Assignment w1 w2 M1H-N 120.9 8.29 T2H-N 115.82 8.24 I3H-N 122.31 8.14 N4H-N 122.12 8.37 N4HD21-ND2 112.14 7.62 N4HD22-ND2 112.14 6.96 T5H-N 115.09 8.19 E6H-N 121.54 8.48 V7H-N 119.1 7.92 F8H-N 120.88 7.84 I9H-N 119.92 8.1 R10H-N 121.07 8.16 R11H-N 118.86 8.55 N12H-N 116.91 7.89 N12HD21-ND2 112.81 7.5 N12HD22-ND2 112.81 6.52 K13H-N 120.62 8.28 L14H-N 120.5 8.57 R15H-N 120.04 8.51 R16H-N 117.27 7.8 H17H-N 119.47 8.34 F18H-N 119.97 9.31 E19H-N 117.15 8.61 S20H-N 114.67 8.28 E21H-N 122.6 8.69 F22H-N 116.42 9.0 R23H-N 120.72 7.76 Q24H-N 118.6 7.31 Q24HE21-NE2 111.96 7.53 Q24HE22-NE2 111.96 6.88 I25H-N 120.92 8.99 N26H-N 115.03 8.44 N26HD21-ND2 112.3 7.79 N26HD22-ND2 112.3 7.41 N27H-N 121.32 8.05 N27HD21-ND2 112.0 7.64 N27HD22-ND2 112.0 6.96 E28H-N 120.48 8.57 I29H-N 122.12 8.36 R30H-N 123.76 7.99 E31H-N 118.02 8.1 A32H-N 122.43 8.33 S33H-N 117.51 8.87 K34H-N 122.57 7.8 A35H-N 120.92 7.84 A36H-N 117.34 7.65 G37H-N 107.71 7.93 V38H-N 110.83 7.92 S39H-N 115.45 8.16 S40H-N 115.95 8.28 F41H-N 112.94 6.71 H42H-N 118.09 8.99 L43H-N 124.54 10.14 K44H-N 119.74 8.98 Y45H-N 116.36 7.66 S46H-N 114.49 7.65 Q47H-N 124.18 9.17 Q47HE21-NE2 113.96 7.96 Q47HE22-NE2 113.96 6.6 A48H-N 119.39 8.22 L49H-N 117.94 7.54 L50H-N 118.32 7.0 D51H-N 118.99 8.62 R52H-N 118.01 7.96 A53H-N 121.55 7.84 I54H-N 123.15 8.91 Q55H-N 116.36 8.08 Q55HE21-NE2 110.86 7.47 Q55HE22-NE2 110.86 6.76 R56H-N 113.16 7.99 E57H-N 117.0 8.46 I58H-N 112.48 7.26 D59H-N 123.4 8.32 E60H-N 127.42 9.76 T61H-N 115.58 8.24 Y62H-N 123.88 7.25 V63H-N 116.67 7.45 F64H-N 115.81 8.35 E65H-N 120.33 7.97 L66H-N 119.36 7.59 F67H-N 117.3 8.46 H68H-N 114.22 8.25 K69H-N 116.62 7.86 I70H-N 121.88 7.8 K71H-N 117.47 8.48 D72H-N 119.53 7.41 H73H-N 116.44 8.52 V74H-N 113.9 7.12 L75H-N 123.08 8.84 E76H-N 120.18 8.6 V77H-N 120.05 8.15 N78H-N 117.85 8.03 N78HD21-ND2 112.28 7.92 N78HD22-ND2 112.28 7.4 E79H-N 121.09 8.19 F80H-N 119.74 7.41 L81H-N 117.01 8.43 S82H-N 111.92 7.82 M83H-N 123.37 7.32 R86H-N 122.59 8.71 D88H-N 119.47 8.38 I89H-N 116.38 7.55 D90H-N 124.82 8.54 E91H-N 118.51 8.44 D92H-N 117.97 7.8 F93H-N 120.87 7.79 I94H-N 126.59 8.21 D95H-N 126.75 8.53 G96H-N 111.21 8.56 V97H-N 121.03 7.31 E98H-N 126.9 8.13 Y99H-N 123.21 7.95 R100H-N 123.33 9.03 G102H-N 106.3 8.67 R103H-N 117.34 