Assignment w1 w2 L10H-N 122.371 8.177 L11H-N 122.488 8.055 S12H-N 116.472 8.082 K13H-N 121.796 8.16 Y14H-N 124.96 8.306 D15H-N 129.179 8.398 Q17H-N 119.959 8.386 Q17HE21-NE2 112.42 7.638 Q17HE22-NE2 112.42 6.802 K18H-N 118.004 7.221 E19H-N 118.846 7.209 A20H-N 121.301 7.353 E21H-N 118.054 7.531 L22H-N 120.041 8.203 R23H-N 119.647 9.005 R23HE-NE 85.497 8.331 T24H-N 113.681 7.92 W25H-N 122.959 7.874 W25HE1-NE1 131.289 10.274 I26H-N 117.356 9.066 E27H-N 120.668 8.965 G28H-N 107.378 7.872 L29H-N 118.903 7.478 T30H-N 102.71 7.519 G31H-N 110.707 8.111 L32H-N 120.583 7.547 S33H-N 112.279 7.888 I34H-N 128.181 9.682 G35H-N 105.48 8.279 D37H-N 118.019 7.705 F38H-N 130.147 9.049 Q39H-N 116.759 8.218 Q39HE21-NE2 106.188 7.107 Q39HE22-NE2 106.188 5.933 K40H-N 118.031 8.153 G41H-N 104.267 8.21 L42H-N 116.151 6.992 K43H-N 122.108 7.507 D44H-N 109.989 8.26 G45H-N 103.794 7.794 T46H-N 114.958 8.824 I47H-N 125.145 7.978 L48H-N 119.262 8.772 C49H-N 115.37 8.068 T50H-N 116.749 7.657 L51H-N 123.266 8.329 M52H-N 118.078 8.126 N53H-N 116.331 7.581 N53HD21-ND2 109.238 7.369 N53HD22-ND2 109.238 7.066 K54H-N 118.965 7.598 L55H-N 118.132 7.639 Q56H-N 118.188 8.613 Q56HE21-NE2 111.058 7.382 Q56HE22-NE2 111.058 6.736 G58H-N 112.375 8.336 S59H-N 116.946 8.199 V60H-N 121.143 9.013 K62H-N 116.767 7.657 I63H-N 125.789 8.572 N64H-N 125.765 9.385 N64HD21-ND2 117.215 7.33 N64HD22-ND2 117.215 8.018 S66H-N 115.618 7.637 M67H-N 119.888 8.57 Q68H-N 119.894 8.57 Q68HE21-NE2 111.935 7.401 Q68HE22-NE2 111.935 6.869 N69H-N 124.227 9.08 N69HD21-ND2 111.18 7.68 N69HD22-ND2 111.18 7.002 W70H-N 115.992 8.224 W70HE1-NE1 129.455 9.702 H71H-N 119.864 6.318 Q72H-N 121.745 7.369 Q72HE21-NE2 107.378 7.039 Q72HE22-NE2 107.378 6.606 L73H-N 118.83 8.122 E74H-N 120.458 7.716 N75H-N 116.811 7.476 N75HD21-ND2 110.79 8.292 N75HD22-ND2 110.79 8.138 L76H-N 117.797 7.914 S77H-N 114.953 8.799 N78H-N 119.998 8.664 N78HD21-ND2 113.951 8.324 N78HD22-ND2 113.951 7.122 F79H-N 124.943 8.633 I80H-N 120.789 8.331 K81H-N 117.635 8.03 A82H-N 122.231 7.856 M83H-N 120.293 8.081 V84H-N 119.961 7.658 S85H-N 118.063 8.005 Y86H-N 121.538 7.969 G87H-N 101.929 7.629 M88H-N 118.102 7.758 N89H-N 122.815 9.166 N89HD21-ND2 113.868 6.918 N89HD22-ND2 113.868 7.718 V91H-N 112.427 7.77 D92H-N 118.725 7.884 L93H-N 116.007 6.882 F94H-N 112.178 6.437 E95H-N 119.588 8.983 A96H-N 125.98 9.165 N97H-N 113.976 9.238 N97HD21-ND2 110.177 6.595 N97HD22-ND2 110.177 7.493 D98H-N 122.005 8.471 L99H-N 112.757 6.785 F100H-N 120.959 9.35 E101H-N 110.657 7.477 S102H-N 111.364 7.29 G103H-N 106.336 7.75 N104H-N 116.103 8.734 N104HD21-ND2 111.651 7.842 N104HD22-ND2 111.651 6.855 M105H-N 122.442 9.122 T106H-N 118.464 8.452 Q107H-N 121.377 7.314 Q107HE21-NE2 110.662 6.691 Q107HE22-NE2 110.662 7.522 V108H-N 118.025 7.282 Q109H-N 118.313 8.092 Q109HE21-NE2 109.201 5.67 Q109HE22-NE2 109.201 6.375 V110H-N 117.849 8.44 S111H-N 116.053 8.448 L112H-N 117.329 8.571 L113H-N 118.869 8.512 A114H-N 124.528 8.145 L115H-N 124.937 8.706 A116H-N 121.409 8.132 G117H-N 104.992 7.95 K118H-N 124.138 8.134 A119H-N 122.298 8.824 K120H-N 117.787 7.815 T121H-N 111.998 7.72 K122H-N 121.757 7.944 G123H-N 107.144 8.029 L124H-N 121.184 7.914 Q125H-N 120.589 8.315 Q125HE21-NE2 112.074 7.439 Q125HE22-NE2 112.074 6.784 S126H-N 116.17 8.25 G127H-N 110.447 8.362 V128H-N 118.261 7.817 D129H-N 123.618 8.347 I130H-N 120.411 8.007 G131H-N 111.538 8.391 V132H-N 119.361 7.777 K133H-N 124.608 8.231 Y134H-N 121.715 8.188 S135H-N 117.129 8.058 E136H-N 122.734 8.334 K137H-N 121.382 8.185 Q138H-N 121.261 8.251 Q138HE21-NE2 112.197 6.765 Q138HE22-NE2 112.197 7.431 E139H-N 122.361 8.394 R140H-N 121.772 8.344 S141H-N 116.837 8.298 G142H-N 110.358 8.187 S144H-N 116.002 8.461 S145H-N 117.416 8.243 G146H-N 116.481 7.964