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 bmr26597_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.76 _LACS_plot.Line_1_terminator_val_y_1 -3.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.93 _LACS_plot.Line_2_terminator_val_x_2 9.68 _LACS_plot.Line_2_terminator_val_y_2 6.20 _LACS_plot.Y_axis_chem_shift_offset 0.51 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 39 HIS 9.68 7.63 0 10 SER 1.24 0.74 1 12 ILE 1.67 0.14 1 13 LYS 1.38 0.10 1 14 VAL 1.28 -0.02 1 15 LEU 1.06 -0.31 1 16 LYS 0.31 -0.25 1 18 LEU 3.49 1.03 1 19 ASP 3.90 2.77 1 20 ALA 3.63 1.95 1 21 VAL 5.99 3.66 1 27 MET 2.31 0.96 1 31 ASP 1.13 1.92 1 32 THR 3.09 1.36 1 33 ASP -1.38 0.79 1 34 ASP 0.31 -0.88 1 38 LEU 4.20 2.18 1 40 HIS 3.77 3.32 1 41 MET 3.34 3.40 1 42 VAL 5.89 3.47 1 43 PHE 4.51 1.42 1 44 GLU 3.02 1.94 1 45 VAL 5.63 3.75 1 46 VAL 6.21 3.88 1 47 ASP 4.06 3.06 1 48 ASN 4.34 3.38 1 50 ILE 5.87 0.87 1 51 ASP 5.53 3.61 1 52 GLU 1.92 1.21 1 53 ALA 4.01 2.27 1 54 LEU 4.11 2.07 1 55 ALA 0.48 -0.30 1 57 TYR -0.90 0.56 1 59 SER -2.35 -0.57 1 60 GLU -3.58 -0.82 1 61 ILE -4.63 -1.91 1 62 SER -4.47 -2.61 1 63 ILE -2.09 -0.88 1 64 THR -2.01 -1.19 1 65 ILE -1.04 -1.31 1 66 HIS -0.26 0.33 1 67 THR 4.50 2.84 1 68 ASP 0.89 -1.68 1 69 GLU 6.40 0.68 1 70 SER -3.35 -1.71 1 71 ILE -4.95 -5.10 1 72 THR 0.97 0.11 1 73 VAL -1.81 -1.65 1 74 ARG -4.59 -2.01 1 75 ASP -5.90 -2.19 1 76 ASN -0.46 -2.30 1 78 ARG 1.42 1.28 1 82 VAL -0.95 -3.06 1 83 ASP -0.70 -0.88 1 84 ILE 2.51 -0.78 1 85 HIS -0.79 1.16 1 86 LYS 4.57 2.64 1 87 GLU 2.37 1.60 1 88 GLU 0.88 0.24 1 90 VAL -5.45 -4.00 1 91 SER -0.82 0.28 1 92 ALA 4.97 2.10 1 93 ALA 3.30 1.99 1 94 GLU 4.22 2.17 1 95 VAL 7.57 4.55 1 96 ILE 3.85 1.25 1 97 MET 1.57 -1.04 1 98 THR -1.83 -0.27 1 99 VAL 0.98 -0.30 1 100 LEU 1.61 0.67 1 101 HIS 0.14 0.81 1 102 ALA 0.85 -0.11 1 105 LYS 0.75 -0.44 1 106 PHE -0.38 -0.67 1 107 ASP -0.91 -1.07 1 108 VAL 2.38 0.57 1 109 ASN 1.35 0.71 1 110 THR 1.25 0.56 1 111 TYR 1.27 0.17 1 112 LYS 0.58 -0.36 1 113 VAL 1.14 0.03 1 114 SER 0.22 -0.13 1 117 LEU 0.44 -0.56 1 118 HIS 0.90 0.89 1 122 VAL 4.06 2.11 1 123 SER 4.19 1.89 1 124 VAL 6.17 3.46 1 125 VAL 5.20 2.30 1 126 ASN 3.03 1.69 1 127 ALA 3.09 1.79 1 128 LEU 1.06 -1.83 1 129 SER 0.82 0.58 1 130 HIS 1.08 3.10 1 131 GLU -4.96 -1.66 1 132 LEU -1.01 -0.03 1 133 ARG -2.39 -1.18 1 134 LEU -4.63 -2.06 1 135 THR -0.52 -0.26 