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 bmr19261_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.66 _LACS_plot.Line_1_terminator_val_y_1 -3.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.43 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 4.89 _LACS_plot.Y_axis_chem_shift_offset 0.82 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 THR -6.66 -4.54 0 12 HIS -0.88 1.83 0 10 MET 0.91 -1.64 1 11 VAL -4.68 -2.97 1 13 GLN -4.19 -2.07 1 14 ALA 0.33 -0.76 1 15 ILE 1.69 0.50 1 16 SER -0.34 -0.58 1 18 ARG 4.82 2.85 1 19 THR 6.16 4.12 1 20 LEU 4.67 2.70 1 21 ASN 3.82 2.58 1 22 ALA 3.68 1.99 1 24 VAL 6.14 3.92 1 25 LYS 4.50 2.19 1 28 GLU 3.13 2.23 1 29 GLU 1.41 1.47 1 30 LYS 0.45 -1.22 1 31 ALA 2.70 0.16 1 32 PHE 2.83 -0.09 1 33 SER 0.77 0.18 1 35 GLU 2.73 1.73 1 36 VAL 4.54 2.46 1 37 ILE 4.16 2.37 1 39 MET 5.74 3.76 1 40 PHE 3.37 1.69 1 42 ALA -0.24 -1.24 1 44 SER 2.84 1.23 1 45 GLU 0.00 0.20 1 47 ALA 0.59 -0.30 1 48 THR 5.31 3.99 1 50 GLN 3.48 3.04 1 51 ASP 5.65 2.62 1 52 LEU 5.12 2.94 1 53 ASN 7.14 4.95 1 54 THR 5.33 4.52 1 55 MET 4.87 2.69 1 56 LEU 2.98 1.67 1 57 ASN 2.57 1.84 1 58 THR 2.74 0.36 1 59 VAL 1.04 0.38 1 62 HIS 6.30 4.42 1 63 GLN 4.55 2.28 1 64 ALA 3.50 1.80 1 65 ALA 4.03 0.81 1 66 MET 5.29 2.79 1 67 GLN 4.20 3.02 1 68 MET 5.10 3.41 1 69 LEU 5.47 3.17 1 70 LYS 4.00 2.49 1 71 GLU 6.68 5.13 1 72 THR 6.27 4.48 1 73 ILE 4.42 2.51 1 74 ASN 3.81 2.32 1 75 GLU 4.88 1.07 1 76 GLU 4.36 1.91 1 77 ALA 4.04 1.72 1 78 ALA 3.32 1.51 1 79 GLU 4.59 3.83 1 80 TRP 5.04 2.94 1 81 ASP 4.04 2.77 1 82 ARG 0.44 -0.37 1 83 LEU 1.88 -0.63 1 84 HIS 0.42 -0.50 1 86 VAL 0.22 0.41 1 87 HIS 0.06 -0.66 1 88 ALA -0.27 -1.38 1 91 ILE 0.63 -0.45 1 92 ALA -1.08 -1.52 1 95 GLN -1.69 -1.10 1 96 MET 0.65 -1.15 1 97 ARG 0.06 -0.27 1 98 GLU -1.96 -3.21 1 100 ARG 4.74 2.21 1 102 SER 2.68 2.24 1 103 ASP 7.24 4.17 1 104 ILE -0.82 -2.34 1 105 ALA 3.33 1.69 1 107 THR -0.20 -1.16 1 109 SER -3.66 -2.69 1 110 THR 4.83 2.41 1 111 LEU 5.97 3.40 1 112 GLN 3.39 1.76 1 113 GLU 6.34 3.88 1 114 GLN 5.46 4.03 1 115 ILE 6.86 4.12 1 117 TRP 2.81 3.84 1 118 MET -0.78 -1.07 1 119 THR 2.77 1.83 1 120 HIS -2.84 -2.44 1 121 ASN 1.50 0.03 1 124 ILE 6.22 3.16 1 126 VAL 2.67 1.20 1 128 GLU 5.46 3.71 1 129 ILE 0.86 -2.12 1 130 TYR 5.82 3.79 1 131 LYS 6.03 3.44 1 132 ARG 1.61 0.48 1 133 TRP 5.77 3.87 1 134 ILE 6.90 4.66 1 135 ILE 5.41 3.29 1 136 LEU 3.88 2.47 1 138 LEU 3.81 3.48 1 139 ASN 4.84 3.33 1 140 LYS 5.06 3.62 1 141 ILE 5.00 2.90 1 142 VAL 3.82 2.02 1 143 