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 bmr26875_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.01 _LACS_plot.Line_1_terminator_val_y_1 -2.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.60 _LACS_plot.Line_2_terminator_val_x_2 9.65 _LACS_plot.Line_2_terminator_val_y_2 7.61 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 142 ILE -5.82 -0.21 0 108 ALA -8.01 -1.63 0 15 ALA -6.10 0.02 0 10 LEU -5.36 -1.88 1 11 LEU -4.91 -2.16 1 12 VAL -5.44 -3.32 1 14 LEU 2.62 0.55 1 16 ASN -1.73 0.05 1 20 GLU 3.90 2.08 1 21 TYR 0.08 0.22 1 22 ALA 3.08 3.33 1 23 LYS -0.43 -1.91 1 24 THR -3.00 -0.69 1 25 ARG 4.27 4.99 1 26 HIS -0.18 -0.87 1 27 ASN 3.11 2.16 1 28 ALA 4.01 3.24 1 30 ALA 1.41 0.43 1 31 TRP 4.79 3.81 1 32 VAL 6.69 5.17 1 33 VAL 3.36 3.34 1 34 GLU 3.88 2.60 1 35 GLU 3.31 3.35 1 36 LEU 5.38 3.17 1 37 ALA 4.16 3.82 1 38 ARG 3.94 3.26 1 39 ILE 1.17 1.86 1 40 HIS 3.10 1.55 1 41 ASN -1.74 -0.42 1 42 VAL 0.25 -0.02 1 43 THR 0.22 -0.29 1 44 LEU -4.54 -1.70 1 45 LYS 1.44 1.38 1 46 ASN -3.40 -0.96 1 47 GLU 3.57 1.66 1 49 LYS -3.61 -3.83 1 50 PHE 3.74 0.32 1 51 PHE -3.74 -2.01 1 53 LEU -5.62 -2.84 1 54 THR -2.16 -0.25 1 56 ARG -2.84 -1.00 1 57 LEU -2.89 -1.60 1 58 LEU -2.65 -0.97 1 59 ILE 3.00 1.84 1 60 ASN 3.95 2.02 1 61 SER -3.29 -1.52 1 62 GLN -2.51 -0.77 1 63 GLU -4.41 -1.39 1 64 LEU -0.13 -0.02 1 65 ARG -6.63 -4.60 1 66 VAL -6.83 -1.54 1 67 LEU -3.24 -0.13 1 68 ILE 1.18 -1.44 1 70 THR -1.30 -0.36 1 71 THR 5.34 4.44 1 72 PHE 3.65 2.77 1 73 MET 3.60 1.56 1 74 ASN -2.37 -1.23 1 75 LEU 3.68 5.05 1 76 SER 3.24 2.95 1 78 LYS 1.19 2.47 1 79 ALA 4.40 4.75 1 80 ILE 3.63 2.54 1 81 ALA 3.47 3.09 1 82 ALA 3.90 4.10 1 83 LEU 5.50 3.64 1 84 ALA 3.41 2.73 1 85 ASN 3.79 4.25 1 86 PHE 1.49 1.29 1 87 TYR 5.09 1.54 1 88 GLN -1.34 0.34 1 89 ILE 1.65 0.69 1 90 LYS 3.83 2.44 1 92 GLU -2.91 -1.95 1 93 GLU -1.63 -0.26 1 94 ILE -5.75 -2.08 1 95 MET -1.26 -0.89 1 96 VAL -2.96 -2.36 1 97 ALA -4.71 -1.13 1 98 HIS 0.28 -0.57 1 99 ASP -6.51 -2.97 1 100 GLU -0.25 1.90 1 101 LEU 0.99 0.77 1 102 ASP -5.37 -1.73 1 103 LEU -3.71 -1.68 1 107 VAL -5.27 -0.98 1 109 LYS -2.92 -1.01 1 110 PHE -5.33 0.02 1 111 LYS -0.01 0.04 1 112 GLN -2.42 0.32 1 116 HIS -0.63 2.79 1 119 HIS 4.12 3.34 1 120 ASN 2.50 2.93 1 122 LEU 4.54 4.64 1 123 LYS 1.38 3.97 1 124 ASP 9.65 7.65 1 125 THR 3.28 4.07 1 126 ILE 4.33 3.79 1 127 SER 2.57 2.06 1 128 LYS 1.11 -0.76 1 129 LEU 3.02 1.16 1 131 ASN -0.70 -0.55 1 133 LYS 2.27 0.17 1 134 GLU -2.77 -2.50 1 135 PHE -0.88 1.44 1 136 TYR -2.25 -0.96 1 137 ARG -0.96 -0.37 1 138 LEU -2.63 -1.52 1 139 ARG -0.74 -1.56 1 140 LEU -3.41 -0.41 1 144 HIS -2.80 1.86 1 147 HIS 4.24 3.25 1 148 LYS 2.86 1.85 1 149 ASP -1.88 -0.37 1 150 LYS 6.35 5.56 1 151 VAL 4.80 3.33 1 152 ALA 2.18 3.48 1 154 TYR 4.75 2.94 1 155 VAL 0.61 -1.15 1 156 LEU -1.73 -1.31 1 158 LYS 0.72 0.40 1 159 ALA 4.59 4.12 1 161 ALA 4.25 2.71 1 162 LYS 1.53 2.88 1 163 GLU 3.45 2.32 1 164 GLN 3.44 3.30 1 165 GLU 3.43 3.31 1 167 LEU 4.59 3.19 1 168 ASP 3.08 2.47 1 169 ALA 4.22 2.82 1 170 ALA 6.48 5.22 1 171 VAL 4.31 3.66 1 172 ASP 3.35 1.57 1 173 GLU 7.68 5.99 1 174 SER 7.21 5.40 1 175 VAL 4.13 3.30 1 176 ARG 3.27 2.76 1 178 LEU 4.86 3.92 1 179 GLU 4.58 4.04 1 180 ILE 4.06 3.55 1 181 LEU 2.40 0.51 1 182 MET 0.51 2.34 1 183 LYS -3.00 0.69 1 184 ASP 3.50 3.31 1 186 LEU 6.97 5.52 1 187 THR 3.94 3.18 1 188 LYS 2.93 3.41 1 189 ALA 3.68 3.34 1 190 GLN 3.74 2.57 1 191 ASN 4.18 3.04 1 192 ARG 4.45 3.55 1 193 LEU 2.65 2.00 1 194 HIS 0.01 0.21 1 195 THR 1.19 1.45 1 196 PHE -1.58 0.25 1 197 LYS -1.85 -0.35 1 198 ALA -1.73 0.87 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26875_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.01 _LACS_plot.Line_1_terminator_val_y_1 5.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.40 _LACS_plot.Line_2_terminator_val_x_2 9.65 _LACS_plot.Line_2_terminator_val_y_2 -2.04 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 142 ILE -5.82 5.61 0 108 ALA -8.01 6.38 0 15 ALA -6.10 6.12 0 10 LEU -5.36 3.48 1 11 LEU -4.91 2.75 1 12 VAL -5.44 2.12 1 14 LEU 2.62 -2.07 1 16 ASN -1.73 1.78 1 20 GLU 3.90 -1.82 1 21 TYR 0.08 0.14 1 22 ALA 3.08 0.25 1 23 LYS -0.43 -1.48 1 24 THR -3.00 2.31 1 25 ARG 4.27 0.72 1 26 HIS -0.18 -0.69 