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 bmr15070_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.30 _LACS_plot.Line_1_terminator_val_y_1 -5.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.03 _LACS_plot.Line_2_terminator_val_x_2 9.88 _LACS_plot.Line_2_terminator_val_y_2 4.08 _LACS_plot.Y_axis_chem_shift_offset 2.72 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 THR 9.88 0.31 0 148 GLN -1.62 0.59 0 129 HIS 2.55 3.65 0 73 LEU 2.99 -5.37 0 10 VAL 4.77 0.60 1 11 GLU 3.30 0.02 1 12 LEU 3.48 -0.04 1 13 LYS 4.37 0.42 1 15 SER 3.86 0.52 1 16 THR 0.98 -2.04 1 17 ALA 3.90 0.39 1 18 GLN 4.18 -0.12 1 19 ALA 2.21 -0.89 1 20 HIS 3.35 0.70 1 21 GLU -1.28 -1.78 1 22 LYS 2.06 -1.44 1 23 ALA 1.60 -1.34 1 24 GLU 0.97 -2.04 1 25 HIS 0.00 -2.61 1 26 SER -1.07 -2.94 1 28 PHE 3.41 1.32 1 29 MET 3.93 -2.40 1 30 SER 3.88 -0.04 1 31 ASP 5.20 0.24 1 33 LEU 3.85 -0.53 1 34 LYS 0.07 -3.34 1 36 ARG 0.40 -2.64 1 37 LEU -0.48 -5.82 1 39 VAL 4.34 0.23 1 40 ALA 4.58 0.22 1 41 GLU 4.99 0.12 1 42 PHE 1.63 -0.14 1 43 THR 3.90 2.51 1 45 LEU 5.53 0.62 1 46 GLN 2.13 -2.07 1 47 GLU 3.00 -0.09 1 48 GLN 4.22 -0.68 1 49 ALA 3.56 -2.11 1 50 TRP 8.35 3.26 1 51 LEU 3.85 0.00 1 52 PHE 2.50 -1.42 1 53 TYR 9.45 3.91 1 55 ALA 1.63 -0.59 1 56 LEU 3.35 -0.02 1 57 GLU 6.22 0.65 1 58 GLN 4.28 0.30 1 59 ALA 5.17 0.54 1 60 VAL 5.53 1.35 1 61 ASP 4.23 0.07 1 62 ALA 2.65 -0.45 1 63 VAL 5.30 1.24 1 64 ARG 5.17 1.41 1 65 ALA 3.19 -0.83 1 66 SER -0.25 -1.72 1 68 PHE -1.00 -2.84 1 69 ALA 1.03 -3.62 1 70 GLU 4.88 1.68 1 71 SER 2.27 -1.51 1 72 LEU 1.30 -1.15 1 74 ASP -2.45 -3.63 1 76 ALA 2.44 -1.36 1 77 LEU 2.02 -2.81 1 78 ASN 2.06 -1.78 1 80 ALA 6.33 2.68 1 81 GLU 3.51 -0.30 1 82 VAL 4.49 0.61 1 83 LEU 2.83 -0.02 1 84 ALA 4.01 -0.42 1 85 ARG 4.67 0.80 1 86 ASP 5.26 1.05 1 87 LEU 4.13 -0.21 1 88 ASP 4.15 -0.13 1 89 LYS 3.23 -0.94 1 90 LEU 2.69 -0.11 1 91 ASN -0.01 -1.32 1 93 SER -1.65 -4.05 1 94 SER -0.22 -2.83 1 95 GLU 2.60 -1.29 1 96 TRP 1.30 -2.60 1 97 ARG 4.56 0.08 1 98 SER 0.44 -2.40 1 99 ARG -0.41 -3.09 1 101 THR -2.88 -4.42 1 102 ALA -1.70 -3.56 1 103 SER 2.86 -1.33 1 105 ALA 2.04 -0.69 1 106 VAL 5.41 1.65 1 107 ILE 5.19 0.76 1 108 ASP 3.62 0.13 1 109 TYR -0.52 -2.97 1 110 VAL 7.08 1.91 1 114 GLU 