Assignment w1 w2 S22H-N 117.277 8.429 S23H-N 118.291 8.537 R24H-N 122.582 8.425 G25H-N 109.934 8.494 G26H-N 108.525 8.287 R27H-N 119.735 8.019 Q28H-N 123.585 8.854 Q28HE21-NE2 112.8 7.689 Q28HE22-NE2 112.8 7.689 I29H-N 127.288 8.874 V30H-N 122.142 8.855 A31H-N 120.795 7.819 S32H-N 115.094 8.93 N33H-N 123.275 8.427 N33HD21-ND2 109.9 7.424 N33HD22-ND2 109.9 7.804 R34H-N 124.57 8.678 K35H-N 117.996 8.42 A36H-N 121.145 7.299 R37H-N 112.72 7.815 H38H-N 115.439 7.644 N39H-N 114.989 7.697 Y40H-N 117.505 7.952 S41H-N 116.183 9.184 I42H-N 127.298 8.966 I43H-N 129.296 8.997 E44H-N 117.217 7.587 V45H-N 119.984 8.388 F46H-N 123.211 9.126 E47H-N 121.357 8.641 A48H-N 126.948 8.942 G49H-N 106.264 8.487 V50H-N 117.35 7.883 A51H-N 131.621 8.452 L52H-N 124.191 7.813 Q53H-N 119.849 9.382 G54H-N 111.045 9.088 T55H-N 111.389 8.294 E56H-N 120.981 7.177 V57H-N 118.709 7.687 K58H-N 117.184 7.518 S59H-N 114.452 7.761 L60H-N 120.799 8.261 R61H-N 112.429 7.129 E62H-N 116.423 7.703 G63H-N 107.11 7.942 Q64H-N 117.491 8.23 A65H-N 121.624 8.156 S66H-N 111.017 9.06 D69H-N 111.611 7.219 S70H-N 112.532 6.843 F71H-N 116.241 8.666 A72H-N 122.134 8.507 T73H-N 110.706 8.742 I74H-N 119.471 8.468 D75H-N 126.86 9.273 D76H-N 126.512 9.51 G77H-N 102.838 8.486 E78H-N 118.272 7.666 V79H-N 122.404 9.047 W80H-N 125.658 9.041 W80HE1-NE1 129.6 10.25 L81H-N 122.871 9.852 N83H-N 111.611 7.219 N83HD21-ND2 111.4 6.75 N83HD22-ND2 111.4 7.473 A84H-N 119.14 8.12 H85H-N 121.525 8.427 I86H-N 125.575 7.966 E88H-N 124.461 8.768 Y89H-N 125.965 8.143 R90H-N 121.515 8.301 H91H-N 112.589 7.045 G92H-N 110.124 8.196 S93H-N 116.214 7.914 W94H-N 122.419 8.034 W94HE1-NE1 129.8 10.26 T95H-N 115.837 8.292 N96H-N 123.477 8.628 N96HD21-ND2 111.3 7.516 N96HD22-ND2 111.3 6.875 H97H-N 118.639 9.703 R101H-N 120.446 7.258 N102H-N 121.668 8.846 N102HD21-ND2 113.1 7.679 N102HD22-ND2 113.1 7.231 R103H-N 121.358 8.513 K104H-N 128.641 9.067 L105H-N 123.274 8.344 L106H-N 121.069 8.134 L107H-N 125.224 7.77 H108H-N 120.249 8.654 R109H-N 127.53 9.025 R110H-N 118.397 10.008 Q111H-N 117.697 7.344 I112H-N 120.839 7.842 D113H-N 118.675 8.45 T114H-N 116.858 7.669 L115H-N 123.607 8.074 V116H-N 118.964 8.744 G117H-N 104.837 7.572 K118H-N 120.825 7.802 I119H-N 118.28 8.595 R120H-N 119.497 7.885 E121H-N 117.322 7.902 G122H-N 104.706 7.834 N123H-N 116.707 8.133 N123HD21-ND2 114.1 6.719 N123HD22-ND2 114.1 7.263 F124H-N 116.488 7.43 A125H-N 123.046 9.233 L126H-N 121.329 8.676 V127H-N 122.924 8.988 L129H-N 122.778 9.454 S130H-N 110.573 7.525 L131H-N 120.592 8.54 Y132H-N 120.502 8.831 F133H-N 117.145 8.817 A134H-N 124.74 9.226 E135H-N 122.828 9.472 G136H-N 104.12 8.751 K137H-N 121.089 7.951 V138H-N 121.147 8.434 K139H-N 126.222 8.828 V140H-N 116.594 8.783 E141H-N 126.437 8.204 L142H-N 129.736 9.189 A143H-N 123.557 8.834 L144H-N 122.548 8.758 A145H-N 130.66 9.373 R146H-N 118.975 8.853 G147H-N 113.514 9.219 K148H-N 122.678 7.99 Q149H-N 121.175 8.418 A150H-N 126.677 8.324 R151H-N 125.704 7.931