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 bmr26962_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.33 _LACS_plot.Line_1_terminator_val_y_1 -3.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 5.85 _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 129 ILE -6.16 -0.38 0 45 HIS -0.52 3.78 0 26 PHE -1.32 3.34 0 10 VAL 3.72 2.25 1 11 MET -0.58 -0.36 1 14 MET -1.19 0.52 1 15 LYS 6.03 5.12 1 16 ASP 4.93 3.76 1 17 ALA 3.62 2.37 1 18 VAL 6.66 5.15 1 19 ILE 5.75 1.88 1 20 GLN 4.99 3.62 1 21 HIS 6.58 5.16 1 22 LEU 3.54 2.50 1 23 ARG 2.85 3.42 1 24 ASP 2.23 2.83 1 25 SER -0.13 1.04 1 27 PHE 3.20 1.54 1 28 ALA -0.35 0.33 1 29 ASP -2.24 0.33 1 30 GLU 1.00 1.35 1 32 LEU 4.38 2.75 1 33 ASN 4.02 2.63 1 34 LYS 3.47 2.91 1 35 ALA 2.88 2.62 1 36 VAL -1.35 -1.21 1 38 LEU 2.28 3.55 1 40 GLU -3.69 -1.91 1 41 ARG 3.93 3.03 1 43 GLN -1.32 -0.69 1 46 ALA 4.69 3.72 1 47 ALA 4.25 2.88 1 48 LEU 3.66 3.21 1 49 GLU 6.12 4.56 1 50 ARG 5.29 4.46 1 51 LEU 3.72 3.24 1 53 LEU 4.46 3.62 1 54 ALA 4.09 2.76 1 55 THR 6.55 5.14 1 56 MET 3.49 5.43 1 57 THR 4.21 3.60 1 58 ASP 3.19 2.89 1 60 LEU -4.05 -1.94 1 61 SER 3.00 2.22 1 62 ILE -5.54 -1.15 1 63 ALA -5.68 -2.75 1 64 ALA -4.50 -2.85 1 65 MET -3.59 -2.32 1 66 ASP -2.49 -1.53 1 68 ASP -0.05 -0.20 1 69 LYS -0.94 -0.67 1 70 VAL 1.00 0.21 1 71 LEU -1.20 0.16 1 73 VAL -6.44 -2.66 1 74 ALA -4.73 -2.22 1 75 LEU -1.61 -1.96 1 76 ASN -4.74 -1.41 1 78 ILE -0.18 0.50 1 79 LEU -4.55 -1.00 1 80 ARG -3.22 -1.57 1 81 HIS 2.58 3.92 1 83 ASP 3.51 3.53 1 84 ILE 4.97 4.10 1 85 GLU 7.32 5.35 1 86 GLN 3.86 3.14 1 87 SER 6.55 4.48 1 88 ILE 5.05 4.74 1 89 GLU 3.35 2.57 1 90 LYS 3.90 3.14 1 91 ILE 4.19 2.41 1 92 LYS 3.42 2.83 1 93 GLN 0.00 -0.18 1 94 SER -0.27 -1.48 1 95 THR 0.63 -0.45 1 96 ASP -1.44 -1.43 1 97 GLU 2.78 2.81 1 98 LYS 3.62 4.39 1 99 PHE 3.08 3.66 1 100 ASN 4.08 2.88 1 101 LYS 4.09 3.91 1 102 ILE 3.85 4.10 1 103 PHE 7.34 5.40 1 104 ASN 4.41 4.49 1 105 ILE 6.07 3.97 1 106 LEU 4.75 3.50 1 107 TYR 1.19 0.13 1 108 THR 6.54 5.53 1 109 VAL 6.21 4.31 1 110 SER 6.26 6.37 1 111 ARG 4.91 3.83 1 112 ASP 3.65 2.25 1 113 LEU 0.18 0.68 1 114 ASN 2.33 0.45 1 115 LEU 2.34 3.78 1 116 PHE 5.91 3.66 1 117 ASN 2.21 2.37 1 118 THR 5.72 4.92 1 119 PHE 1.77 1.33 1 120 GLU 3.53 0.68 1 121 VAL -6.67 -3.53 1 122 ASP -1.31 0.08 1 123 LEU -4.53 -0.20 1 124 ILE -4.85 -0.85 1 125 MET -0.93 -0.49 1 126 GLU -6.64 -2.88 1 128 ARG 3.23 3.68 1 130 ILE -2.34 -1.56 1 