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 bmr7235_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.67 _LACS_plot.Line_1_terminator_val_y_1 -5.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.79 _LACS_plot.Line_2_terminator_val_x_2 8.28 _LACS_plot.Line_2_terminator_val_y_2 5.37 _LACS_plot.Y_axis_chem_shift_offset 0.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 169 GLU -9.67 -0.10 0 16 THR 0.22 -0.95 1 17 ALA 4.57 3.69 1 18 GLU 3.11 1.76 1 19 TYR 4.47 2.86 1 20 HIS 4.76 6.58 1 21 PHE 4.53 2.44 1 22 ARG 4.06 3.24 1 23 ALA 3.94 2.73 1 24 TRP 1.49 1.73 1 25 LYS 4.92 3.34 1 26 ALA 3.51 1.60 1 27 LEU 2.82 1.93 1 28 ALA 4.23 2.50 1 29 GLU 3.52 2.08 1 30 GLU 3.21 2.22 1 31 ILE 1.64 -0.17 1 33 ILE 0.13 -0.29 1 34 ASN -1.17 -0.58 1 36 VAL 4.53 0.11 1 38 ARG 5.62 3.22 1 39 GLN 4.73 2.71 1 40 PHE 4.12 3.36 1 41 ASN 2.54 2.90 1 42 GLU 3.29 2.04 1 53 LEU 4.99 1.92 1 54 GLN 3.75 2.44 1 55 LYS 4.62 2.94 1 56 ILE 5.30 3.69 1 57 LEU 6.07 2.61 1 58 ASP 3.77 2.18 1 59 LEU 3.64 2.13 1 60 ALA -3.16 -2.20 1 61 ASP 2.45 0.74 1 62 LYS -1.01 -0.87 1 63 LYS -0.92 -1.80 1 64 VAL -5.52 -4.01 1 65 SER -2.22 -1.28 1 66 ALA 4.41 2.52 1 67 GLU 4.23 2.77 1 68 GLU 2.41 2.01 1 69 PHE 5.06 4.27 1 70 LYS 4.33 2.95 1 71 GLU 3.49 2.00 1 72 LEU 3.16 2.31 1 73 ALA 5.39 2.54 1 74 LYS 4.80 2.92 1 75 ARG 4.60 2.78 1 76 LYS 8.28 4.08 1 77 ASN 4.40 3.39 1 78 ASP 4.70 2.74 1 79 ASN 3.56 1.85 1 80 TYR 4.80 4.02 1 81 VAL 5.82 3.50 1 82 LYS 4.14 2.32 1 83 MET 3.93 2.69 1 84 ILE 5.35 2.25 1 85 GLN 3.86 2.01 1 86 ASP 0.26 -0.01 1 87 VAL 4.20 1.38 1 88 SER -1.29 0.76 1 90 ALA 2.29 0.76 1 91 ASP 1.26 1.11 1 92 VAL 3.14 1.35 1 93 TYR 2.19 -1.40 1 96 ILE 4.92 -0.05 1 97 LEU 5.24 3.09 1 98 GLN 3.63 1.85 1 99 LEU 5.22 2.68 1 100 LEU 5.70 2.75 1 101 LYS 4.82 3.73 1 102 ASP 4.43 2.84 1 103 LEU 5.54 3.11 1 104 ARG 5.29 3.03 1 105 SER 4.32 2.79 1 106 ASN -0.05 0.47 1 107 LYS 6.34 0.62 1 108 ILE 0.67 -1.16 1 109 LYS -0.86 -1.31 1 110 ILE -1.41 -0.17 1 111 ALA -8.01 -3.54 1 112 LEU -1.55 -1.22 1 113 ALA -2.76 -3.38 1 118 ASN 0.20 -0.12 1 121 PHE 3.58 2.62 1 122 LEU 4.51 2.57 1 123 LEU 5.25 2.96 1 124 GLU 3.97 2.07 1 125 ARG 3.18 0.68 1 126 MET 0.89 0.55 1 127 ASN 2.71 0.33 1 128 LEU -3.21 -1.50 1 129 THR 6.40 5.16 1 131 TYR 