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 bmr26608_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.95 _LACS_plot.Line_1_terminator_val_y_1 -3.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.11 _LACS_plot.Line_2_terminator_val_x_2 7.47 _LACS_plot.Line_2_terminator_val_y_2 4.70 _LACS_plot.Y_axis_chem_shift_offset 0.66 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 HIS 5.64 5.78 0 59 HIS -1.69 2.31 0 10 GLU -0.06 -0.52 1 11 VAL 1.13 -0.25 1 12 LEU 0.09 -0.79 1 13 SER -1.41 -1.02 1 15 LEU -0.26 -1.51 1 16 ASP 5.35 4.20 1 20 LYS 1.60 0.74 1 21 ARG -0.53 -1.07 1 24 MET 1.83 0.00 1 26 THR -2.38 -2.88 1 27 ASP -2.24 -2.27 1 28 THR 2.49 -0.08 1 29 THR 5.09 4.07 1 30 ARG 0.49 -0.27 1 32 ASN 7.47 6.01 1 34 LEU 4.69 2.47 1 35 ALA 3.23 2.38 1 36 GLN 5.72 3.36 1 37 GLU 3.75 2.03 1 38 VAL 5.60 3.78 1 39 ILE 5.91 4.63 1 40 ASP 5.71 3.31 1 41 ASN 4.24 3.75 1 43 VAL 6.81 3.61 1 44 ASP 5.66 3.71 1 45 GLU 1.53 1.33 1 46 ALA 1.37 1.78 1 47 LEU 4.19 2.27 1 48 ALA -0.23 -0.71 1 50 HIS -1.32 1.57 1 51 ALA -2.33 -1.77 1 52 LYS 1.81 -0.44 1 53 SER -2.45 -1.47 1 54 VAL -3.63 -1.68 1 55 GLN -4.42 -2.60 1 56 VAL -1.25 -1.60 1 57 ILE -3.39 -2.30 1 58 LEU -2.42 -2.12 1 60 GLN 3.57 1.76 1 61 ASP 0.29 -2.18 1 62 ASN 4.10 2.27 1 63 SER -0.43 -1.45 1 64 LEU -5.52 -2.92 1 65 GLU -3.47 -3.48 1 66 VAL -1.44 -1.42 1 67 ILE -3.66 -1.02 1 68 ASP -6.10 -1.75 1 69 ASP 0.17 -2.15 1 71 ARG 2.41 1.91 1 73 MET 1.84 2.07 1 75 VAL -0.20 -2.25 1 76 ASP -0.24 -1.01 1 77 ILE 1.96 -1.47 1 80 GLU 0.45 0.86 1 81 GLU 0.16 -0.06 1 83 VAL -1.92 -3.00 1 86 VAL 3.92 2.04 1 87 GLU 5.42 2.81 1 88 LEU 4.23 2.47 1 89 ILE 4.65 3.00 1 90 LEU 1.97 -0.25 1 92 LYS -2.27 -2.26 1 94 HIS -0.03 0.71 1 95 ALA 0.34 -0.14 1 98 LYS 1.38 -0.06 1 99 PHE 0.75 -0.44 1 100 SER -0.01 -0.44 1 101 ASN 0.67 -0.17 1 102 LYS 1.78 0.14 1 103 ASN 0.75 -0.19 1 104 TYR 0.99 -0.07 1 105 GLN 0.81 -0.19 1 106 PHE 0.67 -0.30 1 107 SER 0.34 -0.27 1 110 LEU 0.64 -0.54 1 111 HIS -1.09 1.10 1 115 ILE 4.09 2.17 1 116 SER 4.66 2.08 1 117 VAL 5.38 3.43 1 118 VAL 5.49 2.40 1 119 ASN 2.41 1.75 1 120 ALA 2.58 1.69 1 121 LEU 0.25 -2.52 1 122 SER -0.90 0.90 1 123 THR 3.58 2.04 1 124 ARG -2.94 -0.92 1 125 VAL -3.34 -0.65 1 126 GLU -4.14 -1.63 1 127 VAL -3.04 -2.28 1 128 ARG -4.52 -2.35 1 129 VAL -4.97 -1.91 1 130 LYS -0.26 -1.55 1 131 ARG -1.09 0.37 1 132 ASP 