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 bmr27627_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.76 _LACS_plot.Line_1_terminator_val_y_1 -3.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.04 _LACS_plot.Line_2_terminator_val_x_2 7.45 _LACS_plot.Line_2_terminator_val_y_2 4.80 _LACS_plot.Y_axis_chem_shift_offset 0.60 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 133 LEU -7.42 -2.19 0 95 ARG -8.76 -2.98 0 11 ARG 1.28 0.08 1 12 LEU 1.29 -0.07 1 13 GLU 0.79 0.41 1 14 ASN 2.22 1.81 1 15 ARG -1.54 -1.78 1 16 ARG -2.77 -2.35 1 17 SER 0.51 -0.48 1 19 LYS 1.67 -0.09 1 21 ILE -2.77 -3.25 1 22 TRP -5.26 -3.31 1 23 LEU -4.20 -3.16 1 24 ASN -2.04 -2.33 1 25 SER 3.56 2.42 1 26 GLN 1.13 -0.62 1 27 PHE 5.80 2.04 1 28 ARG -1.76 -1.87 1 29 GLU -3.17 -1.08 1 30 GLU -4.71 -1.87 1 31 GLU 0.07 0.06 1 32 ILE -4.20 -1.27 1 33 THR 1.23 0.00 1 34 LEU -4.99 -3.15 1 35 TYR -0.79 -0.92 1 37 ASP -0.26 0.79 1 38 LYS 3.94 2.33 1 39 HIS 1.23 0.27 1 42 VAL 7.46 5.27 1 43 ARG 4.89 3.77 1 44 ASP 4.16 3.38 1 45 LEU 3.41 2.86 1 46 LEU 5.60 2.51 1 47 GLU 3.57 2.22 1 48 GLU 3.03 1.56 1 50 LYS 4.53 3.14 1 51 LYS 2.11 1.14 1 52 ALA -1.41 0.10 1 53 VAL -4.32 -3.29 1 54 GLU -1.31 -1.69 1 55 LEU 0.70 -0.68 1 57 GLU 1.16 0.53 1 58 LYS 1.90 -0.52 1 59 ALA -1.31 -1.49 1 60 SER 2.03 2.18 1 62 LYS -2.81 -1.86 1 63 LEU -4.59 -2.29 1 64 ARG -4.05 -1.97 1 65 LEU -3.81 -2.01 1 66 LEU -4.07 -1.89 1 67 GLU -5.65 -2.54 1 68 ILE -3.58 -1.73 1 69 VAL -3.27 -1.05 1 70 SER 4.32 0.25 1 71 TYR 5.79 1.36 1 72 LYS -2.93 -2.14 1 73 ILE 1.79 0.64 1 74 ILE -0.38 -1.03 1 76 VAL -0.64 -1.19 1 77 HIS -0.06 1.29 1 78 GLN -0.57 -0.81 1 79 GLU 3.62 3.13 1 80 ASP 0.51 -0.73 1 81 GLU -0.14 -0.27 1 82 LEU 1.34 -0.09 1 83 LEU 4.65 1.67 1 84 GLU 1.55 0.75 1 86 LEU 1.94 -0.91 1 87 SER 0.74 0.51 1 89 ALA 0.80 0.05 1 94 PHE -0.97 -0.86 1 96 ILE -2.28 -1.62 1 97 GLU -6.29 -3.50 1 98 GLU -2.56 -1.80 1 99 ILE 2.47 1.99 1 101 LEU 4.08 2.99 1 102 ASP 2.20 0.75 1 103 GLN 0.38 -1.23 1 104 VAL 3.63 2.49 1 105 ASP -0.68 -1.11 1 106 ILE 0.18 -0.93 1 107 ASP -0.54 -1.22 1 108 LYS 3.59 1.84 1 109 GLU 0.79 0.76 1 110 ASN -2.58 -0.18 1 111 GLU -6.80 -2.64 1 112 MET -5.23 -1.11 1 113 LEU -0.56 -2.34 1 114 VAL -4.76 -3.55 1 115 THR -0.49 -1.15 1 116 VAL -2.21 -3.13 1 117 ALA -5.66 -2.20 1 118 HIS -1.31 -0.85 1 119 PHE -2.66 -1.92 1 122 