1.58 1.56 1 132 PHE 1.12 0.54 1 133 ASP 1.28 2.47 1 134 ALA -5.15 -0.87 1 135 ILE -1.80 -0.73 1 136 ALA 0.93 -0.42 1 137 ASP -1.76 -1.51 1 139 ALA 1.80 0.64 1 140 GLU -0.89 -1.22 1 142 ALA 1.81 0.90 1 143 ALA -3.28 -1.61 1 147 ALA 2.23 1.03 1 149 ASP 5.48 3.69 1 150 ILE 3.89 2.14 1 151 PHE 6.70 5.35 1 152 ILE 5.84 4.49 1 153 ALA 3.38 1.75 1 154 ALA 3.57 2.42 1 155 ALA 4.92 1.84 1 156 HIS 3.11 2.93 1 157 ALA 3.15 1.57 1 158 VAL -0.45 -2.75 1 160 VAL -4.40 -3.27 1 161 ALA 0.12 -0.85 1 163 SER 3.47 1.48 1 164 GLU -0.52 -1.10 1 165 SER -2.28 -0.85 1 166 ILE -4.22 -2.25 1 168 LEU -0.28 -1.67 1 172 GLN 6.41 4.16 1 173 ALA 3.47 1.73 1 175 ILE 5.38 1.05 1 176 GLN 4.59 2.54 1 177 ALA 2.18 2.21 1 178 ILE 5.87 3.64 1 179 LYS 4.69 3.37 1 180 ASP 4.50 2.09 1 181 SER 1.57 2.01 1 183 ALA -2.25 -1.70 1 184 LEU -3.00 -1.43 1 186 ILE 1.00 0.34 1 188 VAL -4.16 -5.07 1 190 ARG -1.36 -1.48 1 192 GLU 4.90 2.73 1 193 ASP 0.02 0.67 1 194 LEU 0.25 0.67 1 196 ASP -0.52 -0.44 1 197 ASP 0.89 -0.67 1 198 ILE -4.58 -3.02 1 199 VAL 4.05 1.46 1 200 ILE -5.31 -2.93 1 201 VAL -2.67 -3.61 1 203 ASP -1.56 -1.16 1 204 THR 4.39 3.43 1 205 SER 4.71 2.87 1 206 HIS 0.57 1.64 1 207 TYR -0.21 -3.63 1 208 THR -5.23 -3.94 1 209 LEU 5.74 3.14 1 210 GLU 4.20 2.85 1 211 PHE 3.34 3.13 1 212 LEU 6.30 3.76 1 213 LYS 5.44 4.30 1 214 GLU 3.67 2.45 1 215 VAL 5.67 3.46 1 216 TRP 3.51 3.02 1 217 LEU 3.38 1.92 1 218 GLN 2.84 1.44 1 219 LYS 0.88 -0.85 1 220 GLN 1.04 -0.60 1 221 LYS 1.75 1.01 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7235_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.67 _LACS_plot.Line_1_terminator_val_y_1 4.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.53 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 8.28 _LACS_plot.Line_2_terminator_val_y_2 -2.91 _LACS_plot.Y_axis_chem_shift_offset 0.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 169 GLU -9.67 9.57 0 16 THR 0.22 -1.17 1 17 ALA 4.57 -0.88 1 18 GLU 3.11 -1.35 1 19 TYR 4.47 -1.61 1 20 HIS 4.76 1.82 1 21 PHE 4.53 -2.09 1 22 ARG 4.06 -0.82 1 23 ALA 3.94 -1.21 1 24 TRP 1.49 0.24 1 25 LYS 4.92 -1.58 1 26 ALA 3.51 -1.91 1 27 LEU 2.82 -0.89 1 28 ALA 4.23 -1.73 1 29 GLU 3.52 -1.44 1 30 GLU 3.21 -0.99 1 31 ILE 1.64 -1.81 1 33 ILE 0.13 -0.42 1 34 