Assignment w1 w2 A1H-N 123.666 8.59 Y2H-N 120.676 8.387 R3H-N 125.81 8.196 R3HE-NE 85.184 7.253 S5H-N 115.503 8.324 E6H-N 122.328 8.568 T7H-N 114.251 8.044 L8H-N 125.054 8.738 C9H-N 119.497 8.486 G10H-N 109.406 9.171 G11H-N 113.687 9.07 E12H-N 121.494 8.746 L13H-N 124.085 7.203 V14H-N 119.053 7.584 D15H-N 118.23 8.745 T16H-N 116.84 7.971 L17H-N 124.755 8.34 Q18H-N 116.756 8.342 Q18HE21-NE2 111.216 7.433 Q18HE22-NE2 111.216 7.083 F19H-N 119.888 7.782 V20H-N 117.834 8.668 C21H-N 114.666 8.579 G22H-N 110.358 7.943 D23H-N 126.45 9.415 R24H-N 118.374 8.329 R24HE-NE 83.944 7.045 G25H-N 102.315 7.302 F26H-N 112.603 7.628 Y27H-N 118.698 8.793 F28H-N 116.058 8.886 N29H-N 116.436 8.269 N29HD21-ND2 113.217 7.752 N29HD22-ND2 113.217 7.084 R30H-N 121.334 8.745 R30HE-NE 84.388 6.944 A32H-N 124.176 8.481 S33H-N 113.823 8.234 R34H-N 122.147 8.482 V35H-N 118.272 7.951 S36H-N 118.101 8.205 R37H-N 122.442 8.446 R38H-N 119.473 8.303 S39H-N 116.882 7.994 Q41H-N 121.41 8.586 Q41HE21-NE2 112.242 7.444 Q41HE22-NE2 112.242 6.9 R42H-N 122.535 8.722 R42HE-NE 84.897 7.528 G43H-N 111.316 8.687 I44H-N 120.67 7.978 V45H-N 123.92 8.312 E46H-N 121.231 8.115 E47H-N 113.433 7.613 C48H-N 109.811 8.22 C49H-N 117.367 8.258 F50H-N 116.799 7.881 R51H-N 118.002 7.533 R51HE-NE 85.731 7.401 S52H-N 110.81 7.774 C53H-N 120.471 9.683 D54H-N 115.694 7.515 L55H-N 117.085 7.337 A56H-N 120.427 8.483 L57H-N 120.552 8.013 L58H-N 123.936 8.335 E59H-N 115.624 8.047 T60H-N 110.584 8.046 Y61H-N 120.927 8.291 C62H-N 116.519 7.606 A63H-N 125.662 8.214 T64H-N 112.409 7.778 A66H-N 124.356 8.5 K67H-N 120.656 8.357 S68H-N 118.039 8.441 E69H-N 127.097 8.07