Assignment w1 w2 D3H-N 121.629 8.489 V4H-N 123.155 8.191 K5H-N 121.75 8.041 Q6H-N 117.883 8.267 Q6HE21-NE2 111.453 7.606 Q6HE22-NE2 111.453 6.844 S7H-N 116.139 8.065 V8H-N 121.921 8.384 E9H-N 118.714 8.26 K10H-N 116.241 7.734 I11H-N 117.251 7.541 I12H-N 119.472 7.88 K13H-N 119.925 8.255 D14H-N 116.909 7.878 R15H-N 116.599 8.165 E16H-N 118.133 8.194 W17H-N 118.824 8.257 W17HE1-NE1 129.009 9.669 V18H-N 116.272 9.183 T19H-N 114.027 8.921 F20H-N 121.789 9.847 N21H-N 113.786 8.423 N21HD21-ND2 112.105 7.05 N21HD22-ND2 112.105 7.749 D22H-N 119.417 7.785 L23H-N 118.81 7.68 L24H-N 113.681 7.315 K25H-N 116.131 7.274 Y26H-N 114.893 7.46 I27H-N 119.927 7.811 Y29H-N 120.83 7.728 A31H-N 124.601 9.002 E33H-N 116.406 7.421 V34H-N 121.837 7.872 Y35H-N 119.711 9.085 D36H-N 120.306 8.178 A37H-N 122.277 7.695 L38H-N 118.513 8.348 S39H-N 113.393 8.335 Q40H-N 122.109 7.891 Q40HE21-NE2 112.348 7.637 Q40HE22-NE2 112.348 6.849 L41H-N 119.538 8.0 I42H-N 121.564 8.243 K43H-N 124.685 7.991 E44H-N 116.104 7.931 N45H-N 114.962 8.215 N45HD21-ND2 111.59 6.765 N45HD22-ND2 111.59 7.433 K46H-N 113.053 8.031 V47H-N 117.316 6.785 G48H-N 112.866 8.431 R49H-N 117.771 8.394 R50H-N 127.837 9.075 R52H-N 126.689 8.728 Y53H-N 117.719 7.943 F54H-N 120.175 9.423 Y55H-N 117.035 8.488 Y56H-N 123.32 8.804 I57H-N 128.643 7.416 K58H-N 127.539 8.111 R59H-N 129.075 8.085