data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19432_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.72 _LACS_plot.Line_1_terminator_val_y_1 -3.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.52 _LACS_plot.Line_2_terminator_val_x_2 6.96 _LACS_plot.Line_2_terminator_val_y_2 4.91 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 PHE -0.15 -4.70 0 10 ARG -4.13 -1.33 1 11 VAL -6.67 -3.86 1 12 PHE -6.57 -2.15 1 13 PHE -8.72 -4.48 1 14 ASP -0.12 0.61 1 15 MET -2.18 -3.39 1 16 SER -3.72 -1.62 1 17 VAL -2.44 -0.75 1 20 GLN -2.86 -1.68 1 22 ALA -3.16 -1.21 1 24 ARG -4.47 -1.29 1 25 ILE -3.23 -0.39 1 26 VAL -1.21 -0.66 1 27 MET -5.20 -1.20 1 28 GLU -5.23 -2.21 1 29 LEU -4.63 -3.20 1 31 ALA 2.59 2.18 1 32 ASP 2.58 1.01 1 33 THR 1.87 2.98 1 34 THR -2.12 -2.31 1 36 ARG 5.33 4.07 1 37 THR 6.46 5.60 1 38 ALA 3.77 3.25 1 39 GLU 3.00 1.53 1 40 ASN 2.54 3.65 1 41 PHE 3.67 4.14 1 42 ARG 5.12 4.54 1 43 ALA 2.61 1.88 1 44 LEU 3.07 1.69 1 46 THR 1.30 1.01 1 48 GLU 1.03 1.47 1 49 LYS 0.87 -1.69 1 51 THR 1.00 1.09 1 53 ARG 3.99 2.69 1 54 SER 0.88 1.18 1 56 LYS -1.13 -1.62 1 58 LEU 0.75 -2.54 1 59 HIS -0.54 -0.84 1 60 TYR 3.64 2.71 1 61 LYS 4.70 3.10 1 62 ASP -1.36 0.28 1 63 SER -4.44 -1.21 1 64 SER 1.32 -1.74 1 65 PHE -0.35 2.30 1 66 HIS -3.91 -1.19 1 67 ARG -2.73 -0.14 1 68 VAL -2.67 -1.00 1 69 ILE -1.24 -0.95 1 72 PHE -2.12 -0.45 1 73 MET -2.71 -1.53 1 75 GLN -0.08 -2.32 1 78 ASP -1.30 -1.59 1 79 PHE 1.91 0.51 1 80 THR -1.94 -0.22 1 81 ALA -1.46 -1.21 1 83 ASN -0.14 0.74 1 85 THR -3.10 -0.11 1 88 GLU -5.97 -1.12 1 89 SER 4.27 2.68 1 90 ILE -1.30 -1.46 1 91 TYR 1.64 2.19 1 93 ALA -3.86 -1.41 1 94 LYS -4.65 -2.13 1 95 PHE -0.50 -0.16 1 96 ALA 0.55 0.47 1 97 ASP 1.78 3.84 1 98 GLU -0.75 -0.19 1 99 ASN -1.05 -1.84 1 100 PHE 4.54 4.32 1 101 ILE -0.35 -1.37 1 102 LYS -3.23 -1.85 1 103 LYS 4.96 1.92 1 104 HIS 1.71 1.47 1 105 THR -0.72 -1.61 1 109 ILE -1.96 -1.65 1 110 LEU -4.87 -3.31 1 111 SER 0.37 -1.39 1 112 MET -1.26 -0.92 1 113 ALA -0.70 0.97 1 114 ASN -2.19 -2.02 1 115 ALA 3.23 1.29 1 118 ASN -0.73 -1.61 1 119 THR 2.28 2.80 1 120 ASN -3.26 -0.58 1 122 SER -1.26 1.80 1 123 GLN -5.98 -2.22 1 124 PHE -6.49 -3.53 1 125 PHE -1.81 -0.65 1 126 ILE 2.01 -0.88 1 128 THR -5.46 -1.88 1 129 ALA 2.11 1.88 1 130 LYS -3.72 -4.67 1 