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 bmr15514_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.28 _LACS_plot.Line_1_terminator_val_y_1 -3.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.17 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 4.06 _LACS_plot.Y_axis_chem_shift_offset 0.73 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 91 HIS 6.01 6.34 0 210 HIS -4.50 2.34 0 12 ALA 0.18 -0.55 1 14 GLU 0.43 -0.38 1 15 LEU 0.65 -0.51 1 16 LEU 0.67 -0.32 1 20 SER -2.39 -1.03 1 21 VAL -3.16 -2.04 1 22 PHE -5.25 -2.03 1 23 LEU -4.81 -2.17 1 24 PHE -1.65 -1.22 1 29 LYS 4.86 3.85 1 30 ASP 3.44 1.83 1 31 THR 2.31 1.40 1 32 LEU -0.67 -0.57 1 33 MET -2.03 -1.47 1 34 ILE 2.54 0.82 1 35 SER 1.06 -0.30 1 36 ARG -1.93 -1.32 1 37 THR -1.08 -1.14 1 39 GLU -2.55 -2.98 1 40 VAL -1.44 -1.91 1 41 THR -0.29 0.12 1 43 VAL -2.57 -1.10 1 44 VAL -2.11 -2.69 1 46 ASP -6.03 -3.63 1 47 VAL -2.63 -1.51 1 48 SER -2.34 -1.89 1 55 LYS -2.59 -1.99 1 56 PHE -2.51 -1.08 1 57 ASN -3.57 0.25 1 58 TRP -6.41 -2.04 1 59 TYR -4.78 -2.64 1 60 VAL -0.85 -1.44 1 61 ASP 2.61 0.93 1 63 VAL -0.08 -0.70 1 64 GLU 1.88 0.10 1 65 VAL -3.97 -3.12 1 66 HIS 0.22 0.79 1 67 ASN 1.64 -0.43 1 68 ALA -0.77 -0.14 1 69 LYS -2.29 -1.56 1 70 THR 0.83 0.03 1 71 LYS 0.87 -1.64 1 73 ARG -3.06 0.00 1 74 GLU -4.45 -2.43 1 75 GLU 0.61 0.16 1 76 GLN -2.86 -1.64 1 77 TYR 2.98 1.16 1 78 ASN 1.37 -1.22 1 79 SER 3.93 1.24 1 84 VAL -2.88 -1.45 1 85 SER -0.99 -2.60 1 86 VAL -3.26 -2.12 1 87 LEU -2.69 -2.81 1 88 THR 2.69 1.17 1 89 VAL -3.85 -3.74 1 90 LEU 1.50 -0.92 1 92 GLN 3.66 1.93 1 93 ASP 3.81 2.77 1 94 TRP -4.56 -6.08 1 95 LEU 4.35 2.03 1 96 ASN 0.91 -0.28 1 98 LYS 3.58 1.82 1 99 GLU -3.02 -1.58 1 100 TYR -1.17 -0.08 1 101 LYS -5.14 -2.54 1 103 LYS -3.31 -2.45 1 104 VAL -1.95 -0.83 1 108 ALA -0.55 -2.33 1 111 ALA -2.21 -1.27 1 113 ILE -2.10 -1.20 1 114 GLU -5.29 -2.85 1 115 LYS -5.57 -2.70 1 116 THR -3.49 -1.97 1 117 ILE -4.43 -1.30 1 118 SER -3.01 -1.28 1 119 LYS 2.42 -0.08 1 120 ALA 1.12 0.44 1 121 LYS -0.45 -0.56 1 123 GLN 0.07 -0.19 1 125 ARG -3.94 -1.20 1 126 GLU -5.14 -0.72 1 128 GLN -1.95 -1.88 1 129 VAL -0.95 -1.44 1 130 TYR -4.98 -2.86 1 131 THR -2.94 -3.58 1 132 LEU -2.57 -2.21 1 135 SER -0.37 -1.30 1 136 ARG 5.00 2.95 1 137 ASP 2.71 1.85 1 138 GLU -1.24 -1.03 1 139 LEU 3.45 0.95 1 140 THR 1.54 0.16 1 141 LYS -1.27 -2.47 1 142 ASN 2.05 1.18 1 143 GLN -3.09 -1.36 1 144 VAL -5.53 -4.61 1 145 SER 1.43 -1.17 1 146 LEU 0.27 -1.93 1 147 THR 0.22 0.64 1 149 LEU -0.76 -1.73 1 150 VAL -0.72 -2.27 1 151 LYS -4.40 -2.11 1 153 PHE -5.18 -3.80 1 154 TYR -0.79 2.89 1 156 SER 4.40 1.46 1 157 ASP 0.91 0.24 1 158 ILE -2.73 -1.10 1 159 ALA -4.23 -1.93 1 160 VAL -2.61 -1.57 1 161 GLU -5.71 -2.36 1 162 TRP -5.94 -2.22 1 163 GLU -5.58 -1.83 1 164 SER -0.87 -0.67 1 165 ASN 2.71 0.73 1 167 GLN -2.36 -1.92 1 169 GLU -3.36 -2.03 1 172 TYR -7.28 -3.68 1 173 LYS -7.28 -2.38 1 174 THR -1.73 -1.35 1 175 THR 3.23 1.46 1 178 VAL -1.79 -1.84 1 179 LEU 1.38 0.28 1 180 ASP -5.07 -3.16 1 181 SER 3.00 1.68 1 182 ASP -0.75 -2.05 1 184 SER -2.13 -1.66 1 185 PHE -3.27 -0.77 1 186 PHE -5.10 -2.39 1 187 LEU -2.09 -0.68 1 188 TYR -7.21 -1.57 1 189 SER -2.30 -1.66 1 190 LYS -1.56 -1.30 1 191 LEU 0.83 -1.97 1 192 THR 1.25 -0.08 1 193 VAL -7.06 -4.52 1 194 ASP 1.38 0.86 1 195 LYS 6.59 4.00 1 197 ARG 3.22 2.75 1 198 TRP 0.50 1.33 1 199 GLN 2.99 1.91 1 200 GLN 1.52 0.27 1 202 ASN 0.56 1.03 1 203 VAL 0.62 -0.60 1 204 PHE -3.15 -0.82 1 205 SER -1.84 -1.30 1 207 SER -1.65 -1.78 1 208 VAL -3.84 -2.20 1 209 MET -4.52 -1.46 1 211 GLU 2.62 1.88 1 212 ALA 0.19 -0.76 1 213 LEU -2.80 -1.72 1 214 HIS 4.01 2.25 1 216 HIS 1.33 -0.60 1 217 TYR -3.49 -0.06 1 218 THR -0.31 -1.12 1 219 GLN -4.82 -2.04 1 220 LYS -5.50 -2.81 1 221 SER -2.21 -0.61 1 222 LEU -1.83 0.11 1 223 SER -2.64 -0.85 1 224 LEU 1.65 0.17 1 225 SER 6.90 2.68 1 228 LYS 1.10 0.79 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15514_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.28 _LACS_plot.Line_1_terminator_val_y_1 4.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.17 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 -2.84 _LACS_plot.Y_axis_chem_shift_offset 0.73 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 91 HIS 6.01 0.33 0 210 HIS -4.50 6.84 0 12 ALA 0.18 -0.73 1 14 GLU 0.43 -0.81 1 15 LEU 0.65 -1.16 1 16 LEU 0.67 -0.99 1 20 SER -2.39 1.36 1 21 VAL -3.16 1.12 1 22 PHE -5.25 3.22 1 23 LEU -4.81 2.64 1 24 PHE -1.65 