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 bmr50010_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.96 _LACS_plot.Line_1_terminator_val_y_1 -2.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 7.73 _LACS_plot.Line_2_terminator_val_y_2 5.46 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 ALA -8.49 -8.51 0 10 LYS 0.53 0.76 1 12 GLU 3.59 3.01 1 13 GLU 2.20 1.87 1 14 LEU 1.74 0.72 1 15 PHE 0.32 0.40 1 16 THR 3.07 2.34 1 18 VAL 1.55 0.71 1 19 VAL -4.99 -0.70 1 21 ILE -5.57 -1.71 1 22 LEU -5.08 -1.23 1 23 VAL -4.65 -2.08 1 24 GLU -4.99 -0.91 1 25 LEU -4.36 -1.20 1 26 ASP -2.62 -0.19 1 28 ASP -3.50 -0.73 1 29 VAL -2.83 -1.45 1 30 ASN 3.25 1.40 1 32 HIS 0.02 0.48 1 33 LYS -0.82 -0.42 1 34 PHE -3.80 -1.80 1 35 SER -3.18 -0.59 1 36 VAL -6.31 -1.99 1 37 ARG -4.61 -1.59 1 39 GLU -6.61 -2.25 1 41 GLU -5.01 -1.45 1 43 ASP -3.93 -2.63 1 44 ALA 0.85 2.02 1 45 THR 6.39 4.89 1 46 ASN -1.95 -0.02 1 48 LYS -5.39 -1.02 1 49 LEU -3.98 -0.96 1 50 THR -2.32 -1.64 1 52 LYS -2.47 -1.14 1 53 PHE -5.56 -1.90 1 54 ILE -5.21 -1.97 1 56 THR 3.77 1.76 1 57 THR 0.27 -0.40 1 59 LYS -1.11 -1.00 1 60 LEU -1.75 -1.79 1 62 VAL -3.13 -3.35 1 66 THR 3.36 2.59 1 67 LEU -2.07 -0.87 1 68 VAL 7.74 6.54 1 69 THR 3.47 1.95 1 70 THR 6.44 4.93 1 71 LEU 2.27 1.72 1 75 VAL -2.63 -3.64 1 76 LEU 4.34 1.26 1 78 PHE 3.71 2.55 1 79 SER 0.76 1.05 1 80 ARG -0.02 -0.45 1 81 TYR -2.71 -2.52 1 83 ASP 0.54 1.65 1 85 MET -1.67 -0.86 1 86 LYS 5.08 4.41 1 87 ARG 3.58 1.11 1 88 HIS -2.05 0.08 1 89 ASP 0.66 -2.06 1 90 PHE 2.10 2.55 1 92 LYS 3.72 3.45 1 93 SER 3.43 2.45 1 94 ALA -0.74 -0.51 1 95 MET 0.85 -0.39 1 97 GLU 6.13 5.13 1 99 TYR -5.26 -2.62 1 100 VAL -1.94 -1.25 1 101 GLN -4.53 -0.33 1 102 GLU -5.34 -1.38 1 103 ARG -4.52 -0.28 1 104 THR 0.44 1.54 1 105 ILE -2.28 -1.44 1 106 SER -1.45 -1.70 1 107 PHE 1.82 0.60 1 108 LYS 2.85 2.43 1 109 ASP 3.35 2.13 1 110 ASP -3.27 -0.45 1 112 THR -5.20 -1.19 1 113 TYR -6.02 -4.77 1 114 LYS -1.66 -0.62 1 115 THR -3.45 -2.27 1 116 ARG -0.70 0.93 1 117 ALA -8.96 -2.78 1 118 GLU -3.38 -0.87 1 119 VAL -0.55 -1.74 1 120 LYS -3.36 -1.22 1 121 PHE 0.96 1.63 1 122 GLU -1.02 -0.73 1 124 ASP -0.22 0.13 1 125 THR -1.18 0.56 1 126 LEU -1.27 -2.47 1 127 VAL -3.43 -2.08 1 128 ASN -4.29 -2.10 1 129 ARG -0.53 0.28 1 130 ILE -4.91 0.19 1 131 GLU -4.00 -1.15 1 133 LYS -3.86 -1.44 1 135 ILE -4.91 -1.10 1 136 ASP 4.33 1.58 1 137 PHE 1.97 1.75 1 138 LYS -0.87 -0.48 1 139 GLU 3.95 3.22 1 140 ASP -0.74 -1.82 1 142 ASN 2.89 2.42 1 143 ILE 5.69 2.93 