7.56 L104H-N 124.05 8.47 E105H-N 125.2 8.88 I106H-N 121.34 9.01 T107H-N 118.99 8.59 D108H-N 124.31 7.61 G109H-N 111.56 9.22 N110H-N 119.75 8.36 N110HD21-ND2 110.78 7.36 N110HD22-ND2 110.78 6.82 L111H-N 124.13 9.36 W112H-N 128.14 9.59 W112HE1-NE1 130.53 9.71 L113H-N 122.29 9.16 G114H-N 108.17 8.5 F115H-N 122.39 9.77 T116H-N 111.47 8.74 V117H-N 123.43 9.04 C118H-N 127.47 8.87 K119H-N 124.59 8.72 N121H-N 119.23 8.53 N121HD21-ND2 113.22 7.63 N121HD22-ND2 113.22 6.88 E122H-N 119.49 8.55 K123H-N 118.87 8.17 F124H-N 117.55 7.84 K125H-N 121.02 8.2 D126H-N 119.53 7.93 S128H-N 114.24 8.55 L129H-N 123.02 9.02 Q130H-N 121.74 9.37 Q130HE21-NE2 111.49 7.06 Q130HE22-NE2 111.49 7.01 C131H-N 127.66 9.22 R132H-N 128.55 8.66 M133H-N 117.34 7.64 A134H-N 126.59 8.3 I135H-N 120.06 8.8 I136H-N 125.4 8.58 N137H-N 123.58 9.22 N137HD21-ND2 113.64 7.69 N137HD22-ND2 113.64 7.03 S138H-N 119.98 8.98 R139H-N 120.23 8.09 R140H-N 121.55 7.28 L141H-N 126.36 8.27 G143H-N 108.1 8.32 K144H-N 120.34 8.12 A145H-N 123.74 8.24 S146H-N 115.82 8.31 K147H-N 122.05 8.67 A148H-N 119.12 8.16 V149H-N 119.77 7.59 I150H-N 128.06 8.9 K151H-N 127.65 8.38 T152H-N 115.25 8.72 Q153H-N 125.09 8.15 Q153HE21-NE2 111.69 7.56 Q153HE22-NE2 111.69 6.79 M1H-N 120.7 8.29 T2H-N 115.8 8.25 I3H-N 122.3 8.14 N4H-N 122.1 8.37 N4HD21-ND2 112.3 6.96 N4HD22-ND2 112.3 7.62 T5H-N 115.1 8.17 E6H-N 121.6 8.51 V7H-N 119.1 7.95 F8H-N 121.0 7.87 I9H-N 119.9 8.1 R10H-N 121.1 8.17 R11H-N 118.8 8.55 N12H-N 117.0 7.91 N12HD21-ND2 112.8 7.51 N12HD22-ND2 112.8 6.53 K13H-N 120.5 8.29 L14H-N 120.6 8.57 R15H-N 120.0 8.52 R16H-N 117.2 7.82 H17H-N 119.4 8.36 F18H-N 120.0 9.3 E19H-N 117.2 8.63 S20H-N 114.5 8.3 E21H-N 122.6 8.67 F22H-N 116.5 9.01 R23H-N 120.7 7.76 Q24H-N 118.6 7.33 Q24HE21-NE2 111.9 7.52 Q24HE22-NE2 111.9 6.89 I25H-N 120.9 9.0 N26H-N 116.0 8.45 N26HD21-ND2 112.3 7.79 N26HD22-ND2 112.3 7.41 N27H-N 121.3 8.04 N27HD21-ND2 112.0 7.64 N27HD22-ND2 112.0 6.96 E28H-N 120.6 8.56 I29H-N 121.6 8.38 R30H-N 123.8 7.99 E31H-N 118.0 8.1 A32H-N 122.5 8.35 S33H-N 117.5 8.9 K34H-N 122.7 7.81 A35H-N 120.9 7.88 A36H-N 117.3 7.67 G37H-N 107.7 7.93 V38H-N 110.9 7.94 S39H-N 115.5 8.16 S40H-N 115.9 8.29 F41H-N 113.0 6.71 H42H-N 118.0 8.99 L43H-N 124.5 10.15 K44H-N 119.6 8.99 Y45H-N 116.3 7.66 S46H-N 114.5 