Assignment w1 w2 S5H-N 115.6 8.564 V7H-N 120.8 6.961 R8H-N 126.9 9.121 K9H-N 123.2 9.023 I10H-N 126.6 8.955 I11H-N 126.0 8.661 V12H-N 128.5 8.59 A13H-N 129.5 9.312 S14H-N 113.4 7.877 D15H-N 121.4 9.253 A16H-N 116.5 8.323 G17H-N 110.7 8.015 M18H-N 118.2 9.315 G19H-N 115.4 9.733 S20H-N 129.9 9.628 S21H-N 120.1 9.936 A22H-N 126.4 6.811 M23H-N 118.8 7.276 G24H-N 107.8 8.812 A25H-N 120.7 8.286 G26H-N 103.2 7.614 V27H-N 122.8 7.51 L28H-N 120.5 7.693 R29H-N 118.6 8.96 K30H-N 117.5 7.204 K31H-N 118.0 7.445 I32H-N 121.3 8.346 Q33H-N 120.2 8.424 Q33HE21-NE2 111.2 7.562 Q33HE22-NE2 111.2 6.82 D34H-N 122.8 9.034 A35H-N 120.0 7.49 G36H-N 105.9 7.909 L37H-N 122.1 7.416 S38H-N 115.6 7.841 Q39H-N 119.4 9.138 Q39HE21-NE2 111.8 7.601 Q39HE22-NE2 111.8 6.768 I40H-N 120.3 7.451 S41H-N 122.6 8.623 V42H-N 126.4 8.885 T43H-N 118.6 8.281 N44H-N 115.5 8.198 N44HD21-ND2 117.2 7.145 N44HD22-ND2 117.2 6.947 S45H-N 111.4 7.726 A46H-N 126.3 8.805 I47H-N 125.8 8.08 N48H-N 114.5 8.76 N48HD21-ND2 110.9 7.522 N48HD22-ND2 110.9 6.817 N49H-N 114.7 7.23 N49HD21-ND2 112.1 7.751 N49HD22-ND2 112.1 6.904 L50H-N 122.3 7.373 D53H-N 114.8 7.943 V54H-N 117.4 7.021 D55H-N 123.2 8.069 L56H-N 123.2 7.589 V57H-N 126.3 8.797 I58H-N 131.7 9.283 T59H-N 115.6 8.524 H60H-N 120.9 9.49 R61H-N 126.8 8.062 D62H-N 123.6 11.36 L63H-N 120.5 8.866 T64H-N 119.0 7.752 E65H-N 120.6 9.035 R66H-N 118.9 7.766 A67H-N 123.2 8.039 M68H-N 118.8 8.55 R69H-N 115.4 7.27 Q70H-N 118.3 7.377 Q70HE21-NE2 111.8 7.548 Q70HE22-NE2 111.8 6.905 V71H-N 111.9 7.87 Q73H-N 115.3 9.112 Q73HE21-NE2 112.3 7.702 Q73HE22-NE2 112.3 7.063 A74H-N 122.8 7.134 Q75H-N 116.5 7.634 Q75HE21-NE2 110.6 7.651 Q75HE22-NE2 110.6 6.504 H76H-N 123.0 8.72 I77H-N 125.1 8.755 S78H-N 120.7 8.354 L79H-N 119.4 8.516 T80H-N 107.6 8.415 N81H-N 121.5 7.623 N81HD21-ND2 112.1 7.812 N81HD22-ND2 112.1 7.026 F82H-N 123.0 9.362 L83H-N 119.5 8.435 D84H-N 118.8 6.698 S85H-N 121.6 8.338 G86H-N 112.2 8.704 L87H-N 125.8 7.668 Y88H-N 116.6 7.401 T89H-N 120.9 8.846 S90H-N 118.6 8.147 L91H-N 122.1 8.651 T92H-N 116.5 7.933 E93H-N 119.9 8.21 R94H-N 120.2 8.026 L95H-N 122.6 8.379 V96H-N 121.1 8.7 A97H-N 120.7 7.938 A98H-N 117.5 7.672 Q99H-N 115.1 7.752 Q99HE21-NE2 111.1 7.401 Q99HE22-NE2 111.1 7.125 R100H-N 119.9 7.959 H101H-N 120.0 8.361 T102H-N 115.5 8.17 A103H-N 125.8 8.429 N104H-N 117.6 8.41 N104HD21-ND2 113.1 7.668 N104HD22-ND2 113.1 6.984 E105H-N 121.0 8.342 E106H-N 121.7 8.378 K107H-N 122.2 8.264 V108H-N 121.5 8.15 K109H-N 125.2 8.396 D110H-N 121.8 8.395 S111H-N 116.2 8.272 L112H-N 123.5 8.286 K113H-N 121.4 8.118 D114H-N 121.3 8.304 S115H-N 115.0 7.975 F116H-N 122.0 8.33 D117H-N 126.4 7.975