1 136 ILE -5.00 -1.58 1 137 ARG 0.73 -1.68 1 138 ARG -1.57 0.03 1 139 HIS 2.92 1.01 1 140 ASN 4.91 2.53 1 142 VAL -0.53 -1.97 1 143 TRP -4.98 -3.31 1 144 GLU -7.76 -2.73 1 145 GLN -1.53 1.18 1 147 TYR -6.33 -3.35 1 148 HIS -2.84 -0.65 1 149 HIS 4.25 2.41 1 151 VAL -0.12 -0.57 1 153 GLN 0.47 -0.07 1 154 PHE 0.28 -1.97 1 156 LEU 3.22 1.68 1 157 ARG -3.92 -2.37 1 158 GLU -0.18 -1.23 1 159 VAL -1.29 -1.63 1 161 GLU -3.54 -1.89 1 162 THR -0.19 -1.68 1 163 ASP -0.60 -1.00 1 165 SER -4.27 -1.36 1 167 THR 0.63 0.85 1 168 GLU -4.85 -2.19 1 169 VAL -2.33 -1.55 1 170 HIS -4.63 -2.05 1 171 PHE -4.27 -2.51 1 172 LYS -3.04 -2.69 1 174 SER -0.57 -0.27 1 176 GLU 1.75 0.48 1 177 THR 2.13 2.75 1 178 PHE -1.32 -0.79 1 179 SER -1.38 -1.03 1 180 ASN 1.10 -0.09 1 181 ILE 3.99 0.87 1 182 HIS -1.20 -0.94 1 183 PHE 1.28 1.61 1 184 SER -2.46 -2.84 1 185 TRP 5.12 3.84 1 186 ASP 4.14 3.23 1 187 ILE 5.08 3.23 1 188 LEU 4.33 2.80 1 189 ALA 4.11 2.06 1 190 LYS 4.68 3.09 1 191 ARG 2.54 0.45 1 192 ILE 6.62 3.40 1 193 ARG 5.99 3.57 1 194 GLU 3.49 2.07 1 195 LEU 2.88 1.81 1 196 SER 3.99 2.69 1 197 PHE 2.94 1.47 1 198 LEU 0.80 0.31 1 199 ASN -1.19 -1.42 1 200 SER 1.80 1.27 1 202 VAL -1.20 -1.86 1 204 ILE -0.65 -1.36 1 205 LEU -3.18 -1.77 1 206 LEU -3.75 -2.25 1 207 ARG -3.30 -1.77 1 208 ASP -4.12 -2.70 1 209 GLU 1.63 0.99 1 210 ARG 4.56 1.71 1 211 THR -2.43 -1.81 1 213 LYS 0.04 -0.07 1 214 GLU -5.02 -2.13 1 215 GLU -3.57 -0.43 1 216 LEU -1.41 -1.85 1 217 PHE 0.41 -0.84 1 218 LYS -1.62 -0.60 1 219 TYR -1.14 -0.96 1 220 GLU -1.29 -1.43 1 223 LEU 0.71 -0.34 1 224 GLU 0.63 -0.27 1 226 HIS 1.13 2.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26597_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.76 _LACS_plot.Line_1_terminator_val_y_1 4.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.07 _LACS_plot.Line_2_terminator_val_x_2 9.68 _LACS_plot.Line_2_terminator_val_y_2 -3.48 _LACS_plot.Y_axis_chem_shift_offset 0.51 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 39 HIS 9.68 -2.05 0 10 SER 1.24 -0.50 1 12 ILE 1.67 -1.53 1 13 LYS 1.38 -1.28 1 14 VAL 1.28 -1.30 1 15 LEU 1.06 -1.37 1 16 LYS 0.31 -0.56 1 18 LEU 3.49 -2.46 1 19 ASP 3.90 -1.13 1 20 ALA 3.63 -1.68 1 21 VAL 5.99 -2.33 1 27 MET 2.31 -1.35 1 31 ASP 1.13 0.79 1 32 THR 3.09 -1.73 1 33 ASP -1.38 2.17 1 34 ASP 0.31 -1.19 1 38 LEU 4.20 -2.02 1 40 HIS 3.77 -0.45 1 41 MET 3.34 0.06 1 