ASN -1.17 0.59 1 36 VAL 4.53 -4.42 1 38 ARG 5.62 -2.40 1 39 GLN 4.73 -2.02 1 40 PHE 4.12 -0.76 1 41 ASN 2.54 0.36 1 42 GLU 3.29 -1.25 1 53 LEU 4.99 -3.07 1 54 GLN 3.75 -1.31 1 55 LYS 4.62 -1.68 1 56 ILE 5.30 -1.61 1 57 LEU 6.07 -3.46 1 58 ASP 3.77 -1.59 1 59 LEU 3.64 -1.51 1 60 ALA -3.16 0.96 1 61 ASP 2.45 -1.71 1 62 LYS -1.01 0.14 1 63 LYS -0.92 -0.88 1 64 VAL -5.52 1.51 1 65 SER -2.22 0.94 1 66 ALA 4.41 -1.89 1 67 GLU 4.23 -1.46 1 68 GLU 2.41 -0.40 1 69 PHE 5.06 -0.79 1 70 LYS 4.33 -1.38 1 71 GLU 3.49 -1.49 1 72 LEU 3.16 -0.85 1 73 ALA 5.39 -2.85 1 74 LYS 4.80 -1.88 1 75 ARG 4.60 -1.82 1 76 LYS 8.28 -4.20 1 77 ASN 4.40 -1.01 1 78 ASP 4.70 -1.96 1 79 ASN 3.56 -1.71 1 80 TYR 4.80 -0.78 1 81 VAL 5.82 -2.32 1 82 LYS 4.14 -1.82 1 83 MET 3.93 -1.24 1 84 ILE 5.35 -3.10 1 85 GLN 3.86 -1.85 1 86 ASP 0.26 -0.27 1 87 VAL 4.20 -2.82 1 88 SER -1.29 2.05 1 90 ALA 2.29 -1.53 1 91 ASP 1.26 -0.15 1 92 VAL 3.14 -1.79 1 93 TYR 2.19 -3.59 1 96 ILE 4.92 -4.97 1 97 LEU 5.24 -2.15 1 98 GLN 3.63 -1.78 1 99 LEU 5.22 -2.54 1 100 LEU 5.70 -2.95 1 101 LYS 4.82 -1.09 1 102 ASP 4.43 -1.59 1 103 LEU 5.54 -2.43 1 104 ARG 5.29 -2.26 1 105 SER 4.32 -1.53 1 106 ASN -0.05 0.52 1 107 LYS 6.34 -5.72 1 108 ILE 0.67 -1.83 1 109 LYS -0.86 -0.45 1 110 ILE -1.41 1.24 1 111 ALA -8.01 4.47 1 112 LEU -1.55 0.33 1 113 ALA -2.76 -0.62 1 118 ASN 0.20 -0.32 1 121 PHE 3.58 -0.96 1 122 LEU 4.51 -1.94 1 123 LEU 5.25 -2.29 1 124 GLU 3.97 -1.90 1 125 ARG 3.18 -2.50 1 126 MET 0.89 -0.34 1 127 ASN 2.71 -2.38 1 128 LEU -3.21 1.71 1 129 THR 6.40 -1.24 1 131 TYR 1.58 -0.02 1 132 PHE 1.12 -0.58 1 133 ASP 1.28 1.19 1 134 ALA -5.15 4.28 1 135 ILE -1.80 1.07 1 136 ALA 0.93 -1.35 1 137 ASP -1.76 0.25 1 139 ALA 1.80 -1.16 1 140 GLU -0.89 -0.33 1 142 ALA 1.81 -0.91 1 143 ALA -3.28 1.67 1 147 ALA 2.23 -1.20 1 149 ASP 5.48 -1.79 1 150 ILE 3.89 -1.75 1 151 PHE 6.70 -1.35 1 152 ILE 5.84 -1.35 1 153 ALA 3.38 -1.63 1 154 ALA 3.57 -1.15 1 155 ALA 4.92 -3.08 1 156 HIS 3.11 -0.18 1 157 ALA 3.15 -1.58 1 158 VAL -0.45 -2.30 1 160 VAL -4.40 1.13 1 161 ALA 0.12 -0.97 1 163 SER 3.47 -1.99 1 164 GLU -0.52 -0.58 1 165 SER -2.28 1.43 1 166 ILE -4.22 1.97 1 168 LEU -0.28 -1.39 1 172 GLN 6.41 -2.25 1 173 ALA 3.47 -1.74 1 175 ILE 5.38 -4.33 1 176 GLN 4.59 -2.05 1 177 ALA 