ARG 2.56 1.60 1 144 MET 4.91 2.79 1 151 LEU 4.05 0.53 1 152 ASP -3.16 -2.23 1 154 ARG 2.73 -0.30 1 155 GLN -0.84 -2.65 1 158 LYS -2.87 -1.11 1 159 GLU 5.99 4.81 1 161 PHE 5.24 3.31 1 162 ARG 4.17 2.47 1 163 ASP 2.59 1.12 1 164 TYR 6.30 3.92 1 165 VAL 3.90 3.20 1 166 ASP 5.23 3.63 1 167 ARG 0.68 -0.69 1 193 ASN 0.01 -1.20 1 194 ALA 3.56 -0.33 1 195 ASN 3.46 2.68 1 197 ASP 6.50 4.76 1 199 LYS 5.92 4.42 1 200 THR 4.43 2.87 1 201 ILE 3.37 1.96 1 202 LEU 4.50 2.10 1 203 LYS 2.08 0.44 1 204 ALA 1.79 0.79 1 205 LEU -0.14 -0.50 1 209 ALA -2.88 -1.78 1 210 THR 4.91 2.61 1 211 LEU 5.01 3.29 1 212 GLU 3.57 2.37 1 213 GLU 5.11 4.40 1 214 MET 4.66 3.54 1 215 MET 5.99 4.28 1 216 THR 3.00 1.93 1 217 ALA 3.89 2.17 1 219 GLN 2.85 0.73 1 221 VAL 0.98 0.86 1 226 HIS 0.64 -0.57 1 227 LYS 0.14 -0.56 1 228 ALA 0.63 -0.37 1 229 ARG 0.94 -0.23 1 230 VAL 1.27 1.25 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19261_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.66 _LACS_plot.Line_1_terminator_val_y_1 2.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.43 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 -2.34 _LACS_plot.Y_axis_chem_shift_offset 0.82 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 THR -6.66 2.12 0 12 HIS -0.88 2.71 0 10 MET 0.91 -2.55 1 11 VAL -4.68 1.71 1 13 GLN -4.19 2.12 1 14 ALA 0.33 -1.09 1 15 ILE 1.69 -1.19 1 16 SER -0.34 -0.24 1 18 ARG 4.82 -1.97 1 19 THR 6.16 -2.04 1 20 LEU 4.67 -1.97 1 21 ASN 3.82 -1.24 1 22 ALA 3.68 -1.69 1 24 VAL 6.14 -2.22 1 25 LYS 4.50 -2.31 1 28 GLU 3.13 -0.90 1 29 GLU 1.41 0.06 1 30 LYS 0.45 -1.67 1 31 ALA 2.70 -2.54 1 32 PHE 2.83 -2.92 1 33 SER 0.77 -0.59 1 35 GLU 2.73 -1.00 1 36 VAL 4.54 -2.08 1 37 ILE 4.16 -1.79 1 39 MET 5.74 -1.98 1 40 PHE 3.37 -1.68 1 42 ALA -0.24 -1.00 1 44 SER 2.84 -1.61 1 45 GLU 0.00 0.20 1 47 ALA 0.59 -0.89 1 48 THR 5.31 -1.32 1 50 GLN 3.48 -0.44 1 51 ASP 5.65 -3.03 1 52 LEU 5.12 -2.18 1 53 ASN 7.14 -2.19 1 54 THR 5.33 -0.81 1 55 MET 4.87 -2.18 1 56 LEU 2.98 -1.31 1 57 ASN 2.57 -0.73 1 58 THR 2.74 -2.38 1 59 VAL 1.04 -0.66 1 62 HIS 6.30 -1.88 1 63 GLN 4.55 -2.27 1 64 ALA 3.50 -1.70 1 65 ALA 4.03 -3.22 1 66 MET 5.29 -2.50 1 67 GLN 4.20 -1.18 1 68 MET 5.10 -1.69 1 69 LEU 5.47 -2.30 1 70 LYS 4.00 -1.51 1 71 GLU 6.68 -1.55 1 72 THR 6.27 -1.79 1 73 ILE 4.42 -1.91 1 74 ASN 3.81 -1.49 1 75 GLU 4.88 -3.81 1 76 GLU 4.36 -2.45 1 77 ALA 4.04 -2.32 1 78 ALA 3.32 -1.81 1 79 GLU 4.59 -0.76 1 80 TRP 5.04 -2.10 1 81 ASP 4.04 -1.27 1 82 ARG 0.44 -0.81 1 83 LEU 1.88 -2.51 1 84 HIS 