42 VAL 5.89 -2.42 1 43 PHE 4.51 -3.09 1 44 GLU 3.02 -1.08 1 45 VAL 5.63 -1.88 1 46 VAL 6.21 -2.33 1 47 ASP 4.06 -1.00 1 48 ASN 4.34 -0.96 1 50 ILE 5.87 -5.00 1 51 ASP 5.53 -1.92 1 52 GLU 1.92 -0.71 1 53 ALA 4.01 -1.74 1 54 LEU 4.11 -2.04 1 55 ALA 0.48 -0.78 1 57 TYR -0.90 1.46 1 59 SER -2.35 1.78 1 60 GLU -3.58 2.76 1 61 ILE -4.63 2.72 1 62 SER -4.47 1.86 1 63 ILE -2.09 1.21 1 64 THR -2.01 0.82 1 65 ILE -1.04 -0.27 1 66 HIS -0.26 0.59 1 67 THR 4.50 -1.66 1 68 ASP 0.89 -2.57 1 69 GLU 6.40 -5.72 1 70 SER -3.35 1.64 1 71 ILE -4.95 -0.15 1 72 THR 0.97 -0.86 1 73 VAL -1.81 0.16 1 74 ARG -4.59 2.58 1 75 ASP -5.90 3.71 1 76 ASN -0.46 -1.84 1 78 ARG 1.42 -0.14 1 82 VAL -0.95 -2.11 1 83 ASP -0.70 -0.18 1 84 ILE 2.51 -3.29 1 85 HIS -0.79 1.95 1 86 LYS 4.57 -1.93 1 87 GLU 2.37 -0.77 1 88 GLU 0.88 -0.64 1 90 VAL -5.45 1.45 1 91 SER -0.82 1.10 1 92 ALA 4.97 -2.87 1 93 ALA 3.30 -1.31 1 94 GLU 4.22 -2.05 1 95 VAL 7.57 -3.02 1 96 ILE 3.85 -2.60 1 97 MET 1.57 -2.61 1 98 THR -1.83 1.56 1 99 VAL 0.98 -1.28 1 100 LEU 1.61 -0.94 1 101 HIS 0.14 0.67 1 102 ALA 0.85 -0.96 1 105 LYS 0.75 -1.19 1 106 PHE -0.38 -0.29 1 107 ASP -0.91 -0.16 1 108 VAL 2.38 -1.81 1 109 ASN 1.35 -0.64 1 110 THR 1.25 -0.69 1 111 TYR 1.27 -1.10 1 112 LYS 0.58 -0.94 1 113 VAL 1.14 -1.11 1 114 SER 0.22 -0.35 1 117 LEU 0.44 -1.00 1 118 HIS 0.90 -0.01 1 122 VAL 4.06 -1.95 1 123 SER 4.19 -2.30 1 124 VAL 6.17 -2.71 1 125 VAL 5.20 -2.90 1 126 ASN 3.03 -1.34 1 127 ALA 3.09 -1.30 1 128 LEU 1.06 -2.89 1 129 SER 0.82 -0.24 1 130 HIS 1.08 2.02 1 131 GLU -4.96 3.30 1 132 LEU -1.01 0.98 1 133 ARG -2.39 1.21 1 134 LEU -4.63 2.57 1 135 THR -0.52 0.26 1 136 ILE -5.00 3.42 1 137 ARG 0.73 -2.41 1 138 ARG -1.57 1.60 1 139 HIS 2.92 -1.91 1 140 ASN 4.91 -2.38 1 142 VAL -0.53 -1.44 1 143 TRP -4.98 1.67 1 144 GLU -7.76 5.03 1 145 GLN -1.53 2.71 1 147 TYR -6.33 2.98 1 148 HIS -2.84 2.19 1 149 HIS 4.25 -1.84 1 151 VAL -0.12 -0.45 1 153 GLN 0.47 -0.54 1 154 PHE 0.28 -2.25 1 156 LEU 3.22 -1.54 1 157 ARG -3.92 1.55 1 158 GLU -0.18 -1.05 1 159 VAL -1.29 -0.34 1 161 GLU -3.54 1.65 1 162 THR -0.19 -1.49 1 163 ASP -0.60 -0.40 1 165 SER -4.27 2.91 1 167 THR 0.63 0.22 1 168 GLU -4.85 2.66 1 169 VAL -2.33 0.78 1 170 HIS -4.63 2.58 1 171 PHE -4.27 1.76 1 172 LYS -3.04 0.35 1 174 SER -0.57 0.30 1 176 GLU 1.75 -1.27 1 177 THR 2.13 0.62 1 178 PHE -1.32 0.53 1 179 SER -1.38 0.35 1 180 ASN 1.10 -1.19 1 