1 27 ASN 3.11 -0.95 1 28 ALA 4.01 -0.77 1 30 ALA 1.41 -0.98 1 31 TRP 4.79 -0.98 1 32 VAL 6.69 -1.52 1 33 VAL 3.36 -0.02 1 34 GLU 3.88 -1.28 1 35 GLU 3.31 0.04 1 36 LEU 5.38 -2.21 1 37 ALA 4.16 -0.34 1 38 ARG 3.94 -0.68 1 39 ILE 1.17 0.69 1 40 HIS 3.10 -1.55 1 41 ASN -1.74 1.32 1 42 VAL 0.25 -0.27 1 43 THR 0.22 -0.51 1 44 LEU -4.54 2.84 1 45 LYS 1.44 -0.06 1 46 ASN -3.40 2.44 1 47 GLU 3.57 -1.91 1 49 LYS -3.61 -0.22 1 50 PHE 3.74 -3.42 1 51 PHE -3.74 1.73 1 53 LEU -5.62 2.78 1 54 THR -2.16 1.91 1 56 ARG -2.84 1.84 1 57 LEU -2.89 1.29 1 58 LEU -2.65 1.68 1 59 ILE 3.00 -1.16 1 60 ASN 3.95 -1.93 1 61 SER -3.29 1.77 1 62 GLN -2.51 1.74 1 63 GLU -4.41 3.02 1 64 LEU -0.13 0.11 1 65 ARG -6.63 2.03 1 66 VAL -6.83 5.29 1 67 LEU -3.24 3.11 1 68 ILE 1.18 -2.62 1 70 THR -1.30 0.94 1 71 THR 5.34 -0.90 1 72 PHE 3.65 -0.88 1 73 MET 3.60 -2.04 1 74 ASN -2.37 1.14 1 75 LEU 3.68 1.37 1 76 SER 3.24 -0.29 1 78 LYS 1.19 1.28 1 79 ALA 4.40 0.35 1 80 ILE 3.63 -1.09 1 81 ALA 3.47 -0.38 1 82 ALA 3.90 0.20 1 83 LEU 5.50 -1.86 1 84 ALA 3.41 -0.68 1 85 ASN 3.79 0.46 1 86 PHE 1.49 -0.20 1 87 TYR 5.09 -3.55 1 88 GLN -1.34 1.68 1 89 ILE 1.65 -0.96 1 90 LYS 3.83 -1.39 1 92 GLU -2.91 0.96 1 93 GLU -1.63 1.37 1 94 ILE -5.75 3.67 1 95 MET -1.26 0.37 1 96 VAL -2.96 0.60 1 97 ALA -4.71 3.58 1 98 HIS 0.28 -0.85 1 99 ASP -6.51 3.54 1 100 GLU -0.25 2.15 1 101 LEU 0.99 -0.22 1 102 ASP -5.37 3.64 1 103 LEU -3.71 2.03 1 107 VAL -5.27 4.29 1 109 LYS -2.92 1.91 1 110 PHE -5.33 5.35 1 111 LYS -0.01 0.05 1 112 GLN -2.42 2.74 1 116 HIS -0.63 3.42 1 119 HIS 4.12 -0.78 1 120 ASN 2.50 0.43 1 122 LEU 4.54 0.10 1 123 LYS 1.38 2.59 1 124 ASP 9.65 -2.00 1 125 THR 3.28 0.79 1 126 ILE 4.33 -0.54 1 127 SER 2.57 -0.51 1 128 LYS 1.11 -1.87 1 129 LEU 3.02 -1.86 1 131 ASN -0.70 0.15 1 133 LYS 2.27 -2.10 1 134 GLU -2.77 0.27 1 135 PHE -0.88 2.32 1 136 TYR -2.25 1.29 1 137 ARG -0.96 0.59 1 138 LEU -2.63 1.11 1 139 ARG -0.74 -0.82 1 140 LEU -3.41 3.00 1 144 HIS -2.80 4.66 1 147 HIS 4.24 -0.99 1 148 LYS 2.86 -1.01 1 149 ASP -1.88 1.51 1 150 LYS 6.35 -0.79 1 151 VAL 4.80 -1.47 1 152 ALA 2.18 1.30 1 154 TYR 4.75 -1.81 1 