Assignment w1 w2 K25H-N 120.843 7.97 Y26H-N 122.249 8.145 L27H-N 123.177 8.61 V28H-N 112.163 7.073 E29H-N 123.421 8.092 F30H-N 115.209 8.269 R31H-N 121.068 9.997 A32H-N 125.989 7.994 G33H-N 108.882 8.704 K34H-N 118.724 9.442 M35H-N 114.037 7.307 S36H-N 115.443 8.76 L37H-N 125.989 8.574 K38H-N 129.738 8.593 G39H-N 117.552 8.992 T40H-N 118.49 8.775 T41H-N 119.896 8.047 V42H-N 132.082 8.908 T43H-N 119.761 8.483 D45H-N 123.89 8.727 K46H-N 124.583 8.888 R47H-N 118.256 8.375 R47HE-NE 83.062 8.1 K48H-N 122.708 8.712 G49H-N 113.1 9.366 L50H-N 125.754 8.092 V51H-N 126.223 8.451 Y52H-N 118.49 7.647 I53H-N 116.146 7.536 Q54H-N 127.64 9.021 Q54HE21-NE2 110.281 6.742 Q54HE22-NE2 110.281 7.222 Q55H-N 127.875 9.136 Q55HE21-NE2 109.97 7.082 Q55HE22-NE2 109.97 7.364 T56H-N 118.483 9.051 D57H-N 120.599 8.806 D58H-N 118.256 7.878 I61H-N 121.536 8.346 H62H-N 123.421 8.948 F63H-N 127.16 9.652 C64H-N 125.051 8.141 W65H-N 118.302 8.267 W65HE1-NE1 127.136 10.164 K66H-N 126.926 8.386 D67H-N 123.411 7.735 R68H-N 125.52 8.637 T69H-N 116.615 8.963 S70H-N 115.209 7.955 G71H-N 111.766 8.07 N72H-N 118.234 7.913 N72HD21-ND2 112.108 7.01 N72HD22-ND2 112.108 7.608 V73H-N 126.692 8.786 E74H-N 129.504 8.202 D75H-N 116.849 8.03 D76H-N 121.302 8.442 E85H-N 117.084 8.024 F86H-N 128.098 9.468 K87H-N 124.583 8.957 R88H-N 123.88 8.745 V89H-N 127.395 8.529 Q91H-N 116.368 8.246 Q91HE21-NE2 111.904 6.993 Q91HE22-NE2 111.904 7.768 C92H-N 117.552 6.678 G95H-N 108.648 7.548 Y98H-N 126.692 9.448 V99H-N 119.427 9.205 S106H-N 115.451 8.125 R108H-N 128.098 8.428 F110H-N 119.662 8.094 F111H-N 117.084 9.358 W112H-N 118.256 9.09 W112HE1-NE1 129.573 10.515 M113H-N 120.599 9.25 Q114H-N 117.318 8.447 E115H-N 119.896 6.702 K117H-N 114.272 8.04 T118H-N 111.46 8.68 D119H-N 119.662 8.251 Q120H-N 115.209 8.231 Q120HE21-NE2 112.514 6.774 Q120HE22-NE2 112.514 7.481 D121H-N 122.471 7.638 E122H-N 116.849 8.329 E123H-N 122.942 7.932 H124H-N 118.734 8.594 C125H-N 117.562 7.936 R126H-N 120.609 8.482 R126HE-NE 83.469 7.725 K127H-N 118.959 8.643 V128H-N 118.021 8.167 N129H-N 113.569 7.511 N129HD21-ND2 120.029 8.933 N129HD22-ND2 120.029 7.446 E130H-N 119.662 8.431 Y131H-N 115.912 8.262 L132H-N 111.225 7.81 N133H-N 110.757 7.426 N133HD21-ND2 114.951 7.161 N133HD22-ND2 114.951 7.673 N134H-N 119.896 8.374 N134HD21-ND2 112.717 6.82 N134HD22-ND2 112.717 7.608 E24H-N 121.99 8.441 E26H-N 120.409 