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 bmr19885_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.07 _LACS_plot.Line_1_terminator_val_y_1 -2.78 _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 -2.38 _LACS_plot.Line_2_terminator_val_x_2 7.73 _LACS_plot.Line_2_terminator_val_y_2 5.17 _LACS_plot.Y_axis_chem_shift_offset 0.84 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 169 ASP 0.19 4.39 0 15 GLU 0.60 0.03 1 16 PHE -1.03 -2.75 1 18 GLU 0.32 -0.10 1 19 ILE 3.00 -0.37 1 21 GLU 4.54 3.10 1 25 LYS 4.98 3.29 1 27 ILE 4.15 3.47 1 28 LYS 4.90 3.00 1 29 ASN 3.67 2.72 1 30 VAL 4.49 1.99 1 31 PHE -0.48 -2.38 1 32 ARG 1.27 0.38 1 33 ASN 1.21 0.50 1 35 ASN 1.48 -0.25 1 36 GLN 3.24 2.34 1 37 ASP -0.08 -0.77 1 38 GLU -0.24 -0.10 1 39 VAL 3.56 1.82 1 40 LEU -1.94 -1.05 1 41 SER -1.16 -0.87 1 42 GLU -3.34 -1.28 1 43 ALA -0.50 -0.62 1 44 PHE 2.19 -1.38 1 45 ARG 6.34 1.67 1 46 LEU -2.97 -1.34 1 47 THR -2.35 -0.97 1 48 ILE -1.86 -4.58 1 49 THR -5.23 -2.09 1 50 ARG 6.05 4.14 1 51 LYS 5.08 3.09 1 52 ASP 3.46 3.17 1 53 ILE 3.03 1.29 1 54 GLN 4.93 2.10 1 55 THR 5.66 3.25 1 56 LEU 0.50 -0.18 1 57 ASN 0.50 -1.21 1 63 ASN -3.46 -2.80 1 64 ASP 3.85 3.28 1 65 GLU 6.47 3.98 1 66 ILE 4.19 0.13 1 68 ASN 4.25 2.97 1 69 PHE 4.81 4.88 1 70 TYR 5.34 4.88 1 71 MET 3.79 1.93 1 72 ASN 4.18 3.19 1 73 MET 5.95 4.55 1 74 LEU 4.98 2.37 1 75 MET 4.48 4.01 1 76 GLU 4.16 2.63 1 77 ARG 4.40 2.25 1 78 SER 2.66 1.96 1 79 LYS 2.00 0.59 1 81 LYS 3.30 1.35 1 83 LEU -0.56 -2.88 1 85 SER -0.75 -0.57 1 86 VAL -6.07 -2.24 1 87 HIS -2.71 1.46 1 88 ALA -5.11 -3.57 1 89 PHE -0.69 -0.26 1 90 ASN -0.60 -0.49 1 91 THR 5.16 3.31 1 92 PHE 0.77 -0.11 1 93 PHE 4.93 3.77 1 94 PHE 6.70 4.75 1 95 THR 5.09 3.95 1 96 LYS 4.69 1.88 1 97 LEU 3.90 1.82 1 98 LYS 4.14 2.16 1 99 THR 2.01 1.85 1 100 ALA -1.70 -0.82 1 102 TYR 4.08 3.47 1 103 GLN 5.45 2.37 1 104 ALA 0.25 0.56 1 105 VAL -2.36 -2.62 1 106 LYS 5.73 3.03 1 107 ARG 3.48 0.97 1 108 TRP 3.43 1.65 1 109 THR 2.50 -1.74 1 110 LYS 4.69 3.08 1 111 LYS 0.64 -1.12 1 112 VAL -3.78 -1.89 1 113 ASP -1.68 -3.48 1 115 PHE 2.93 0.20 1 117 VAL -3.93 -3.78 1 118 ASP 2.33 3.47 1 120 LEU -2.91 -3.19 1 121 LEU -3.26 -1.99 1 122 VAL -2.08 -2.64 1 124 ILE -1.15 -0.15 1 125 HIS -4.40 -4.02 1 126 LEU -0.91 -2.30 1 128 VAL 1.01 -1.11 1 129 HIS -3.72 0.28 1 130 TRP -4.48 -1.59 1 132 LEU -5.18 -1.09 1 133 ALA -4.78 -2.92 1 134 VAL -4.26 -1.75 1 135 VAL -0.48 -1.33 1 136 ASP -3.00 -2.28 1 137 PHE 4.73 4.32 1 138 ARG 3.59 1.30 1 139 LYS -1.58 -1.39 1 140 LYS 4.82 -0.64 1 141 ASN -5.30 -2.08 1 143 THR -1.57 -0.88 1 144 TYR -2.67 -0.67 1 146 ASP -4.49 -1.65 1 147 SER 3.00 2.16 1 148 MET -2.09 -0.50 1 151 ILE -1.03 -1.88 1 152 ASN 0.28 -2.41 1 153 ASN 4.23 2.56 1 154 GLU 4.29 2.61 1 155 ALA 4.46 2.57 1 157 ARG 5.52 3.74 1 158 ILE 5.50 3.67 1 159 LEU 3.15 1.89 1 160 LEU 4.57 2.76 1 162 TYR 5.27 3.36 1 163 LEU 5.30 2.59 1 164 LYS 5.50 3.47 1 165 GLN 5.24 2.68 1 166 GLU 2.70 0.65 1 167 SER 3.73 3.52 1 168 ILE 4.99 2.95 1 177 THR 1.62 -0.19 1 178 ASN 3.77 2.57 1 180 TRP 3.49 1.23 1 181 GLN -4.58 -1.36 1 182 LEU -1.48 -2.31 1 183 PHE -3.81 -1.43 1 184 SER -1.66 -0.72 1 185 LYS 0.72 -1.70 1 186 LYS -0.16 -0.61 1 187 SER 3.76 2.43 1 188 GLN 2.86 0.78 1 189 GLU -1.42 0.19 1 190 ILE -4.53 -3.87 1 192 GLN -5.03 -3.06 1 193 GLN -0.63 -1.83 1 194 MET -0.98 0.10 1 195 ASN -1.54 -1.33 1 197 SER 3.27 0.12 1 198 ASP 1.27 0.98 1 201 MET 3.03 -0.98 1 202 PHE 7.74 5.49 1 203 ALA 6.59 3.33 1 205 LYS 4.88 -0.22 1 206 TYR 2.71 0.18 1 207 ALA 4.52 2.78 1 208 ASP 3.59 3.30 1 210 ILE 3.60 3.09 1 212 LYS 0.35 -0.78 1 213 ASP 3.06 0.83 1 214 ARG -3.80 -4.09 1 216 ILE 4.08 1.01 1 217 ASN 0.09 -0.70 1 218 PHE -4.77 -3.30 1 219 THR -5.33 -1.88 1 220 GLN 3.58 2.29 1 221 GLN 4.24 2.07 1 222 HIS 1.00 4.02 1 223 MET 6.92 3.30 1 225 TYR 3.86 2.00 1 227 ARG 5.01 3.88 1 229 ARG 3.63 3.11 1 230 MET 3.51 2.55 1 231 VAL 6.58 4.53 1 232 TRP 6.26 5.52 1 233 GLU 3.39 3.03 1 234 ILE 6.20 3.96 1 235 LEU 4.04 2.39 1 236 HIS 2.79 0.63 1 237 ARG 5.91 0.95 1 238 LYS -3.36 -1.55 1 239 LEU -0.26 -1.42 1 240 LEU 0.90 0.12 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19885_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.07 _LACS_plot.Line_1_terminator_val_y_1 3.