Assignment w1 w2 E2H-N 120.156 7.767 A3H-N 125.971 8.369 I4H-N 121.0 8.161 L5H-N 128.377 8.274 I7H-N 121.013 8.077 A8H-N 127.259 8.323 S9H-N 114.681 8.202 S10H-N 117.843 8.183 C11H-N 119.667 8.369 C12H-N 123.195 10.18 T13H-N 116.471 9.08 E14H-N 121.584 7.607 V15H-N 114.642 8.26 S16H-N 117.819 8.612 H17H-N 117.587 8.118 H18H-N 118.529 7.889 I19H-N 120.55 7.934 S20H-N 119.267 7.722 R21H-N 124.751 8.939 R22H-N 117.146 8.02 L23H-N 119.831 7.216 L24H-N 116.339 7.061 E25H-N 115.368 7.395 R26H-N 116.26 7.598 V27H-N 120.886 7.123 N28H-N 123.647 9.044 N28HD21-ND2 112.223 7.687 N28HD22-ND2 112.223 6.966 M29H-N 117.862 7.591 C30H-N 122.725 9.01 R31H-N 125.037 9.452 I32H-N 121.612 8.492 Q33H-N 130.621 9.153 Q33HE21-NE2 114.261 8.687 Q33HE22-NE2 114.261 7.234 R34H-N 126.813 8.68 A35H-N 123.2 8.356 D36H-N 122.913 8.291 G37H-N 108.273 8.16 D38H-N 122.264 8.453 C39H-N 116.122 7.986 D40H-N 118.804 8.094 L41H-N 118.659 7.377 A42H-N 126.611 8.355 A43H-N 120.342 8.811 V44H-N 122.155 9.038 I45H-N 127.797 9.386 L46H-N 126.602 9.129 H47H-N 121.357 8.552 V48H-N 123.524 8.42 K49H-N 125.472 9.155 R50H-N 118.596 8.339 R51H-N 120.67 8.144 R52H-N 124.022 8.437 I53H-N 126.673 9.218 C54H-N 126.05 8.821 V55H-N 122.385 9.484 S56H-N 118.596 8.355 H58H-N 113.49 7.537 N59H-N 120.376 7.314 N59HD21-ND2 113.733 7.611 N59HD22-ND2 113.733 7.474 T61H-N 117.762 7.74 V62H-N 123.241 8.515 K63H-N 121.354 8.314 Q64H-N 118.813 8.045 Q64HE21-NE2 111.859 7.253 Q64HE22-NE2 111.859 6.88 W65H-N 121.887 7.969 W65HE1-NE1 130.898 10.007 M66H-N 118.164 8.875 K67H-N 119.759 7.545 V68H-N 120.679 7.811 Q69H-N 118.101 8.088 Q69HE21-NE2 113.743 6.202 Q69HE22-NE2 113.743 6.865 A70H-N 119.775 7.701 A71H-N 118.697 7.248 K72H-N 118.697 7.232 K73H-N 123.074 8.153 N74H-N 116.989 8.378 N74HD21-ND2 112.779 7.551 N74HD22-ND2 112.779 6.873 G75H-N 107.247 8.275 K76H-N 119.128 7.769 G77H-N 108.797 8.317 N78H-N 119.642 7.738 N78HD21-ND2 111.697 7.437 N78HD22-ND2 111.697 6.596 V79H-N 120.201 7.882 C80H-N 120.413 8.283 H81H-N 121.936 8.047 R82H-N 122.589 8.617 K83H-N 124.179 8.528 K84H-N 125.283 8.516 H85H-N 120.57 8.402 G87H-N 110.516 8.339 K88H-N 119.837 8.249 R89H-N 122.836 8.442 N90H-N 120.701 8.533 N90HD21-ND2 112.706 7.451 N90HD22-ND2 112.706 6.797 S91H-N 116.662 8.302 N92H-N 121.006 8.368 N92HD21-ND2 113.219 6.756 N92HD22-ND2 113.219 6.267 R93H-N 121.537 8.209 A94H-N 124.533 8.204 H95H-N 118.401 8.223 Q96H-N 121.698 8.203 G97H-N 110.344 8.435 K98H-N 120.902 8.204 T101H-N 115.153 8.157 Y102H-N 122.527 8.195 G103H-N 110.491 8.245 H104H-N 119.004 8.108 K105H-N 122.651 8.364 T106H-N 128.12 8.421 Y108H-N 124.019 7.353