8.36 E29H-N 118.201 7.935 F31H-N 116.599 7.869 E32H-N 119.256 8.451 Y33H-N 126.402 9.116 I34H-N 126.987 7.585 D35H-N 124.902 7.941 D36H-N 126.527 7.839 Q2H-N 123.22 8.9 Q2HE21-NE2 111.95 7.65 Q2HE22-NE2 111.95 6.79 I3H-N 115.34 8.327 F4H-N 118.11 8.605 K6H-N 127.52 8.82 G10H-N 108.89 7.81 L15H-N 124.8 8.703 E16H-N 122.16 8.14 V17H-N 117.21 8.9 E18H-N 118.99 8.64 S20H-N 103.4 7.04 D21H-N 123.48 8.069 T22H-N 108.8 7.9 I23H-N 121.19 8.571 E24H-N 120.83 9.76 N25H-N 120.57 7.92 N25HD21-ND2 109.7 7.82 N25HD22-ND2 109.7 6.89 V26H-N 121.71 8.14 K27H-N 118.86 8.578 A28H-N 123.44 8.06 K29H-N 119.94 7.85 I30H-N 121.08 8.291 Q31H-N 123.49 8.58 Q31HE21-NE2 109.85 7.63 Q31HE22-NE2 109.85 6.8 D32H-N 119.36 8.01 K33H-N 115.13 7.43 E34H-N 108.65 8.74 G35H-N 108.65 6.15 I36H-N 119.88 6.15 D39H-N 113.38 8.55 Q40H-N 116.78 7.82 Q40HE21-NE2 110.75 7.63 Q40HE22-NE2 110.75 6.74 Q41H-N 117.72 7.48 Q41HE21-NE2 104.17 6.22 Q41HE22-NE2 104.17 6.52 R54H-N 119.05 7.46 T55H-N 108.4 8.73 L56H-N 117.92 8.14 S57H-N 113.33 8.47 D58H-N 124.19 7.93 Y59H-N 115.51 7.25 N60H-N 115.9 8.15 N60HD21-ND2 111.15 7.53 N60HD22-ND2 111.15 6.81 I61H-N 118.6 7.25 Q62H-N 124.74 7.61 Q62HE21-NE2 112.15 7.28 Q62HE22-NE2 112.15 6.81 K63H-N 120.3 8.49 S65H-N 114.73 7.67 T66H-N 117.11 8.73 Q2H-N 123.22 8.9 Q2HE21-NE2 111.95 7.65 Q2HE22-NE2 111.95 6.79 I3H-N 115.34 8.327 F4H-N 118.11 8.605 K6H-N 127.52 8.82 G10H-N 108.89 7.81 L15H-N 124.8 8.703 E16H-N 122.16 8.14 V17H-N 117.21 8.9 E18H-N 118.99 8.64 S20H-N 103.4 7.04 D21H-N 123.48 8.069 T22H-N 108.8 7.9 I23H-N 121.19 8.571 E24H-N 120.83 9.76 N25H-N 120.57 7.92 N25HD21-ND2 109.7 7.82 N25HD22-ND2 109.7 6.89 V26H-N 121.71 8.14 K27H-N 118.86 8.578 A28H-N 123.44 8.06 K29H-N 119.94 7.85 I30H-N 121.08 8.291 Q31H-N 123.49 8.58 Q31HE21-NE2 109.85 7.63 Q31HE22-NE2 109.85 6.8 D32H-N 119.36 8.01 K33H-N 115.13 7.43 E34H-N 108.65 8.74 G35H-N 108.65 6.15 I36H-N 119.88 6.15 D39H-N 113.38 8.55 Q40H-N 116.78 7.82 Q40HE21-NE2 110.75 7.63 Q40HE22-NE2 110.75 6.74 Q41H-N 117.72 7.48 Q41HE21-NE2 104.17 6.22 Q41HE22-NE2 104.17 6.52 R54H-N 119.05 7.46 T55H-N 108.4 8.73 L56H-N 117.92 8.14 S57H-N 113.33 8.47 D58H-N 124.19 7.93 Y59H-N 115.51 7.25 N60H-N 115.9 8.15 N60HD21-ND2 111.15 7.53 N60HD22-ND2 111.15 6.81 I61H-N 118.6 7.25 Q62H-N 124.74 7.61 Q62HE21-NE2 112.15 7.28 Q62HE22-NE2 112.15 6.81 K63H-N 120.3 8.49 S65H-N 114.73 7.67 T66H-N 117.11 8.73