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.38 _LACS_plot.Line_2_terminator_val_x_2 7.73 _LACS_plot.Line_2_terminator_val_y_2 -2.56 _LACS_plot.Y_axis_chem_shift_offset 0.84 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 169 ASP 0.19 4.20 0 15 GLU 0.60 -0.57 1 16 PHE -1.03 -1.72 1 18 GLU 0.32 -0.42 1 19 ILE 3.00 -3.37 1 21 GLU 4.54 -1.44 1 25 LYS 4.98 -1.69 1 27 ILE 4.15 -0.68 1 28 LYS 4.90 -1.90 1 29 ASN 3.67 -0.95 1 30 VAL 4.49 -2.50 1 31 PHE -0.48 -1.90 1 32 ARG 1.27 -0.89 1 33 ASN 1.21 -0.71 1 35 ASN 1.48 -1.73 1 36 GLN 3.24 -0.90 1 37 ASP -0.08 -0.69 1 38 GLU -0.24 0.14 1 39 VAL 3.56 -1.74 1 40 LEU -1.94 0.89 1 41 SER -1.16 0.29 1 42 GLU -3.34 2.06 1 43 ALA -0.50 -0.12 1 44 PHE 2.19 -3.57 1 45 ARG 6.34 -4.67 1 46 LEU -2.97 1.63 1 47 THR -2.35 1.38 1 48 ILE -1.86 -2.72 1 49 THR -5.23 3.14 1 50 ARG 6.05 -1.91 1 51 LYS 5.08 -1.99 1 52 ASP 3.46 -0.29 1 53 ILE 3.03 -1.74 1 54 GLN 4.93 -2.83 1 55 THR 5.66 -2.41 1 56 LEU 0.50 -0.68 1 57 ASN 0.50 -1.71 1 63 ASN -3.46 0.66 1 64 ASP 3.85 -0.57 1 65 GLU 6.47 -2.49 1 66 ILE 4.19 -4.06 1 68 ASN 4.25 -1.28 1 69 PHE 4.81 0.07 1 70 TYR 5.34 -0.46 1 71 MET 3.79 -1.86 1 72 ASN 4.18 -0.99 1 73 MET 5.95 -1.40 1 74 LEU 4.98 -2.61 1 75 MET 4.48 -0.47 1 76 GLU 4.16 -1.53 1 77 ARG 4.40 -2.15 1 78 SER 2.66 -0.70 1 79 LYS 2.00 -1.41 1 81 LYS 3.30 -1.95 1 83 LEU -0.56 -2.32 1 85 SER -0.75 0.18 1 86 VAL -6.07 3.83 1 87 HIS -2.71 4.17 1 88 ALA -5.11 1.54 1 89 PHE -0.69 0.43 1 90 ASN -0.60 0.11 1 91 THR 5.16 -1.85 1 92 PHE 0.77 -0.88 1 93 PHE 4.93 -1.16 1 94 PHE 6.70 -1.95 1 95 THR 5.09 -1.14 1 96 LYS 4.69 -2.81 1 97 LEU 3.90 -2.08 1 98 LYS 4.14 -1.98 1 99 THR 2.01 -0.16 1 100 ALA -1.70 0.88 1 102 TYR 4.08 -0.61 1 103 GLN 5.45 -3.08 1 104 ALA 0.25 0.31 1 105 VAL -2.36 -0.26 1 106 LYS 5.73 -2.70 1 107 ARG 3.48 -2.51 1 108 TRP 3.43 -1.78 1 109 THR 2.50 -4.24 1 110 LYS 4.69 -1.61 1 111 LYS 0.64 -1.76 1 112 VAL -3.78 1.89 1 113 ASP -1.68 -1.80 1 115 PHE 2.93 -2.73 1 117 VAL -3.93 0.15 1 118 ASP 2.33 1.14 1 120 LEU -2.91 -0.28 1 121 LEU -3.26 1.27 1 122 VAL -2.08 -0.56 1 124 ILE -1.15 1.00 1 125 HIS -4.40 0.38 1 126 LEU -0.91 -1.39 1 128 VAL 1.01 -2.12 1 129 HIS -3.72 4.00 1 130 TRP -4.48 2.89 1 132 LEU -5.18 4.09 1 133 ALA -4.78 1.86 1 134 VAL -4.26 2.51 1 135 VAL -0.48 -0.85 1 136 ASP -3.00 0.72 1 137 PHE 4.73 -0.41 1 138 ARG 3.59 -2.29 1 139 LYS -1.58 0.19 1 140 LYS 4.82 -5.46 1 141 ASN -5.30 3.22 1 143 THR -1.57 0.69 1 144 TYR -2.67 2.00 1 146 ASP -4.49 2.84 1 147 SER 3.00 -0.84 1 148 MET -2.09 1.59 1 151 ILE -1.03 -0.85 