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 bmr26598_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.79 _LACS_plot.Line_1_terminator_val_y_1 -3.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.98 _LACS_plot.Line_2_terminator_val_x_2 9.57 _LACS_plot.Line_2_terminator_val_y_2 6.10 _LACS_plot.Y_axis_chem_shift_offset 0.55 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 39 HIS 9.57 7.52 0 10 SER 1.30 0.80 1 12 ILE 1.70 0.17 1 13 LYS 1.38 0.10 1 14 VAL 1.38 0.08 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 3.61 1.93 1 21 VAL 3.89 1.26 1 22 ARG 0.64 -1.59 1 23 LYS 2.61 0.91 1 24 ARG -0.55 -0.93 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 0.36 -0.83 1 36 THR 7.02 4.97 1 38 LEU 4.19 2.17 1 40 HIS 3.66 3.21 1 41 MET 3.10 3.40 1 42 VAL 5.78 3.52 1 43 PHE 4.81 1.86 1 44 GLU 2.96 1.88 1 45 VAL 5.26 3.38 1 46 VAL 5.07 3.23 1 47 ASP 4.58 3.22 1 48 ASN 3.89 2.42 1 50 ILE 5.70 0.70 1 51 ASP 5.33 3.23 1 52 GLU 1.89 0.08 1 53 ALA 3.82 2.08 1 54 LEU 4.29 2.25 1 55 ALA 1.04 -0.23 1 57 TYR -1.07 0.77 1 59 SER -2.32 -0.62 1 60 GLU -3.48 -0.82 1 61 ILE -4.38 -1.94 1 62 SER -4.37 -2.45 1 63 ILE -2.18 -0.79 1 64 THR -2.10 -1.19 1 65 ILE -0.99 -1.26 1 66 HIS -0.26 0.33 1 67 THR 4.50 2.84 1 68 ASP 0.96 -1.68 1 69 GLU 6.40 0.68 1 70 SER -3.26 -1.71 1 71 ILE -4.95 -5.10 1 72 THR 1.08 0.22 1 73 VAL -2.20 -1.85 1 74 ARG -5.07 -2.10 1 75 ASP -5.48 -2.19 1 76 ASN -0.31 -2.15 1 78 ARG 1.07 2.02 1 82 VAL -1.18 -3.29 1 83 ASP -0.70 -0.88 1 84 ILE 2.30 -0.99 1 85 HIS -0.62 1.33 1 86 LYS 4.57 2.64 1 87 GLU 2.37 1.60 1 88 GLU 0.83 0.19 1 90 VAL -6.63 -4.18 1 91 SER -0.78 0.32 1 92 ALA 5.07 2.20 1 93 ALA 3.00 1.69 1 94 GLU 4.23 2.18 1 95 VAL 7.77 4.75 1 96 ILE 4.15 1.55 1 97 MET 1.64 -0.97 1 98 THR -1.97 -0.41 1 99 VAL 0.84 -0.44 1 100 LEU 2.58 1.32 1 101 HIS 0.64 0.84 1 102 ALA 0.74 0.15 1 105 LYS 0.79 -0.40 1 106 PHE -0.42 -0.71 1 107 ASP -0.78 -0.94 1 108 VAL 2.38 0.57 1 109 ASN 1.40 0.76 1 110 THR 1.25 0.56 1 111 TYR 1.48 0.17 1 112 LYS 0.61 -0.33 1 113 VAL 1.14 0.03 1 114 SER 0.22 -0.13 1 117 LEU 0.31 -0.69 1 118 HIS 0.45 0.74 1 120 VAL 1.79 0.34 1 122 VAL 4.06 2.11 1 123 SER 4.27 1.97 1 124 VAL 6.17 3.46 1 125 VAL 5.13 2.23 1 126 ASN 3.03 1.69 1 127 ALA 3.09 1.79 1 128 LEU 1.06 -1.83 1 129 SER 0.96 0.58 1 130 HIS 1.08 3.10 1 131 GLU -4.96 -1.66 1 132 LEU -1.07 -0.09 1 133 ARG -2.41 -1.20 