3.81 0.03 1 115 GLU 2.98 -0.12 1 116 ILE 6.07 1.67 1 117 ARG 4.28 0.47 1 118 ASP 4.23 0.02 1 119 ASN 0.12 -3.04 1 120 VAL 4.33 -2.41 1 121 ASP -1.13 -4.96 1 124 ALA 2.09 -0.77 1 125 LEU 3.77 -1.71 1 126 VAL 7.01 2.21 1 127 ALA 3.14 0.52 1 128 HIS 4.19 3.43 1 130 TYR 4.56 0.55 1 131 VAL 6.04 1.34 1 138 SER 3.00 -0.49 1 141 GLN 3.82 -0.23 1 142 VAL 4.91 0.76 1 143 ILE 5.78 1.77 1 144 ALA 4.08 -0.07 1 145 ARG 4.31 0.31 1 149 ARG 3.26 -0.06 1 150 HIS 1.13 -0.17 1 151 TYR -3.76 -5.62 1 153 VAL 1.91 -1.75 1 154 ASP -1.53 -2.76 1 156 GLU 2.42 -1.52 1 157 ALA -1.14 -4.21 1 158 LEU -1.49 -4.52 1 160 PHE 2.47 0.12 1 161 TYR 0.92 -1.96 1 162 HIS -3.47 -3.34 1 163 PHE -0.79 -4.38 1 164 GLU 2.08 -1.35 1 166 ILE -0.59 -3.59 1 167 ALA 1.61 -1.05 1 169 LEU 4.41 0.78 1 170 LYS 4.95 1.03 1 171 VAL 3.57 -0.14 1 172 TYR 2.76 0.51 1 174 ASP 4.77 0.56 1 175 GLU 3.54 -0.33 1 176 TYR 4.00 0.97 1 177 ARG 5.91 1.43 1 179 LYS 7.29 0.51 1 180 LEU 3.29 -0.30 1 181 ASN 2.55 -1.44 1 182 ASN -1.04 -3.04 1 183 LEU 0.92 -2.45 1 184 GLU 0.52 -3.26 1 185 LEU -5.30 -4.98 1 186 SER -2.74 -4.29 1 187 ASP 5.33 1.06 1 188 GLU 3.59 0.00 1 190 ARG 4.70 1.14 1 191 GLU 3.43 -0.17 1 193 LEU 5.37 -0.62 1 194 LEU 4.37 0.24 1 195 LYS 4.25 0.29 1 196 GLU 4.35 -1.12 1 197 ALA 3.93 -0.21 1 199 ASP 5.09 0.23 1 200 ALA 4.45 0.02 1 201 PHE 4.98 2.05 1 202 VAL 7.14 1.97 1 204 ASN 3.71 0.58 1 205 HIS 3.73 2.16 1 206 GLN 3.56 -0.39 1 207 VAL 6.25 1.40 1 208 PHE 3.58 -1.49 1 209 ALA 3.76 -0.51 1 210 ASP 3.84 0.24 1 211 LEU 5.12 -0.46 1 213 LYS 1.16 -1.92 1 215 LEU 1.04 -1.79 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15070_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.30 _LACS_plot.Line_1_terminator_val_y_1 -0.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.03 _LACS_plot.Line_2_terminator_val_x_2 9.88 _LACS_plot.Line_2_terminator_val_y_2 -5.80 _LACS_plot.Y_axis_chem_shift_offset 2.72 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 THR 9.88 -9.57 0 148 GLN -1.62 2.21 0 129 HIS 2.55 1.10 0 73 LEU 2.99 -8.36 0 10 VAL 4.77 -4.17 1 11 GLU 3.30 -3.28 1 12 LEU 3.48 -3.52 1 13 LYS 4.37 -3.95 1 15 SER 3.86 -3.34 1 16 THR 0.98 -3.02 1 17 ALA 3.90 -3.51 1 18 GLN 4.18 -4.30 1 19 ALA 2.21 -3.10 1 20 HIS 3.35 -2.65 