1 152 ASN 0.28 -2.69 1 153 ASN 4.23 -1.67 1 154 GLU 4.29 -1.68 1 155 ALA 4.46 -1.89 1 157 ARG 5.52 -1.78 1 158 ILE 5.50 -1.83 1 159 LEU 3.15 -1.26 1 160 LEU 4.57 -1.81 1 162 TYR 5.27 -1.91 1 163 LEU 5.30 -2.71 1 164 LYS 5.50 -2.03 1 165 GLN 5.24 -2.56 1 166 GLU 2.70 -2.05 1 167 SER 3.73 -0.21 1 168 ILE 4.99 -2.04 1 177 THR 1.62 -1.81 1 178 ASN 3.77 -1.20 1 180 TRP 3.49 -2.26 1 181 GLN -4.58 3.22 1 182 LEU -1.48 -0.83 1 183 PHE -3.81 2.38 1 184 SER -1.66 0.94 1 185 LYS 0.72 -2.42 1 186 LYS -0.16 -0.45 1 187 SER 3.76 -1.33 1 188 GLN 2.86 -2.08 1 189 GLU -1.42 1.61 1 190 ILE -4.53 0.66 1 192 GLN -5.03 1.97 1 193 GLN -0.63 -1.20 1 194 MET -0.98 1.08 1 195 ASN -1.54 0.21 1 197 SER 3.27 -3.15 1 198 ASP 1.27 -0.29 1 201 MET 3.03 -4.01 1 202 PHE 7.74 -2.25 1 203 ALA 6.59 -3.26 1 205 LYS 4.88 -5.10 1 206 TYR 2.71 -2.53 1 207 ALA 4.52 -1.74 1 208 ASP 3.59 -0.29 1 210 ILE 3.60 -0.51 1 212 LYS 0.35 -1.13 1 213 ASP 3.06 -2.23 1 214 ARG -3.80 -0.29 1 216 ILE 4.08 -3.07 1 217 ASN 0.09 -0.79 1 218 PHE -4.77 1.47 1 219 THR -5.33 3.45 1 220 GLN 3.58 -1.29 1 221 GLN 4.24 -2.17 1 222 HIS 1.00 3.02 1 223 MET 6.92 -3.62 1 225 TYR 3.86 -1.86 1 227 ARG 5.01 -1.13 1 229 ARG 3.63 -0.52 1 230 MET 3.51 -0.96 1 231 VAL 6.58 -2.05 1 232 TRP 6.26 -0.74 1 233 GLU 3.39 -0.36 1 234 ILE 6.20 -2.24 1 235 LEU 4.04 -1.65 1 236 HIS 2.79 -2.16 1 237 ARG 5.91 -4.96 1 238 LYS -3.36 1.81 1 239 LEU -0.26 -1.16 1 240 LEU 0.90 -0.78 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19885_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.07 _LACS_plot.Line_1_terminator_val_y_1 -2.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.58 _LACS_plot.Line_2_terminator_val_x_2 7.73 _LACS_plot.Line_2_terminator_val_y_2 2.42 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 237 ARG 5.91 -1.53 0 240 LEU 0.90 4.48 0 15 GLU 0.60 -0.80 1 16 PHE -1.03 -2.59 1 18 GLU 0.32 -0.49 1 19 ILE 3.00 0.26 1 25 LYS 4.98 2.38 1 27 ILE 4.15 0.40 1 28 LYS 4.90 3.59 1 29 ASN 3.67 3.27 1 30 VAL 4.49 0.11 1 31 PHE -0.48 1.38 1 32 ARG 1.27 -0.20 1 36 GLN 3.24 -0.40 1 37 ASP -0.08 -0.85 1 38 GLU -0.24 -0.69 1 40 LEU -1.94 -0.81 1 41 SER -1.16 -2.60 1 42 GLU -3.34 -2.34 1 43 ALA -0.50 -1.71 1 44 PHE 2.19 -0.01 1 45 ARG 6.34 -0.81 1 46 LEU -2.97 -0.95 1 