155 VAL 0.61 -1.76 1 156 LEU -1.73 0.42 1 158 LYS 0.72 -0.32 1 159 ALA 4.59 -0.47 1 161 ALA 4.25 -1.54 1 162 LYS 1.53 1.35 1 163 GLU 3.45 -1.13 1 164 GLN 3.44 -0.14 1 165 GLU 3.43 -0.12 1 167 LEU 4.59 -1.40 1 168 ASP 3.08 -0.61 1 169 ALA 4.22 -1.40 1 170 ALA 6.48 -1.26 1 171 VAL 4.31 -0.65 1 172 ASP 3.35 -1.78 1 173 GLU 7.68 -1.69 1 174 SER 7.21 -1.81 1 175 VAL 4.13 -0.83 1 176 ARG 3.27 -0.51 1 178 LEU 4.86 -0.94 1 179 GLU 4.58 -0.54 1 180 ILE 4.06 -0.51 1 181 LEU 2.40 -1.89 1 182 MET 0.51 1.83 1 183 LYS -3.00 3.69 1 184 ASP 3.50 -0.19 1 186 LEU 6.97 -1.45 1 187 THR 3.94 -0.76 1 188 LYS 2.93 0.48 1 189 ALA 3.68 -0.34 1 190 GLN 3.74 -1.17 1 191 ASN 4.18 -1.14 1 192 ARG 4.45 -0.90 1 193 LEU 2.65 -0.65 1 194 HIS 0.01 0.20 1 195 THR 1.19 0.26 1 196 PHE -1.58 1.83 1 197 LYS -1.85 1.50 1 198 ALA -1.73 2.60 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26875_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.01 _LACS_plot.Line_1_terminator_val_y_1 -3.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.88 _LACS_plot.Line_2_terminator_val_x_2 9.65 _LACS_plot.Line_2_terminator_val_y_2 3.29 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 112 GLN -2.42 3.62 0 198 ALA -1.73 4.02 0 108 ALA -8.01 -0.34 0 10 LEU -5.36 -5.92 0 124 ASP 9.65 -0.13 0 11 LEU -4.91 -4.19 1 12 VAL -5.44 -1.95 1 14 LEU 2.62 -1.60 1 15 ALA -6.10 -0.68 1 20 GLU 3.90 1.21 1 21 TYR 0.08 1.65 1 22 ALA 3.08 0.41 1 23 LYS -0.43 -0.29 1 24 THR -3.00 0.37 1 25 ARG 4.27 0.48 1 26 HIS -0.18 -0.57 1 27 ASN 3.11 0.54 1 28 ALA 4.01 1.50 1 30 ALA 1.41 3.98 1 31 TRP 4.79 0.36 1 32 VAL 6.69 0.79 1 33 VAL 3.36 3.12 1 34 GLU 3.88 0.96 1 35 GLU 3.31 0.83 1 36 LEU 5.38 1.13 1 37 ALA 4.16 5.09 1 38 ARG 3.94 0.94 1 39 ILE 1.17 -1.12 1 40 HIS 3.10 -1.10 1 41 ASN -1.74 -0.94 1 42 VAL 0.25 -0.67 1 43 THR 0.22 -1.57 1 44 LEU -4.54 -1.10 1 45 LYS 1.44 -0.48 1 46 ASN 3.57 -1.60 1 49 LYS -3.61 -2.99 1 50 PHE 3.74 -0.54 1 51 PHE -3.74 -0.35 1 53 LEU -5.62 -0.81 1 54 THR -2.16 -3.63 1 56 ARG -2.84 -3.59 1 57 LEU -2.89 -1.26 1 58 LEU -2.65 -0.86 1 59 ILE 3.00 -0.22 1 60 ASN 3.95 -1.99 1 61 SER -3.29 -1.80 1 62 