Assignment w1 w2 D8H-N 120.778 8.196 A9H-N 123.933 8.181 A10H-N 123.129 8.206 V11H-N 119.638 8.018 T12H-N 117.692 8.471 E14H-N 118.964 8.56 E15H-N 119.702 7.798 R16H-N 120.763 8.377 H17H-N 120.143 8.216 L18H-N 118.709 8.431 S19H-N 112.28 8.111 K20H-N 121.958 7.72 M21H-N 118.398 8.136 Q22H-N 116.09 8.136 Q22HE21-NE2 114.4 8.244 Q22HE22-NE2 114.4 6.18 Q23H-N 117.158 8.201 Q23HE21-NE2 111.691 7.429 Q23HE22-NE2 111.691 6.828 N24H-N 113.545 8.28 N24HD21-ND2 112.751 7.044 N24HD22-ND2 112.751 7.625 G25H-N 109.991 7.852 Y26H-N 120.794 8.041 E27H-N 128.36 8.283 N28H-N 122.254 7.08 N28HD21-ND2 115.353 6.223 N28HD22-ND2 115.353 9.327 T30H-N 114.238 8.009 Y31H-N 122.377 6.797 K32H-N 121.548 7.737 F34H-N 119.745 7.785 E35H-N 121.501 8.175 Q36H-N 118.777 7.934 Q36HE21-NE2 112.165 6.84 Q36HE22-NE2 112.165 7.519 M37H-N 119.906 8.034 Q38H-N 120.038 8.212 Q38HE21-NE2 112.541 7.438 Q38HE22-NE2 112.541 6.835 N39H-N 118.75 8.335 N39HD21-ND2 112.471 7.016 N39HD22-ND2 112.471 7.717 S40H-N 115.804 8.257 G53H-N 110.619 8.21 T55H-N 117.654 8.338 K57H-N 122.279 8.493 T58H-N 115.664 8.252 E59H-N 123.26 8.554 L60H-N 123.176 8.054 V61H-N 123.934 8.219 Q62H-N 125.459 8.297 Q62HE21-NE2 111.6 6.938 Q62HE22-NE2 111.6 7.498 K63H-N 122.691 7.792 F64H-N 122.186 8.922 R65H-N 126.639 8.874 R65HE-NE 85.514 7.825 V66H-N 120.423 8.885 Q67H-N 116.418 9.095 Q67HE21-NE2 112.893 8.057 Q67HE22-NE2 112.893 6.639 Y68H-N 123.665 8.855 L69H-N 129.862 8.354 G70H-N 103.299 5.498 M71H-N 116.971 7.566 L72H-N 125.847 8.565 V74H-N 112.871 8.023 D75H-N 116.938 8.488 R76H-N 116.765 7.074 V78H-N 106.784 6.276 G79H-N 105.709 3.398 M80H-N 125.176 8.946 D81H-N 120.202 8.952 T82H-N 119.894 7.489 L83H-N 122.205 7.942 N84H-N 114.788 9.103 N84HD21-ND2 112.389 7.251 N84HD22-ND2 112.389 7.688 S85H-N 114.878 7.742 A86H-N 124.168 7.205 I87H-N 116.772 8.209 E88H-N 116.179 8.47 N89H-N 118.662 7.833 N89HD21-ND2 111.691 6.773 N89HD22-ND2 111.691 7.281 L90H-N 119.764 7.94 M91H-N 118.402 8.594 T92H-N 108.39 7.766 S93H-N 115.33 7.746 S94H-N 114.449 7.733 S95H-N 115.049 8.587 K96H-N 123.31 7.629 E97H-N 115.347 7.929 D98H-N 117.38 7.755 W99H-N 123.782 7.017 W99HE1-NE1 129.584 9.869 S101H-N 117.474 8.736 V102H-N 118.721 9.425 N103H-N 117.654 9.094 N103HD21-ND2 112.872 7.364 N103HD22-ND2 112.872 6.997 M104H-N 124.813 9.598 N105H-N 127.069 9.446 N105HD21-ND2 109.493 6.872 N105HD22-ND2 109.493 6.606 V106H-N 124.974 9.143 A107H-N 128.63 8.464 D108H-N 120.623 9.218 A109H-N 118.697 9.145 T110H-N 114.859 7.852 V111H-N 126.852 8.83 T112H-N 122.594 9.017 V113H-N 126.744 9.132 I114H-N 128.075 9.108 S115H-N 120.24 8.454 E116H-N 124.509 8.343 K117H-N 117.189 8.11 N118H-N 116.258 7.476 N118HD21-ND2 113.248 6.927 N118HD22-ND2 113.248 7.613 E119H-N 121.353 8.668 E120H-N 115.57 8.041 E121H-N 122.538 7.969 V122H-N 127.12 8.305 L123H-N 129.787 9.056 V124H-N 115.073 7.357 E125H-N 127.918 8.71 C126H-N 126.943 9.315 R127H-N 130.534 9.233 V128H-N 122.563 8.608 R129H-N 118.277 8.067 F130H-N 115.582 8.203 L131H-N 125.638 7.813 S132H-N 120.706 8.957 F133H-N 124.503 7.693 M134H-N 121.84 7.612 G135H-N 103.089 8.131 V136H-N 119.165 6.869 G137H-N 110.909 7.517 K138H-N 117.76 8.096 D139H-N 116.588 8.42 V140H-N 121.364 8.428 H141H-N 117.204 9.006 T142H-N 109.496 8.477 F143H-N 121.4 8.733 A144H-N 127.541 7.998 F145H-N 111.382 8.033 I146H-N 121.172 9.287 M147H-N 123.786 9.511 D148H-N 124.506 9.437 T149H-N 116.295 8.499 G150H-N 113.058 8.955 N151H-N 118.181 8.771 N151HD21-ND2 112.977 6.855 N151HD22-ND2 112.977 7.486 Q152H-N 112.274 9.027 Q152HE21-NE2 112.963 7.717 Q152HE22-NE2 112.963 6.808 R153H-N 118.1 6.833 F154H-N 123.41 8.284 E155H-N 121.13 9.256 C156H-N 124.128 8.928 H157H-N 128.812 8.417 V158H-N 119.766 7.565 F159H-N 124.075 9.494 W160H-N 122.425 9.298 W160HE1-NE1 131.726 10.657 C161H-N 129.675 9.319 E162H-N 120.027 8.824 N164H-N 110.808 7.399 N164HD21-ND2 117.655 7.806 N164HD22-ND2 117.655 7.331 A165H-N 116.029 8.575 A166H-N 125.4 9.089 N167H-N 116.543 8.473 N167HD21-ND2 111.279 7.005 N167HD22-ND2 111.279 7.674 V168H-N 121.938 8.159 S169H-N 111.883 7.273 E170H-N 122.402 7.889 A171H-N 121.178 7.452 V172H-N 117.814 7.949 Q173H-N 119.551 8.008 Q173HE21-NE2 108.458 5.668 Q173HE22-NE2 108.458 6.417 A174H-N 119.299 7.938 A175H-N 119.89 7.318 C176H-N 121.001 7.099