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 bmr5514_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.79 _LACS_plot.Line_1_terminator_val_y_1 -6.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.88 _LACS_plot.Line_2_terminator_val_x_2 6.12 _LACS_plot.Line_2_terminator_val_y_2 0.55 _LACS_plot.Y_axis_chem_shift_offset 3.71 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 227 ALA -6.12 -10.19 0 167 ILE 4.38 -5.52 0 11 VAL 1.38 -2.74 1 15 LEU -5.45 -4.94 1 16 VAL -7.56 -6.02 1 17 GLU -5.70 -4.94 1 18 LEU -2.39 -4.63 1 19 ASP -2.70 -3.99 1 21 ASP -3.64 -4.44 1 22 VAL -3.23 -5.18 1 23 ASN 2.88 -2.38 1 25 HIS -0.36 -3.34 1 26 LYS -1.44 -4.34 1 27 PHE -3.77 -5.58 1 28 SER -2.87 -4.61 1 29 VAL -7.04 -5.57 1 30 SER -3.19 -5.17 1 32 GLU -6.68 -6.15 1 34 GLU -5.56 -5.27 1 36 ASP -3.78 -5.58 1 37 ALA -0.36 -2.27 1 38 THR 6.13 0.78 1 42 LEU -4.65 -4.64 1 43 THR -1.71 -5.18 1 46 PHE -5.48 -5.38 1 47 ILE -3.48 -5.60 1 49 THR 3.62 -2.17 1 50 THR 0.63 -4.25 1 52 LYS -2.03 -5.21 1 59 THR 3.95 -1.16 1 60 LEU -1.81 -4.42 1 62 THR 3.03 -2.40 1 64 PHE -2.37 -4.26 1 69 GLN 2.48 -1.49 1 71 PHE 4.13 -0.63 1 73 ARG 1.35 -3.71 1 78 MET -1.95 -4.30 1 79 LYS 4.53 0.59 1 80 ARG 3.00 -2.79 1 81 HIS -2.61 -3.72 1 82 ASP 0.47 -5.91 1 83 PHE 1.01 -1.22 1 86 SER 3.50 -1.20 1 87 ALA -1.29 -4.33 1 90 GLU 5.61 1.39 1 92 TYR -5.81 -6.63 1 93 VAL -1.28 -4.88 1 95 GLU -3.82 -5.13 1 96 ARG 5.96 -0.82 1 97 THR 1.05 -2.14 1 99 SER -1.58 -5.76 1 100 PHE -2.19 -3.31 1 101 LYS 2.41 -1.60 1 102 ASP 2.87 -1.69 1 103 ASP -3.86 -4.39 1 105 ASN -6.33 -5.39 1 106 TYR -7.14 -8.79 1 107 LYS -2.39 -4.35 1 108 THR -3.25 -6.30 1 109 ARG -1.41 -3.02 1 110 ALA -9.48 -6.46 1 111 GLU -3.89 -4.58 1 112 VAL -0.93 -5.35 1 113 LYS -3.94 -5.06 1 114 PHE -4.58 -2.24 1 115 GLU -5.69 -4.55 1 117 ASP -0.60 -3.75 1 118 THR -1.19 -3.53 1 119 LEU -1.40 -6.09 1 120 VAL -3.83 -5.81 1 121 ASN -4.04 -5.80 1 122 ARG -1.26 -3.72 1 123 ILE -4.68 -3.33 1 124 GLU -4.75 -5.01 1 125 LEU -5.16 -4.63 1 126 LYS -4.34 -5.29 1 129 ASP -1.00 -4.02 1 131 LYS 2.58 0.65 1 132 GLU -1.48 -5.27 1 133 ASP -0.93 -5.55 1 135 ASN 2.43 -1.27 1 137 LEU 4.09 -2.35 1 139 HIS 3.06 -0.76 1 140 LYS -1.28 -5.04 1 141 LEU 0.97 -3.24 1 145 TYR -6.52 -6.20 1 151 TYR 2.34 -1.81 1 153 