Assignment w1 w2 A5H-N 125.35 8.466 T6H-N 112.659 8.142 T7H-N 114.712 8.054 K8H-N 120.051 8.255 R9H-N 115.396 7.956 V10H-N 117.796 7.598 L11H-N 127.505 9.592 Y12H-N 123.768 9.169 V13H-N 127.336 8.112 G14H-N 112.37 9.233 G15H-N 107.594 8.095 L16H-N 116.421 7.945 A17H-N 126.618 8.492 E18H-N 122.657 9.025 E19H-N 114.296 8.971 V20H-N 119.231 7.47 D21H-N 125.199 6.715 D22H-N 115.981 8.733 K23H-N 121.233 7.602 V24H-N 122.151 8.24 L25H-N 118.521 7.981 H26H-N 119.174 8.573 A27H-N 117.816 7.8 A28H-N 117.217 7.829 F29H-N 112.232 7.806 I30H-N 123.398 8.621 F32H-N 112.057 7.531 G33H-N 106.043 7.555 D34H-N 114.298 7.969 I35H-N 124.548 7.473 T36H-N 121.581 8.97 D37H-N 119.701 7.544 I38H-N 122.749 7.919 Q39H-N 125.705 8.934 Q39HE21-NE2 112.557 7.976 Q39HE22-NE2 112.557 6.584 I40H-N 124.275 8.742 L42H-N 121.545 8.213 D43H-N 122.523 8.548 E45H-N 116.246 8.383 T46H-N 107.056 7.896 E47H-N 115.954 8.202 K48H-N 117.354 7.642 H49H-N 118.114 8.188 R50H-N 119.382 8.868 G51H-N 112.743 10.693 F52H-N 114.721 6.999 A53H-N 119.672 8.612 F54H-N 114.262 8.618 V55H-N 122.358 8.62 E56H-N 129.229 8.951 F57H-N 126.447 8.619 E58H-N 121.318 8.099 L59H-N 116.298 9.328 A60H-N 127.155 9.006 E61H-N 118.589 9.95 D62H-N 124.063 6.773 A63H-N 121.69 6.957 A64H-N 117.654 7.758 A65H-N 121.319 7.293 A66H-N 122.111 7.832 I67H-N 118.707 7.829 D68H-N 116.601 7.407 N69H-N 112.726 7.395 N69HD21-ND2 115.419 7.248 N69HD22-ND2 115.419 7.676 M70H-N 113.606 8.238 N71H-N 119.569 8.168 N71HD21-ND2 116.265 7.101 N71HD22-ND2 116.265 7.945 E72H-N 121.484 8.609 S73H-N 115.074 7.647 E74H-N 117.787 8.276 L75H-N 126.823 9.026 F76H-N 128.897 9.787 G77H-N 102.139 8.675 R78H-N 119.147 7.551 T79H-N 119.036 8.392 I80H-N 121.735 8.79 R81H-N 121.958 8.187 V82H-N 122.972 8.954 N83H-N 120.682 8.951 N83HD21-ND2 111.291 7.194 N83HD22-ND2 111.291 6.521 L84H-N 121.245 8.832 A85H-N 126.588 8.699 M88H-N 120.565 8.176 R89H-N 120.204 8.167 I90H-N 122.15 8.126 K91H-N 125.568 8.356 E92H-N 123.248 8.473 G93H-N 110.725 8.488 S94H-N 115.453 8.119 S95H-N 117.711 8.348 R96H-N 123.034 8.115 V98H-N 119.304 8.007 W99H-N 122.097 7.748 W99HE1-NE1 129.653 10.083 S100H-N 116.292 8.013 D101H-N 122.067 8.29 D102H-N 120.146 8.227 D103H-N 121.992 8.329 W104H-N 120.749 7.95 W104HE1-NE1 129.607 10.053 L105H-N 119.157 7.74 K106H-N 119.195 7.748 K107H-N 119.223 7.671 F108H-N 118.738 7.882 S109H-N 116.157 7.962 G110H-N 110.325 8.041 K111H-N 120.704 8.03 T112H-N 115.667 8.16 L113H-N 124.348 8.233 E114H-N 121.571 8.299 E115H-N 121.424 8.304 N116H-N 120.195 8.394 N116HD21-ND2 112.931 7.529 N116HD22-ND2 112.931 6.859 K117H-N 126.708 7.787