7.65 Q47H-N 124.2 9.16 Q47HE21-NE2 114.0 7.96 Q47HE22-NE2 114.0 6.61 A48H-N 119.5 8.27 L49H-N 117.9 7.54 L50H-N 118.3 7.01 D51H-N 118.8 8.63 R52H-N 118.1 7.94 A53H-N 121.4 7.86 I54H-N 123.1 8.93 Q55H-N 116.4 8.11 Q55HE21-NE2 110.8 7.48 Q55HE22-NE2 110.8 6.79 R56H-N 113.2 7.99 E57H-N 117.0 8.46 I58H-N 112.6 7.27 D59H-N 123.5 8.3 E60H-N 127.5 9.74 T61H-N 115.2 8.23 Y62H-N 124.0 7.27 V63H-N 116.7 7.47 F64H-N 115.7 8.36 E65H-N 120.3 7.99 L66H-N 119.3 7.62 F67H-N 117.2 8.44 H68H-N 114.2 8.26 K69H-N 116.7 7.86 I70H-N 121.9 7.81 K71H-N 117.3 8.47 D72H-N 119.4 7.44 H73H-N 116.5 8.53 V74H-N 113.9 7.14 L75H-N 123.1 8.87 E76H-N 120.2 8.61 V77H-N 120.0 8.18 N78H-N 117.8 8.03 N78HD21-ND2 112.3 7.45 N78HD22-ND2 112.3 7.92 E79H-N 121.1 8.21 F80H-N 119.8 7.41 L81H-N 116.9 8.4 S82H-N 111.9 7.83 M83H-N 123.4 7.32 R86H-N 122.6 8.73 D88H-N 119.4 8.4 I89H-N 116.3 7.58 D90H-N 124.8 8.56 E91H-N 118.5 8.46 D92H-N 118.0 7.82 F93H-N 120.9 7.8 I94H-N 126.7 8.23 D95H-N 126.9 8.54 G96H-N 111.3 8.58 V97H-N 121.2 7.33 E98H-N 127.0 8.13 Y99H-N 123.3 7.95 R100H-N 123.3 9.04 G102H-N 106.2 8.67 R103H-N 117.3 7.59 L104H-N 124.1 8.48 E105H-N 125.2 8.89 I106H-N 121.4 9.05 T107H-N 119.0 8.6 D108H-N 124.4 7.61 G109H-N 111.5 9.21 N110H-N 119.7 8.36 N110HD21-ND2 110.8 7.36 N110HD22-ND2 110.8 6.83 L111H-N 124.1 9.35 W112H-N 128.1 9.59 W112HE1-NE1 130.5 9.73 L113H-N 122.3 9.15 G114H-N 108.1 8.49 F115H-N 122.3 9.76 T116H-N 111.3 8.74 V117H-N 123.5 9.06 C118H-N 127.5 8.87 K119H-N 124.6 8.71 N121H-N 119.2 8.56 N121HD21-ND2 113.3 7.66 N121HD22-ND2 113.3 6.84 E122H-N 119.5 8.54 K123H-N 118.9 8.19 F124H-N 117.5 7.85 K125H-N 121.0 8.26 D126H-N 119.5 7.94 S128H-N 114.2 8.55 L129H-N 122.9 9.05 Q130H-N 121.7 9.37 Q130HE21-NE2 111.5 7.07 Q130HE22-NE2 111.5 7.01 C131H-N 127.7 9.22 R132H-N 128.6 8.66 M133H-N 117.5 7.67 A134H-N 126.6 8.33 I135H-N 120.1 8.8 I136H-N 125.5 8.59 N137H-N 123.7 9.23 N137HD21-ND2 113.6 7.04 N137HD22-ND2 113.6 7.67 S138H-N 119.8 8.96 R139H-N 120.3 8.1 R140H-N 121.6 7.29 L141H-N 126.5 8.3 G143H-N 108.1 8.33 K144H-N 120.2 8.11 A145H-N 123.6 8.21 S146H-N 115.7 8.3 K147H-N 122.2 8.66 A148H-N 119.2 8.2 V149H-N 120.0 7.62 I150H-N 128.1 8.92 K151H-N 127.7 8.4 T152H-N 115.2 8.74 Q153H-N 125.2 8.2 Q153HE21-NE2 111.6 7.57 Q153HE22-NE2 111.6 6.79