0.42 -0.92 1 86 VAL 0.22 0.19 1 87 HIS 0.06 -0.72 1 88 ALA -0.27 -1.11 1 91 ILE 0.63 -1.08 1 92 ALA -1.08 -0.44 1 95 GLN -1.69 0.59 1 96 MET 0.65 -1.80 1 97 ARG 0.06 -0.33 1 98 GLU -1.96 -1.25 1 100 ARG 4.74 -2.53 1 102 SER 2.68 -0.44 1 103 ASP 7.24 -3.07 1 104 ILE -0.82 -1.52 1 105 ALA 3.33 -1.64 1 107 THR -0.20 -0.96 1 109 SER -3.66 0.97 1 110 THR 4.83 -2.42 1 111 LEU 5.97 -2.57 1 112 GLN 3.39 -1.63 1 113 GLU 6.34 -2.46 1 114 GLN 5.46 -1.43 1 115 ILE 6.86 -2.74 1 117 TRP 2.81 1.03 1 118 MET -0.78 -0.29 1 119 THR 2.77 -0.94 1 120 HIS -2.84 0.40 1 121 ASN 1.50 -1.47 1 124 ILE 6.22 -3.06 1 126 VAL 2.67 -1.47 1 128 GLU 5.46 -1.75 1 129 ILE 0.86 -2.98 1 130 TYR 5.82 -2.03 1 131 LYS 6.03 -2.59 1 132 ARG 1.61 -1.13 1 133 TRP 5.77 -1.90 1 134 ILE 6.90 -2.24 1 135 ILE 5.41 -2.12 1 136 LEU 3.88 -1.41 1 138 LEU 3.81 -0.33 1 139 ASN 4.84 -1.51 1 140 LYS 5.06 -1.44 1 141 ILE 5.00 -2.10 1 142 VAL 3.82 -1.80 1 143 ARG 2.56 -0.96 1 144 MET 4.91 -2.12 1 151 LEU 4.05 -3.52 1 152 ASP -3.16 0.93 1 154 ARG 2.73 -3.03 1 155 GLN -0.84 -1.81 1 158 LYS -2.87 1.76 1 159 GLU 5.99 -1.18 1 161 PHE 5.24 -1.93 1 162 ARG 4.17 -1.70 1 163 ASP 2.59 -1.47 1 164 TYR 6.30 -2.38 1 165 VAL 3.90 -0.70 1 166 ASP 5.23 -1.60 1 167 ARG 0.68 -1.37 1 193 ASN 0.01 -1.21 1 194 ALA 3.56 -3.89 1 195 ASN 3.46 -0.78 1 197 ASP 6.50 -1.74 1 199 LYS 5.92 -1.50 1 200 THR 4.43 -1.56 1 201 ILE 3.37 -1.41 1 202 LEU 4.50 -2.40 1 203 LYS 2.08 -1.64 1 204 ALA 1.79 -1.00 1 205 LEU -0.14 -0.36 1 209 ALA -2.88 1.10 1 210 THR 4.91 -2.30 1 211 LEU 5.01 -1.72 1 212 GLU 3.57 -1.20 1 213 GLU 5.11 -0.71 1 214 MET 4.66 -1.12 1 215 MET 5.99 -1.71 1 216 THR 3.00 -1.07 1 217 ALA 3.89 -1.72 1 219 GLN 2.85 -2.12 1 221 VAL 0.98 -0.12 1 226 HIS 0.64 -1.21 1 227 LYS 0.14 -0.70 1 228 ALA 0.63 -1.00 1 229 ARG 0.94 -1.17 1 230 VAL 1.27 -0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19261_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.66 _LACS_plot.Line_1_terminator_val_y_1 -2.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.99 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.50 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 2.78 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 ASP 7.24 -3.69 0 10 MET 0.91 -0.37 1 11 VAL -4.68 -2.09 1 13 GLN -4.19 -2.30 1 14 ALA 0.33 0.32 1 15 ILE 1.69 -1.73 1 16 SER -0.34 1.20 1 18 ARG 4.82 3.05 1 19 THR 6.16 1.10 1 20 LEU 4.67 0.99 1 21 ASN 3.82 2.33 1 24 VAL 6.14 2.01 1 25 LYS 4.50 2.10 1 28 GLU 3.13 1.95 1 29 GLU 1.41 1.83 1 30 LYS 0.45 0.12 1 31 