GLN -2.51 -1.67 1 63 GLU -4.41 -2.06 1 64 LEU -0.13 -1.30 1 65 ARG -6.63 -1.95 1 66 VAL -6.83 -3.25 1 67 LEU 1.18 -0.50 1 70 THR -1.30 2.08 1 71 THR 5.34 3.23 1 72 PHE 3.65 2.91 1 73 MET 3.60 -1.69 1 74 ASN -2.37 0.05 1 75 LEU 3.68 1.04 1 76 SER 3.24 2.33 1 78 LYS 1.19 -0.46 1 79 ALA 4.40 0.66 1 80 ILE 3.63 1.53 1 81 ALA 3.47 2.87 1 82 ALA 3.90 1.15 1 83 LEU 5.50 2.38 1 84 ALA 3.41 2.98 1 85 ASN 3.79 1.20 1 86 PHE 1.49 -2.17 1 87 TYR 5.09 -1.32 1 88 GLN -1.34 -0.93 1 89 ILE 3.83 -0.41 1 92 GLU -2.91 -1.35 1 93 GLU -1.63 -2.61 1 94 ILE -5.75 -2.76 1 95 MET -1.26 -1.82 1 96 VAL -2.96 -2.16 1 97 ALA -4.71 -2.77 1 98 HIS 0.28 1.60 1 99 ASP -6.51 -1.56 1 100 GLU -0.25 0.53 1 101 LEU 0.99 -1.14 1 102 ASP -3.71 -1.65 1 107 VAL -5.27 -2.85 1 109 LYS -2.92 2.03 1 110 PHE -5.33 -3.45 1 111 LYS -0.01 -0.96 1 116 HIS -0.63 3.24 1 119 HIS 4.12 3.55 1 120 ASN 2.50 1.08 1 122 LEU 4.54 2.09 1 123 LYS 1.38 1.81 1 125 THR 3.28 2.59 1 126 ILE 4.33 4.49 1 127 SER 2.57 1.61 1 128 LYS 1.11 -1.19 1 129 LEU -0.70 1.96 1 133 LYS 2.27 -1.28 1 134 GLU -2.77 1.82 1 135 PHE -0.88 0.23 1 136 TYR -2.25 -2.17 1 137 ARG -0.96 -4.56 1 138 LEU -2.63 -2.29 1 139 ARG -0.74 -1.82 1 140 LEU -3.41 2.31 1 142 ILE 4.24 1.80 1 148 LYS 2.86 0.92 1 149 ASP -1.88 0.74 1 150 LYS 6.35 -0.06 1 151 VAL 4.80 2.47 1 152 ALA 2.18 3.79 1 154 TYR 4.75 -0.86 1 155 VAL 0.61 -2.30 1 156 LEU -1.73 -0.19 1 158 LYS 4.59 1.94 1 161 ALA 4.25 2.52 1 162 LYS 1.53 2.11 1 163 GLU 3.45 1.18 1 164 GLN 3.44 3.54 1 165 GLU 3.43 1.24 1 167 LEU 4.59 2.60 1 168 ASP 3.08 2.82 1 169 ALA 4.22 3.12 1 170 ALA 6.48 1.07 1 171 VAL 4.31 2.57 1 172 ASP 3.35 2.45 1 173 GLU 7.68 1.32 1 174 SER 7.21 1.88 1 175 VAL 4.13 4.64 1 176 ARG 3.27 0.85 1 178 LEU 4.86 2.70 1 179 GLU 4.58 1.32 1 180 ILE 4.06 0.58 1 181 LEU 2.40 -0.05 1 182 MET 0.51 -0.26 1 183 LYS -3.00 1.04 1 184 ASP 3.50 0.02 1 186 LEU 6.97 1.68 1 187 THR 3.94 2.73 1 188 LYS 2.93 0.97 1 189 ALA 3.68 0.86 1 190 GLN 3.74 2.28 1 191 ASN 4.18 2.01 1 192 ARG 4.45 1.77 1 193 LEU 2.65 3.06 1 194 HIS 0.01 -0.65 1 195 THR 1.19 -0.16 1 196 PHE -1.58 -2.71 1 197 LYS -1.85 -2.18 1 stop_ save_