131 SER -3.06 -2.38 1 132 VAL -4.96 -1.02 1 133 HIS 0.56 3.78 1 134 GLU 3.75 3.61 1 135 ASN 2.19 1.53 1 136 ALA -2.61 -1.24 1 137 ARG 2.06 2.15 1 139 ARG -1.30 -0.55 1 141 LEU 3.06 3.04 1 142 ALA 4.26 3.72 1 143 LYS 4.24 3.55 1 144 GLU 2.91 2.27 1 145 LEU 3.22 3.21 1 146 MET 6.03 4.64 1 147 LYS 4.92 4.42 1 148 ARG 4.19 2.79 1 149 SER 7.70 5.18 1 150 ILE 5.91 4.62 1 151 ASP 4.49 3.30 1 152 LEU 2.72 2.77 1 153 ALA 3.92 3.09 1 154 ARG 4.45 3.53 1 155 ASP 3.41 2.94 1 156 ASN -0.16 1.03 1 157 GLU 5.07 1.39 1 158 PHE 0.94 1.16 1 159 LYS -0.73 -0.51 1 160 LEU -5.42 -0.26 1 161 PHE -5.83 -1.86 1 162 LYS -6.93 -1.58 1 163 VAL -4.59 -0.82 1 164 ASP 0.55 -0.63 1 165 ALA -1.32 -1.34 1 166 THR 1.09 1.09 1 168 ALA 3.28 2.75 1 169 PHE 4.93 3.96 1 170 SER 4.29 3.00 1 171 GLN 7.42 4.99 1 172 ARG 4.88 3.95 1 173 ILE 5.03 3.03 1 175 ARG 5.00 3.89 1 176 SER 4.00 3.11 1 177 LEU -0.29 -0.86 1 178 SER 4.35 1.55 1 179 LEU 3.61 3.12 1 180 GLU -4.33 -1.84 1 181 GLU -1.65 -0.40 1 182 LEU -1.26 0.59 1 183 LYS -5.22 -1.11 1 184 SER -3.53 -2.20 1 185 VAL -3.08 -1.29 1 186 ARG 0.07 0.26 1 187 TYR 4.66 2.96 1 188 ASP 2.30 0.85 1 189 GLU -1.84 -0.58 1 190 TYR 1.68 0.08 1 192 ASP -1.60 -1.73 1 193 GLU 3.59 2.66 1 194 SER -0.36 0.47 1 196 THR 0.58 0.41 1 198 ILE 3.18 2.77 1 199 PHE -3.30 -1.88 1 200 ARG 0.51 -1.16 1 201 VAL -2.14 -0.58 1 205 ASP 0.21 0.76 1 206 HIS -1.11 2.40 1 207 ALA -4.84 -1.74 1 208 LEU -1.55 -1.09 1 210 VAL 2.00 0.94 1 211 MET -4.07 -2.89 1 212 ILE -9.33 -3.67 1 213 LEU -6.45 -0.95 1 214 LYS 1.30 0.69 1 215 LEU -5.38 -3.09 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26962_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.33 _LACS_plot.Line_1_terminator_val_y_1 5.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.74 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 -1.84 _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 129 ILE -6.16 5.78 0 45 HIS -0.52 4.30 0 26 PHE -1.32 4.66 0 10 VAL 3.72 -1.47 1 11 MET -0.58 0.22 1 14 MET -1.19 1.71 1 15 LYS 6.03 -0.91 1 16 ASP 4.93 -1.17 1 17 ALA 3.62 -1.25 1 18 VAL 6.66 -1.51 1 19 ILE 5.75 -3.87 1 20 GLN 4.99 -1.37 1 21 HIS 6.58 -1.42 1 22 LEU 3.54 -1.04 1 23 ARG 2.85 0.57 1 24 ASP 2.23 0.60 1 25 SER -0.13 1.17 1 27 PHE 3.20 -1.66 1 28 ALA -0.35 0.68 1 29 ASP -2.24 2.57 1 30 GLU 1.00 0.35 1 32 LEU 4.38 -1.63 1 33 ASN 4.02 -1.39 1 34 LYS 3.47 -0.56 1 35 ALA 2.88 -0.26 1 36 VAL -1.35 0.14 1 38 LEU 2.28 1.27 1 40 