1 144 LEU 4.28 1.56 1 146 HIS 3.69 3.07 1 147 LYS -1.12 -1.40 1 148 LEU 0.22 -0.87 1 149 GLU -1.31 -0.16 1 150 TYR 2.58 -0.23 1 151 ASN -1.23 -0.79 1 152 PHE -4.34 1.78 1 153 ASN -2.02 0.09 1 155 HIS -1.23 2.22 1 157 VAL -1.34 -0.54 1 158 TYR 1.05 0.99 1 159 ILE -1.70 -1.19 1 160 THR -4.96 -2.76 1 161 ALA -0.87 0.16 1 163 LYS 1.95 3.52 1 164 GLN 3.55 2.74 1 165 LYS -0.90 -1.22 1 166 ASN 1.71 1.05 1 168 ILE -6.91 -2.94 1 169 LYS -5.10 -1.29 1 170 SER -2.63 -0.39 1 171 ASN -3.87 -0.42 1 172 PHE -2.18 -1.28 1 174 ILE -3.76 -5.51 1 175 ARG -1.57 -1.28 1 176 HIS -1.88 -0.66 1 177 ASN 3.16 1.96 1 178 VAL 0.38 -0.47 1 179 GLU 3.00 2.68 1 180 ASP 0.07 -0.75 1 182 SER -0.84 0.01 1 183 VAL -3.33 -0.89 1 184 GLN -4.23 -2.60 1 185 LEU -1.67 -0.21 1 186 ALA -4.00 -1.73 1 187 ASP 0.58 1.59 1 188 HIS 0.23 0.77 1 189 TYR -1.32 -0.42 1 190 GLN -6.50 -2.12 1 191 GLN -4.44 -0.63 1 192 ASN -3.25 -0.67 1 193 THR -2.62 -1.16 1 195 ILE 2.80 2.81 1 197 ASP -1.05 -0.42 1 200 VAL -4.94 -2.63 1 201 LEU 0.15 -1.04 1 202 LEU 1.80 2.43 1 204 ASP -0.47 -0.19 1 205 ASN 2.47 1.03 1 206 HIS 1.58 1.08 1 207 TYR -5.43 -2.12 1 208 LEU -3.31 -2.53 1 209 SER -2.18 -1.45 1 210 THR -2.34 -1.76 1 211 GLN -2.30 1.22 1 212 SER -3.21 0.26 1 213 LYS -3.56 -1.06 1 214 LEU -1.25 -1.49 1 215 SER -1.06 1.19 1 219 ASN -0.59 -0.03 1 220 GLU -2.65 -1.55 1 221 LYS 0.36 0.40 1 222 ARG 0.30 0.50 1 223 ASP 1.10 1.52 1 224 HIS -2.39 1.70 1 225 MET -5.04 -0.59 1 226 VAL 1.59 0.18 1 227 LEU -7.48 -1.65 1 228 LEU -3.36 -1.22 1 229 GLU -6.56 -2.37 1 230 PHE -7.09 -2.82 1 231 VAL -3.06 -0.86 1 232 THR -3.77 -1.73 1 233 ALA -1.23 -1.03 1 234 ALA -3.53 -0.77 1 236 ILE -0.83 -0.26 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr50010_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.96 _LACS_plot.Line_1_terminator_val_y_1 6.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.69 _LACS_plot.Line_2_terminator_val_x_2 7.73 _LACS_plot.Line_2_terminator_val_y_2 -2.27 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 ALA -8.49 -0.02 0 10 LYS 0.53 0.23 1 12 GLU 3.59 -0.58 1 13 GLU 2.20 -0.33 1 14 LEU 1.74 -1.02 1 15 PHE 0.32 0.08 1 16 THR 3.07 -0.73 1 18 VAL 1.55 -0.84 1 19 VAL -4.99 4.29 1 21 ILE -5.57 3.86 1 22 LEU -5.08 3.85 1 23 VAL -4.65 2.57 1 24 GLU -4.99 4.08 1 25 LEU -4.36 3.16 1 26 ASP -2.62 2.43 1 28 ASP -3.50 2.77 1 29 VAL -2.83 1.38 1 30 ASN 3.25 -1.85 1 32 HIS 0.02 0.46 1 33 LYS -0.82 0.40 1 34 PHE -3.80 2.00 1 35 SER -3.18 2.59 1 36 VAL -6.31 4.32 1 37 ARG -4.61 3.02 1 