Assignment w1 w2 S5H-N 116.998 8.31 T6H-N 115.312 8.072 D7H-N 123.948 8.188 V9H-N 120.44 8.066 A10H-N 123.1 7.642 A11H-N 118.938 8.427 S12H-N 115.385 7.632 I13H-N 124.5 7.891 M14H-N 117.162 7.84 K15H-N 122.384 7.809 I16H-N 119.43 8.054 Y17H-N 111.853 7.606 T18H-N 108.51 8.163 F19H-N 121.874 8.935 N20H-N 114.868 6.528 K21H-N 123.948 9.72 D22H-N 118.595 8.012 Q23H-N 125.684 8.845 Q23HE21-NE2 113.215 6.909 Q23HE22-NE2 113.215 7.251 D24H-N 120.533 8.353 R25H-N 121.232 7.61 V26H-N 121.872 7.991 K27H-N 119.351 7.839 L28H-N 117.088 7.421 G29H-N 109.997 8.12 V30H-N 122.147 8.936 D31H-N 119.525 8.281 T32H-N 116.471 7.473 A34H-N 119.884 8.709 K35H-N 117.408 7.444 Y36H-N 117.617 7.716 L37H-N 117.501 8.055 D38H-N 122.536 9.122 N39H-N 116.212 7.892 N39HD21-ND2 111.266 6.799 N39HD22-ND2 111.266 7.544 I40H-N 118.358 7.074 H41H-N 116.647 7.607 L42H-N 115.85 8.192 H43H-N 114.581 7.231 E45H-N 117.623 9.289 E46H-N 120.806 7.483 E47H-N 129.327 8.851 K48H-N 117.524 8.883 Y49H-N 114.868 6.669 R50H-N 113.951 7.63 K51H-N 117.413 7.03 I52H-N 124.946 9.338 K53H-N 129.908 8.452 L54H-N 127.631 7.141 Q55H-N 115.089 8.307 N56H-N 120.779 7.238 N56HD21-ND2 113.882 6.844 N56HD22-ND2 113.882 7.672 V58H-N 118.358 7.732 F59H-N 121.903 7.92 Q60H-N 118.831 8.879 E61H-N 115.099 8.424 R62H-N 111.698 8.088 I63H-N 114.807 7.471 N64H-N 117.195 8.186 N64HD21-ND2 115.58 7.073 N64HD22-ND2 115.58 7.902 C65H-N 108.655 7.002 L66H-N 123.312 7.345 E67H-N 124.995 9.405 G68H-N 109.6 8.632 T69H-N 109.676 7.307 H70H-N 122.59 8.306 E71H-N 118.305 8.717 F72H-N 122.189 7.971 F73H-N 116.861 8.051 E74H-N 116.1 7.973 A75H-N 122.96 8.269 I76H-N 107.943 7.31 G77H-N 104.613 7.127 F78H-N 119.436 8.373 Q79H-N 118.909 8.951 K80H-N 126.756 9.183 V81H-N 125.39 9.269 L82H-N 124.229 8.16 L83H-N 125.977 9.011 A85H-N 125.949 8.731 Q86H-N 119.006 8.357 D87H-N 118.779 8.539 Q88H-N 115.739 7.844 E89H-N 120.165 8.242 D90H-N 120.051 8.119 E92H-N 119.778 8.546 F94H-N 122.182 9.089 Y95H-N 118.981 8.801 V96H-N 120.602 9.461 L97H-N 129.557 8.297 S98H-N 121.42 8.243 E99H-N 122.904 8.846 T100H-N 112.775 7.92 T101H-N 118.498 7.549 L102H-N 121.274 7.82 A103H-N 118.567 7.279 Q104H-N 116.944 7.477 Q106H-N 118.968 8.863 S107H-N 116.411 7.942 L108H-N 121.886 7.557 E109H-N 117.793 7.338 R110H-N 118.906 7.39 H111H-N 119.159 8.004 K112H-N 120.52 8.309 E113H-N 117.116 8.001 Q114H-N 119.573 8.148 Q114HE21-NE2 109.317 6.797 Q114HE22-NE2 109.317 7.494 L115H-N 121.268 8.0 L116H-N 117.362 7.731 A117H-N 121.003 7.624 A118H-N 120.49 7.228 E119H-N 122.897 7.286