181 ILE 3.99 -3.12 1 182 HIS -1.20 0.26 1 183 PHE 1.28 0.33 1 184 SER -2.46 -0.38 1 185 TRP 5.12 -1.28 1 186 ASP 4.14 -0.91 1 187 ILE 5.08 -1.85 1 188 LEU 4.33 -1.53 1 189 ALA 4.11 -2.05 1 190 LYS 4.68 -1.59 1 191 ARG 2.54 -2.09 1 192 ILE 6.62 -3.22 1 193 ARG 5.99 -2.42 1 194 GLU 3.49 -1.42 1 195 LEU 2.88 -1.07 1 196 SER 3.99 -1.30 1 197 PHE 2.94 -1.47 1 198 LEU 0.80 -0.49 1 199 ASN -1.19 -0.23 1 200 SER 1.80 -0.53 1 202 VAL -1.20 -0.66 1 204 ILE -0.65 -0.71 1 205 LEU -3.18 1.41 1 206 LEU -3.75 1.50 1 207 ARG -3.30 1.53 1 208 ASP -4.12 1.42 1 209 GLU 1.63 -0.64 1 210 ARG 4.56 -2.85 1 211 THR -2.43 0.62 1 213 LYS 0.04 -0.11 1 214 GLU -5.02 2.89 1 215 GLU -3.57 3.14 1 216 LEU -1.41 -0.44 1 217 PHE 0.41 -1.25 1 218 LYS -1.62 1.02 1 219 TYR -1.14 0.18 1 220 GLU -1.29 -0.14 1 223 LEU 0.71 -1.05 1 224 GLU 0.63 -0.90 1 226 HIS 1.13 0.87 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26597_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.76 _LACS_plot.Line_1_terminator_val_y_1 -3.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.11 _LACS_plot.Line_2_terminator_val_x_2 9.68 _LACS_plot.Line_2_terminator_val_y_2 3.39 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 127 ALA 3.09 -4.24 0 226 HIS 1.13 5.21 0 69 GLU 6.40 -3.06 0 10 SER 1.24 0.34 1 12 ILE 1.67 -0.07 1 13 LYS 1.38 0.16 1 14 VAL 1.28 0.04 1 15 LEU 1.06 -0.39 1 16 LYS 0.31 0.91 1 18 LEU 3.49 0.78 1 19 ASP 3.90 1.78 1 20 ALA 3.63 1.86 1 21 VAL 5.99 1.74 1 27 MET 2.31 1.87 1 31 ASP 1.13 3.34 1 32 THR 3.09 -1.06 1 33 ASP -1.38 0.76 1 34 ASP 0.31 1.14 1 38 LEU 4.20 0.50 1 39 HIS 9.68 3.25 1 40 HIS 3.77 3.05 1 41 MET 3.34 0.60 1 42 VAL 5.89 1.85 1 43 PHE 4.51 2.12 1 44 GLU 3.02 2.13 1 45 VAL 5.63 2.67 1 46 VAL 6.21 0.99 1 47 ASP 4.06 1.96 1 48 ASN 4.34 2.61 1 50 ILE 5.87 1.83 1 51 ASP 5.53 3.33 1 52 GLU 1.92 2.26 1 53 ALA 4.01 3.85 1 54 LEU 4.11 1.57 1 55 ALA 0.48 -0.59 1 57 TYR -0.90 -1.80 1 59 SER -2.35 -0.48 1 60 GLU -3.58 -2.33 1 61 ILE -4.63 -1.82 1 62 SER -4.47 -1.46 1 63 ILE -2.09 -2.55 1 64 THR -2.01 -2.30 1 65 ILE -1.04 -1.06 1 66 HIS -0.26 3.24 1 67 THR 4.50 0.07 1 68 ASP 0.89 -0.59 1 70 SER -3.35 -2.40 1 71 ILE -4.95 -0.10 1 72 THR 0.97 0.35 1 73 VAL -1.81 -2.28 1 74 ARG -4.59 -2.62 1 75 ASP -5.90 -1.36 1 76 ASN -0.46 1.77 1 78 ARG 1.42 2.11 1 82 VAL -0.95 -0.48 1 83 ASP -0.70 -0.87 1 84 ILE 2.51 -0.19 1 85 HIS -0.79 2.41 1 86 LYS 4.57 