39 GLU -6.61 4.36 1 41 GLU -5.01 3.56 1 43 ASP -3.93 1.30 1 44 ALA 0.85 1.17 1 45 THR 6.39 -1.50 1 46 ASN -1.95 1.93 1 48 LYS -5.39 4.37 1 49 LEU -3.98 3.02 1 50 THR -2.32 0.68 1 52 LYS -2.47 1.33 1 53 PHE -5.56 3.66 1 54 ILE -5.21 3.24 1 56 THR 3.77 -2.01 1 57 THR 0.27 -0.67 1 59 LYS -1.11 0.11 1 60 LEU -1.75 -0.04 1 62 VAL -3.13 -0.22 1 66 THR 3.36 -0.77 1 67 LEU -2.07 1.20 1 68 VAL 7.74 -1.20 1 69 THR 3.47 -1.52 1 70 THR 6.44 -1.51 1 71 LEU 2.27 -0.55 1 75 VAL -2.63 -1.01 1 76 LEU 4.34 -3.08 1 78 PHE 3.71 -1.16 1 79 SER 0.76 0.29 1 80 ARG -0.02 -0.43 1 81 TYR -2.71 0.19 1 83 ASP 0.54 1.11 1 85 MET -1.67 0.81 1 86 LYS 5.08 -0.67 1 87 ARG 3.58 -2.47 1 88 HIS -2.05 2.13 1 89 ASP 0.66 -2.72 1 90 PHE 2.10 0.45 1 92 LYS 3.72 -0.27 1 93 SER 3.43 -0.98 1 94 ALA -0.74 0.23 1 95 MET 0.85 -1.24 1 97 GLU 6.13 -1.00 1 99 TYR -5.26 2.64 1 100 VAL -1.94 0.69 1 101 GLN -4.53 4.20 1 102 GLU -5.34 3.96 1 103 ARG -4.52 4.24 1 104 THR 0.44 1.10 1 105 ILE -2.28 0.84 1 106 SER -1.45 -0.25 1 107 PHE 1.82 -1.22 1 108 LYS 2.85 -0.42 1 109 ASP 3.35 -1.22 1 110 ASP -3.27 2.82 1 112 THR -5.20 4.01 1 113 TYR -6.02 1.25 1 114 LYS -1.66 1.04 1 115 THR -3.45 1.18 1 116 ARG -0.70 1.63 1 117 ALA -8.96 6.18 1 118 GLU -3.38 2.51 1 119 VAL -0.55 -1.19 1 120 LYS -3.36 2.14 1 121 PHE 0.96 0.67 1 122 GLU -1.02 0.29 1 124 ASP -0.22 0.35 1 125 THR -1.18 1.74 1 126 LEU -1.27 -1.20 1 127 VAL -3.43 1.35 1 128 ASN -4.29 2.19 1 129 ARG -0.53 0.81 1 130 ILE -4.91 5.10 1 131 GLU -4.00 2.85 1 133 LYS -3.86 2.42 1 135 ILE -4.91 3.81 1 136 ASP 4.33 -2.75 1 137 PHE 1.97 -0.22 1 138 LYS -0.87 0.39 1 139 GLU 3.95 -0.73 1 140 ASP -0.74 -1.08 1 142 ASN 2.89 -0.47 1 143 ILE 5.69 -2.76 1 144 LEU 4.28 -2.72 1 146 HIS 3.69 -0.62 1 147 LYS -1.12 -0.28 1 148 LEU 0.22 -1.09 1 149 GLU -1.31 1.15 1 150 TYR 2.58 -2.81 1 151 ASN -1.23 0.44 1 152 PHE -4.34 6.12 1 153 ASN -2.02 2.11 1 155 HIS -1.23 3.45 1 157 VAL -1.34 0.80 1 158 TYR 1.05 -0.06 1 159 ILE -1.70 0.51 1 160 THR -4.96 2.20 1 161 ALA -0.87 1.03 1 163 LYS 1.95 1.57 1 164 GLN 3.55 -0.81 1 165 LYS -0.90 -0.32 1 166 ASN 1.71 -0.66 1 168 ILE -6.91 3.97 1 169 LYS -5.10 3.81 1 170 SER -2.63 2.24 1 171 ASN -3.87 3.45 1 172 PHE -2.18 0.90 1 174 ILE -3.76 -1.75 1 175 ARG -1.57 0.29 1 176 HIS -1.88 1.22 1 177 ASN 3.16 -1.20 1 178 VAL 0.38 -0.85 1 179 GLU 3.00 -0.32 1 180 ASP 0.07 -0.82 1 182 SER -0.84 0.85 1 183 VAL -3.33 2.44 1 184 GLN -4.23 1.63 1 185 LEU -1.67 1.46 1 186 ALA -4.00 2.27 1 187 ASP 0.58 1.01 1 188 HIS 0.23 0.54 1 189 TYR -1.32 0.90 1 190 GLN -6.50 4.38 1 191 GLN -4.44 3.81 1 192 ASN -3.25 2.58 1 193 THR -2.62 1.46 1 195 ILE 2.80 0.01 1 197 ASP -1.05 0.63 1 200 VAL -4.94 2.31 1 201 LEU 0.15 -1.19 1 202 LEU 1.80 0.63 1 204 ASP -0.47 0.28 1 205 ASN 2.47 -1.44 1 206 HIS 1.58 -0.50 1 207 TYR -5.43 3.31 1 208 LEU -3.31 0.78 1 209 SER -2.18 0.73 1 210 THR -2.34 0.58 1 211 GLN -2.30 3.52 1 212 SER -3.21 3.47 1 213 LYS -3.56 2.50 1 214 LEU -1.25 -0.24 1 215 SER -1.06 2.25 1 219 ASN -0.59 0.56 1 220 GLU -2.65 1.10 1 221 LYS 0.36 0.04 1 222 ARG 0.30 0.20 1 223 ASP 1.10 0.42 1 224 HIS -2.39 4.09 1 225 MET -5.04 4.45 1 226 VAL 1.59 -1.41 1 227 LEU -7.48 5.83 1 228 LEU -3.36 2.14 1 229 GLU -6.56 4.19 1 230 PHE -7.09 4.27 1 231 VAL -3.06 2.20 1 232 THR -3.77 2.04 1 233 ALA -1.23 0.20 1 234 ALA -3.53 2.76 1 236 ILE -0.83 0.57 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr50010_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.96 _LACS_plot.Line_1_terminator_val_y_1 -2.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.01 _LACS_plot.Line_2_terminator_val_x_2 7.73 _LACS_plot.Line_2_terminator_val_y_2 0.81 _LACS_plot.Y_axis_chem_shift_offset 0.62 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 LYS -0.87 2.63 0 69 THR 3.47 2.87 0 224 HIS -2.39 -4.55 0 76 LEU 4.34 -2.55 0 227 LEU -7.48 -4.41 0 78 PHE 3.71 -3.13 0 68 VAL 7.74 -0.44 0 10 LYS 0.53 1.17 1 12 GLU 3.59 2.36 1 13 GLU 2.20 1.09 1 14 LEU 1.74 -0.39 1 15 PHE 0.32 0.26 1 16 THR 3.07 -0.45 1 18 VAL 1.55 0.42 1 19 VAL -4.99 -1.26 1 21 ILE -5.57 -0.57 1 22 LEU -5.08 -3.14 1 23 VAL -4.65 -1.31 1 24 GLU -4.99 -3.15 1 25 LEU -4.36 -3.75 1 26 ASP -2.62 -1.90 1 28 ASP -3.50 -0.01 1 29 VAL -2.83 -1.36 1 30 ASN 3.25 -1.31 1 32 HIS 0.02 0.87 1 33 LYS -0.82 0.51 1 34 PHE -3.80 -3.22 1 35 SER -3.18 -1.52 1 36 VAL -6.31 -1.87 1 37 ARG -4.61 -0.51 1 39 GLU -6.61 -0.78 1 41 GLU -5.01 -2.44 1 43 ASP -3.93 0.42 1 44 ALA 0.85 2.06 1 45 THR 6.39 0.47 1 46 ASN -1.95 -0.30 1 48 LYS -5.39 -2.27 1 49 LEU -3.98 -2.88 1 50 THR -2.32 -0.89 1 52 LYS -2.47 -1.89 1 53 PHE -5.56 -1.30 1 54 ILE -5.21 -0.14 1 56 THR 3.77 1.33 1 57 THR 0.27 -0.61 1 59 LYS -1.11 0.84 1 60 LEU -1.75 -0.31 1 66 THR 3.36 -0.30 1 67 LEU -2.07 -0.92 1 70 THR 6.44 -0.02 1 71 LEU 2.27 -2.13 1 75 VAL -2.63 0.24 1 79 SER 0.76 -1.72 1 80 ARG -0.02 -0.79 1 81 TYR -2.71 -1.88 1 83 ASP 0.54 1.08 1 85 MET -1.67 -0.22 1 86 LYS 5.08 1.86 1 87 ARG 3.58 -2.36 1 88 HIS -2.05 -0.20 1 89 ASP 0.66 -1.21 1 90 PHE 2.10 1.32 1 92 LYS 3.72 2.30 1 93 SER 3.43 -0.38 1 