3.44 1.34 1 133 ALA 3.12 0.72 1 134 ASN -5.35 -1.40 1 135 GLU -3.09 -2.66 1 136 TYR -4.62 -2.05 1 137 ARG -5.72 -1.95 1 138 MET -2.18 0.88 1 139 THR -4.30 -2.50 1 140 PHE -5.16 -1.39 1 141 ALA -2.38 -1.08 1 142 ASP 2.86 1.28 1 144 PHE -2.34 -1.76 1 145 LYS 4.67 2.20 1 146 ASP -1.41 -0.77 1 147 SER -1.65 -1.19 1 148 ASP -0.86 -0.52 1 149 LEU 1.97 0.61 1 150 GLU -5.34 -2.69 1 151 VAL 2.36 0.01 1 152 ILE 0.06 -0.80 1 154 THR -2.17 -1.48 1 155 VAL -5.44 -3.34 1 157 LYS 4.28 2.77 1 158 ARG 1.86 -0.78 1 159 ASN 0.66 -1.02 1 160 THR -4.67 -2.65 1 162 THR -0.97 0.38 1 163 SER -2.71 -2.62 1 164 VAL -0.91 -0.74 1 165 HIS -6.95 -4.14 1 166 PHE -5.66 -2.56 1 167 TRP -2.80 -0.56 1 169 ASP -0.50 -0.55 1 171 LYS 4.36 1.66 1 172 TYR 0.61 -0.30 1 173 PHE -5.75 -1.68 1 174 ASP 4.41 2.68 1 175 SER -2.73 -2.49 1 176 ALA 0.29 -1.00 1 177 LYS 0.47 -1.26 1 178 PHE 1.76 1.16 1 179 SER -0.02 -2.22 1 180 VAL 7.17 4.67 1 182 ARG 4.33 2.20 1 183 LEU 3.80 2.47 1 184 LYS 6.06 4.03 1 185 HIS 3.29 4.40 1 186 VAL 4.70 2.50 1 187 LEU 4.96 2.30 1 188 LYS 5.77 3.00 1 189 ALA 4.17 1.55 1 190 LYS 3.51 0.05 1 191 ALA 3.61 2.09 1 192 VAL 4.20 2.15 1 193 LEU 1.43 0.92 1 197 LEU -0.95 -0.42 1 198 SER 0.39 -1.22 1 199 VAL -1.84 -1.82 1 200 VAL -4.63 -2.31 1 201 PHE -5.75 -3.02 1 202 GLU -5.85 -3.27 1 203 ASP -3.70 -3.13 1 204 LYS 1.97 -0.06 1 205 ASN 3.25 2.98 1 206 THR -2.01 -1.17 1 208 GLU 0.22 0.06 1 209 ARG -1.86 -1.32 1 210 VAL -3.58 -2.45 1 211 GLU -5.79 -3.58 1 212 TRP -1.33 0.21 1 213 HIS -0.92 0.48 1 214 PHE -1.05 -1.13 1 215 GLU -0.76 -0.63 1 216 ASP -0.09 -0.41 1 218 LEU 0.64 -0.54 1 219 GLU 0.48 -0.37 1 220 HIS -0.09 0.57 1 221 HIS 1.11 2.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26608_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.95 _LACS_plot.Line_1_terminator_val_y_1 3.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.11 _LACS_plot.Line_2_terminator_val_x_2 7.47 _LACS_plot.Line_2_terminator_val_y_2 -2.77 _LACS_plot.Y_axis_chem_shift_offset 0.66 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 HIS 5.64 0.14 0 59 HIS -1.69 4.00 0 10 GLU -0.06 -0.46 1 11 VAL 1.13 -1.38 1 12 LEU 0.09 -0.88 1 13 SER -1.41 0.39 1 15 LEU -0.26 -1.25 1 16 ASP 5.35 -1.15 1 20 LYS 1.60 -0.86 1 21 ARG -0.53 -0.54 1 24 MET 1.83 -1.83 1 26 THR -2.38 -0.50 1 27 ASP -2.24 -0.03 1 28 THR 2.49 -2.57 1 29 THR 5.09 -1.02 1 30 ARG 0.49 -0.76 1 32 ASN 7.47 -1.46 1 34 LEU 4.69 -2.22 1 35 ALA 3.23 -0.85 1 36 GLN 5.72 -2.36 1 37 GLU 3.75 -1.72 1 38 VAL 5.60 -1.82 1 39 ILE 5.91 -1.28 1 40 ASP 5.71 -2.40 1 41 ASN 4.24 -0.49 1 43 VAL 6.81 -3.20 1 44 ASP 5.66 -1.95 1 45 GLU 1.53 -0.20 1 46 ALA 1.37 0.41 1 47 LEU 4.19 -1.92 1 48 ALA -0.23 -0.48 1 50 HIS -1.32 2.89 1 51 ALA -2.33 0.56 1 52 LYS 1.81 -2.25 1 53 SER -2.45 0.98 1 54 VAL -3.63 1.95 1 55 GLN -4.42 1.82 1 56 VAL -1.25 -0.35 1 57 ILE -3.39 1.09 1 58 LEU -2.42 0.30 1 60 GLN 3.57 -1.81 1 61 ASP 0.29 -2.47 1 62 ASN 4.10 -1.83 1 63 SER -0.43 -1.02 1 64 LEU -5.52 2.60 1 65 GLU -3.47 -0.01 1 66 VAL -1.44 0.02 1 67 ILE -3.66 2.64 1 68 ASP -6.10 4.35 1 69 ASP 0.17 -2.32 1 71 ARG 2.41 -0.50 1 73 MET 1.84 0.23 1 75 VAL -0.20 -2.05 1 76 ASP -0.24 -0.77 1 77 ILE 1.96 -3.43 1 80 GLU 0.45 0.41 1 81 GLU 0.16 -0.22 1 83 VAL -1.92 -1.08 1 86 VAL 3.92 -1.88 1 87 GLU 5.42 -2.61 1 88 LEU 4.23 -1.76 1 89 ILE 4.65 -1.65 1 90 LEU 1.97 -2.22 1 92 LYS -2.27 0.01 1 94 HIS -0.03 0.74 1 95 ALA 0.34 -0.48 1 98 LYS 1.38 -1.44 1 99 PHE 0.75 -1.19 1 100 SER -0.01 -0.43 1 101 ASN 0.67 -0.84 1 102 LYS 1.78 -1.64 1 103 ASN 0.75 -0.94 1 104 TYR 0.99 -1.06 1 105 GLN 0.81 -1.00 1 106 PHE 0.67 -0.97 1 107 SER 0.34 -0.61 1 110 LEU 0.64 -1.18 1 111 HIS -1.09 2.19 1 115 ILE 4.09 -1.92 1 116 SER 4.66 -2.58 1 117 VAL 5.38 -1.95 1 118 VAL 5.49 -3.09 1 119 ASN 2.41 -0.66 1 120 ALA 2.58 -0.89 1 121 LEU 0.25 -2.77 1 122 SER -0.90 1.80 1 123 THR 3.58 -1.54 1 124 ARG -2.94 2.02 1 125 VAL -3.34 2.69 1 126 GLU -4.14 2.51 1 127 VAL -3.04 0.76 1 128 ARG -4.52 2.17 1 129 VAL -4.97 3.06 1 130 LYS -0.26 -1.29 1 131 ARG -1.09 1.46 1 132 ASP 3.44 -2.10 1 133 ALA 3.12 -2.40 1 134 ASN -5.35 3.95 1 135 GLU -3.09 0.43 1 136 TYR -4.62 2.57 1 137 ARG -5.72 3.77 1 138 MET -2.18 3.06 1 139 THR -4.30 1.80 1 140 PHE -5.16 3.77 1 141 ALA -2.38 1.30 1 142 ASP 2.86 -1.58 1 144 PHE -2.34 0.58 1 145 LYS 4.67 -2.47 1 146 ASP -1.41 0.64 1 147 SER -1.65 0.46 1 148 ASP -0.86 0.34 1 149 LEU 1.97 -1.36 1 150 GLU -5.34 2.65 1 151 VAL 2.36 -2.35 1 152 ILE 0.06 -0.86 1 154 THR -2.17 0.69 1 155 VAL -5.44 2.10 1 157 LYS 4.28 -1.51 1 158 ARG 1.86 -2.64 1 159 ASN 0.66 -1.68 1 160 THR -4.67 2.02 1 162 THR -0.97 1.35 1 163 SER -2.71 0.09 1 164 VAL -0.91 0.17 1 165 HIS -6.95 2.81 1 166 PHE -5.66 3.10 1 167 TRP -2.80 2.24 1 169 ASP -0.50 -0.05 1 171 LYS 4.36 -2.70 1 172 TYR 0.61 -0.91 1 173 PHE -5.75 4.07 1 174 ASP 4.41 -1.73 1 175 SER -2.73 0.24 1 176 ALA 0.29 -1.29 1 177 LYS 0.47 -1.73 1 178 PHE 1.76 -0.60 1 179 SER -0.02 -2.20 1 180 VAL 7.17 -2.50 1 182 ARG 4.33 -2.13 1 183 LEU 3.80 -1.33 1 184 LYS 6.06 -2.03 1 185 HIS 3.29 1.11 1 186 VAL 4.70 -2.20 1 187 LEU 4.96 -2.66 1 188 LYS 5.77 -2.77 1 189 ALA 4.17 -2.62 1 190 LYS 3.51 -3.46 1 191 ALA 3.61 -1.52 1 192 VAL 4.20 -2.05 1 193 LEU 1.43 -0.51 1 197 LEU -0.95 0.53 1 198 SER 0.39 -1.61 1 199 VAL -1.84 0.02 1 200 VAL -4.63 2.32 1 201 PHE -5.75 2.73 1 202 GLU -5.85 2.58 1 203 ASP -3.70 0.57 1 204 LYS 1.97 -2.03 1 205 ASN 3.25 -0.27 1 206 THR -2.01 0.84 1 208 GLU 0.22 -0.16 1 209 ARG -1.86 0.54 1 210 VAL -3.58 1.13 1 211 GLU -5.79 2.21 1 212 TRP -1.33 1.54 1 213 HIS -0.92 1.40 1 214 PHE -1.05 -0.08 1 215 GLU -0.76 0.13 1 216 ASP -0.09 -0.32 1 218 LEU 0.64 -1.18 1 219 GLU 0.48 -0.85 1 220 HIS -0.09 0.66 1 221 HIS 1.11 0.89 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26608_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.95 _LACS_plot.Line_1_terminator_val_y_1 -2.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.01 _LACS_plot.Line_2_terminator_val_x_2 7.47 _LACS_plot.Line_2_terminator_val_y_2 2.18 _LACS_plot.Y_axis_chem_shift_offset 0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 221 HIS 1.11 5.35 0 10 GLU -0.06 -0.34 1 11 VAL 1.13 -0.10 1 12 LEU 0.09 -0.67 1 13 SER -1.41 0.40 1 15 LEU -0.26 0.58 1 20 LYS 1.60 1.18 1 24 MET 1.83 -0.61 1 26 THR -2.38 -2.87 1 27 ASP -2.24 -0.36 1 28 THR 2.49 0.70 1 29 THR 5.09 0.68 1 30 ARG 0.49 1.39 1 32 ASN 7.47 1.32 1 33 HIS 5.64 3.16 1 34 LEU 4.69 1.43 1 35 ALA 3.23 1.17 1 36 GLN 5.72 0.97 1 37 GLU 3.75 2.88 1 38 VAL 5.60 2.16 1 39 ILE 5.91 1.36 1 40 ASP 5.71 2.32 1 41 ASN 4.24 2.42 1 43 VAL 6.81 1.60 1 44 ASP 5.66 3.45 1 45 GLU 1.53 2.40 1 46 ALA 1.37 3.85 1 47 LEU 4.19 1.11 1 48 ALA -0.23 -0.85 1 50 HIS -1.32 0.78 1 51 ALA -2.33 -2.20 1 52 LYS 1.81 0.31 1 53 SER -2.45 -1.76 1 54 VAL -3.63 -2.23 1 55 GLN -4.42 -2.11 1 56 VAL -1.25 -3.10 1 57 ILE -3.39 -1.90 1 58 LEU -2.42 -2.87 1 59 HIS -1.69 3.68 1 60 GLN 3.57 -0.36 1 61 ASP 0.29 0.42 1 62 ASN 4.10 -2.71 1 63 SER -0.43 -3.41 1 64 LEU -5.52 -4.14 1 65 GLU -3.47 -3.14 1 67 ILE -3.66 -1.04 1 68 ASP -6.10 -1.56 1 69 ASP 0.17 0.94 1 71 ARG 2.41 1.40 1 75 VAL -0.20 -1.31 1 76 ASP -0.24 0.02 1 80 GLU 0.45 1.49 1 81 GLU 0.16 2.00 1 86 VAL 3.92 -1.39 1 87 GLU 5.42 2.72 1 88 LEU 4.23 0.71 1 89 ILE 4.65 0.42 1 90 LEU 1.97 0.26 1 94 HIS -0.03 1.18 1 95 ALA 0.34 0.17 1 98 LYS 1.38 -0.18 1 99 PHE 0.75 -0.14 1 100 SER -0.01 -0.51 1 101 ASN 0.67 0.16 1 102 LYS 1.78 -0.51 1 103 ASN 0.75 -0.22 1 104 TYR 0.99 -0.40 1 106 PHE 0.67 -1.65 1 107 SER 0.34 0.19 1 111 HIS -1.09 3.51 1 115 ILE 4.09 2.50 1 116 SER 4.66 2.21 1 117 VAL 5.38 -0.33 1 118 VAL 5.49 1.80 1 119 ASN 2.41 0.52 1 120 ALA 2.58 -1.14 1 121 LEU 0.25 -2.47 1 122 SER -0.90 0.66 1 123 THR 3.58 2.25 1 124 ARG -2.94 -1.35 1 125 VAL -3.34 -1.70 1 126 GLU -4.14 -1.49 1 127 VAL -3.04 -2.06 1 128 ARG -4.52 -0.23 1 129 VAL -4.97 -2.06 1 130 LYS -0.26 -1.53 1 131 ARG -1.09 -1.02 1 132 ASP 3.44 -1.57 1 133 ALA 3.12 -1.57 1 134 ASN -5.35 -3.39 1 135 GLU -3.09 -2.27 1 136 TYR -4.62 0.04 1 137 ARG -5.72 -1.33 1 138 MET -2.18 -2.64 1 139 THR -4.30 -2.51 1 140 PHE -5.16 -1.01 1 141 ALA -2.38 -0.17 1 142 ASP 2.86 -0.81 1 144 PHE -2.34 0.09 1 145 LYS 4.67 -1.05 1 146 ASP -1.41 -1.51 1 147 SER -1.65 -2.23 1 149 LEU 1.97 -1.22 1 150 GLU -5.34 -1.59 1 151 VAL 2.36 1.17 1 152 ILE 0.06 -0.44 1 154 THR -2.17 -0.09 1 155 VAL -5.44 -0.55 1 157 LYS 4.28 1.24 1 158 ARG 1.86 -1.04 1 159 ASN 0.66 -2.55 1 160 THR -4.67 -0.12 1 162 THR -0.97 -1.64 1 163 SER -2.71 -0.68 1 165 HIS -6.95 -0.84 1 166 PHE -5.66 -4.18 1 169 ASP -0.50 1.62 1 171 LYS 4.36 1.11 1 172 TYR 0.61 -1.47 1 173 PHE -5.75 0.45 1 174 ASP 4.41 1.28 1 175 SER -2.73 -1.59 1 176 ALA 0.29 -1.79 1 177 LYS 0.47 1.12 1 178 PHE 1.76 1.08 1 179 SER -0.02 2.18 1 180 VAL 7.17 1.61 1 182 ARG 4.33 3.48 1 183 LEU 3.80 0.41 1 184 LYS 6.06 1.48 1 185 HIS 3.29 4.15 1 186 VAL 4.70 1.24 1 187 LEU 4.96 0.10 1 188 LYS 5.77 1.33 1 189 ALA 4.17 3.59 1 190 LYS 3.51 0.63 1 191 ALA 3.61 1.25 1 192 VAL 4.20 1.13 1 193 LEU 1.43 -1.57 1 197 LEU -0.95 -0.90 1 198 SER 0.39 -1.18 1 199 VAL -1.84 -1.91 1 201 PHE -5.75 -3.08 1 202 GLU -5.85 -4.36 1 203 ASP -3.70 1.71 1 204 LYS 1.97 2.05 1 205 ASN 3.25 1.39 1 206 THR -2.01 1.59 1 208 GLU 0.22 -2.20 1 209 ARG -1.86 -1.49 1 210 VAL -3.58 -4.66 1 211 GLU -5.79 -1.59 1 212 TRP -1.33 -1.96 1 213 HIS -0.92 -1.28 1 214 PHE -1.05 -0.75 1 215 GLU -0.76 -0.57 1 216 ASP -0.09 0.36 1 218 LEU 0.64 -0.34 1 219 GLU 0.48 -0.35 1 220 HIS -0.09 0.91 1 stop_ save_