Assignment w1 w2 A2H-N 123.803 8.185 A3H-N 123.646 8.189 L4H-N 120.384 7.876 S5H-N 115.461 8.449 E6H-N 120.983 9.257 E7H-N 118.599 8.66 E8H-N 120.467 7.841 L9H-N 121.716 8.729 E10H-N 123.653 8.636 K11H-N 118.461 7.485 K12H-N 118.975 8.512 S13H-N 115.933 8.656 K14H-N 120.175 7.582 A15H-N 120.446 7.174 I16H-N 119.655 8.338 I17H-N 120.634 8.557 E18H-N 118.704 8.419 E19H-N 119.21 7.887 Y20H-N 121.946 8.586 L21H-N 119.473 8.794 H22H-N 116.975 7.536 L23H-N 116.979 8.411 N24H-N 116.188 8.595 N24HD21-ND2 109.139 6.095 N24HD22-ND2 109.139 7.027 D25H-N 116.014 7.439 M26H-N 127.704 8.698 K27H-N 118.46 8.097 E28H-N 119.971 7.892 A29H-N 121.576 7.628 V30H-N 116.47 8.283 Q31H-N 118.971 7.755 Q31HE21-NE2 112.412 6.69 Q31HE22-NE2 112.412 7.672 C32H-N 116.706 8.323 V33H-N 120.197 7.92 Q34H-N 121.983 8.156 Q34HE21-NE2 110.461 7.167 Q34HE22-NE2 110.461 6.747 E35H-N 117.972 7.912 L36H-N 118.223 7.418 A37H-N 121.235 7.762 S38H-N 112.435 8.792 S40H-N 110.87 8.269 L41H-N 119.213 7.745 L42H-N 117.972 7.131 F43H-N 121.458 9.428 I44H-N 122.748 6.964 F45H-N 120.982 6.744 V46H-N 117.69 8.122 R47H-N 118.717 8.419 R47HE-NE 85.02 7.457 H48H-N 116.93 8.262 G49H-N 111.217 8.785 V50H-N 121.708 8.273 E51H-N 118.725 8.686 S52H-N 110.698 8.473 T53H-N 106.86 7.276 L54H-N 124.975 7.895 E55H-N 110.689 8.036 R56H-N 120.711 7.226 S57H-N 110.452 7.059 A58H-N 124.705 8.759 I59H-N 118.626 7.863 A60H-N 123.703 7.673 R61H-N 116.717 7.705 E62H-N 120.721 8.199 H63H-N 116.721 8.841 M64H-N 125.959 9.294 G65H-N 109.459 9.243 Q66H-N 120.18 8.856 Q66HE21-NE2 110.23 7.694 Q66HE22-NE2 110.23 6.752 L67H-N 122.455 7.95 L68H-N 117.527 8.3 H69H-N 117.73 8.22 Q70H-N 120.194 8.404 Q70HE21-NE2 113.949 7.132 Q70HE22-NE2 113.949 7.779 L71H-N 118.459 8.538 L72H-N 122.946 7.978 C73H-N 120.321 8.665 A74H-N 118.231 7.805 G75H-N 103.918 7.316 H76H-N 117.467 7.183 L77H-N 118.709 7.015 S78H-N 120.986 8.075 T79H-N 114.441 8.957 A80H-N 120.447 7.979 Q81H-N 117.449 7.582 Q81HE21-NE2 111.926 7.344 Q81HE22-NE2 111.926 6.502 Y82H-N 120.962 7.81 Y83H-N 116.098 8.597 Q84H-N 116.708 8.029 Q84HE21-NE2 108.726 6.474 Q84HE22-NE2 108.726 5.88 G85H-N 105.202 8.076 L86H-N 119.448 7.716 Y87H-N 120.048 9.201 E88H-N 115.211 7.497 I89H-N 116.451 7.302 L90H-N 119.22 8.645 E91H-N 115.46 8.03 L92H-N 118.712 7.566 A93H-N 122.218 7.56 E94H-N 115.942 8.764 D95H-N 118.208 7.686 M96H-N 118.452 8.086 E97H-N 116.939 7.762 I98H-N 116.704 7.082 D99H-N 117.689 7.308 I100H-N 119.708 8.412 H102H-N 113.214 7.797 V103H-N 118.448 7.565 W104H-N 120.47 7.066 W104HE1-NE1 130.681 10.922 L105H-N 120.693 7.228 Y106H-N 118.957 7.981 L107H-N 118.202 8.662 A108H-N 122.057 8.295 E109H-N 122.215 8.942 L110H-N 116.433 7.258 V111H-N 117.725 8.299 T112H-N 115.698 8.386 I114H-N 116.98 8.398 L115H-N 118.59 7.604 Q116H-N 118.201 7.053 Q116HE21-NE2 111.568 7.296 Q116HE22-NE2 111.568 7.247 E117H-N 121.717 8.519 G118H-N 116.46 8.966 G119H-N 107.416 8.358 V120H-N 124.454 7.752 M122H-N 121.7 8.802 G123H-N 103.663 8.771 E124H-N 119.129 6.848 L125H-N 117.453 8.409 F126H-N 115.429 8.894 R127H-N 118.203 7.792 R127HE-NE 89.701 9.402 E128H-N 117.21 8.442 I129H-N 117.387 9.215 T130H-N 100.12 6.746 K131H-N 125.434 7.359 L133H-N 112.285 6.947 R134H-N 122.197 8.088 L136H-N 112.835 6.629 G137H-N 106.685 8.043 K138H-N 115.206 7.218 A139H-N 121.942 7.951 A140H-N 116.528 8.743 S141H-N 111.981 7.14 L142H-N 116.204 6.289 L143H-N 115.671 7.455 L144H-N 116.185 9.005 E145H-N 115.923 6.913 I146H-N 121.261 7.736 L147H-N 118.492 8.913 G148H-N 104.983 8.011 L149H-N 122.783 7.692 L150H-N 121.465 8.803 C151H-N 118.526 9.019 K152H-N 118.727 7.485 S153H-N 110.767 7.332 M154H-N 117.693 8.585 G155H-N 109.652 7.778 K157H-N 118.235 7.901 K158H-N 121.24 8.46 V159H-N 119.17 7.702 G160H-N 105.945 8.826 T161H-N 118.317 7.882 L162H-N 122.733 8.111 W163H-N 121.786 8.369 W163HE1-NE1 130.971 9.365 R164H-N 117.982 8.509 E165H-N 122.429 9.083 A166H-N 119.208 7.441 G167H-N 107.925 7.948 L168H-N 118.894 6.578 S169H-N 110.011 7.336 W170H-N 126.952 9.784 W170HE1-NE1 128.457 9.897 K171H-N 118.582 8.332 E172H-N 113.98 7.277 F173H-N 113.209 7.215 L174H-N 119.45 7.299 E176H-N 122.746 8.566 G177H-N 112.46 8.79 Q178H-N 121.164 7.533 Q178HE21-NE2 112.226 7.667 Q178HE22-NE2 112.226 6.937 D179H-N 125.776 8.565 I180H-N 130.707 8.746 G181H-N 108.447 8.262 A182H-N 124.271 8.189 F183H-N 119.942 7.553 V184H-N 115.959 8.55 A185H-N 119.705 7.273 E186H-N 119.709 8.113 Q187H-N 112.471 7.706 Q187HE21-NE2 111.442 6.943 Q187HE22-NE2 111.442 6.541 K188H-N 115.262 7.336 V189H-N 108.192 7.622 E190H-N 125.477 9.817 Y191H-N 114.695 6.9 T192H-N 110.458 7.245 L193H-N 126.716 7.218