Assignment w1 w2 S17H-N 117.682 8.603 D18H-N 121.757 8.213 V19H-N 120.894 8.05 E20H-N 120.017 8.027 E21H-N 119.714 7.876 I22H-N 120.93 7.827 F23H-N 121.115 8.546 K24H-N 122.404 8.445 T25H-N 114.179 8.606 T26H-N 117.57 8.432 T27H-N 109.255 7.992 Q28H-N 121.832 7.533 E29H-N 119.898 8.372 V30H-N 117.828 8.439 R31H-N 120.995 8.18 Q32H-N 116.32 7.853 L33H-N 120.432 8.159 L34H-N 114.666 8.511 R35H-N 118.058 8.276 C36H-N 112.604 7.385 D37H-N 118.124 7.767 R38H-N 118.681 8.19 V39H-N 128.34 9.096 A40H-N 128.536 9.781 V41H-N 118.024 8.674 Y42H-N 132.424 9.15 R43H-N 127.953 8.149 R43HE-NE 83.647 6.861 F44H-N 123.496 7.852 N45H-N 120.536 8.763 N47H-N 110.986 7.262 N47HD21-ND2 112.272 7.797 N47HD22-ND2 112.272 7.132 W48H-N 111.153 7.799 W48HE1-NE1 128.006 9.913 T49H-N 105.096 6.971 G50H-N 106.099 7.039 E51H-N 114.035 7.215 F52H-N 120.62 8.604 V53H-N 114.931 8.657 A54H-N 120.08 7.64 E55H-N 116.39 9.096 S56H-N 113.401 8.913 V57H-N 128.147 9.06 A58H-N 129.027 8.274 H59H-N 117.64 8.498 T60H-N 110.857 7.251 W61H-N 120.623 6.666 W61HE1-NE1 129.416 10.218 V62H-N 121.763 9.661 K63H-N 124.877 8.474 L64H-N 121.576 10.384 V65H-N 119.257 7.451 G66H-N 115.444 8.618 D68H-N 115.198 8.636 I69H-N 118.329 7.436 K70H-N 126.558 8.499 T71H-N 123.826 8.948 V72H-N 127.201 8.87 W73H-N 125.278 8.647 W73HE1-NE1 128.532 10.052 E74H-N 129.727 9.888 D75H-N 124.688 9.091 T76H-N 120.086 7.324 H77H-N 121.271 6.698 L78H-N 121.044 8.618 Q79H-N 115.363 7.801 Q79HE21-NE2 109.136 6.958 Q79HE22-NE2 109.136 6.58 E80H-N 119.44 8.268 T81H-N 104.795 7.254 Q82H-N 119.065 6.948 Q82HE21-NE2 111.815 7.376 Q82HE22-NE2 111.815 6.631 G83H-N 100.599 7.959 G84H-N 106.115 7.127 R85H-N 123.193 9.05 Y86H-N 124.564 7.059 A87H-N 120.287 6.981 Q88H-N 113.829 7.232 G89H-N 106.945 8.223 E90H-N 120.765 7.294 N91H-N 113.265 7.93 N91HD21-ND2 111.221 7.23 N91HD22-ND2 111.221 6.318 F92H-N 120.633 9.152 V93H-N 126.112 7.618 V94H-N 128.667 9.014 N95H-N 129.791 8.868 N95HD21-ND2 109.312 7.314 N95HD22-ND2 109.312 6.694 D96H-N 114.002 6.773 I97H-N 119.423 7.587 Y98H-N 116.902 8.293 Q99H-N 116.737 7.537 V100H-N 112.822 7.15 G101H-N 112.545 8.471 H102H-N 119.466 8.79 S103H-N 121.402 10.807 H106H-N 124.647 7.232 H106HD1-ND1 165.97 12.013 I107H-N 118.838 7.849 E108H-N 115.754 7.754 I109H-N 119.874 6.793 L110H-N 118.95 7.491 E111H-N 116.181 8.653 Q112H-N 122.778 7.736 Q112HE21-NE2 110.506 7.014 Q112HE22-NE2 110.506 6.659 F113H-N 115.948 7.237 E114H-N 114.937 7.814 V115H-N 118.123 7.689 K116H-N 121.105 9.216 A117H-N 124.89 8.691 Y118H-N 119.275 9.773 V119H-N 118.29 8.591 I120H-N 124.203 9.038 V121H-N 118.2 8.881 V123H-N 119.714 8.062 F124H-N 128.113 9.481 A125H-N 125.748 8.896 G126H-N 114.805 8.855 E127H-N 123.66 9.026 Q128H-N 119.033 7.778 L129H-N 128.138 9.065 W130H-N 132.542 9.123 W130HE1-NE1 129.609 10.263 G131H-N 105.335 8.467 L132H-N 117.632 9.238 L133H-N 124.598 8.75 A134H-N 128.686 8.793 A135H-N 123.332 8.671 Y136H-N 116.156 9.341 Q137H-N 126.779 9.735 Q137HE21-NE2 109.795 6.932 Q137HE22-NE2 109.795 6.453 N138H-N 128.88 11.279 S139H-N 114.3 8.154 G140H-N 107.801 7.166 T141H-N 106.536 7.608 R142H-N 120.562 8.068 R142HE-NE 87.986 7.18 D143H-N 125.326 8.141 W144H-N 126.878 7.201 W144HE1-NE1 128.022 8.631 D145H-N 126.419 9.579 E146H-N 124.781 9.003 S147H-N 115.577 8.905 E148H-N 125.11 7.725 V149H-N 119.722 7.656 T150H-N 114.317 8.428 L151H-N 123.366 7.567 L152H-N 120.336 7.967 A153H-N 121.132 8.816 R154H-N 120.552 8.385 I155H-N 122.34 8.439 G156H-N 109.331 9.072 N157H-N 119.956 8.052 N157HD21-ND2 112.806 7.684 N157HD22-ND2 112.806 6.991 Q158H-N 120.851 8.314 L159H-N 121.882 8.9 G160H-N 106.272 8.044 L161H-N 121.195 7.906 A162H-N 122.378 7.873 L163H-N 118.602 8.001 Q164H-N 118.565 7.908 Q164HE21-NE2 111.459 7.512 Q164HE22-NE2 111.459 6.906 Q165H-N 117.762 7.935 T166H-N 113.083 7.881 E167H-N 121.896 8.323 Y168H-N 120.07 8.036 L169H-N 120.964 7.956 Q170H-N 118.99 8.08 Q171H-N 120.356 8.166 V172H-N 120.262 8.087 Q173H-N 122.948 8.375 G174H-N 109.71 8.376 Q175H-N 119.803 8.218 S176H-N 116.921 8.358 A177H-N 125.764 8.301 K178H-N 122.17 8.306 G180H-N 115.579 8.013