131 THR 3.56 2.71 1 132 GLU 3.93 1.40 1 133 TRP 2.95 -0.31 1 134 LEU 3.22 1.71 1 135 ASP -2.58 -0.12 1 137 LYS -3.36 -0.41 1 138 HIS 3.03 1.75 1 139 VAL 2.19 0.81 1 140 VAL -4.53 -1.74 1 141 PHE -3.89 -1.94 1 143 GLN 2.43 2.01 1 144 VAL -0.87 -0.64 1 145 VAL -3.81 -0.21 1 146 GLU 4.67 1.16 1 148 MET 4.88 2.81 1 149 ASP 5.09 3.31 1 150 VAL 6.97 4.96 1 151 VAL 4.44 2.43 1 152 LYS 4.38 2.85 1 153 ALA 4.91 4.09 1 154 ILE 2.00 3.02 1 155 GLU 2.49 2.18 1 156 LYS -0.70 -1.88 1 157 VAL -3.00 -0.30 1 159 SER 4.96 3.75 1 160 SER 0.10 0.81 1 161 SER 1.18 0.84 1 163 ARG -3.16 -2.31 1 164 THR 0.28 0.96 1 165 ALA -8.26 -2.80 1 166 LYS 1.76 1.66 1 167 LYS -0.38 -0.11 1 168 VAL -4.52 -0.81 1 169 VAL 2.16 -0.86 1 170 VAL 1.60 1.29 1 171 GLU -4.08 -1.27 1 172 ASP -2.13 -0.84 1 175 GLN -1.17 0.30 1 176 LEU 1.60 2.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19432_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.72 _LACS_plot.Line_1_terminator_val_y_1 5.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.48 _LACS_plot.Line_2_terminator_val_x_2 6.96 _LACS_plot.Line_2_terminator_val_y_2 -2.05 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 PHE -0.15 -4.55 0 10 ARG -4.13 2.80 1 11 VAL -6.67 2.81 1 12 PHE -6.57 4.42 1 13 PHE -8.72 4.24 1 14 ASP -0.12 0.73 1 15 MET -2.18 -1.21 1 16 SER -3.72 2.10 1 17 VAL -2.44 1.69 1 20 GLN -2.86 1.18 1 22 ALA -3.16 1.95 1 24 ARG -4.47 3.18 1 25 ILE -3.23 2.84 1 26 VAL -1.21 0.55 1 27 MET -5.20 4.00 1 28 GLU -5.23 3.02 1 29 LEU -4.63 1.43 1 31 ALA 2.59 -0.41 1 32 ASP 2.58 -1.57 1 33 THR 1.87 1.11 1 34 THR -2.12 -0.19 1 36 ARG 5.33 -1.26 1 37 THR 6.46 -0.86 1 38 ALA 3.77 -0.52 1 39 GLU 3.00 -1.47 1 40 ASN 2.54 1.11 1 41 PHE 3.67 0.47 1 42 ARG 5.12 -0.58 1 43 ALA 2.61 -0.73 1 44 LEU 3.07 -1.38 1 46 THR 1.30 -0.29 1 48 GLU 1.03 0.44 1 49 LYS 0.87 -2.56 1 51 THR 1.00 0.09 1 53 ARG 3.99 -1.30 1 54 SER 0.88 0.30 1 56 LYS -1.13 -0.49 1 58 LEU 0.75 -3.29 1 59 HIS -0.54 -0.30 1 60 TYR 3.64 -0.93 1 61 LYS 4.70 -1.60 1 62 ASP -1.36 1.64 1 63 SER -4.44 3.23 1 64 SER 1.32 -3.06 1 65 PHE -0.35 2.65 1 66 HIS -3.91 2.72 1 67 ARG -2.73 2.59 1 68 VAL -2.67 1.67 1 69 ILE -1.24 0.29 1 72 PHE -2.12 1.67 1 73 MET -2.71 1.18 1 75 GLN -0.08 -2.24 1 78 ASP -1.30 -0.29 1 79 PHE 1.91 -1.40 1 80 THR -1.94 1.72 1 81 