Assignment w1 w2 K3H-N 127.6 8.54 D4H-N 121.1 7.96 Q5H-N 129.4 10.15 N6H-N 119.4 8.09 N6HD21-ND2 123.1 9.23 N6HD22-ND2 123.1 7.61 G7H-N 109.8 8.69 T8H-N 120.1 8.11 W9H-N 129.9 9.33 W9HE1-NE1 129.2 9.13 E10H-N 128.8 9.75 M11H-N 131.5 8.71 E12H-N 129.7 9.84 S13H-N 116.3 7.67 N14H-N 124.4 8.54 N14HD21-ND2 115.7 7.4 N14HD22-ND2 115.7 6.95 E15H-N 129.7 9.04 N16H-N 124.3 9.53 N16HD21-ND2 113.4 7.48 N16HD22-ND2 113.4 7.42 E18H-N 120.2 9.21 G19H-N 109.2 7.0 Y20H-N 125.1 7.31 M21H-N 117.4 8.17 K22H-N 123.3 8.44 A23H-N 127.8 7.89 L24H-N 118.0 6.86 D25H-N 117.4 8.07 I26H-N 123.5 7.56 D27H-N 131.0 8.5 F28H-N 125.6 8.75 A29H-N 123.9 8.39 T30H-N 117.8 7.86 R31H-N 123.1 8.28 K32H-N 119.1 7.85 I33H-N 120.1 7.15 A34H-N 125.2 7.98 V35H-N 117.2 7.88 R36H-N 122.2 7.69 T40H-N 122.2 9.01 K41H-N 130.3 9.9 I42H-N 129.5 9.5 I43H-N 130.8 9.39 V44H-N 133.2 8.79 Q45H-N 135.8 9.29 Q45HE21-NE2 108.1 7.48 Q45HE22-NE2 108.1 7.37 D46H-N 132.0 8.64 G47H-N 118.6 9.01 D48H-N 130.3 8.88 N49H-N 122.5 8.28 N49HD21-ND2 117.7 7.59 N49HD22-ND2 117.7 6.97 F50H-N 127.3 9.31 K51H-N 126.6 8.96 T52H-N 118.3 8.34 K53H-N 128.3 9.07 T54H-N 123.9 8.6 N55H-N 129.5 9.33 N55HD21-ND2 112.7 7.35 N55HD22-ND2 112.7 6.51 S56H-N 120.5 8.78 T57H-N 114.5 8.52 R59H-N 120.1 7.14 N60H-N 126.3 8.68 N60HD21-ND2 114.7 7.45 N60HD22-ND2 114.7 6.69 Y61H-N 123.4 8.78 D62H-N 131.6 8.72 L63H-N 124.4 8.39 D64H-N 135.7 8.82 F65H-N 118.0 8.31 T66H-N 120.9 9.37 V67H-N 133.0 9.44 G68H-N 116.4 9.52 V69H-N 124.9 7.76 E70H-N 137.1 9.07 F71H-N 125.8 9.32 D72H-N 122.9 8.54 E73H-N 131.2 8.82 H74H-N 130.9 8.85 T75H-N 124.4 9.32 K76H-N 130.1 8.56 L78H-N 125.2 7.66 D79H-N 120.2 10.03 G80H-N 114.1 8.19 R81H-N 120.7 7.73 N82H-N 121.0 8.69 N82HD21-ND2 117.2 7.72 N82HD22-ND2 117.2 6.96 V83H-N 121.9 9.32 K84H-N 126.7 8.87 T85H-N 132.0 9.07 L86H-N 128.5 8.09 V87H-N 134.2 9.12 T88H-N 121.0 9.09 W89H-N 120.7 8.39 W89HE1-NE1 132.2 10.7 E90H-N 128.2 9.47 G91H-N 120.1 9.04 N92H-N 128.0 8.79 N92HD21-ND2 119.1 9.05 N92HD22-ND2 119.1 6.98 T93H-N 120.1 8.32 L94H-N 132.3 9.2 V95H-N 127.8 9.22 C96H-N 130.3 9.12 V97H-N 132.7 8.34 Q98H-N 128.6 8.24 Q98HE21-NE2 117.9 8.27 Q98HE22-NE2 117.9 6.58 K99H-N 130.0 9.12 G100H-N 118.2 8.57 E101H-N 124.9 8.49 K102H-N 116.8 7.16 E103H-N 127.6 8.84 N104H-N 