0.43 1 29 LYS 4.86 -1.01 1 30 ASP 3.44 -1.61 1 31 THR 2.31 -0.91 1 32 LEU -0.67 0.10 1 33 MET -2.03 0.56 1 34 ILE 2.54 -1.72 1 35 SER 1.06 -1.36 1 36 ARG -1.93 0.61 1 37 THR -1.08 -0.06 1 39 GLU -2.55 -0.43 1 40 VAL -1.44 -0.47 1 41 THR -0.29 0.41 1 43 VAL -2.57 1.47 1 44 VAL -2.11 -0.58 1 46 ASP -6.03 2.40 1 47 VAL -2.63 1.12 1 48 SER -2.34 0.45 1 55 LYS -2.59 0.60 1 56 PHE -2.51 1.43 1 57 ASN -3.57 3.82 1 58 TRP -6.41 4.37 1 59 TYR -4.78 2.14 1 60 VAL -0.85 -0.59 1 61 ASP 2.61 -1.68 1 63 VAL -0.08 -0.62 1 64 GLU 1.88 -1.78 1 65 VAL -3.97 0.85 1 66 HIS 0.22 0.57 1 67 ASN 1.64 -2.07 1 68 ALA -0.77 0.63 1 69 LYS -2.29 0.73 1 70 THR 0.83 -0.80 1 71 LYS 0.87 -2.51 1 73 ARG -3.06 3.06 1 74 GLU -4.45 2.02 1 75 GLU 0.61 -0.45 1 76 GLN -2.86 1.22 1 77 TYR 2.98 -1.82 1 78 ASN 1.37 -2.59 1 79 SER 3.93 -2.69 1 84 VAL -2.88 1.43 1 85 SER -0.99 -1.61 1 86 VAL -3.26 1.14 1 87 LEU -2.69 -0.12 1 88 THR 2.69 -1.52 1 89 VAL -3.85 0.11 1 90 LEU 1.50 -2.42 1 92 GLN 3.66 -1.73 1 93 ASP 3.81 -1.04 1 94 TRP -4.56 -1.52 1 95 LEU 4.35 -2.32 1 96 ASN 0.91 -1.19 1 98 LYS 3.58 -1.76 1 99 GLU -3.02 1.44 1 100 TYR -1.17 1.09 1 101 LYS -5.14 2.60 1 103 LYS -3.31 0.86 1 104 VAL -1.95 1.12 1 108 ALA -0.55 -1.78 1 111 ALA -2.21 0.94 1 113 ILE -2.10 0.90 1 114 GLU -5.29 2.44 1 115 LYS -5.57 2.87 1 116 THR -3.49 1.52 1 117 ILE -4.43 3.13 1 118 SER -3.01 1.73 1 119 LYS 2.42 -2.50 1 120 ALA 1.12 -0.68 1 121 LYS -0.45 -0.11 1 123 GLN 0.07 -0.26 1 125 ARG -3.94 2.74 1 126 GLU -5.14 4.42 1 128 GLN -1.95 0.07 1 129 VAL -0.95 -0.49 1 130 TYR -4.98 2.12 1 131 THR -2.94 -0.64 1 132 LEU -2.57 0.36 1 135 SER -0.37 -0.93 1 136 ARG 5.00 -2.05 1 137 ASP 2.71 -0.86 1 138 GLU -1.24 0.21 1 139 LEU 3.45 -2.50 1 140 THR 1.54 -1.38 1 141 LYS -1.27 -1.20 1 142 ASN 2.05 -0.87 1 143 GLN -3.09 1.73 1 144 VAL -5.53 0.92 1 145 SER 1.43 -2.60 1 146 LEU 0.27 -2.20 1 147 THR 0.22 0.42 1 149 LEU -0.76 -0.97 1 150 VAL -0.72 -1.55 1 151 LYS -4.40 2.29 1 153 PHE -5.18 1.38 1 154 TYR -0.79 3.68 1 156 SER 4.40 -2.94 1 157 ASP 0.91 -0.67 1 158 ILE -2.73 1.63 1 159 ALA -4.23 2.30 1 160 VAL -2.61 1.04 1 161 GLU -5.71 3.35 1 162 TRP -5.94 3.72 1 163 GLU -5.58 3.75 1 164 SER -0.87 0.20 1 165 ASN 2.71 -1.98 1 167 GLN -2.36 0.44 1 169 