94 ALA -0.74 -1.23 1 95 MET 0.85 -0.23 1 97 GLU 6.13 0.73 1 99 TYR -5.26 -2.93 1 100 VAL -1.94 0.96 1 101 GLN -4.53 -1.07 1 102 GLU -5.34 -0.88 1 103 ARG -4.52 0.75 1 104 THR 0.44 -0.99 1 105 ILE -2.28 -1.98 1 106 SER -1.45 0.31 1 107 PHE 1.82 -0.71 1 108 LYS 2.85 0.53 1 109 ASP 3.35 -2.23 1 110 ASP -3.27 0.84 1 112 THR -5.20 1.23 1 113 TYR -6.02 -0.59 1 114 LYS -1.66 0.37 1 115 THR -3.45 -1.00 1 116 ARG -0.70 -3.04 1 117 ALA -8.96 -1.55 1 118 GLU -3.38 -2.22 1 119 VAL -0.55 -1.79 1 120 LYS -3.36 -2.25 1 121 PHE 0.96 1.33 1 122 GLU -1.02 0.05 1 124 ASP -0.22 -1.02 1 125 THR -1.18 -3.33 1 126 LEU -1.27 -3.15 1 127 VAL -3.43 -2.34 1 128 ASN -4.29 -1.26 1 129 ARG -0.53 0.13 1 130 ILE -4.91 -0.75 1 131 GLU -4.00 -2.06 1 133 LYS -3.86 -1.35 1 135 ILE -4.91 -2.90 1 136 ASP 4.33 -0.98 1 137 PHE 1.97 1.93 1 139 GLU 3.95 -1.09 1 140 ASP -0.74 0.36 1 142 ASN 2.89 0.12 1 143 ILE 5.69 -0.13 1 144 LEU 4.28 0.75 1 146 HIS 3.69 1.17 1 147 LYS -1.12 -1.10 1 148 LEU 0.22 0.10 1 149 GLU -1.31 0.23 1 150 TYR 2.58 -3.12 1 151 ASN -1.23 -2.65 1 152 PHE -4.34 -1.51 1 153 ASN -2.02 -2.70 1 155 HIS -1.23 -1.36 1 158 TYR 1.05 -0.19 1 159 ILE -1.70 -2.36 1 160 THR -4.96 -2.16 1 161 ALA -0.87 -0.99 1 163 LYS 1.95 -1.54 1 164 GLN 3.55 1.19 1 165 LYS -0.90 -1.06 1 166 ASN 1.71 -2.95 1 168 ILE -6.91 -1.81 1 169 LYS -5.10 -1.89 1 170 SER -2.63 -1.19 1 171 ASN -3.87 -1.26 1 172 PHE -2.18 -3.18 1 174 ILE -3.76 -1.41 1 175 ARG -1.57 -0.44 1 176 HIS -1.88 0.18 1 177 ASN 3.16 0.32 1 178 VAL 0.38 0.85 1 179 GLU 3.00 -1.00 1 180 ASP 0.07 0.88 1 182 SER -0.84 -1.98 1 183 VAL -3.33 -1.39 1 184 GLN -4.23 -1.52 1 185 LEU -1.67 0.49 1 186 ALA -4.00 -0.47 1 187 ASP 0.58 -1.47 1 188 HIS 0.23 -0.55 1 189 TYR -1.32 -1.22 1 190 GLN -6.50 -2.52 1 191 GLN -4.44 -1.29 1 192 ASN -3.25 -1.29 1 193 THR -2.62 -1.71 1 195 ILE 2.80 1.12 1 197 ASP -1.05 0.92 1 200 VAL -4.94 -1.01 1 201 LEU 0.15 -2.79 1 202 LEU 1.80 0.35 1 204 ASP -0.47 -0.57 1 205 ASN 2.47 0.07 1 206 HIS 1.58 -3.18 1 207 TYR -5.43 -2.38 1 208 LEU -3.31 -1.30 1 209 SER -2.18 0.50 1 210 THR -2.34 0.02 1 211 GLN -2.30 -0.84 1 212 SER -3.21 -2.10 1 213 LYS -3.56 -1.38 1 214 LEU -1.25 -0.62 1 215 SER -1.06 1.88 1 219 ASN -0.59 -0.83 1 220 GLU -2.65 -1.79 1 222 ARG 0.30 -0.51 1 223 ASP 1.10 0.66 1 225 MET -5.04 -2.34 1 226 VAL 1.59 -3.03 1 228 LEU -3.36 -2.49 1 229 GLU -6.56 -3.87 1 230 PHE -7.09 -0.10 1 231 VAL -3.06 -1.20 1 232 THR -3.77 -2.31 1 233 ALA -1.23 -2.09 1 234 ALA -3.53 -1.68 1 236 ILE -0.83 -0.15 1 stop_ save_