ALA -1.46 0.25 1 83 ASN -0.14 0.88 1 85 THR -3.10 2.99 1 88 GLU -5.97 4.85 1 89 SER 4.27 -1.59 1 90 ILE -1.30 -0.16 1 91 TYR 1.64 0.55 1 93 ALA -3.86 2.45 1 94 LYS -4.65 2.52 1 95 PHE -0.50 0.34 1 96 ALA 0.55 -0.08 1 97 ASP 1.78 2.06 1 98 GLU -0.75 0.56 1 99 ASN -1.05 -0.79 1 100 PHE 4.54 -0.22 1 101 ILE -0.35 -1.02 1 102 LYS -3.23 1.38 1 103 LYS 4.96 -3.04 1 104 HIS 1.71 -0.24 1 105 THR -0.72 -0.89 1 109 ILE -1.96 0.31 1 110 LEU -4.87 1.56 1 111 SER 0.37 -1.76 1 112 MET -1.26 0.34 1 113 ALA -0.70 1.67 1 114 ASN -2.19 0.17 1 115 ALA 3.23 -1.94 1 118 ASN -0.73 -0.88 1 119 THR 2.28 0.52 1 120 ASN -3.26 2.68 1 122 SER -1.26 3.06 1 123 GLN -5.98 3.76 1 124 PHE -6.49 2.96 1 125 PHE -1.81 1.16 1 126 ILE 2.01 -2.89 1 128 THR -5.46 3.58 1 129 ALA 2.11 -0.23 1 130 LYS -3.72 -0.95 1 131 THR 3.56 -0.85 1 132 GLU 3.93 -2.53 1 133 TRP 2.95 -3.26 1 134 LEU 3.22 -1.51 1 135 ASP -2.58 2.46 1 137 LYS -3.36 2.95 1 138 HIS 3.03 -1.28 1 139 VAL 2.19 -1.38 1 140 VAL -4.53 2.79 1 141 PHE -3.89 1.95 1 143 GLN 2.43 -0.42 1 144 VAL -0.87 0.23 1 145 VAL -3.81 3.60 1 146 GLU 4.67 -3.51 1 148 MET 4.88 -2.07 1 149 ASP 5.09 -1.78 1 150 VAL 6.97 -2.01 1 151 VAL 4.44 -2.01 1 152 LYS 4.38 -1.53 1 153 ALA 4.91 -0.82 1 154 ILE 2.00 1.02 1 155 GLU 2.49 -0.31 1 156 LYS -0.70 -1.18 1 157 VAL -3.00 2.70 1 159 SER 4.96 -1.21 1 160 SER 0.10 0.71 1 161 SER 1.18 -0.34 1 163 ARG -3.16 0.85 1 164 THR 0.28 0.68 1 165 ALA -8.26 5.46 1 166 LYS 1.76 -0.10 1 167 LYS -0.38 0.27 1 168 VAL -4.52 3.71 1 169 VAL 2.16 -3.02 1 170 VAL 1.60 -0.31 1 171 GLU -4.08 2.81 1 172 ASP -2.13 1.29 1 175 GLN -1.17 1.47 1 176 LEU 1.60 0.40 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19432_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.72 _LACS_plot.Line_1_terminator_val_y_1 1.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 6.96 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 130 LYS -3.72 -0.67 0 165 ALA -8.26 0.18 0 10 ARG -4.13 1.30 1 11 VAL -6.67 1.20 1 12 PHE -6.57 1.51 1 13 PHE -8.72 0.72 1 14 ASP -0.12 0.84 1 15 MET -2.18 1.25 1 16 SER -3.72 0.65 1 17 VAL -2.44 0.60 1 22 ALA -3.16 0.36 1 24 ARG -4.47 1.28 1 25 ILE -3.23 0.44 1 26 VAL -1.21 0.85 1 27 MET -5.20 0.42 1 28 GLU -5.23 0.57 1 29 LEU -4.63 0.41 1 30 PHE -0.15 0.49 1 31 ALA 2.59 -0.43 1 32 ASP 2.58 -0.37 1 33 THR 1.87 0.06 1 34 THR -2.12 -0.06 1 36 ARG 5.33 -0.29 1 37 THR 6.46 -0.30 1 38 ALA 3.77 -0.18 1 39 GLU 3.00 0.18 1 40 ASN 2.54 -0.73 1 41 PHE 3.67 -0.54 1 42 ARG 5.12 -0.68 1 43 ALA 2.61 -0.19 1 44 LEU 3.07 -0.49 1 46 THR 1.30 0.07 1 48 GLU 1.03 -0.22 1 49 LYS 0.87 -0.02 1 51 THR 1.00 -0.21 1 53 ARG 3.99 -0.25 1 54 SER 0.88 -0.20 1 58 LEU 0.75 -0.68 1 59 HIS -0.54 -0.02 1 60 TYR 3.64 -1.11 1 61 LYS 4.70 -0.48 1 62 ASP -1.36 0.24 1 63 SER -4.44 1.37 1 64 SER 1.32 0.71 1 65 PHE -0.35 -0.06 1 66 HIS -3.91 0.71 1 67 ARG -2.73 0.34 1 68 VAL -2.67 0.70 1 69 ILE -1.24 0.50 1 72 PHE -2.12 0.74 1 73 MET -2.71 0.81 1 75 GLN -0.08 -0.22 1 78 ASP -1.30 0.36 1 79 PHE 1.91 0.33 1 80 THR -1.94 0.19 1 81 ALA -1.46 -0.11 1 83 ASN -0.14 0.08 1 85 THR -3.10 0.12 1 88 GLU -5.97 0.58 1 89 SER 4.27 -0.22 1 90 ILE -1.30 0.11 1 91 TYR 1.64 -0.08 1 93 ALA -3.86 1.03 1 94 LYS -4.65 0.45 1 95 PHE -0.50 -0.51 1 96 ALA 0.55 -0.40 1 97 ASP 1.78 -0.53 1 98 GLU -0.75 -0.59 1 99 ASN -1.05 1.35 1 100 PHE 4.54 -0.60 1 101 ILE -0.35 0.08 1 102 LYS -3.23 0.32 1 103 LYS 4.96 -0.35 1 104 HIS 1.71 -0.34 1 105 THR -0.72 -0.17 1 109 ILE -1.96 0.62 1 110 LEU -4.87 0.89 1 111 SER 0.37 0.79 1 112 MET -1.26 -0.10 1 113 ALA -0.70 -0.16 1 114 ASN -2.19 0.50 1 115 ALA 3.23 -0.72 1 118 ASN -0.73 0.10 1 119 THR 2.28 -0.55 1 120 ASN -3.26 0.26 1 122 SER -1.26 0.92 1 123 GLN -5.98 1.07 1 124 PHE -6.49 1.00 1 125 PHE -1.81 0.62 1 126 ILE 2.01 -0.03 1 128 THR -5.46 0.05 1 129 ALA 2.11 -0.53 1 131 THR 3.56 -0.23 1 132 GLU 3.93 -1.26 1 133 TRP 2.95 -0.12 1 134 LEU 3.22 0.50 1 135 ASP -2.58 -0.18 1 137 LYS 3.03 -0.83 1 139 VAL 2.19 0.15 1 140 VAL -4.53 0.76 1 141 PHE -3.89 0.66 1 143 GLN 2.43 -0.18 1 144 VAL -0.87 0.48 1 145 VAL -3.81 0.34 1 146 GLU 4.67 0.10 1 148 MET 4.88 -0.32 1 149 ASP 5.09 -0.44 1 150 VAL 6.97 -0.71 1 151 VAL 4.44 -0.12 1 152 LYS 4.38 -0.19 1 153 ALA 4.91 -0.65 1 154 ILE 2.00 -0.77 1 155 GLU 2.49 -0.21 1 156 LYS -0.70 0.72 1 157 VAL -3.00 0.36 1 159 SER 4.96 -0.16 1 160 SER 0.10 -0.01 1 161 SER 1.18 0.06 1 163 ARG -3.16 0.78 1 164 THR 0.28 -0.08 1 166 LYS 1.76 -0.26 1 167 LYS -0.38 0.76 1 168 VAL -4.52 0.41 1 169 VAL 2.16 0.03 1 170 VAL 1.60 -0.22 1 171 GLU -4.08 0.23 1 172 ASP -2.13 0.70 1 175 GLN -1.17 0.24 1 176 LEU 1.60 -0.20 1 stop_ save_