THR -3.83 -5.88 1 154 ALA -1.36 -3.42 1 158 LYS -1.31 -5.03 1 159 ASN 1.36 -2.70 1 161 ILE -7.03 -6.51 1 162 LYS -5.62 -5.34 1 163 ALA -6.62 -5.76 1 164 ASN -4.25 -3.66 1 170 ASN -0.60 -5.57 1 171 ILE 1.98 -1.32 1 172 GLU 0.10 -4.19 1 173 ASP -0.23 -3.98 1 175 SER -4.79 -5.13 1 176 VAL -5.62 -6.42 1 177 GLN -2.34 -4.27 1 178 LEU -4.97 -5.71 1 179 ALA 0.44 -2.04 1 180 ASP -0.50 -2.81 1 181 HIS -1.67 -4.24 1 182 TYR -6.81 -5.79 1 183 GLN -4.85 -4.40 1 184 GLN 2.63 -0.83 1 188 ILE -1.28 -4.19 1 190 ASP -4.09 -6.93 1 193 VAL -0.16 -4.81 1 194 LEU -0.87 -1.24 1 200 TYR -5.63 -5.21 1 206 ALA -9.79 -6.90 1 214 LYS -4.51 -4.85 1 215 ARG 0.83 -2.13 1 216 ASP -2.93 -2.24 1 217 HIS -6.13 -4.32 1 218 MET -0.01 -3.73 1 219 VAL -6.54 -5.33 1 220 LEU -7.22 -5.46 1 222 GLU -3.57 -5.33 1 224 VAL -3.62 -5.71 1 225 THR -1.96 -4.88 1 226 ALA -4.64 -4.78 1 230 THR -3.64 -2.87 1 231 HIS 0.22 -3.18 1 233 MET -1.11 -3.95 1 235 GLU -0.34 -3.75 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5514_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.79 _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 -5.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.88 _LACS_plot.Line_2_terminator_val_x_2 6.12 _LACS_plot.Line_2_terminator_val_y_2 -5.57 _LACS_plot.Y_axis_chem_shift_offset 3.71 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 227 ALA -6.12 -4.07 0 167 ILE 4.38 -9.90 0 11 VAL 1.38 -4.12 1 15 LEU -5.45 0.51 1 16 VAL -7.56 1.54 1 17 GLU -5.70 0.76 1 18 LEU -2.39 -2.24 1 19 ASP -2.70 -1.29 1 21 ASP -3.64 -0.80 1 22 VAL -3.23 -1.95 1 23 ASN 2.88 -5.26 1 25 HIS -0.36 -2.98 1 26 LYS -1.44 -2.90 1 27 PHE -3.77 -1.81 1 28 SER -2.87 -1.74 1 29 VAL -7.04 1.47 1 30 SER -3.19 -1.98 1 32 GLU -6.68 0.53 1 34 GLU -5.56 0.29 1 36 ASP -3.78 -1.80 1 37 ALA -0.36 -1.91 1 38 THR 6.13 -5.35 1 42 LEU -4.65 0.01 1 43 THR -1.71 -3.47 1 46 PHE -5.48 0.10 1 47 ILE -3.48 -2.12 1 49 THR 3.62 -5.79 1 50 THR 0.63 -4.88 1 52 LYS -2.03 -3.18 1 59 THR 3.95 -5.11 1 60 LEU -1.81 -2.61 1 62 THR 3.03 -5.43 1 64 PHE -2.37 -1.89 1 69 GLN 2.48 -3.97 1 71 PHE 4.13 -4.76 1 73 ARG 1.35 -5.06 1 78 MET -1.95 -2.35 1 79 LYS 4.53 -3.94 1 80 ARG 3.00 -5.79 1 81 HIS -2.61 -1.11 1 82 ASP 0.47 -6.38 1 83 PHE 1.01 -2.23 1 86 SER 3.50 -4.70 1 87 ALA -1.29 -3.04 1 90 GLU 5.61 -4.22 1 92 TYR -5.81 -0.82 1 93 VAL -1.28 -3.60 1 95 GLU -3.82 -1.31 1 96 ARG 5.96 -6.78 1 97 THR 1.05 -3.19 1 99 SER -1.58 -4.18 1 100 PHE -2.19 -1.12 1 101 LYS 2.41 -4.01 1 102 ASP 2.87 -4.56 1 103 ASP -3.86 -0.53 1 105 ASN -6.33 0.94 1 106 TYR -7.14 -1.65 1 107 LYS -2.39 -1.96 1 108 THR -3.25 -3.05 1 109 ARG -1.41 -1.61 1 110 ALA -9.48 3.02 1 111 GLU -3.89 -0.69 1 112 VAL -0.93 -4.42 1 113 LYS -3.94 -1.12 1 114 PHE -4.58 2.34 1 115 GLU -5.69 1.14 1 117 ASP -0.60 -3.15 1 118 THR -1.19 -2.34 1 119 LEU -1.40 -4.69 1 120 VAL -3.83 -1.98 1 121 ASN -4.04 -1.76 1 122 ARG -1.26 -2.46 1 123 ILE -4.68 1.35 1 124 GLU -4.75 -0.26 1 125 LEU -5.16 0.53 1 126 LYS -4.34 -0.95 1 129 ASP -1.00 -3.02 1 131 LYS 2.58 -1.93 1 132 GLU -1.48 -3.79 1 133 ASP -0.93 -4.62 1 135 ASN 2.43 -3.70 1 137 LEU 4.09 -6.44 1 139 HIS 3.06 -3.82 1 140 LYS -1.28 -3.76 1 141 LEU 0.97 -4.21 1 145 TYR -6.52 0.32 1 151 TYR 2.34 -4.15 1 153 THR -3.83 -2.05 1 154 ALA -1.36 -2.06 1 158 LYS -1.31 -3.72 1 159 ASN 1.36 -4.06 1 161 ILE -7.03 0.52 1 162 LYS -5.62 0.28 1 163 ALA -6.62 0.86 1 164 ASN -4.25 0.59 1 170 ASN -0.60 -4.97 1 171 ILE 1.98 -3.30 1 172 GLU 0.10 -4.29 1 173 ASP -0.23 -3.75 1 175 SER -4.79 -0.34 1 176 VAL -5.62 -0.80 1 177 GLN -2.34 -1.93 1 178 LEU -4.97 -0.74 1 179 ALA 0.44 -2.48 1 180 ASP -0.50 -2.31 1 181 HIS -1.67 -2.57 1 182 TYR -6.81 1.02 1 183 GLN -4.85 0.45 1 184 GLN 2.63 -3.46 1 188 ILE -1.28 -2.91 1 190 ASP -4.09 -2.84 1 193 VAL -0.16 -4.65 1 194 LEU -0.87 -0.37 1 200 TYR -5.63 0.42 1 206 ALA -9.79 2.89 1 214 LYS -4.51 -0.34 1 215 ARG 0.83 -2.96 1 216 ASP -2.93 0.69 1 217 HIS -6.13 1.81 1 218 MET -0.01 -3.72 1 219 VAL -6.54 1.21 1 220 LEU -7.22 1.76 1 222 GLU -3.57 -1.76 1 224 VAL -3.62 -2.09 1 225 THR -1.96 -2.92 1 226 ALA -4.64 -0.14 1 230 THR -3.64 0.77 1 231 HIS 0.22 -3.40 1 233 MET -1.11 -2.84 1 235 GLU -0.34 -3.41 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5514_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.48 _LACS_plot.Line_1_terminator_val_y_1 0.