47 THR -2.35 -1.29 1 48 ILE -1.86 -0.32 1 50 ARG 6.05 1.09 1 51 LYS 5.08 2.03 1 54 GLN 4.93 2.73 1 56 LEU 0.50 2.04 1 63 ASN -3.46 -0.58 1 65 GLU 6.47 3.35 1 66 ILE 4.19 0.64 1 68 ASN 4.25 3.09 1 69 PHE 4.81 1.64 1 70 TYR 5.34 2.25 1 71 MET 3.79 3.07 1 72 ASN 4.18 2.40 1 73 MET 5.95 3.24 1 74 LEU 4.98 3.26 1 75 MET 4.48 2.83 1 77 ARG 4.40 0.12 1 78 SER 2.66 -2.21 1 79 LYS 2.00 1.58 1 81 LYS 3.30 1.32 1 83 LEU -0.56 -2.63 1 85 SER -0.75 0.71 1 86 VAL -6.07 -0.86 1 87 HIS -2.71 -1.41 1 88 ALA -5.11 -2.65 1 90 ASN -0.60 1.84 1 92 PHE 0.77 0.99 1 93 PHE 4.93 -0.18 1 94 PHE 6.70 0.35 1 96 LYS 4.69 0.57 1 98 LYS 4.14 0.94 1 99 THR 2.01 0.66 1 100 ALA -1.70 0.12 1 102 TYR 4.08 1.81 1 103 GLN 5.45 1.32 1 104 ALA 0.25 0.67 1 105 VAL -2.36 2.53 1 106 LYS 5.73 1.40 1 108 TRP 3.43 2.08 1 109 THR 2.50 -0.52 1 110 LYS 4.69 0.67 1 111 LYS 0.64 -1.05 1 112 VAL -3.78 -2.93 1 113 ASP -1.68 1.87 1 115 PHE 2.93 0.70 1 117 VAL -3.93 -1.94 1 125 HIS -4.40 -0.03 1 126 LEU -0.91 -1.28 1 128 VAL 1.01 -0.84 1 129 HIS -3.72 0.40 1 134 VAL -4.26 -1.57 1 138 ARG 3.59 2.77 1 139 LYS -1.58 -1.38 1 140 LYS 4.82 -1.35 1 141 ASN -5.30 -1.34 1 146 ASP -4.49 1.14 1 147 SER 3.00 -0.18 1 148 MET -2.09 2.67 1 151 ILE -1.03 -0.12 1 155 ALA 4.46 1.43 1 157 ARG 5.52 3.16 1 158 ILE 5.50 2.88 1 159 LEU 3.15 0.07 1 164 LYS 5.50 3.56 1 165 GLN 5.24 2.12 1 166 GLU 2.70 1.91 1 168 ILE 4.99 2.50 1 177 THR 1.62 1.67 1 178 ASN 3.77 1.83 1 180 TRP 3.49 1.23 1 181 GLN -4.58 -2.60 1 182 LEU -1.48 -1.53 1 183 PHE -3.81 -1.09 1 184 SER -1.66 -0.08 1 185 LYS 0.72 0.33 1 186 LYS -0.16 2.05 1 187 SER 3.76 0.47 1 188 GLN 2.86 1.12 1 189 GLU -1.42 -0.41 1 192 GLN -5.03 1.00 1 193 GLN -0.63 -0.32 1 194 MET -0.98 -0.41 1 198 ASP 1.27 2.24 1 201 MET 3.03 2.53 1 202 PHE 7.74 0.13 1 203 ALA 6.59 1.91 1 205 LYS 4.88 4.30 1 206 TYR 2.71 2.04 1 207 ALA 4.52 1.50 1 208 ASP 3.59 0.78 1 210 ILE 3.60 4.13 1 212 LYS 0.35 -1.09 1 213 ASP 3.06 -1.42 1 214 ARG -3.80 -2.66 1 216 ILE 4.08 0.62 1 218 PHE -4.77 -2.36 1 220 GLN 3.58 1.82 1 221 GLN 4.24 1.12 1 222 HIS 1.00 1.09 1 223 MET 6.92 -0.82 1 225 TYR 3.86 0.40 1 227 ARG 5.01 0.82 1 231 VAL 6.58 0.48 1 232 TRP 6.26 1.89 1 233 GLU 3.39 2.95 1 234 ILE 6.20 2.39 1 238 LYS -3.36 -3.71 1 239 LEU -0.26 -0.01 1 stop_ save_