2.18 0.03 1 178 ILE 5.87 -2.23 1 179 LYS 4.69 -1.32 1 180 ASP 4.50 -2.41 1 181 SER 1.57 0.44 1 183 ALA -2.25 0.55 1 184 LEU -3.00 1.57 1 186 ILE 1.00 -0.66 1 188 VAL -4.16 -0.91 1 190 ARG -1.36 -0.12 1 192 GLU 4.90 -2.17 1 193 ASP 0.02 0.65 1 194 LEU 0.25 0.42 1 196 ASP -0.52 0.08 1 197 ASP 0.89 -1.56 1 198 ILE -4.58 1.56 1 199 VAL 4.05 -2.59 1 200 ILE -5.31 2.38 1 201 VAL -2.67 -0.94 1 203 ASP -1.56 0.40 1 204 THR 4.39 -0.96 1 205 SER 4.71 -1.84 1 206 HIS 0.57 1.07 1 207 TYR -0.21 -3.42 1 208 THR -5.23 1.29 1 209 LEU 5.74 -2.60 1 210 GLU 4.20 -1.35 1 211 PHE 3.34 -0.21 1 212 LEU 6.30 -2.54 1 213 LYS 5.44 -1.14 1 214 GLU 3.67 -1.22 1 215 VAL 5.67 -2.21 1 216 TRP 3.51 -0.49 1 217 LEU 3.38 -1.46 1 218 GLN 2.84 -1.40 1 219 LYS 0.88 -1.73 1 220 GLN 1.04 -1.64 1 221 LYS 1.75 -0.74 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7235_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.67 _LACS_plot.Line_1_terminator_val_y_1 -3.41 _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 -0.71 _LACS_plot.Line_2_terminator_val_x_2 8.28 _LACS_plot.Line_2_terminator_val_y_2 2.98 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 169 GLU -9.67 -2.76 0 16 THR 0.22 1.43 1 17 ALA 4.57 3.11 1 18 GLU 3.11 1.57 1 19 TYR 4.47 2.76 1 20 HIS 4.76 3.17 1 21 PHE 4.53 1.13 1 22 ARG 4.06 3.19 1 23 ALA 3.94 1.90 1 24 TRP 1.49 2.48 1 25 LYS 4.92 1.54 1 26 ALA 3.51 2.83 1 27 LEU 2.82 0.44 1 28 ALA 4.23 1.90 1 29 GLU 3.52 3.58 1 30 GLU 3.21 2.14 1 31 ILE 1.64 -0.51 1 33 ILE 0.13 -1.43 1 34 ASN -1.17 -0.12 1 36 VAL 4.53 -2.30 1 38 ARG 5.62 2.24 1 39 GLN 4.73 2.70 1 40 PHE 4.12 1.75 1 41 ASN 2.54 2.25 1 42 GLU 3.29 2.41 1 53 LEU 4.99 0.59 1 54 GLN 3.75 1.14 1 55 LYS 4.62 2.90 1 56 ILE 5.30 0.95 1 57 LEU 6.07 3.15 1 58 ASP 3.77 3.13 1 59 LEU 3.64 0.68 1 60 ALA -3.16 -1.83 1 61 ASP 2.45 -1.63 1 62 LYS -1.01 -1.16 1 63 LYS -0.92 -0.30 1 64 VAL -5.52 -0.52 1 65 SER -2.22 0.00 1 66 ALA 4.41 3.21 1 67 GLU 4.23 2.83 1 68 GLU 2.41 2.06 1 69 PHE 5.06 0.98 1 70 LYS 4.33 3.26 1 71 GLU 3.49 2.50 1 72 LEU 3.16 0.64 1 73 ALA 5.39 2.41 1 74 LYS 4.80 1.96 1 75 ARG 4.60 2.78 1 76 LYS 8.28 2.16 1 77 ASN 4.40 1.30 1 78 ASP 4.70 3.06 1 79 ASN 3.56 1.48 1 80 TYR 4.80 -0.29 1 81 VAL 5.82 1.44 1 82 LYS 4.14 3.26 1 83 MET 3.93 2.99 1 84 