Assignment w1 w2 D9H-N 127.44 7.941 G10H-N 112.18 8.806 S11H-N 117.27 8.793 G12H-N 104.41 9.91 S13H-N 115.0 9.519 I14H-N 126.95 7.624 I15H-N 126.91 9.165 D18H-N 118.9 7.45 F19H-N 124.27 8.308 R20H-N 116.39 8.041 R21H-N 119.48 7.596 M22H-N 118.57 8.347 K23H-N 116.81 7.266 E24H-N 119.31 7.416 F25H-N 121.91 8.874 E57H-N 119.96 8.005 F58H-N 120.39 8.733 Q59H-N 117.16 8.412 T72H-N 120.08 8.221 Q73H-N 126.38 8.458 L74H-N 129.66 9.04 L75H-N 109.28 7.865 G76H-N 104.65 7.836 R77H-N 117.531 8.514 T95H-N 117.1 8.706 N96H-N 117.6 7.95 G97H-N 106.39 8.173 A98H-N 121.73 7.145 R99H-N 124.77 10.356 K100H-N 124.26 8.649 D111H-N 124.27 7.172 G112H-N 103.65 7.885 E113H-N 116.52 6.923 K114H-N 130.06 10.229 F115H-N 127.58 9.743 G116H-N 115.71 8.489 L119H-N 118.12 8.555 G120H-N 107.71 9.057 Y121H-N 120.81 8.832 E122H-N 119.38 10.209 E127H-N 117.52 7.342 A128H-N 121.04 7.653 D129H-N 116.8 8.53 R130H-N 123.0 8.38 E131H-N 115.46 7.714 G132H-N 107.54 7.743 V133H-N 119.45 7.798 G141H-N 108.6 8.574 D142H-N 127.57 9.309 A143H-N 121.26 7.589 F144H-N 109.21 8.681 R145H-N 119.31 8.101 S146H-N 111.55 7.195 E147H-N 125.56 8.992 S149H-N 115.17 7.636 R150H-N 123.41 8.114 E152H-N 123.1 7.902 L153H-N 115.19 7.8 N154H-N 114.1 7.43 T155H-N 116.96 7.941 I156H-N 120.46 7.291 A157H-N 119.77 7.163 S158H-N 119.06 8.253 V165H-N 119.77 6.972 F166H-N 124.31 9.382 Q167H-N 121.0 8.47 Q180H-N 119.2 8.289 L181H-N 119.1 8.33 R182H-N 118.23 8.273 E183H-N 116.77 7.859 N1H-N 120.918 8.551 N1HD21-ND2 113.4 6.88 N1HD22-ND2 113.4 7.64 W2H-N 121.791 8.01 W2HE1-NE1 129.8 10.2 K3H-N 122.289 7.751 K4H-N 121.691 7.963 Q5H-N 120.611 8.177 F6H-N 119.964 7.99 G7H-N 110.674 8.427 A8H-N 124.213 8.316 E9H-N 117.489 8.697 C10H-N 119.305 7.758 K11H-N 123.248 8.174 Y12H-N 122.635 8.769 Q13H-N 120.984 8.573 F14H-N 127.389 9.255 Q15H-N 121.514 8.273 A16H-N 122.414 8.293 W17H-N 120.412 8.136 W17HE1-NE1 129.8 10.2 G18H-N 109.881 8.763 E19H-N 116.9 8.4 C20H-N 121.846 8.98 D21H-N 131.728 8.279 L22H-N 127.191 8.763 N23H-N 116.238 8.746 T24H-N 108.459 7.666 A25H-N 122.87 8.687 L26H-N 117.374 7.353 K27H-N 122.053 9.043 T28H-N 114.896 9.011 R29H-N 123.804 9.056 T30H-N 117.796 8.387 G31H-N 112.501 9.074 S32H-N 115.802 8.217 L33H-N 128.595 8.555 K34H-N 128.646 9.065 R35H-N 118.834 7.641 A36H-N 127.574 8.451 L37H-N 123.296 8.654 H38H-N 116.413 8.642 N39H-N 115.824 8.461 A40H-N 122.558 7.791 E41H-N 120.504 8.478 C42H-N 122.399 7.978 Q43H-N 123.539 8.864 K44H-N 125.153 9.063 T45H-N 111.208 7.706 V46H-N 117.395 8.192 T47H-N 117.862 8.332 I48H-N 124.431 8.868 S49H-N 118.43 8.559 K50H-N 121.976 9.06 C52H-N 118.313 8.237 G53H-N 108.677 8.22 K54H-N 121.361 8.239 L55H-N 123.971 8.34 T56H-N 116.653 8.15 K57H-N 125.77 8.29