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 6.12 _LACS_plot.Line_2_terminator_val_y_2 -0.42 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 110 ALA -9.48 0.15 0 11 VAL 1.38 0.40 1 15 LEU -5.45 0.79 1 16 VAL -7.56 1.17 1 17 GLU -5.70 0.82 1 22 VAL -3.23 0.99 1 23 ASN 2.88 -0.26 1 25 HIS -0.36 0.01 1 26 LYS -1.44 0.86 1 27 PHE -3.77 0.56 1 28 SER -2.87 0.67 1 29 VAL -7.04 1.27 1 30 SER -3.19 0.67 1 34 GLU -5.56 0.11 1 38 THR 6.13 -0.09 1 43 THR -1.71 -0.36 1 47 ILE -3.48 0.78 1 49 THR 3.62 -0.29 1 50 THR 0.63 0.24 1 52 LYS -2.03 0.11 1 60 LEU -1.81 -0.05 1 62 THR 3.03 0.23 1 81 HIS -2.61 -0.61 1 82 ASP 0.47 -0.06 1 86 SER 3.50 -0.18 1 87 ALA -1.29 0.01 1 92 TYR -5.81 0.17 1 93 VAL -1.28 0.82 1 97 THR 1.05 0.28 1 99 SER -1.58 0.15 1 100 PHE -2.19 0.20 1 101 LYS 2.41 0.41 1 102 ASP 2.87 -0.25 1 103 ASP -3.86 0.23 1 106 TYR -7.14 0.18 1 107 LYS -2.39 1.07 1 108 THR -3.25 -0.26 1 112 VAL -0.93 1.09 1 113 LYS -3.94 -0.40 1 117 ASP -0.60 -0.19 1 118 THR -1.19 -0.28 1 119 LEU -1.40 -0.29 1 120 VAL -3.83 -0.23 1 122 ARG -1.26 0.35 1 123 ILE -4.68 0.79 1 124 GLU -4.75 0.82 1 125 LEU -5.16 0.68 1 126 LYS -4.34 1.05 1 132 GLU -1.48 0.22 1 133 ASP -0.93 -0.20 1 135 ASN 2.43 -0.30 1 137 LEU 4.09 -0.42 1 139 HIS 3.06 -0.38 1 140 LYS -1.28 -0.53 1 141 LEU 0.97 0.34 1 154 ALA -1.36 -0.23 1 159 ASN 1.36 -0.39 1 161 ILE -7.03 0.80 1 162 LYS -5.62 0.94 1 163 ALA -6.62 1.54 1 164 ASN -4.25 0.90 1 171 ILE -0.60 0.76 1 172 GLU 1.98 -0.11 1 173 ASP 0.10 -0.04 1 175 SER -0.23 -0.03 1 176 VAL -4.79 0.57 1 178 LEU -2.34 0.62 1 179 ALA -4.97 0.52 1 180 ASP 0.44 -0.02 1 181 HIS -0.50 0.22 1 182 TYR -1.67 0.05 1 184 GLN -4.85 0.92 1 188 ILE 2.63 0.15 1 190 ASP -1.28 -0.73 1 220 LEU -6.54 0.65 1 225 THR -3.62 0.78 1 226 ALA -1.96 0.39 1 227 ALA -4.64 0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5514_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.79 _LACS_plot.Line_1_terminator_val_y_1 -4.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -5.56 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -5.19 _LACS_plot.Line_2_terminator_val_x_2 6.12 _LACS_plot.Line_2_terminator_val_y_2 -6.26 _LACS_plot.Y_axis_chem_shift_offset 5.