121.1 9.19 N104HD21-ND2 115.3 7.54 N104HD22-ND2 115.3 6.78 R105H-N 123.4 8.26 G106H-N 119.0 8.62 W107H-N 121.3 8.47 W107HE1-NE1 136.1 10.21 K108H-N 120.8 9.3 Q109H-N 126.7 9.77 Q109HE21-NE2 106.1 8.1 Q109HE22-NE2 106.1 5.55 W110H-N 131.8 9.35 W110HE1-NE1 133.9 10.05 V111H-N 122.9 8.44 E112H-N 128.9 8.99 D114H-N 128.3 8.73 K115H-N 120.9 7.99 L116H-N 126.4 8.29 Y117H-N 129.7 9.01 L118H-N 125.5 8.54 E119H-N 129.5 9.5 L120H-N 130.4 9.62 T121H-N 115.5 8.77 C122H-N 123.8 8.38 G123H-N 123.0 8.84 D124H-N 130.0 8.56 Q125H-N 121.4 8.34 Q125HE21-NE2 117.7 7.45 Q125HE22-NE2 117.7 6.68 V126H-N 124.8 8.49 C127H-N 134.0 9.75 R128H-N 131.1 8.32 R128HE-NE 128.9 7.61 Q129H-N 131.3 9.78 V130H-N 123.7 7.64 F131H-N 129.5 9.85 K132H-N 124.1 9.34 K133H-N 131.3 8.67 K134H-N 135.8 8.48 A29H-N 125.1 8.0 K3H-N 127.5 8.61 D4H-N 121.0 8.0 Q5H-N 129.2 10.2 N6H-N 119.2 8.14 N6HD21-ND2 123.4 9.21 N6HD22-ND2 123.4 7.62 G7H-N 109.8 8.77 T8H-N 119.8 8.16 W9H-N 129.8 9.41 W9HE1-NE1 129.2 9.17 E10H-N 128.6 9.83 M11H-N 131.6 8.78 E12H-N 129.8 9.89 S13H-N 116.3 7.75 N14H-N 124.5 8.6 N14HD21-ND2 115.7 7.34 N14HD22-ND2 115.7 6.99 E15H-N 129.8 9.11 N16H-N 124.5 9.59 N16HD21-ND2 114.5 7.48 N16HD22-ND2 114.5 6.73 F17H-N 123.9 8.43 E18H-N 120.4 9.28 G19H-N 109.3 7.09 Y20H-N 125.1 7.37 M21H-N 117.5 8.23 K22H-N 123.4 8.51 A23H-N 128.1 7.96 L24H-N 118.1 6.94 D25H-N 117.5 8.14 I26H-N 123.4 7.64 D27H-N 131.0 8.55 F28H-N 125.7 8.78 A29H-N 123.9 8.44 T30H-N 117.6 7.9 R31H-N 123.4 8.29 K32H-N 119.2 7.89 I33H-N 120.4 7.22 A34H-N 125.1 8.02 V35H-N 117.0 7.96 R36H-N 122.2 7.69 L37H-N 118.1 7.96 T38H-N 121.0 8.34 Q39H-N 128.1 7.16 Q39HE21-NE2 110.6 8.41 Q39HE22-NE2 110.6 5.06 T40H-N 122.2 9.08 K41H-N 130.4 9.97 I42H-N 129.8 9.57 I43H-N 131.0 9.45 V44H-N 133.3 8.86 Q45H-N 135.7 9.35 Q45HE21-NE2 108.1 7.54 Q45HE22-NE2 108.1 7.41 D46H-N 132.2 8.71 G47H-N 118.7 9.06 D48H-N 130.4 8.94 N49H-N 122.8 8.36 N49HD21-ND2 117.5 7.63 N49HD22-ND2 117.5 7.02 F50H-N 127.5 9.38 K51H-N 126.9 9.05 T52H-N 118.1 8.42 K53H-N 128.6 9.15 T54H-N 123.9 8.67 N55H-N 129.8 9.38 N55HD21-ND2 112.8 7.37 N55HD22-ND2 112.8 6.55 S56H-N 120.4 8.85 T57H-N 114.5 8.51 F58H-N 122.8 8.08 R59H-N 120.4 7.19 R59HE-NE 125.7 7.29 N60H-N 126.3 8.7 Y61H-N 123.4 8.82 D62H-N 131.6 8.72 