Assignment w1 w2 N3H-N 120.235 8.774 N3HD21-ND2 112.21 7.413 N3HD22-ND2 112.21 6.905 V4H-N 122.554 8.315 T5H-N 118.503 9.394 N6H-N 120.872 7.976 N6HD21-ND2 108.883 7.218 N6HD22-ND2 108.883 6.503 K7H-N 121.728 8.572 T8H-N 110.858 8.691 D9H-N 121.014 7.907 R11H-N 116.361 7.94 S12H-N 119.379 8.143 M13H-N 120.327 8.238 N14H-N 115.378 7.968 N14HD21-ND2 111.301 7.441 N14HD22-ND2 111.301 6.789 S15H-N 106.215 7.253 R16H-N 123.348 7.405 R16HE-NE 81.712 6.82 V17H-N 122.328 9.26 F18H-N 126.01 9.159 I19H-N 126.422 7.716 G20H-N 113.182 8.55 N21H-N 116.072 7.291 N21HD21-ND2 111.001 8.448 N21HD22-ND2 111.001 6.637 L22H-N 118.873 7.279 N23H-N 124.26 9.075 N23HD21-ND2 110.101 8.076 N23HD22-ND2 110.101 7.153 T24H-N 118.101 8.226 L25H-N 121.285 7.67 V26H-N 114.562 6.79 V27H-N 121.996 8.276 K28H-N 124.228 8.925 K29H-N 123.35 8.993 S30H-N 111.465 8.669 D31H-N 122.187 7.141 V32H-N 120.138 7.956 E33H-N 118.717 8.637 A34H-N 121.541 7.823 I35H-N 117.449 7.773 F36H-N 113.524 8.566 S37H-N 122.025 8.834 K38H-N 119.387 7.054 Y39H-N 114.433 6.956 G40H-N 106.514 7.428 K41H-N 117.788 8.034 I42H-N 127.104 8.711 V43H-N 121.993 8.711 G44H-N 109.507 7.53 C45H-N 124.546 8.982 S46H-N 122.933 8.569 V47H-N 121.588 8.565 H48H-N 130.308 8.441 K49H-N 121.937 7.926 G50H-N 114.868 8.644 F51H-N 112.79 7.005 A52H-N 119.858 8.724 F53H-N 112.158 8.764 V54H-N 118.628 8.31 Q55H-N 128.402 9.253 Q55HE21-NE2 123.215 7.642 Q55HE22-NE2 123.215 8.403 Y56H-N 127.617 8.919 V57H-N 116.705 9.458 N58H-N 112.563 7.23 N58HD21-ND2 114.798 7.776 N58HD22-ND2 114.798 6.918 E59H-N 124.32 8.807 R60H-N 118.347 8.62 N61H-N 118.085 7.781 N61HD21-ND2 110.148 8.002 N61HD22-ND2 110.148 7.187 A62H-N 119.58 6.775 R63H-N 114.991 8.737 R63HE-NE 85.371 8.397 A64H-N 123.698 7.82 A65H-N 123.811 7.538 V66H-N 116.571 7.612 A67H-N 118.239 7.549 G68H-N 103.748 8.135 E69H-N 114.571 7.653 D70H-N 118.127 8.026 G71H-N 114.353 8.292 R72H-N 121.996 7.981 R72HE-NE 85.114 7.321 M73H-N 125.12 8.71 I74H-N 127.53 8.583 A75H-N 132.166 9.54 G76H-N 101.685 8.446 Q77H-N 118.947 7.708 Q77HE21-NE2 109.941 7.025 Q77HE22-NE2 109.941 6.482 V78H-N 123.383 8.57 L79H-N 128.544 9.002 D80H-N 124.135 7.718 I81H-N 123.344 9.071 N82H-N 116.447 8.494 N82HD21-ND2 114.623 7.123 N82HD22-ND2 114.623 6.971 L83H-N 123.786 9.414 A84H-N 127.577 9.279 A85H-N 116.071 8.687 E86H-N 118.959 7.901 K88H-N 121.298 7.973 V89H-N 120.788 8.216 N90H-N 119.438 8.451 N90HD21-ND2 113.0 7.635 N90HD22-ND2 113.0 6.937 R91H-N 120.958 7.978 R91HE-NE 85.191 7.28 G92H-N 110.275 8.604 K93H-N 120.75 8.113 A94H-N 124.912 8.367 G95H-N 108.328 8.39 V96H-N 119.774 7.925 K97H-N 126.024 8.473 R98H-N 123.644 8.464 R98HE-NE 84.676 7.239 S99H-N 117.863 8.516 A100H-N 126.048 8.538 A101H-N 121.566 8.212 E102H-N 118.735 8.071 M103H-N 120.106 8.073 Y104H-N 120.285 8.126 G105H-N 116.277 7.886