Assignment w1 w2 T3H-N 116.436 8.407 S4H-N 118.038 8.431 K6H-N 122.271 8.373 K7H-N 120.952 8.527 V8H-N 120.461 8.051 R9H-N 126.296 8.524 F10H-N 130.314 9.605 D11H-N 124.462 8.806 E12H-N 123.494 8.758 G13H-N 111.782 9.037 S14H-N 113.801 7.849 Y15H-N 119.916 8.19 T16H-N 103.466 7.741 N17H-N 121.582 8.294 N17HD21-ND2 113.65 6.706 N17HD22-ND2 113.65 7.813 F18H-N 117.713 8.288 I19H-N 119.494 8.575 Y20H-N 127.473 9.046 D21H-N 130.55 8.898 N22H-N 107.877 8.488 N22HD21-ND2 113.649 7.519 N22HD22-ND2 113.649 6.824 K23H-N 120.195 7.814 S24H-N 116.907 8.277 Y25H-N 128.597 9.129 F26H-N 116.972 9.469 V27H-N 120.466 9.072 T28H-N 118.958 8.334 D29H-N 113.028 7.69 K30H-N 120.107 8.418 E31H-N 129.347 8.5 I32H-N 129.062 8.633 Q34H-N 122.041 8.755 Q34HE21-NE2 112.335 6.865 Q34HE22-NE2 112.335 7.535 E35H-N 117.074 9.321 N36H-N 117.562 8.035 N36HD21-ND2 108.628 7.167 N36HD22-ND2 108.628 6.845 V37H-N 121.629 7.301 N38H-N 127.179 8.673 N38HD21-ND2 110.667 7.405 N38HD22-ND2 110.667 6.82 N39H-N 115.158 7.951 N39HD21-ND2 113.793 7.521 N39HD22-ND2 113.793 7.136 S40H-N 115.541 8.854 K41H-N 125.426 9.442 V42H-N 116.813 7.697 K43H-N 127.754 8.658 F44H-N 122.607 8.643 Y45H-N 125.028 8.423 K46H-N 130.536 8.616 L47H-N 127.739 8.255 L48H-N 126.77 9.087 I49H-N 123.299 8.652 V50H-N 125.827 8.855 D51H-N 126.875 8.734 M52H-N 125.458 8.674 K53H-N 117.199 8.706 S54H-N 113.331 8.386 E55H-N 117.068 8.185 K56H-N 116.992 7.483 L57H-N 120.205 8.412 L58H-N 122.692 8.84 S59H-N 112.433 8.667 S60H-N 114.204 7.428 S61H-N 117.104 8.548 N62H-N 119.422 8.496 N62HD21-ND2 112.666 7.57 N62HD22-ND2 112.666 7.093 K63H-N 117.042 8.296 N64H-N 116.406 8.5 N64HD21-ND2 113.926 6.952 N64HD22-ND2 113.926 7.896 S65H-N 114.734 7.744 V66H-N 119.08 8.939 T67H-N 122.115 8.351 L68H-N 129.225 9.463 V69H-N 123.636 8.719 L70H-N 131.997 8.938 N71H-N 121.451 9.058 N71HD21-ND2 112.275 6.72 N71HD22-ND2 112.275 7.403 N72H-N 115.659 6.921 N72HD21-ND2 110.306 6.789 N72HD22-ND2 110.306 6.904 I73H-N 116.003 8.116 Y74H-N 126.454 9.843 E75H-N 119.823 8.589 A76H-N 127.429 9.156 S77H-N 117.103 9.019 D78H-N 119.556 7.889 K79H-N 111.675 8.291 S80H-N 115.843 8.039 L81H-N 118.812 9.04 C82H-N 114.737 9.377 M83H-N 123.566 9.615 G84H-N 114.559 8.596 I85H-N 125.93 8.457 N86H-N 126.026 9.278 N86HD21-ND2 108.896 7.166 N86HD22-ND2 108.896 6.964 R88H-N 120.783 8.194 Y89H-N 119.284 8.318 Y90H-N 119.855 8.905 K91H-N 124.213 8.978 I92H-N 122.12 8.41 L93H-N 122.103 8.298 E95H-N 121.544 8.04 S96H-N 113.205 8.038 D97H-N 121.938 8.145 K98H-N 120.892 7.597 G99H-N 109.727 8.532 A100H-N 124.238 8.058 V101H-N 118.527 7.746 K102H-N 125.684 8.513 A103H-N 123.059 8.223 L104H-N 121.548 7.95 R105H-N 125.731 8.133 L106H-N 124.054 8.776 Q107H-N 114.492 8.24 Q107HE21-NE2 112.432 7.634 Q107HE22-NE2 112.432 7.106 N108H-N 116.192 7.281 N108HD21-ND2 116.776 8.347 N108HD22-ND2 116.776 6.787 F109H-N 124.168 7.437