0.98 1 87 GLU 2.37 1.45 1 88 GLU 0.88 1.70 1 90 VAL -5.45 -1.39 1 91 SER -0.82 -0.90 1 92 ALA 4.97 1.80 1 93 ALA 3.30 -0.77 1 94 GLU 4.22 3.82 1 95 VAL 7.57 1.51 1 96 ILE 3.85 0.57 1 97 MET 1.57 2.32 1 98 THR -1.83 -1.32 1 99 VAL 0.98 -2.20 1 100 LEU 1.61 -1.29 1 101 HIS 0.14 1.24 1 102 ALA 0.85 0.33 1 105 LYS 0.75 -0.68 1 106 PHE -0.38 -1.08 1 107 ASP -0.91 0.03 1 108 VAL 2.38 -0.18 1 109 ASN 1.35 0.69 1 110 THR 1.25 -0.23 1 111 TYR 1.27 -0.25 1 112 LYS 0.58 0.06 1 113 VAL 1.14 0.17 1 114 SER 0.22 0.41 1 117 LEU 0.44 -0.46 1 118 HIS 0.90 1.39 1 122 VAL 4.06 0.35 1 123 SER 4.19 2.28 1 124 VAL 6.17 0.00 1 125 VAL 5.20 2.53 1 126 ASN 3.03 1.35 1 128 LEU 1.06 -2.47 1 129 SER 0.82 0.39 1 130 HIS 1.08 1.00 1 131 GLU -4.96 -3.29 1 132 LEU -1.01 -3.28 1 133 ARG -2.39 -2.78 1 134 LEU -4.63 -3.36 1 135 THR -0.52 -0.82 1 136 ILE -5.00 -2.28 1 137 ARG 0.73 -2.08 1 138 ARG -1.57 0.23 1 139 HIS 2.92 0.70 1 140 ASN 4.91 -0.50 1 142 VAL -0.53 -1.81 1 143 TRP -4.98 -0.40 1 144 GLU -7.76 -0.86 1 145 GLN -1.53 -4.02 1 147 TYR -6.33 -1.34 1 148 HIS -2.84 1.74 1 149 HIS 4.25 1.11 1 153 GLN 0.47 -1.10 1 154 PHE 0.28 -1.87 1 156 LEU 3.22 -0.58 1 157 ARG -3.92 -2.05 1 158 GLU -0.18 1.06 1 159 VAL -1.29 -0.36 1 161 GLU -3.54 -1.52 1 162 THR -0.19 -3.60 1 163 ASP -0.60 0.44 1 165 SER -4.27 -1.38 1 167 THR 0.63 -2.24 1 168 GLU -4.85 -2.89 1 169 VAL -2.33 -2.06 1 170 HIS -4.63 0.40 1 171 PHE -4.27 -4.50 1 172 LYS -3.04 -1.18 1 176 GLU 1.75 0.41 1 177 THR 2.13 -1.65 1 178 PHE -1.32 -0.78 1 179 SER -1.38 -1.08 1 180 ASN 1.10 0.35 1 181 ILE 3.99 -2.11 1 182 HIS -1.20 -0.36 1 183 PHE 1.28 1.10 1 184 SER -2.46 1.09 1 185 TRP 5.12 0.11 1 186 ASP 4.14 2.92 1 187 ILE 5.08 2.79 1 188 LEU 4.33 0.14 1 189 ALA 4.11 1.21 1 190 LYS 4.68 2.23 1 191 ARG 2.54 1.87 1 192 ILE 6.62 1.02 1 193 ARG 5.99 2.86 1 194 GLU 3.49 2.52 1 195 LEU 2.88 2.48 1 196 SER 3.99 1.05 1 197 PHE 2.94 1.18 1 198 LEU 0.80 -0.62 1 199 ASN -1.19 -1.78 1 200 SER 1.80 1.16 1 202 VAL -1.20 -1.52 1 204 ILE -0.65 -2.60 1 205 LEU -3.18 -3.54 1 206 LEU -3.75 -3.47 1 207 ARG -3.30 -2.72 1 208 ASP -4.12 1.03 1 209 GLU 1.63 1.40 1 210 ARG 4.56 2.06 1 211 THR -2.43 1.45 1 213 LYS 0.04 -1.90 1 214 GLU -5.02 -1.55 1 215 GLU -3.57 -4.40 1 216 LEU -1.41 -2.12 1 217 PHE 0.41 -2.22 1 218 LYS -1.62 -2.62 1 219 TYR -1.14 -0.70 1 220 GLU -1.29 -0.45 1 223 LEU 0.71 -0.09 1 224 GLU 0.63 -0.34 1 stop_ save_