1 134 LEU -4.67 -2.10 1 135 THR -0.52 -0.26 1 136 ILE -4.86 -1.44 1 137 ARG 0.73 -1.68 1 138 ARG -1.75 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 -7.79 -2.76 1 145 GLN -1.53 1.18 1 147 TYR -6.45 -3.47 1 148 HIS -2.66 -0.60 1 149 HIS 4.25 2.41 1 151 VAL -0.09 -0.54 1 153 GLN 0.55 0.01 1 154 PHE 0.25 -2.00 1 156 LEU 2.81 1.68 1 157 ARG -3.92 -2.37 1 158 GLU -0.15 -1.21 1 159 VAL -1.37 -1.71 1 161 GLU -3.79 -1.95 1 162 THR -0.13 -1.62 1 163 ASP -0.84 -1.00 1 165 SER -4.67 -1.51 1 167 THR 0.08 0.99 1 168 GLU -5.54 -2.40 1 169 VAL -2.97 -1.57 1 170 HIS -4.63 -2.05 1 171 PHE -4.39 -2.51 1 172 LYS -3.21 -2.69 1 174 SER -0.67 -0.27 1 176 GLU 1.84 0.48 1 177 THR 2.17 2.79 1 178 PHE -1.29 -0.76 1 179 SER -1.38 -1.03 1 180 ASN 1.10 -0.09 1 181 ILE 4.03 0.91 1 182 HIS -1.17 -0.91 1 183 PHE 1.28 1.61 1 184 SER -2.52 -2.90 1 185 TRP 5.17 3.89 1 186 ASP 4.14 3.23 1 187 ILE 5.08 3.23 1 188 LEU 4.38 2.85 1 189 ALA 4.24 2.06 1 190 LYS 4.68 3.09 1 191 ARG 2.54 0.45 1 192 ILE 6.76 3.54 1 193 ARG 5.99 3.57 1 194 GLU 3.60 2.18 1 195 LEU 2.84 1.77 1 196 SER 3.88 2.58 1 197 PHE 2.87 1.40 1 198 LEU 0.75 0.26 1 199 ASN -1.11 -1.34 1 200 SER 1.67 1.27 1 202 VAL -1.24 -1.90 1 204 ILE -0.55 -1.26 1 205 LEU -2.92 -1.65 1 206 LEU -3.75 -2.25 1 207 ARG -3.39 -1.77 1 208 ASP -4.12 -2.70 1 209 GLU 1.71 0.99 1 210 ARG 4.71 1.71 1 211 THR -2.44 -1.77 1 213 LYS 0.04 -0.07 1 214 GLU -4.99 -2.10 1 215 GLU -3.57 -0.43 1 216 LEU -1.28 -1.85 1 217 PHE 0.41 -0.84 1 218 LYS -1.62 -0.60 1 219 TYR -1.07 -0.89 1 220 GLU -1.20 -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 bmr26598_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.79 _LACS_plot.Line_1_terminator_val_y_1 4.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.02 _LACS_plot.Line_2_terminator_val_x_2 9.57 _LACS_plot.Line_2_terminator_val_y_2 -3.47 _LACS_plot.Y_axis_chem_shift_offset 0.55 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 39 HIS 9.57 -2.05 0 10 SER 1.30 -0.50 1 12 ILE 1.70 -1.53 1 13 LYS 1.38 -1.28 1 14 VAL 1.38 -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 3.61 -1.68 1 21 VAL 3.89 -2.63 1 22 ARG 0.64 -2.23 1 23 LYS 2.61 -1.70 1 24 ARG -0.55 -0.38 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 0.36 -1.19 1 36 THR 7.02 -2.05 1 38 LEU 4.19 -2.02 1 40 HIS 3.66 -0.45 1 41 MET 3.10 0.30 1 42 VAL 5.78 -2.26 1 43 PHE 4.81 -2.95 1 44 