GLU -4.07 -3.10 1 123 VAL 4.37 1.40 1 124 PHE 1.15 -0.95 1 126 THR -2.39 -1.79 1 127 PHE -2.13 -2.10 1 129 ILE -0.75 -0.45 1 131 PHE -1.02 -1.27 1 132 LEU -2.27 -1.51 1 134 ARG -1.08 -0.52 1 135 ILE -3.49 -1.15 1 136 HIS -4.85 -1.71 1 137 GLN 3.58 1.65 1 139 GLU -1.36 -1.73 1 140 HIS 2.56 3.71 1 141 PHE 6.26 5.15 1 142 ARG 5.28 3.26 1 143 GLU 2.91 1.36 1 144 VAL 6.38 3.08 1 145 MET 4.33 4.44 1 146 LYS 4.34 2.63 1 147 ARG 4.89 3.51 1 148 ILE 5.41 4.57 1 149 GLN 6.43 3.53 1 150 SER 2.99 2.08 1 151 LEU 2.76 1.84 1 152 LEU 0.15 -0.63 1 153 ASP 2.23 -0.03 1 154 ILE -2.35 -1.95 1 155 GLN 1.26 0.22 1 156 GLU 4.68 3.71 1 157 LYS 4.23 1.90 1 158 GLU 1.84 1.10 1 159 PHE 2.81 1.41 1 160 GLU 2.10 0.99 1 161 LYS 0.41 -0.90 1 162 PHE 1.19 -0.04 1 163 LYS -3.72 -1.95 1 164 PHE -4.34 -1.28 1 165 ALA -5.43 -2.95 1 166 ILE 1.58 0.52 1 167 VAL 3.08 -0.07 1 168 MET -2.81 -1.58 1 171 ARG -1.38 -1.00 1 172 HIS -5.06 -0.66 1 173 GLN -4.31 -2.46 1 174 TYR 3.04 2.11 1 175 ILE -1.94 -1.05 1 176 ASN 1.38 -0.95 1 177 GLU 4.13 2.74 1 178 ASP 0.90 1.29 1 179 GLU -3.65 -0.68 1 180 TYR 2.22 1.80 1 181 GLU -4.16 -3.63 1 182 VAL 4.65 2.79 1 183 ASN -2.53 -2.75 1 184 LEU 6.46 3.09 1 185 LYS 3.99 1.82 1 186 ASP 3.56 1.85 1 187 PHE -0.64 -0.75 1 188 GLU -0.72 -0.25 1 200 TRP -6.13 -4.22 1 201 LEU -2.57 -1.76 1 203 LEU -0.92 -3.19 1 204 ASP -3.51 -3.33 1 205 HIS -0.51 -0.92 1 207 ASN 1.27 -1.61 1 208 LYS 0.47 -0.58 1 209 ALA -0.65 -2.33 1 216 THR 0.56 -0.13 1 217 TYR 0.79 -0.11 1 218 LEU 0.38 -0.45 1 219 GLU 0.17 -0.22 1 220 LYS 0.63 -0.32 1 221 ALA 0.18 -0.47 1 222 ILE 0.32 -0.50 1 223 LYS 0.22 -0.64 1 224 ILE 0.32 -0.52 1 225 HIS -0.78 0.42 1 226 ASN 0.59 1.41 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27627_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.76 _LACS_plot.Line_1_terminator_val_y_1 4.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.04 _LACS_plot.Line_2_terminator_val_x_2 7.45 _LACS_plot.Line_2_terminator_val_y_2 -2.65 _LACS_plot.Y_axis_chem_shift_offset 0.60 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 133 LEU -7.42 5.23 0 95 ARG -8.76 5.78 0 11 ARG 1.28 -1.20 1 12 LEU 1.29 -1.36 1 13 GLU 0.79 -0.38 1 14 ASN 2.22 -0.41 1 15 ARG -1.54 -0.24 1 16 ARG -2.77 0.42 1 17 SER 0.51 -0.99 1 19 LYS 1.67 -1.76 1 21 ILE -2.77 -0.48 1 22 TRP -5.26 1.95 1 23 LEU -4.20 1.04 1 24 ASN -2.04 -0.29 1 25 SER 3.56 -1.14 1 26 GLN 1.13 -1.75 1 27 PHE 5.80 -3.76 1 28 ARG -1.76 -0.11 1 29 GLU -3.17 2.09 1 30 GLU -4.71 2.84 1 31 GLU 0.07 -0.01 1 32 ILE -4.20 2.93 1 33 THR 1.23 -1.23 1 34 LEU -4.99 1.84 1 35 TYR -0.79 -0.13 1 37 ASP -0.26 1.05 1 38 LYS 3.94 -1.61 1 39 HIS 1.23 -0.96 1 42 VAL 7.46 -2.19 1 43 ARG 4.89 -1.12 1 44 ASP 4.16 -0.78 1 45 LEU 3.41 -0.55 1 46 LEU 5.60 -3.09 1 47 GLU 3.57 -1.35 1 48 GLU 3.03 -1.47 1 50 LYS 4.53 -1.39 1 51 LYS 2.11 -0.97 1 52 ALA -1.41 1.51 1 53 VAL -4.32 1.03 1 54 GLU -1.31 -0.38 1 55 LEU 0.70 -1.38 1 57 GLU 1.16 -0.63 1 58 LYS 1.90 -2.42 1 59 ALA -1.31 -0.18 1 60 SER 2.03 0.15 1 62 LYS -2.81 0.95 1 63 LEU -4.59 2.30 1 64 ARG -4.05 2.08 1 65 LEU -3.81 1.80 1 66 LEU -4.07 2.18 1 67 GLU -5.65 3.11 1 68 ILE -3.58 1.85 1 69 VAL -3.27 2.22 1 70 SER 4.32 -4.07 1 71 TYR 5.79 -4.43 1 72 LYS -2.93 0.79 1 73 ILE 1.79 -1.15 1 74 ILE -0.38 -0.65 1 76 VAL -0.64 -0.55 1 77 HIS -0.06 1.35 1 78 GLN -0.57 -0.24 1 79 GLU 3.62 -0.49 1 80 ASP 0.51 -1.24 1 81 GLU -0.14 -0.13 1 82 LEU 1.34 -1.43 1 83 LEU 4.65 -2.98 1 84 GLU 1.55 -0.80 1 86 LEU 1.94 -2.85 1 87 SER 0.74 -0.23 1 89 ALA 0.80 -0.75 1 94 PHE -0.97 0.11 1 96 ILE -2.28 0.66 1 97 GLU -6.29 2.79 1 98 GLU -2.56 0.76 1 99 ILE 2.47 -0.48 1 101 LEU 4.08 -1.09 1 102 ASP 2.20 -1.45 1 103 GLN 0.38 -1.61 1 104 VAL 3.63 -1.14 1 105 ASP -0.68 -0.43 1 106 ILE 0.18 -1.11 1 107 ASP -0.54 -0.68 1 108 LYS 3.59 -1.75 1 109 GLU 0.79 -0.03 1 110 ASN -2.58 2.40 1 111 GLU -6.80 4.16 1 112 MET -5.23 4.12 1 113 LEU -0.56 -1.78 1 114 VAL -4.76 1.21 1 115 THR -0.49 -0.66 1 116 VAL -2.21 -0.92 1 117 ALA -5.66 3.46 1 118 HIS -1.31 0.46 1 119 PHE -2.66 0.74 1 122 GLU -4.07 0.97 1 123 VAL 4.37 -2.97 1 124 PHE 1.15 -2.10 1 126 THR -2.39 0.60 1 127 PHE -2.13 0.03 1 129 ILE -0.75 0.30 1 131 PHE -1.02 -0.25 1 132 LEU -2.27 0.76 1 134 ARG -1.08 0.56 1 135 ILE -3.49 2.34 1 136 HIS -4.85 3.14 1 137 GLN 3.58 -1.93 1 139 GLU -1.36 -0.37 1 140 HIS 2.56 1.15 1 141 PHE 6.26 -1.11 1 142 ARG 5.28 -2.02 1 143 GLU 2.91 -1.55 1 144 VAL 6.38 -3.30 1 145 MET 4.33 0.11 1 146 LYS 4.34 -1.71 1 147 ARG 4.89 -1.38 1 148 ILE 5.41 -0.84 1 149 GLN 6.43 -2.90 1 150 SER 2.99 -0.91 1 151 LEU 2.76 -0.92 1 152 LEU 0.15 -0.78 1 153 ASP 2.23 -2.26 1 154 ILE -2.35 0.40 1 155 GLN 1.26 -1.04 1 156 GLU 4.68 -0.97 1 157 LYS 4.23 -2.33 1 158 GLU 1.84 -0.74 