Assignment w1 w2 S5H-N 116.267 8.148 D6H-N 123.039 8.246 D8H-N 119.159 8.314 G9H-N 108.837 8.043 L10H-N 121.571 8.047 A11H-N 125.169 8.33 D12H-N 122.672 8.187 M14H-N 120.151 8.72 K15H-N 123.897 8.565 W16H-N 125.776 9.036 W16HE1-NE1 131.684 10.857 S17H-N 120.772 9.093 K18H-N 121.096 7.652 V19H-N 116.358 8.032 S21H-N 118.882 8.66 G22H-N 109.523 8.496 L23H-N 123.003 7.188 K24H-N 129.004 8.725 N25H-N 126.336 9.528 N25HD21-ND2 113.017 6.835 N25HD22-ND2 113.017 7.631 G26H-N 103.076 8.601 E27H-N 120.878 7.76 L28H-N 128.583 8.899 K29H-N 127.554 8.27 V30H-N 127.915 9.016 E31H-N 125.151 8.741 A32H-N 126.271 9.555 E33H-N 113.076 8.358 G34H-N 104.905 7.619 G35H-N 105.946 8.592 S36H-N 116.044 8.56 S37H-N 119.501 9.251 L38H-N 125.962 7.902 F39H-N 124.707 9.29 A40H-N 124.994 9.328 C41H-N 125.757 9.37 K42H-N 129.019 9.261 N43H-N 113.24 8.5 N43HD21-ND2 113.266 7.422 N43HD22-ND2 113.266 7.35 Y44H-N 119.335 7.331 K45H-N 120.676 8.586 S46H-N 108.797 7.473 F47H-N 117.325 7.571 W48H-N 117.09 8.794 W48HE1-NE1 130.281 10.094 I49H-N 119.682 9.12 S50H-N 124.071 9.36 S51H-N 111.253 7.821 V52H-N 121.147 8.677 K53H-N 126.128 8.875 E54H-N 124.16 8.752 E55H-N 127.218 9.537 G56H-N 104.894 8.543 K57H-N 120.444 7.719 F58H-N 121.824 8.661 K59H-N 123.205 8.68 E60H-N 122.647 8.743 N61H-N 119.907 8.631 N61HD21-ND2 112.888 6.691 N61HD22-ND2 112.888 7.45 T62H-N 113.271 8.244 S63H-N 116.521 7.986 Y64H-N 120.183 8.292 K65H-N 115.195 8.412 E66H-N 117.231 7.383 F67H-N 121.532 9.085 D68H-N 128.157 7.769 G69H-N 114.151 7.759 G70H-N 113.714 8.682 W71H-N 117.823 7.427 W71HE1-NE1 132.896 10.742 Y72H-N 114.204 6.174 L73H-N 121.469 8.811 V74H-N 124.558 8.905 K75H-N 125.824 9.227 I76H-N 124.647 8.701 E77H-N 128.081 8.714 D78H-N 126.158 9.145 N79H-N 118.653 8.427 N79HD21-ND2 113.576 7.098 N79HD22-ND2 113.576 7.826 E80H-N 120.378 8.381 L81H-N 125.771 9.43 K82H-N 128.076 9.512 V83H-N 124.216 8.627 I84H-N 129.084 9.049 I85H-N 127.36 8.822 N86H-N 128.337 8.961 N86HD21-ND2 110.023 6.73 N86HD22-ND2 110.023 7.438 R87H-N 119.368 8.373 N88H-N 125.082 9.452 N88HD21-ND2 110.402 7.095 N88HD22-ND2 110.402 7.283 E89H-N 125.309 9.178 T90H-N 112.516 7.837 N91H-N 116.717 8.287 N91HD21-ND2 110.295 6.718 N91HD22-ND2 110.295 7.391 A92H-N 122.025 7.691 S93H-N 115.895 8.258 R94H-N 119.529 8.334 S95H-N 114.542 8.947 F96H-N 117.183 8.239 T97H-N 115.263 9.264 V98H-N 125.442 9.316 C99H-N 127.111 8.883 V100H-N 120.146 8.995 E101H-N 118.807 8.714 A102H-N 124.088 7.893 G103H-N 111.186 7.713 N104H-N 123.092 8.604 N104HD21-ND2 112.693 6.918 N104HD22-ND2 112.693 7.556 A105H-N 122.653 7.725 F106H-N 116.011 7.83 D107H-N 121.992 8.972 E108H-N 119.354 8.149 F109H-N 122.098 8.456 K110H-N 124.5 8.416 F111H-N 125.01 8.586 V112H-N 122.957 8.609 Q113H-N 130.864 9.934 Q113HE21-NE2 112.021 7.644 Q113HE22-NE2 112.021 7.141 D114H-N 126.272 8.107 A115H-N 120.134 7.955 A116H-N 121.377 8.005 K117H-N 121.536 8.226 Q118H-N 127.105 7.965 Q118HE21-NE2 112.522 7.392 Q118HE22-NE2 112.522 6.744