L63H-N 124.5 8.46 D64H-N 135.7 8.88 F65H-N 118.1 8.39 T66H-N 121.0 9.42 V67H-N 133.3 9.51 G68H-N 116.3 9.59 V69H-N 125.1 7.82 E70H-N 136.9 9.13 F71H-N 125.7 9.38 D72H-N 122.8 8.61 E73H-N 131.6 8.9 H74H-N 130.4 8.94 T75H-N 123.9 9.4 K76H-N 130.4 8.65 G77H-N 114.0 8.72 L78H-N 125.1 7.73 D79H-N 120.4 10.1 G80H-N 114.0 8.26 R81H-N 121.0 7.76 N82H-N 121.0 8.75 N82HD21-ND2 117.5 7.74 N82HD22-ND2 117.5 7.0 V83H-N 122.2 9.35 K84H-N 126.9 8.93 T85H-N 132.2 9.16 L86H-N 128.6 8.17 V87H-N 134.5 9.2 T88H-N 121.0 9.17 W89H-N 121.0 8.45 W89HE1-NE1 132.2 10.76 E90H-N 128.1 9.54 G91H-N 119.8 9.08 N92H-N 128.1 8.87 T93H-N 119.8 8.37 L94H-N 132.2 9.26 V95H-N 128.1 9.28 C96H-N 130.4 9.18 V97H-N 132.7 8.41 Q98H-N 128.6 8.31 Q98HE21-NE2 118.2 8.32 Q98HE22-NE2 118.2 6.63 K99H-N 129.8 9.21 G100H-N 118.1 8.62 E101H-N 124.5 8.56 K102H-N 116.9 7.23 E103H-N 127.5 8.9 N104H-N 121.0 9.24 N104HD21-ND2 115.1 7.58 N104HD22-ND2 115.1 6.81 R105H-N 123.4 8.31 R105HE-NE 121.6 5.57 G106H-N 119.2 8.69 W107H-N 121.6 8.54 W107HE1-NE1 136.3 10.22 K108H-N 121.0 9.38 Q109H-N 126.9 9.87 Q109HE21-NE2 106.3 8.08 Q109HE22-NE2 106.3 5.59 W110H-N 131.6 9.41 W110HE1-NE1 134.5 10.02 V111H-N 123.4 8.54 E112H-N 128.6 9.03 G113H-N 122.2 9.38 D114H-N 127.5 8.75 K115H-N 121.0 8.05 L116H-N 126.9 8.37 Y117H-N 129.8 9.09 L118H-N 125.7 8.61 E119H-N 129.2 9.57 L120H-N 130.4 9.67 T121H-N 115.7 8.84 C122H-N 123.9 8.46 G123H-N 123.4 8.93 D124H-N 129.8 8.62 Q125H-N 121.6 8.41 Q125HE21-NE2 117.5 7.49 Q125HE22-NE2 117.5 6.73 V126H-N 124.5 8.54 C127H-N 133.9 9.81 R128H-N 131.0 8.39 R128HE-NE 125.1 7.64 Q129H-N 131.0 9.84 Q129HE21-NE2 106.0 6.08 Q129HE22-NE2 106.0 5.13 V130H-N 123.9 7.73 F131H-N 129.8 9.92 K132H-N 123.9 9.42 K133H-N 131.6 8.72 K134H-N 135.7 8.54 K3H-N 128.1 8.64 Q5H-N 129.8 10.27 G19H-N 109.5 6.98 A23H-N 128.2 8.06 D27H-N 130.9 8.47 F28H-N 125.1 8.88 A29H-N 125.1 8.04 I33H-N 120.4 6.91 V35H-N 118.1 7.95 R36H-N 119.8 7.37 L37H-N 121.0 8.2 R59H-N 121.0 7.02 E73H-N 132.7 8.9 H74H-N 130.9 9.0 E90H-N 128.1 9.61 N92H-N 128.1 8.82 T93H-N 121.0 8.46 L94H-N 132.2 9.32 G106H-N 119.2 8.77 Q109H-N 126.9 9.82 Q109HE21-NE2 106.0 8.04 Q109HE22-NE2 106.0 5.61 W110H-N 130.9 9.36 W110HE1-NE1 132.2 9.46 V111H-N 123.4 8.72 E112H-N 128.6 9.1 G113H-N 122.8 9.51