Assignment w1 w2 M4H-N 123.257 8.275 Q6H-N 121.221 8.505 D8H-N 120.03 8.3 A9H-N 124.383 8.121 A10H-N 122.085 8.213 T11H-N 112.663 7.864 A12H-N 125.886 8.057 L13H-N 120.858 7.97 A14H-N 124.661 8.048 I15H-N 119.929 7.971 T16H-N 117.992 8.082 A17H-N 126.45 8.263 D18H-N 119.631 8.237 S19H-N 115.641 8.12 E20H-N 122.288 8.327 T21H-N 115.376 8.033 L22H-N 126.176 8.191 E24H-N 120.85 8.636 S25H-N 114.375 8.128 E26H-N 121.452 8.271 K27H-N 119.663 7.807 Y28H-N 118.571 7.732 N29H-N 123.766 8.892 N29HD21-ND2 114.11 8.159 N29HD22-ND2 114.11 7.145 G31H-N 105.33 8.683 Q33H-N 115.653 7.315 Q33HE21-NE2 108.434 6.818 Q33HE22-NE2 108.434 6.535 D34H-N 118.492 8.723 F35H-N 118.872 7.483 L36H-N 118.678 8.352 L37H-N 113.593 7.942 K38H-N 116.451 7.173 M39H-N 121.886 7.853 G41H-N 106.992 7.813 V42H-N 119.771 7.369 N43H-N 123.721 9.216 N43HD21-ND2 114.84 7.604 N43HD22-ND2 114.84 6.45 N46H-N 117.086 8.105 N46HD21-ND2 108.699 7.663 N46HD22-ND2 108.699 7.395 C47H-N 118.79 8.021 R48H-N 121.907 7.983 S49H-N 114.923 7.785 L50H-N 121.037 7.25 M51H-N 114.079 7.707 H52H-N 112.01 7.596 H53H-N 116.352 7.733 V54H-N 118.097 7.937 K55H-N 122.8 8.895 N56H-N 112.74 7.287 N56HD21-ND2 109.779 6.863 N56HD22-ND2 109.779 7.601 I57H-N 120.864 9.041 A58H-N 119.901 6.953 E59H-N 118.361 8.194 L60H-N 119.596 7.866 A61H-N 116.818 7.591 A62H-N 118.213 7.406 L63H-N 118.59 7.002 S64H-N 119.207 9.427 Q65H-N 121.867 8.715 Q65HE21-NE2 109.826 7.121 Q65HE22-NE2 109.826 6.545 D66H-N 120.118 8.414 E67H-N 122.538 7.961 L68H-N 118.827 8.33 T69H-N 119.319 8.379 S70H-N 117.04 7.564 I71H-N 119.282 7.587 L72H-N 115.591 8.492 G73H-N 107.922 8.12 N74H-N 114.462 6.591 N74HD21-ND2 113.632 7.774 N74HD22-ND2 113.632 6.878 A76H-N 123.291 8.331 N77H-N 118.142 8.361 N77HD21-ND2 109.734 7.419 N77HD22-ND2 109.734 6.904 A78H-N 119.66 7.54 K79H-N 118.665 8.009 Q80H-N 116.265 7.661 Q80HE21-NE2 110.122 7.164 Q80HE22-NE2 110.122 6.688 L81H-N 121.886 7.835 Y82H-N 119.747 8.872 D83H-N 118.973 9.255 F84H-N 122.477 8.034 I85H-N 114.654 7.657 H86H-N 110.686 7.56 T87H-N 118.94 7.523 S88H-N 120.093 8.525 F89H-N 126.435 9.028 A90H-N 120.956 8.303 E91H-N 117.311 7.817 V92H-N 118.827 7.611 V93H-N 119.143 7.816 S94H-N 116.942 7.959 K95H-N 122.273 8.026 G96H-N 108.698 8.202 K97H-N 120.475 8.011 G98H-N 109.636 8.354 K99H-N 121.242 8.016 K100H-N 128.152 7.912 H3H-N 122.085 8.219 M4H-N 121.368 7.717 A6H-N 123.289 8.366 D7H-N 118.033 8.168 L8H-N 121.66 7.863 L9H-N 121.342 7.97 M10H-N 119.516 8.04 E11H-N 120.715 8.203 K12H-N 120.996 8.059 L13H-N 121.215 8.088 E14H-N 120.475 8.235 Q15H-N 119.459 8.202 Q15HE21-NE2 111.949 7.5 Q15HE22-NE2 111.949 6.811 D16H-N 121.221 8.498 F17H-N 121.688 8.222 V18H-N 118.142 8.344 S19H-N 118.168 8.41 R20H-N 121.992 8.14 V21H-N 120.939 8.555 T22H-N 117.344 8.164 E23H-N 122.702 8.176 C24H-N 114.638 7.323 L25H-N 120.266 8.274 T26H-N 102.819 7.974 T27H-N 112.319 7.389 V28H-N 124.356 7.516 K29H-N 128.101 8.289 S30H-N 118.895 8.605 V31H-N 126.302 8.215 T34H-N 119.053 8.004 D35H-N 124.06 8.553 S36H-N 113.49 8.067 Q37H-N 120.149 7.609 T38H-N 118.527 8.426 L39H-N 125.296 8.737 L40H-N 119.595 8.117 T41H-N 111.521 8.069 T42H-N 117.094 7.797 F43H-N 116.998 8.13 G44H-N 108.82 8.246 S45H-N 111.413 7.617 L46H-N 124.047 10.44 E47H-N 118.132 7.83 Q48H-N 117.415 7.756 Q48HE21-NE2 113.698 7.731 Q48HE22-NE2 113.698 6.946 L49H-N 122.536 7.74 I50H-N 117.625 8.247 A51H-N 118.129 7.021 A52H-N 122.132 7.024 S53H-N 117.79 8.99 R54H-N 120.956 8.312 E55H-N 117.625 8.259 D56H-N 119.944 7.84 L57H-N 119.282 7.957 A58H-N 117.826 7.695 L59H-N 117.06 7.305 C60H-N 122.462 7.592 G62H-N 110.925 8.551 L63H-N 123.768 7.675 G64H-N 106.263 8.073 K67H-N 120.322 8.462 A68H-N 117.602 7.644 R69H-N 116.758 7.564 R70H-N 117.109 7.556 L71H-N 119.163 8.206 F72H-N 118.814 8.543 D73H-N 119.357 8.635 V74H-N 121.073 7.758 L75H-N 114.032 7.069 H76H-N 110.27 7.234 E77H-N 126.314 8.672 F79H-N 117.482 7.819 L80H-N 116.784 8.09 K81H-N 122.245 8.068 V82H-N 122.89 7.995