GLU 2.96 -1.08 1 45 VAL 5.26 -1.88 1 46 VAL 5.07 -1.84 1 47 ASP 4.58 -1.36 1 48 ASN 3.89 -1.47 1 50 ILE 5.70 -5.00 1 51 ASP 5.33 -2.10 1 52 GLU 1.89 -1.81 1 53 ALA 3.82 -1.74 1 54 LEU 4.29 -2.04 1 55 ALA 1.04 -1.27 1 57 TYR -1.07 1.84 1 59 SER -2.32 1.70 1 60 GLU -3.48 2.66 1 61 ILE -4.38 2.44 1 62 SER -4.37 1.92 1 63 ILE -2.18 1.39 1 64 THR -2.10 0.91 1 65 ILE -0.99 -0.27 1 66 HIS -0.26 0.59 1 67 THR 4.50 -1.66 1 68 ASP 0.96 -2.64 1 69 GLU 6.40 -5.72 1 70 SER -3.26 1.55 1 71 ILE -4.95 -0.15 1 72 THR 1.08 -0.86 1 73 VAL -2.20 0.35 1 74 ARG -5.07 2.97 1 75 ASP -5.48 3.29 1 76 ASN -0.31 -1.84 1 78 ARG 1.07 0.95 1 82 VAL -1.18 -2.11 1 83 ASP -0.70 -0.18 1 84 ILE 2.30 -3.29 1 85 HIS -0.62 1.95 1 86 LYS 4.57 -1.93 1 87 GLU 2.37 -0.77 1 88 GLU 0.83 -0.64 1 90 VAL -6.63 2.45 1 91 SER -0.78 1.10 1 92 ALA 5.07 -2.87 1 93 ALA 3.00 -1.31 1 94 GLU 4.23 -2.05 1 95 VAL 7.77 -3.02 1 96 ILE 4.15 -2.60 1 97 MET 1.64 -2.61 1 98 THR -1.97 1.56 1 99 VAL 0.84 -1.28 1 100 LEU 2.58 -1.26 1 101 HIS 0.64 0.20 1 102 ALA 0.74 -0.59 1 105 LYS 0.79 -1.19 1 106 PHE -0.42 -0.29 1 107 ASP -0.78 -0.16 1 108 VAL 2.38 -1.81 1 109 ASN 1.40 -0.64 1 110 THR 1.25 -0.69 1 111 TYR 1.48 -1.31 1 112 LYS 0.61 -0.94 1 113 VAL 1.14 -1.11 1 114 SER 0.22 -0.35 1 117 LEU 0.31 -1.00 1 118 HIS 0.45 0.29 1 120 VAL 1.79 -1.45 1 122 VAL 4.06 -1.95 1 123 SER 4.27 -2.30 1 124 VAL 6.17 -2.71 1 125 VAL 5.13 -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 0.96 -0.38 1 130 HIS 1.08 2.02 1 131 GLU -4.96 3.30 1 132 LEU -1.07 0.98 1 133 ARG -2.41 1.21 1 134 LEU -4.67 2.57 1 135 THR -0.52 0.26 1 136 ILE -4.86 3.42 1 137 ARG 0.73 -2.41 1 138 ARG -1.75 1.78 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 -7.79 5.03 1 145 GLN -1.53 2.71 1 147 TYR -6.45 2.98 1 148 HIS -2.66 2.06 1 149 HIS 4.25 -1.84 1 151 VAL -0.09 -0.45 1 153 GLN 0.55 -0.54 1 154 PHE 0.25 -2.25 1 156 LEU 2.81 -1.13 1 157 ARG -3.92 1.55 1 158 GLU -0.15 -1.06 1 159 VAL -1.37 -0.34 1 161 GLU -3.79 1.84 1 162 THR -0.13 -1.49 1 163 ASP -0.84 -0.16 1 165 SER -4.67 3.16 1 167 THR 0.08 0.91 1 168 GLU -5.54 3.14 1 169 VAL -2.97 1.40 1 170 HIS -4.63 2.58 1 171 PHE -4.39 1.88 1 172 LYS -3.21 0.52 1 174 SER -0.67 0.40 1 176 GLU 1.84 -1.36 1 177 THR 2.17 0.62 1 178 PHE -1.29 0.53 1 179 SER -1.38 0.35 1 180 ASN 1.10 -1.19 1 181 ILE 4.03 -3.12 1 182 HIS -1.17 0.26 1 183 PHE 1.28 0.33 1 184 SER -2.52 -0.38 