1 159 PHE 2.81 -1.40 1 160 GLU 2.10 -1.11 1 161 LYS 0.41 -1.31 1 162 PHE 1.19 -1.23 1 163 LYS -3.72 1.77 1 164 PHE -4.34 3.06 1 165 ALA -5.43 2.48 1 166 ILE 1.58 -1.06 1 167 VAL 3.08 -3.15 1 168 MET -2.81 1.23 1 171 ARG -1.38 0.38 1 172 HIS -5.06 4.40 1 173 GLN -4.31 1.85 1 174 TYR 3.04 -0.93 1 175 ILE -1.94 0.89 1 176 ASN 1.38 -2.33 1 177 GLU 4.13 -1.39 1 178 ASP 0.90 0.39 1 179 GLU -3.65 2.97 1 180 TYR 2.22 -0.42 1 181 GLU -4.16 0.53 1 182 VAL 4.65 -1.86 1 183 ASN -2.53 -0.22 1 184 LEU 6.46 -3.37 1 185 LYS 3.99 -2.17 1 186 ASP 3.56 -1.71 1 187 PHE -0.64 -0.11 1 188 GLU -0.72 0.47 1 200 TRP -6.13 1.91 1 201 LEU -2.57 0.81 1 203 LEU -0.92 -2.27 1 204 ASP -3.51 0.18 1 205 HIS -0.51 -0.41 1 207 ASN 1.27 -2.88 1 208 LYS 0.47 -1.05 1 209 ALA -0.65 -1.68 1 216 THR 0.56 -0.69 1 217 TYR 0.79 -0.90 1 218 LEU 0.38 -0.83 1 219 GLU 0.17 -0.39 1 220 LYS 0.63 -0.95 1 221 ALA 0.18 -0.65 1 222 ILE 0.32 -0.82 1 223 LYS 0.22 -0.86 1 224 ILE 0.32 -0.84 1 225 HIS -0.78 1.20 1 226 ASN 0.59 0.82 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27627_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.76 _LACS_plot.Line_1_terminator_val_y_1 -3.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 7.45 _LACS_plot.Line_2_terminator_val_y_2 2.13 _LACS_plot.Y_axis_chem_shift_offset 0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 TYR 5.79 -3.45 0 11 ARG 1.28 0.39 1 12 LEU 1.29 0.16 1 13 GLU 0.79 -0.59 1 14 ASN 2.22 -0.61 1 15 ARG -1.54 -0.66 1 16 ARG -2.77 -1.53 1 17 SER 0.51 0.58 1 19 LYS 1.67 0.18 1 21 ILE -2.77 -1.46 1 22 TRP -5.26 -2.34 1 23 LEU -4.20 -4.22 1 24 ASN -2.04 2.33 1 25 SER 3.56 0.54 1 26 GLN 1.13 -1.16 1 27 PHE 5.80 -2.24 1 28 ARG -1.76 -0.32 1 29 GLU -3.17 0.12 1 30 GLU -4.71 -1.77 1 31 GLU 0.07 -0.72 1 32 ILE -4.20 -3.10 1 33 THR 1.23 -2.23 1 34 LEU -4.99 -2.82 1 37 ASP -0.26 1.38 1 38 LYS 3.94 0.70 1 39 HIS 1.23 1.00 1 42 VAL 7.46 1.63 1 43 ARG 4.89 1.00 1 44 ASP 4.16 2.89 1 45 LEU 3.41 0.31 1 46 LEU 5.60 1.73 1 47 GLU 3.57 3.36 1 48 GLU 3.03 2.38 1 50 LYS 4.53 0.44 1 51 LYS 2.11 0.57 1 52 ALA -1.41 -0.26 1 53 VAL -4.32 -1.87 1 54 GLU -1.31 -0.38 1 55 LEU 0.70 0.47 1 57 GLU 1.16 0.54 1 58 LYS 1.90 -1.07 1 59 ALA -1.31 -0.80 1 60 SER 2.03 1.71 1 62 LYS -2.81 -0.30 1 63 LEU -4.59 -1.77 1 64 ARG -4.05 -4.22 1 65 LEU -3.81 -3.53 1 66 LEU -4.07 -2.23 1 67 GLU -5.65 -2.21 