ALA 2.70 -3.80 1 32 PHE 2.83 -1.14 1 33 SER 0.77 0.23 1 35 GLU 2.73 0.74 1 36 VAL 4.54 0.51 1 37 ILE 4.16 1.03 1 39 MET 5.74 2.94 1 40 PHE 3.37 2.62 1 42 ALA -0.24 0.19 1 44 SER 2.84 1.61 1 45 GLU 0.00 0.66 1 47 ALA 0.59 1.42 1 48 THR 5.31 2.92 1 50 GLN 3.48 1.92 1 51 ASP 5.65 1.38 1 52 LEU 5.12 2.95 1 53 ASN 7.14 2.39 1 54 THR 5.33 3.17 1 55 MET 4.87 1.38 1 56 LEU 2.98 1.90 1 57 ASN 2.57 0.26 1 58 THR 2.74 -0.31 1 59 VAL 6.30 2.62 1 63 GLN 4.55 2.85 1 64 ALA 3.50 1.36 1 65 ALA 4.03 3.13 1 66 MET 5.29 2.38 1 67 GLN 4.20 3.37 1 68 MET 5.10 0.85 1 69 LEU 5.47 2.29 1 70 LYS 4.00 2.86 1 71 GLU 6.68 1.22 1 72 THR 6.27 0.46 1 73 ILE 4.42 3.44 1 74 ASN 3.81 2.95 1 75 GLU 4.88 2.82 1 76 GLU 4.36 1.09 1 77 ALA 4.04 3.56 1 78 ALA 3.32 1.84 1 79 GLU 4.59 3.54 1 80 TRP 5.04 2.26 1 81 ASP 4.04 1.92 1 82 ARG 0.44 -1.30 1 83 LEU 0.42 -0.02 1 86 VAL 0.06 -0.31 1 88 ALA -0.27 -0.62 1 91 ILE 0.63 -0.85 1 92 ALA -1.08 -0.81 1 95 GLN -1.69 -0.23 1 96 MET 0.65 -1.41 1 97 ARG 0.06 -0.20 1 98 GLU -1.96 2.24 1 100 ARG 4.74 2.33 1 102 SER 2.68 3.49 1 104 ILE -0.82 -0.55 1 105 ALA 3.33 2.29 1 107 THR -0.20 -1.41 1 108 THR -6.66 -0.53 1 109 SER -3.66 1.18 1 110 THR 4.83 0.59 1 111 LEU 5.97 3.69 1 112 GLN 3.39 1.14 1 113 GLU 6.34 2.24 1 114 GLN 5.46 3.16 1 115 ILE 6.86 2.82 1 117 TRP 2.81 1.09 1 118 MET -0.78 -1.00 1 119 THR -2.84 -0.92 1 121 ASN 1.50 1.28 1 124 ILE 6.22 0.29 1 126 VAL 2.67 2.96 1 128 GLU 5.46 -0.24 1 129 ILE 0.86 2.35 1 130 TYR 5.82 1.10 1 131 LYS 6.03 2.86 1 132 ARG 1.61 2.31 1 133 TRP 5.77 1.83 1 134 ILE 6.90 2.06 1 135 ILE 5.41 3.07 1 136 LEU 3.88 1.25 1 138 LEU 3.81 2.54 1 139 ASN 4.84 2.34 1 140 LYS 5.06 1.84 1 141 ILE 5.00 2.54 1 142 VAL 3.82 1.61 1 143 ARG 4.91 1.48 1 151 LEU -3.16 -0.53 1 154 ARG 2.73 1.14 1 155 GLN -0.84 -0.95 1 158 LYS -2.87 -0.29 1 159 GLU 5.99 1.00 1 161 PHE 5.24 1.01 1 162 ARG 4.17 1.90 1 163 ASP 2.59 0.11 1 164 TYR 6.30 1.51 1 165 VAL 3.90 2.67 1 166 ASP 5.23 2.83 1 167 ARG 0.68 -0.13 1 193 ASN 0.01 -2.09 1 194 ALA 3.56 -0.62 1 195 ASN 3.46 2.81 1 197 ASP 6.50 1.52 1 199 LYS 5.92 1.71 1 200 THR 4.43 2.01 1 201 ILE 3.37 3.06 1 202 LEU 4.50 1.75 1 203 LYS 2.08 1.01 1 204 ALA 1.79 0.87 1 205 LEU -0.14 -0.06 1 209 ALA -2.88 1.18 1 210 THR 4.91 1.56 1 211 LEU 5.01 2.96 1 212 GLU 3.57 3.55 1 213 GLU 5.11 1.18 1 214 MET 4.66 3.43 1 215 MET 5.99 2.02 1 216 THR 3.00 1.80 1 217 ALA 3.89 0.51 1 219 GLN 2.85 0.71 1 221 VAL 0.64 -0.70 1 227 LYS 0.14 -0.42 1 228 ALA 0.63 -0.41 1 229 ARG 0.94 -1.28 1 230 VAL 1.27 4.47 1 stop_ save_