GLU -3.36 1.33 1 172 TYR -7.28 3.60 1 173 LYS -7.28 4.90 1 174 THR -1.73 0.38 1 175 THR 3.23 -1.77 1 178 VAL -1.79 -0.05 1 179 LEU 1.38 -1.10 1 180 ASP -5.07 1.91 1 181 SER 3.00 -1.32 1 182 ASP -0.75 -1.30 1 184 SER -2.13 0.47 1 185 PHE -3.27 2.50 1 186 PHE -5.10 2.71 1 187 LEU -2.09 1.41 1 188 TYR -7.21 5.64 1 189 SER -2.30 0.64 1 190 LYS -1.56 0.26 1 191 LEU 0.83 -2.80 1 192 THR 1.25 -1.33 1 193 VAL -7.06 2.54 1 194 ASP 1.38 -0.52 1 195 LYS 6.59 -2.59 1 197 ARG 3.22 -0.47 1 198 TRP 0.50 0.83 1 199 GLN 2.99 -1.08 1 200 GLN 1.52 -1.25 1 202 ASN 0.56 0.47 1 203 VAL 0.62 -1.22 1 204 PHE -3.15 2.33 1 205 SER -1.84 0.54 1 207 SER -1.65 -0.13 1 208 VAL -3.84 1.64 1 209 MET -4.52 3.06 1 211 GLU 2.62 -0.74 1 212 ALA 0.19 -0.95 1 213 LEU -2.80 1.08 1 214 HIS 4.01 -1.76 1 216 HIS 1.33 -1.93 1 217 TYR -3.49 3.43 1 218 THR -0.31 -0.81 1 219 GLN -4.82 2.78 1 220 LYS -5.50 2.69 1 221 SER -2.21 1.60 1 222 LEU -1.83 1.94 1 223 SER -2.64 1.79 1 224 LEU 1.65 -1.48 1 225 SER 6.90 -4.22 1 228 LYS 1.10 -0.31 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15514_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.28 _LACS_plot.Line_1_terminator_val_y_1 -2.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.27 _LACS_plot.Line_2_terminator_val_x_2 6.59 _LACS_plot.Line_2_terminator_val_y_2 1.18 _LACS_plot.Y_axis_chem_shift_offset 0.72 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 TRP -4.56 3.94 0 15 LEU 0.65 -0.38 1 16 LEU 0.67 0.17 1 20 SER -2.39 -2.85 1 21 VAL -3.16 -2.27 1 22 PHE -5.25 -3.12 1 23 LEU -4.81 -2.79 1 29 LYS 4.86 0.64 1 30 ASP 3.44 -0.17 1 31 THR 2.31 0.78 1 32 LEU -0.67 -0.67 1 33 MET -2.03 -0.28 1 34 ILE 2.54 -1.33 1 35 SER 1.06 0.07 1 36 ARG -1.93 -0.82 1 39 GLU -2.55 -1.26 1 40 VAL -1.44 -1.51 1 41 THR -0.29 -2.54 1 43 VAL -2.57 -2.55 1 44 VAL -2.11 -1.48 1 46 ASP -6.03 -1.30 1 47 VAL -2.63 -1.96 1 55 LYS -2.59 -0.98 1 56 PHE -2.51 0.59 1 57 ASN -3.57 -3.32 1 58 TRP -6.41 -0.65 1 59 TYR -4.78 -0.95 1 60 VAL -0.85 0.75 1 61 ASP 2.61 -0.17 1 63 VAL -0.08 -0.70 1 64 GLU 1.88 -0.20 1 65 VAL -3.97 0.62 1 66 HIS 0.22 0.71 1 67 ASN 1.64 -0.25 1 69 LYS -2.29 -2.18 1 70 THR 0.83 0.11 1 73 ARG -3.06 -1.29 1 74 GLU -4.45 -0.47 1 75 GLU 0.61 -0.03 1 76 GLN -2.86 -0.08 1 78 ASN 1.37 0.02 1 79 SER 3.93 -1.25 1 84 VAL -2.88 -2.56 1 85 SER -0.99 -0.87 1 86 VAL -3.26 -2.29 1 87 LEU -2.69 -2.12 1 88 THR 2.69 -0.69 1 89 VAL -3.85 -1.44 1 90 LEU 1.50 1.04 1 91 HIS 6.01 3.09 1 92 GLN 3.66 1.72 1 93 ASP 3.81 1.29 1 95 LEU 4.35 0.55 1 96 ASN 0.91 1.30 1 98 LYS 3.58 -1.78 1 99 GLU -3.02 -0.99 1 100 TYR -1.17 -1.75 1 101 LYS -5.14 -2.82 1 103 LYS -3.31 -2.09 1 104 VAL -1.95 -2.01 1 113 ILE -2.10 -1.88 1 114 GLU -5.29 -1.09 1 115 LYS -5.57 -2.30 1 116 THR -3.49 -0.42 1 117 ILE -4.43 -4.50 1 118 SER -3.01 -1.66 1 120 ALA 1.12 -0.09 1 121 LYS -0.45 1.05 1 125 ARG -3.94 -1.35 1 128 GLN -1.95 -1.84 1 129 VAL -0.95 -2.93 1 130 TYR -4.98 -1.22 1 131 THR -2.94 -0.48 1 135 SER -0.37 2.35 1 136 ARG 5.00 2.72 1 137 ASP 2.71 0.92 1 138 GLU -1.24 0.45 1 139 LEU 3.45 -1.40 1 140 THR 1.54 0.74 1 141 LYS -1.27 -0.54 1 142 ASN 2.05 0.86 1 143 GLN -3.09 -2.12 1 144 VAL -5.53 -2.97 1 145 SER 1.43 -1.83 1 146 LEU 0.27 -2.26 1 147 THR 0.22 -2.12 1 149 LEU -0.76 -5.11 1 150 VAL -0.72 -1.20 1 151 LYS -4.40 -1.78 1 153 PHE -5.18 -1.18 1 156 SER 4.40 -1.56 1 157 ASP 0.91 -3.22 1 159 ALA -4.23 -4.07 1 160 VAL -2.61 -1.61 1 161 GLU -5.71 -3.79 1 162 TRP -5.94 0.42 1 163 GLU -5.58 -1.54 1 164 SER -0.87 0.97 1 165 ASN 2.71 0.16 1 172 TYR -7.28 -1.87 1 173 LYS -7.28 -1.67 1 174 THR -1.73 -0.42 1 178 VAL -1.79 -2.01 1 179 LEU 1.38 -2.16 1 180 ASP -5.07 2.05 1 181 SER 3.00 -0.29 1 182 ASP -0.75 1.27 1 184 SER -2.13 -4.05 1 185 PHE -3.27 -1.46 1 186 PHE -5.10 -3.30 1 187 LEU -2.09 -3.21 1 188 TYR -7.21 -0.81 1 189 SER -2.30 -1.36 1 190 LYS -1.56 -1.41 1 191 LEU 0.83 -2.91 1 192 THR 1.25 -0.95 1 193 VAL -7.06 -1.65 1 194 ASP 1.38 1.14 1 195 LYS 6.59 1.48 1 197 ARG 3.22 2.98 1 198 TRP 0.50 1.62 1 199 GLN 2.99 0.78 1 200 GLN 1.52 0.85 1 202 ASN 0.56 -2.11 1 203 VAL 0.62 -0.55 1 204 PHE -3.15 -0.86 1 205 SER -1.84 -3.23 1 207 SER -1.65 -2.30 1 208 VAL -3.84 -2.67 1 209 MET -4.52 -2.68 1 210 HIS -4.50 1.08 1 211 GLU 2.62 -1.42 1 212 ALA 0.19 0.18 1 213 LEU -2.80 1.44 1 216 HIS 1.33 -0.87 1 217 TYR -3.49 -1.87 1 218 THR -0.31 -5.29 1 219 GLN -4.82 -1.72 1 220 LYS -5.50 -1.44 1 221 SER -2.21 -0.57 1 222 LEU -1.83 -3.71 1 223 SER -2.64 -1.50 1 224 LEU 1.65 -0.53 1 stop_ save_