1 21 GLU -1.28 -0.50 1 22 LYS 2.06 -3.50 1 23 ALA 1.60 -2.94 1 24 GLU 0.97 -3.01 1 25 HIS 0.00 -2.61 1 26 SER -1.07 -1.87 1 28 PHE 3.41 -2.09 1 29 MET 3.93 -6.33 1 30 SER 3.88 -3.92 1 31 ASP 5.20 -4.96 1 33 LEU 3.85 -4.38 1 34 LYS 0.07 -3.41 1 36 ARG 0.40 -3.04 1 37 LEU -0.48 -5.34 1 39 VAL 4.34 -4.11 1 40 ALA 4.58 -4.36 1 41 GLU 4.99 -4.87 1 42 PHE 1.63 -1.77 1 43 THR 3.90 -1.39 1 45 LEU 5.53 -4.91 1 46 GLN 2.13 -4.20 1 47 GLU 3.00 -3.09 1 48 GLN 4.22 -4.90 1 49 ALA 3.56 -5.67 1 50 TRP 8.35 -5.09 1 51 LEU 3.85 -3.85 1 52 PHE 2.50 -3.92 1 53 TYR 9.45 -5.54 1 55 ALA 1.63 -2.22 1 56 LEU 3.35 -3.37 1 57 GLU 6.22 -5.57 1 58 GLN 4.28 -3.98 1 59 ALA 5.17 -4.63 1 60 VAL 5.53 -4.18 1 61 ASP 4.23 -4.16 1 62 ALA 2.65 -3.10 1 63 VAL 5.30 -4.06 1 64 ARG 5.17 -3.76 1 65 ALA 3.19 -4.02 1 66 SER -0.25 -1.47 1 68 PHE -1.00 -1.84 1 69 ALA 1.03 -4.65 1 70 GLU 4.88 -3.20 1 71 SER 2.27 -3.78 1 72 LEU 1.30 -2.45 1 74 ASP -2.45 -1.18 1 76 ALA 2.44 -3.80 1 77 LEU 2.02 -4.83 1 78 ASN 2.06 -3.84 1 80 ALA 6.33 -3.65 1 81 GLU 3.51 -3.81 1 82 VAL 4.49 -3.88 1 83 LEU 2.83 -2.85 1 84 ALA 4.01 -4.43 1 85 ARG 4.67 -3.87 1 86 ASP 5.26 -4.21 1 87 LEU 4.13 -4.34 1 88 ASP 4.15 -4.28 1 89 LYS 3.23 -4.17 1 90 LEU 2.69 -2.80 1 91 ASN -0.01 -1.31 1 93 SER -1.65 -2.40 1 94 SER -0.22 -2.61 1 95 GLU 2.60 -3.89 1 96 TRP 1.30 -3.90 1 97 ARG 4.56 -4.48 1 98 SER 0.44 -2.84 1 99 ARG -0.41 -2.68 1 101 THR -2.88 -1.54 1 102 ALA -1.70 -1.86 1 103 SER 2.86 -4.19 1 105 ALA 2.04 -2.73 1 106 VAL 5.41 -3.76 1 107 ILE 5.19 -4.43 1 108 ASP 3.62 -3.49 1 109 TYR -0.52 -2.45 1 110 VAL 7.08 -5.17 1 114 GLU 3.81 -3.78 1 115 GLU 2.98 -3.10 1 116 ILE 6.07 -4.40 1 117 ARG 4.28 -3.81 1 118 ASP 4.23 -4.21 1 119 ASN 0.12 -3.16 1 120 VAL 4.33 -6.74 1 121 ASP -1.13 -3.83 1 124 ALA 2.09 -2.86 1 125 LEU 3.77 -5.48 1 126 VAL 7.01 -4.80 1 127 ALA 3.14 -2.62 1 128 HIS 4.19 -0.76 1 130 TYR 4.56 -4.01 1 131 VAL 6.04 -4.70 1 138 SER 3.00 -3.49 1 141 GLN 3.82 -4.05 1 142 VAL 4.91 -4.15 1 143 ILE 5.78 -4.01 1 144 ALA 4.08 -4.15 1 145 ARG 4.31 -4.00 1 149 ARG 3.26 -3.32 1 150 HIS 1.13 -1.30 1 151 TYR -3.76 -1.86 1 153 VAL 1.91 -3.66 1 154 ASP -1.53 -1.23 1 156 GLU 2.42 -3.94 1 157 ALA -1.14 -3.07 1 158 LEU -1.49 -3.03 1 160 PHE 2.47 -2.35 1 161 TYR 0.92 -2.88 1 162 HIS -3.47 0.13 1 163 PHE -0.79 -3.59 1 164 GLU 2.08 -3.43 1 166 ILE -0.59 -3.00 1 167 ALA 1.61 -2.66 1 169 LEU 4.41 -3.63 1 170 LYS 4.95 -3.92 1 171 VAL 3.57 -3.71 1 172 TYR 2.76 -2.25 1 174 ASP 4.77 -4.21 1 175 GLU 3.54 -3.87 1 176 TYR 4.00 -3.03 1 177 ARG 5.91 -4.48 1 179 LYS 7.29 -6.78 1 180 LEU 3.29 -3.59 1 181 ASN 2.55 -3.99 1 182 ASN -1.04 -2.00 1 183 LEU 0.92 -3.37 1 184 GLU 0.52 -3.78 1 185 LEU -5.30 0.32 1 186 SER -2.74 -1.55 1 187 ASP 5.33 -4.27 1 188 GLU 3.59 -3.59 1 190 ARG 4.70 -3.56 1 191 GLU 3.43 -3.60 1 193 LEU 5.37 -5.99 1 194 LEU 4.37 -4.13 1 195 LYS 4.25 -3.96 1 196 GLU 4.35 -5.47 1 197 ALA 3.93 -4.14 1 199 ASP 5.09 -4.86 1 200 ALA 4.45 -4.43 1 201 PHE 4.98 -2.93 1 202 VAL 7.14 -5.17 1 204 ASN 3.71 -3.13 1 205 HIS 3.73 -1.57 1 206 GLN 3.56 -3.95 1 207 VAL 6.25 -4.85 1 208 PHE 3.58 -5.07 1 209 ALA 3.76 -4.27 1 210 ASP 3.84 -3.60 1 211 LEU 5.12 -5.58 1 213 LYS 1.16 -3.08 1 215 LEU 1.04 -2.83 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15070_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.30 _LACS_plot.Line_1_terminator_val_y_1 -2.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 9.88 _LACS_plot.Line_2_terminator_val_y_2 2.32 _LACS_plot.Y_axis_chem_shift_offset 0.62 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 185 LEU -5.30 -1.30 0 37 LEU -0.48 -5.30 0 27 THR 9.88 -0.70 0 10 VAL 4.77 0.60 1 11 GLU 3.30 2.30 1 12 LEU 3.48 0.30 1 13 LYS 4.37 0.90 1 15 SER 3.86 0.70 1 16 THR 0.98 -0.70 1 17 ALA 3.90 1.10 1 18 GLN 4.18 1.10 1 19 ALA 2.21 0.70 1 20 HIS 3.35 2.80 1 22 LYS 2.06 0.30 1 23 ALA 1.60 -0.50 1 24 GLU 0.97 -0.90 1 25 HIS 0.00 -0.60 1 28 PHE 3.41 -0.90 1 29 MET 3.93 0.80 1 30 SER 3.88 0.90 1 33 LEU 3.85 -1.60 1 34 LYS 0.07 -0.80 1 36 ARG 0.40 -1.40 1 39 VAL 4.34 0.80 1 40 ALA 4.58 0.70 1 41 GLU 4.99 0.60 1 42 PHE 1.63 -1.20 1 45 LEU 5.53 -1.80 1 46 GLN 2.13 1.40 1 47 GLU 3.00 0.60 1 48 GLN 4.22 1.10 1 49 ALA 3.56 0.10 1 50 TRP 8.35 2.00 1 51 LEU 3.85 1.70 1 52 PHE 2.50 1.00 1 53 TYR 9.45 1.60 1 55 ALA 1.63 0.70 1 56 LEU 3.35 -0.30 1 57 GLU 6.22 0.90 1 58 GLN 4.28 3.00 1 59 ALA 5.17 -0.20 1 60 VAL 5.53 0.40 1 61 ASP 4.23 2.00 1 62 ALA 2.65 1.30 1 63 VAL 5.30 2.50 1 64 ARG 5.17 2.50 1 65 ALA 3.19 -0.40 1 66 SER -0.25 -1.00 1 68 PHE -1.00 -4.30 1 69 ALA 1.03 -1.10 1 70 GLU 4.88 0.90 1 71 SER 2.27 0.50 1 72 LEU 1.30 0.00 1 74 ASP -2.45 0.50 1 76 ALA 2.44 0.00 1 77 LEU 2.02 -1.90 1 78 ASN 2.06 1.90 1 80 ALA 6.33 0.60 1 81 GLU 3.51 1.80 1 82 VAL 4.49 0.30 1 83 LEU 2.83 -3.50 1 84 ALA 4.01 -0.20 1 85 ARG 4.67 2.50 1 86 ASP 5.26 1.70 1 87 LEU 4.13 1.20 1 88 ASP 4.15 2.50 1 89 LYS 3.23 2.10 1 90 LEU 2.69 0.40 1 91 ASN -0.01 0.20 1 93 SER -1.65 -2.90 1 94 SER -0.22 0.60 1 95 GLU 2.60 -1.30 1 96 TRP 1.30 -0.10 1 97 ARG 4.56 0.20 1 98 SER 0.44 -1.40 1 99 ARG -0.41 -1.10 1 101 THR -2.88 -2.30 1 102 ALA -1.70 -1.30 1 105 ALA 2.04 1.90 1 106 VAL 5.41 -0.30 1 107 ILE 5.19 1.10 1 108 ASP 3.62 0.70 1 109 TYR -0.52 0.40 1 110 VAL 7.08 0.10 1 114 GLU 3.81 0.30 1 115 GLU 2.98 1.50 1 116 ILE 6.07 0.50 1 117 ARG 4.28 0.90 1 118 ASP 4.23 0.30 1 119 ASN 0.12 -2.40 1 120 VAL 4.33 -3.20 1 121 ASP -1.13 -2.10 1 124 ALA 2.09 0.20 1 125 LEU 3.77 1.10 1 126 VAL 7.01 -0.80 1 127 ALA 3.14 -0.20 1 128 HIS 4.19 2.30 1 129 HIS 2.55 0.90 1 130 TYR 4.56 1.00 1 138 SER 3.00 0.20 1 141 GLN 3.82 1.60 1 142 VAL 4.91 0.20 1 143 ILE 5.78 0.50 1 144 ALA 4.08 0.90 1 148 GLN -1.62 0.90 1 149 ARG 3.26 0.70 1 150 HIS 1.13 2.30 1 151 TYR -3.76 -0.70 1 153 VAL 1.91 -2.80 1 156 GLU 2.42 -2.00 1 157 ALA -1.14 -4.50 1 158 LEU -1.49 0.30 1 160 PHE 2.47 -1.40 1 161 TYR 0.92 -3.40 1 162 HIS -3.47 -2.40 1 163 PHE -0.79 -1.40 1 164 GLU 2.08 -0.10 1 166 ILE -0.59 -3.20 1 167 ALA 1.61 -0.50 1 169 LEU 4.41 -0.30 1 170 LYS 4.95 1.00 1 171 VAL 3.57 0.20 1 172 TYR 2.76 1.30 1 174 ASP 4.77 1.90 1 175 GLU 3.54 1.10 1 176 TYR 4.00 0.20 1 177 ARG 5.91 0.20 1 179 LYS 7.29 3.00 1 180 LEU 3.29 -0.10 1 181 ASN 2.55 0.10 1 182 ASN -1.04 -1.30 1 183 LEU 0.92 -2.30 1 184 GLU 0.52 -2.70 1 186 SER -2.74 -0.90 1 187 ASP 5.33 1.30 1 188 GLU 3.59 1.90 1 190 ARG 4.70 0.00 1 191 GLU 3.43 1.20 1 193 LEU 5.37 0.00 1 194 LEU 4.37 1.50 1 195 LYS 4.25 1.20 1 196 GLU 4.35 0.10 1 197 ALA 3.93 -0.10 1 199 ASP 5.09 0.90 1 200 ALA 4.45 0.60 1 201 PHE 4.98 2.00 1 204 ASN 3.71 -0.50 1 205 HIS 3.73 3.00 1 206 GLN 3.56 1.10 1 207 VAL 6.25 0.60 1 208 PHE 3.58 1.70 1 209 ALA 3.76 1.60 1 210 ASP 3.84 2.20 1 211 LEU 5.12 1.30 1 213 LYS 1.16 -0.70 1 215 LEU 1.04 3.30 1 stop_ save_