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 214 LYS -9.79 -7.54 0 179 ALA -4.97 -10.54 0 11 VAL 1.38 -2.85 1 15 LEU -5.45 -7.89 1 16 VAL -7.56 -5.23 1 17 GLU -5.70 -5.63 1 18 LEU -2.39 -5.78 1 19 ASP -2.70 -4.47 1 21 ASP -3.64 -2.62 1 22 VAL -3.23 -5.87 1 23 ASN 2.88 -4.41 1 25 HIS -0.36 -2.79 1 26 LYS -1.44 -5.73 1 27 PHE -3.77 -7.09 1 28 SER -2.87 -1.32 1 29 VAL -7.04 -3.63 1 30 SER -3.19 -3.18 1 32 GLU -6.68 -2.46 1 34 GLU -5.56 -3.08 1 36 ASP -3.78 -2.11 1 37 ALA -0.36 -9.55 1 38 THR 6.13 -7.48 1 43 THR -1.71 -4.17 1 47 ILE -3.48 -4.98 1 49 THR 3.62 -6.43 1 50 THR 0.63 -4.89 1 52 LYS -2.03 -3.06 1 59 THR 3.95 -8.54 1 60 LEU -1.81 -6.19 1 62 THR 3.03 -4.63 1 64 PHE -2.37 -4.84 1 71 PHE 4.13 -2.48 1 78 MET -1.95 -5.12 1 79 LYS 4.53 -6.63 1 80 ARG 3.00 -8.86 1 81 HIS -2.61 -2.18 1 82 ASP 0.47 -4.42 1 83 PHE 1.01 -5.07 1 86 SER 3.50 -7.89 1 87 ALA -1.29 -6.03 1 92 TYR -5.81 -4.71 1 93 VAL -1.28 -3.70 1 97 THR 1.05 -4.19 1 99 SER -1.58 -3.55 1 100 PHE -2.19 -4.83 1 101 LYS 2.41 -5.64 1 102 ASP 2.87 -7.61 1 103 ASP -3.86 -4.62 1 105 ASN -6.33 -0.52 1 106 TYR -7.14 -5.66 1 107 LYS -2.39 -6.28 1 108 THR -3.25 -5.91 1 109 ARG -1.41 -4.25 1 110 ALA -9.48 -5.38 1 111 GLU -3.89 -7.03 1 112 VAL -0.93 -4.90 1 113 LYS -3.94 -3.37 1 114 PHE -4.58 -4.43 1 115 GLU -5.69 -4.45 1 117 ASP -0.60 -4.72 1 118 THR -1.19 -4.09 1 119 LEU -1.40 -3.14 1 120 VAL -3.83 -4.97 1 121 ASN -4.04 -3.41 1 122 ARG -1.26 -4.70 1 123 ILE -4.68 -7.17 1 124 GLU -4.75 -6.54 1 125 LEU -5.16 -6.36 1 126 LYS -4.34 -5.36 1 132 GLU -1.48 -5.84 1 133 ASP -0.93 -5.96 1 135 ASN 2.43 -3.87 1 137 LEU 4.09 -8.18 1 139 HIS 3.06 -2.32 1 140 LYS -1.28 -6.09 1 141 LEU 0.97 -7.53 1 145 TYR -6.52 -6.18 1 154 ALA -1.36 -4.47 1 158 LYS -1.31 -6.45 1 159 ASN 1.36 -4.95 1 161 ILE -7.03 -3.71 1 162 LYS -5.62 -5.35 1 163 ALA -6.62 -6.57 1 164 ASN -4.25 -5.40 1 167 ILE 4.38 -6.35 1 171 ILE -0.60 -5.61 1 172 GLU 1.98 -7.89 1 173 ASP 0.10 -6.16 1 175 SER -0.23 -4.09 1 176 VAL -4.79 -4.34 1 177 GLN -5.62 -5.21 1 178 LEU -2.34 -6.27 1 180 ASP 0.44 -7.93 1 181 HIS -0.50 -3.22 1 182 TYR -1.67 -3.40 1 183 GLN -6.81 -4.67 1 184 GLN -4.85 -5.70 1 188 ILE 2.63 -7.48 1 190 ASP -1.28 -4.03 1 193 VAL -4.09 -7.11 1 194 LEU -0.16 -10.11 1 200 TYR -0.87 -4.93 1 215 ARG -4.51 -4.87 1 216 ASP 0.83 -6.41 1 217 HIS -2.93 -4.85 1 218 MET -6.13 -0.17 1 219 VAL -0.01 -4.34 1 220 LEU -6.54 -4.91 1 224 VAL -3.57 -6.79 1 225 THR -3.62 -3.94 1 226 ALA -1.96 -4.21 1 227 ALA -4.64 -7.56 1 231 HIS -3.64 -3.27 1 235 GLU -1.11 -4.75 1 236 LEU -0.34 -7.63 1 stop_ save_