1 68 ILE -3.58 -1.42 1 69 VAL -3.27 -0.29 1 70 SER 4.32 -0.07 1 72 LYS -2.93 -1.26 1 73 ILE 1.79 -0.05 1 74 ILE -0.38 0.20 1 76 VAL -0.64 0.41 1 77 HIS -0.06 0.27 1 78 GLN -0.57 1.54 1 79 GLU 3.62 -0.29 1 80 ASP 0.51 0.12 1 81 GLU -0.14 -0.09 1 82 LEU 1.34 1.10 1 83 LEU 4.65 2.35 1 84 GLU 1.55 0.16 1 86 LEU 1.94 -0.25 1 94 PHE -0.97 -2.10 1 95 ARG -8.76 -2.78 1 96 ILE -2.28 -3.42 1 97 GLU -6.29 -2.67 1 98 GLU -2.56 0.19 1 101 LEU 4.08 1.05 1 102 ASP 2.20 -0.78 1 103 GLN 0.38 -1.04 1 104 VAL 3.63 -0.63 1 105 ASP -0.68 -1.55 1 106 ILE 0.18 -0.81 1 107 ASP -0.54 0.46 1 108 LYS 3.59 1.03 1 109 GLU 0.79 0.85 1 110 ASN -2.58 -2.12 1 111 GLU -6.80 -2.58 1 112 MET -5.23 -2.93 1 113 LEU -0.56 -1.37 1 114 VAL -4.76 -1.82 1 115 THR -0.49 -1.66 1 116 VAL -2.21 0.75 1 117 ALA -5.66 -2.83 1 118 HIS -1.31 0.72 1 122 GLU -4.07 1.35 1 124 PHE 1.15 1.63 1 126 THR -2.39 0.22 1 127 PHE -2.13 -2.19 1 131 PHE -1.02 -3.06 1 132 LEU -2.27 -1.14 1 133 LEU -7.42 -3.38 1 134 ARG -1.08 -1.37 1 135 ILE -3.49 -3.02 1 136 HIS -4.85 -0.30 1 137 GLN 3.58 1.28 1 139 GLU -1.36 -1.55 1 140 HIS 2.56 3.96 1 142 ARG 5.28 3.94 1 143 GLU 2.91 3.10 1 144 VAL 6.38 2.18 1 145 MET 4.33 1.12 1 146 LYS 4.34 2.23 1 147 ARG 4.89 3.30 1 148 ILE 5.41 0.13 1 149 GLN 6.43 2.36 1 150 SER 2.99 1.54 1 151 LEU 2.76 0.05 1 152 LEU 0.15 -0.97 1 153 ASP 2.23 -1.62 1 154 ILE -2.35 -0.23 1 156 GLU 4.68 1.44 1 157 LYS 4.23 2.12 1 158 GLU 1.84 2.56 1 159 PHE 2.81 2.09 1 160 GLU 2.10 -0.10 1 161 LYS 0.41 0.64 1 162 PHE 1.19 -0.61 1 163 LYS -3.72 -2.21 1 164 PHE -4.34 -1.44 1 165 ALA -5.43 -2.41 1 166 ILE 1.58 -1.02 1 167 VAL 3.08 -1.64 1 171 ARG -1.38 -3.28 1 172 HIS -5.06 -1.05 1 173 GLN -4.31 -0.76 1 174 TYR 3.04 0.61 1 175 ILE -1.94 -0.82 1 176 ASN 1.38 -0.12 1 177 GLU 4.13 -1.04 1 178 ASP 0.90 1.16 1 179 GLU -3.65 -0.35 1 180 TYR 2.22 -2.63 1 181 GLU -4.16 -1.95 1 182 VAL 4.65 -0.01 1 183 ASN -2.53 1.67 1 184 LEU 6.46 1.77 1 185 LYS 3.99 2.25 1 186 ASP 3.56 -0.67 1 187 PHE -0.64 -1.28 1 200 TRP -6.13 -2.81 1 201 LEU -2.57 -3.42 1 203 LEU -0.92 -4.14 1 204 ASP -3.51 1.45 1 207 ASN 1.27 -1.40 1 208 LYS 0.47 -1.01 1 216 THR 0.56 -0.67 1 217 TYR 0.79 -0.48 1 218 LEU 0.38 -1.12 1 219 GLU 0.17 0.32 1 220 LYS 0.63 -0.42 1 221 ALA 0.18 -0.28 1 222 ILE 0.32 -0.36 1 223 LYS 0.22 -0.61 1 224 ILE 0.32 -0.63 1 225 HIS -0.78 -0.06 1 stop_ save_