ILE 5.35 -0.06 1 85 GLN 3.86 0.30 1 86 ASP 0.26 0.68 1 87 VAL 4.20 -2.48 1 88 SER -1.29 0.79 1 90 ALA 2.29 0.22 1 91 ASP 1.26 0.76 1 92 VAL 3.14 0.52 1 93 TYR 2.19 0.45 1 96 ILE 4.92 0.47 1 97 LEU 5.24 0.27 1 98 GLN 3.63 1.35 1 99 LEU 5.22 0.85 1 100 LEU 5.70 1.36 1 101 LYS 4.82 3.63 1 102 ASP 4.43 3.43 1 103 LEU 5.54 1.40 1 104 ARG 5.29 5.50 1 105 SER 4.32 0.50 1 106 ASN -0.05 -2.85 1 107 LYS 6.34 -1.55 1 108 ILE 0.67 -0.68 1 109 LYS -0.86 -0.85 1 110 ILE -1.41 -0.62 1 111 ALA -8.01 -1.59 1 112 LEU -1.55 -3.53 1 113 ALA -2.76 -4.23 1 118 ASN 0.20 -0.51 1 121 PHE 3.58 1.48 1 122 LEU 4.51 1.11 1 123 LEU 5.25 1.28 1 124 GLU 3.97 4.20 1 125 ARG 3.18 2.06 1 126 MET 0.89 -2.73 1 127 ASN 2.71 0.60 1 128 LEU -3.21 0.21 1 129 THR 6.40 1.56 1 131 TYR 1.58 -1.41 1 132 PHE 1.12 -0.07 1 133 ASP 1.28 0.05 1 134 ALA -5.15 -2.51 1 135 ILE -1.80 -0.94 1 136 ALA 0.93 -2.18 1 137 ASP -1.76 1.20 1 139 ALA 1.80 1.17 1 140 GLU -0.89 -0.50 1 142 ALA 1.81 -0.13 1 143 ALA -3.28 -1.54 1 147 ALA 2.23 2.12 1 149 ASP 5.48 1.56 1 150 ILE 3.89 -0.68 1 151 PHE 6.70 1.87 1 152 ILE 5.84 1.28 1 153 ALA 3.38 3.14 1 154 ALA 3.57 -1.13 1 155 ALA 4.92 1.88 1 156 HIS 3.11 5.22 1 157 ALA 3.15 1.28 1 158 VAL -0.45 -0.81 1 160 VAL -4.40 -2.05 1 161 ALA 0.12 2.76 1 163 SER 3.47 1.33 1 164 GLU -0.52 -1.87 1 165 SER -2.28 -2.56 1 166 ILE -4.22 -1.10 1 168 LEU -0.28 -2.20 1 172 GLN 6.41 2.34 1 173 ALA 3.47 2.49 1 175 ILE 5.38 1.37 1 176 GLN 4.59 0.98 1 177 ALA 2.18 1.80 1 178 ILE 5.87 3.96 1 179 LYS 4.69 4.40 1 180 ASP 4.50 1.17 1 181 SER 1.57 -0.83 1 183 ALA -2.25 -2.93 1 184 LEU -3.00 -0.82 1 186 ILE 1.00 2.05 1 188 VAL -4.16 -2.34 1 190 ARG -1.36 1.43 1 192 GLU 4.90 0.18 1 193 ASP 0.02 0.48 1 194 LEU 0.25 -1.51 1 196 ASP -0.52 0.60 1 197 ASP 0.89 -1.04 1 198 ILE -4.58 -1.06 1 199 VAL 4.05 -2.00 1 200 ILE -5.31 -0.36 1 201 VAL -2.67 -0.55 1 203 ASP -1.56 -0.55 1 204 THR 4.39 1.80 1 205 SER 4.71 0.97 1 206 HIS 0.57 2.51 1 207 TYR -0.21 -2.43 1 208 THR -5.23 -0.05 1 209 LEU 5.74 0.19 1 210 GLU 4.20 2.17 1 211 PHE 3.34 0.94 1 212 LEU 6.30 1.41 1 213 LYS 5.44 1.48 1 214 GLU 3.67 2.95 1 215 VAL 5.67 2.05 1 216 TRP 3.51 2.51 1 217 LEU 3.38 2.28 1 218 GLN 2.84 1.71 1 219 LYS 0.88 -0.03 1 220 GLN 1.04 -0.96 1 221 LYS 1.75 4.85 1 stop_ save_