1 185 TRP 5.17 -1.28 1 186 ASP 4.14 -0.91 1 187 ILE 5.08 -1.85 1 188 LEU 4.38 -1.53 1 189 ALA 4.24 -2.18 1 190 LYS 4.68 -1.59 1 191 ARG 2.54 -2.09 1 192 ILE 6.76 -3.22 1 193 ARG 5.99 -2.42 1 194 GLU 3.60 -1.42 1 195 LEU 2.84 -1.07 1 196 SER 3.88 -1.30 1 197 PHE 2.87 -1.47 1 198 LEU 0.75 -0.49 1 199 ASN -1.11 -0.23 1 200 SER 1.67 -0.40 1 202 VAL -1.24 -0.66 1 204 ILE -0.55 -0.71 1 205 LEU -2.92 1.27 1 206 LEU -3.75 1.50 1 207 ARG -3.39 1.62 1 208 ASP -4.12 1.42 1 209 GLU 1.71 -0.72 1 210 ARG 4.71 -3.00 1 211 THR -2.44 0.67 1 213 LYS 0.04 -0.11 1 214 GLU -4.99 2.89 1 215 GLU -3.57 3.14 1 216 LEU -1.28 -0.57 1 217 PHE 0.41 -1.25 1 218 LYS -1.62 1.02 1 219 TYR -1.07 0.18 1 220 GLU -1.20 -0.23 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 bmr26598_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.79 _LACS_plot.Line_1_terminator_val_y_1 -3.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.13 _LACS_plot.Line_2_terminator_val_x_2 9.57 _LACS_plot.Line_2_terminator_val_y_2 3.27 _LACS_plot.Y_axis_chem_shift_offset 0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 226 HIS 1.13 5.21 0 69 GLU 6.40 -3.10 0 10 SER 1.30 0.39 1 12 ILE 1.70 -0.07 1 13 LYS 1.38 0.16 1 14 VAL 1.38 0.13 1 15 LEU 1.06 -0.35 1 16 LYS 0.31 0.91 1 18 LEU 3.49 0.76 1 19 ASP 3.90 1.78 1 20 ALA 3.61 1.86 1 21 VAL 3.89 0.31 1 22 ARG 0.64 2.13 1 23 LYS 2.61 0.70 1 27 MET 2.31 -1.01 1 31 ASP 1.13 3.34 1 32 THR 3.09 -1.11 1 33 ASP -1.38 0.76 1 34 ASP 0.36 1.14 1 36 THR 7.02 2.32 1 38 LEU 4.19 0.36 1 39 HIS 9.57 3.22 1 40 HIS 3.66 3.01 1 41 MET 3.10 0.41 1 42 VAL 5.78 1.90 1 43 PHE 4.81 1.78 1 44 GLU 2.96 1.69 1 45 VAL 5.26 1.92 1 46 VAL 5.07 0.95 1 47 ASP 4.58 2.27 1 48 ASN 3.89 3.85 1 50 ILE 5.70 2.22 1 51 ASP 5.33 2.56 1 52 GLU 1.89 1.97 1 53 ALA 3.82 4.13 1 54 LEU 4.29 1.75 1 55 ALA 1.04 -0.64 1 57 TYR -1.07 -1.72 1 59 SER -2.32 -0.54 1 60 GLU -3.48 -2.39 1 61 ILE -4.38 -1.63 1 62 SER -4.37 -1.53 1 63 ILE -2.18 -2.55 1 64 THR -2.10 -2.36 1 65 ILE -0.99 -1.06 1 66 HIS -0.26 3.24 1 67 THR 4.50 0.07 1 68 ASP 0.96 -0.68 1 70 SER -3.26 -2.40 1 71 ILE -4.95 -0.14 1 72 THR 1.08 0.24 1 73 VAL -2.20 -3.04 1 74 ARG -5.07 -2.38 1 75 ASP -5.48 -1.12 1 76 ASN -0.31 1.58 1 78 ARG 1.07 2.11 1 82 VAL -1.18 -0.56 1 83 ASP -0.70 -0.91 1 84 ILE 2.30 -0.26 1 85 HIS -0.62 2.48 1 86 LYS 4.57 0.98 1 87 GLU 2.37 1.53 1 88 GLU 0.83 1.72 1 90 VAL -6.63 -1.41 1 91 SER -0.78 -0.65 1 92 ALA 5.07 1.29 1 93 ALA 3.00 -1.07 1 94 GLU 4.23 3.96 1 95 VAL 7.77 1.83 1 96 ILE 4.15 0.57 1 97 MET 1.64 2.30 1 98 THR -1.97 -1.32 1 99 VAL 0.84 -0.14 1 100 LEU 2.58 -1.32 1 101 HIS 0.64 1.24 1 102 ALA 0.74 0.35 1 105 LYS 0.79 -0.72 1 106 PHE -0.42 -1.05 1 107 ASP -0.78 0.08 1 108 VAL 2.38 -0.23 1 109 ASN 1.40 0.66 1 110 THR 1.25 -0.16 1 111 TYR 1.48 -0.35 1 112 LYS 0.61 0.02 1 113 VAL 1.14 0.17 1 114 SER 0.22 0.41 1 117 LEU 0.31 -1.45 1 118 HIS 0.45 1.19 1 120 VAL 1.79 0.13 1 122 VAL 4.06 0.20 1 123 SER 4.27 2.37 1 124 VAL 6.17 -0.06 1 125 VAL 5.13 2.44 1 126 ASN 3.03 1.44 1 127 ALA 3.09 -0.29 1 128 LEU 1.06 -2.47 1 129 SER 0.96 0.39 1 130 HIS 1.08 1.00 1 131 GLU -4.96 -3.29 1 132 LEU -1.07 -3.30 1 133 ARG -2.41 -2.78 1 134 LEU -4.67 -3.46 1 135 THR -0.52 -0.82 1 136 ILE -4.86 -2.52 1 137 ARG 0.73 -2.28 1 138 ARG -1.75 0.34 1 139 HIS 2.92 0.72 1 140 ASN 4.91 -0.50 1 142 VAL -0.53 -1.83 1 143 TRP -4.98 -0.40 1 144 GLU -7.79 -0.86 1 145 GLN -1.53 -3.97 1 147 TYR -6.45 -1.31 1 148 HIS -2.66 1.74 1 149 HIS 4.25 1.05 1 153 GLN 0.55 -1.20 1 154 PHE 0.25 -1.87 1 156 LEU 2.81 -0.49 1 157 ARG -3.92 -2.14 1 159 VAL -1.37 -0.39 1 161 GLU -3.79 -1.61 1 162 THR -0.13 -3.56 1 163 ASP -0.84 0.22 1 165 SER -4.67 -1.38 1 167 THR 0.08 -3.02 1 168 GLU -5.54 -2.51 1 169 VAL -2.97 -2.27 1 170 HIS -4.63 0.42 1 171 PHE -4.39 -4.50 1 172 LYS -3.21 -1.18 1 174 SER -0.67 2.39 1 176 GLU 1.84 0.35 1 177 THR 2.17 -1.65 1 178 PHE -1.29 -0.81 1 179 SER -1.38 -1.08 1 180 ASN 1.10 0.35 1 181 ILE 4.03 -2.12 1 182 HIS -1.17 -0.36 1 183 PHE 1.28 1.10 1 184 SER -2.52 1.05 1 185 TRP 5.17 0.08 1 186 ASP 4.14 2.96 1 187 ILE 5.08 2.79 1 188 LEU 4.38 0.12 1 189 ALA 4.24 1.21 1 190 LYS 4.68 2.31 1 191 ARG 2.54 1.83 1 192 ILE 6.76 1.07 1 193 ARG 5.99 2.82 1 194 GLU 3.60 2.56 1 195 LEU 2.84 2.34 1 196 SER 3.88 0.90 1 197 PHE 2.87 1.05 1 198 LEU 0.75 -0.68 1 199 ASN -1.11 -1.75 1 200 SER 1.67 1.00 1 202 VAL -1.24 -1.71 1 204 ILE -0.55 -2.66 1 205 LEU -2.92 -3.63 1 206 LEU -3.75 -3.44 1 207 ARG -3.39 -2.71 1 208 ASP -4.12 1.03 1 209 GLU 1.71 1.36 1 210 ARG 4.71 2.02 1 211 THR -2.44 1.37 1 213 LYS 0.04 -1.90 1 214 GLU -4.99 -1.61 1 215 GLU -3.57 -4.40 1 216 LEU -1.28 -2.12 1 217 PHE 0.41 -2.13 1 218 LYS -1.62 -2.65 1 219 TYR -1.07 -0.70 1 220 GLU -1.20 -0.41 1 223 LEU 0.71 -0.09 1 224 GLU 0.63 -0.34 1 stop_ save_