.452 L86H-N 123.551 7.404 R87H-N 125.939 8.169 L88H-N 128.568 8.586 Q89H-N 121.032 9.035 Q89HE21-NE2 112.957 7.536 Q89HE22-NE2 112.957 7.155 S90H-N 112.679 8.241 K91H-N 122.316 8.09 T92H-N 117.462 8.047 I93H-N 121.25 8.505 K94H-N 123.518 8.283 V95H-N 126.852 8.741 S96H-N 118.989 8.544 Y97H-N 119.734 8.389 A98H-N 125.207 8.714 R99H-N 120.92 8.702