GLU -3.69 1.78 1 41 ARG 3.93 -0.90 1 43 GLN -1.32 0.63 1 46 ALA 4.69 -0.97 1 47 ALA 4.25 -1.37 1 48 LEU 3.66 -0.45 1 49 GLU 6.12 -1.56 1 50 ARG 5.29 -0.83 1 51 LEU 3.72 -0.48 1 53 LEU 4.46 -0.84 1 54 ALA 4.09 -1.33 1 55 THR 6.55 -1.41 1 56 MET 3.49 1.94 1 57 THR 4.21 -0.61 1 58 ASP 3.19 -0.30 1 60 LEU -4.05 2.11 1 61 SER 3.00 -0.78 1 62 ILE -5.54 4.39 1 63 ALA -5.68 2.93 1 64 ALA -4.50 1.65 1 65 MET -3.59 1.27 1 66 ASP -2.49 0.96 1 68 ASP -0.05 -0.15 1 69 LYS -0.94 0.27 1 70 VAL 1.00 -0.79 1 71 LEU -1.20 1.36 1 73 VAL -6.44 3.78 1 74 ALA -4.73 2.51 1 75 LEU -1.61 -0.35 1 76 ASN -4.74 3.33 1 78 ILE -0.18 0.68 1 79 LEU -4.55 3.55 1 80 ARG -3.22 1.65 1 81 HIS 2.58 1.34 1 83 ASP 3.51 0.02 1 84 ILE 4.97 -0.87 1 85 GLU 7.32 -1.97 1 86 GLN 3.86 -0.72 1 87 SER 6.55 -2.07 1 88 ILE 5.05 -0.31 1 89 GLU 3.35 -0.78 1 90 LYS 3.90 -0.76 1 91 ILE 4.19 -1.78 1 92 LYS 3.42 -0.59 1 93 GLN 0.00 -0.18 1 94 SER -0.27 -1.21 1 95 THR 0.63 -1.08 1 96 ASP -1.44 0.01 1 97 GLU 2.78 0.03 1 98 LYS 3.62 0.77 1 99 PHE 3.08 0.58 1 100 ASN 4.08 -1.20 1 101 LYS 4.09 -0.18 1 102 ILE 3.85 0.25 1 103 PHE 7.34 -1.94 1 104 ASN 4.41 0.08 1 105 ILE 6.07 -2.10 1 106 LEU 4.75 -1.25 1 107 TYR 1.19 -1.06 1 108 THR 6.54 -1.01 1 109 VAL 6.21 -1.90 1 110 SER 6.26 0.11 1 111 ARG 4.91 -1.08 1 112 ASP 3.65 -1.40 1 113 LEU 0.18 0.50 1 114 ASN 2.33 -1.88 1 115 LEU 2.34 1.44 1 116 PHE 5.91 -2.25 1 117 ASN 2.21 0.16 1 118 THR 5.72 -0.80 1 119 PHE 1.77 -0.44 1 120 GLU 3.53 -2.85 1 121 VAL -6.67 3.14 1 122 ASP -1.31 1.39 1 123 LEU -4.53 4.33 1 124 ILE -4.85 4.00 1 125 MET -0.93 0.44 1 126 GLU -6.64 3.76 1 128 ARG 3.23 0.45 1 130 ILE -2.34 0.78 1 131 SER -3.06 0.68 1 132 VAL -4.96 3.94 1 133 HIS 0.56 3.22 1 134 GLU 3.75 -0.14 1 135 ASN 2.19 -0.66 1 136 ALA -2.61 1.37 1 137 ARG 2.06 0.09 1 139 ARG -1.30 0.75 1 141 LEU 3.06 -0.02 1 142 ALA 4.26 -0.54 1 143 LYS 4.24 -0.69 1 144 GLU 2.91 -0.64 1 145 LEU 3.22 -0.01 1 146 MET 6.03 -1.39 1 147 LYS 4.92 -0.50 1 148 ARG 4.19 -1.40 1 149 SER 7.70 -2.52 1 150 ILE 5.91 -1.29 1 151 ASP 4.49 -1.19 1 152 LEU 2.72 0.05 1 153 ALA 3.92 -0.83 1 154 ARG 4.45 -0.92 1 155 ASP 3.41 -0.47 1 156 ASN -0.16 1.19 1 157 GLU 5.07 -3.68 1 158 PHE 0.94 0.22 1 159 LYS -0.73 0.22 1 160 LEU -5.42 5.16 1 161 PHE -5.83 3.97 1 162 LYS -6.93 5.35 1 163 VAL -4.59 3.77 1 164 ASP 0.55 -1.18 1 165 ALA -1.32 -0.02 1 166 THR 1.09 0.00 1 168 ALA 3.28 -0.53 1 169 PHE 4.93 -0.97 1 170 SER 4.29 -1.29 1 171 GLN 7.42 -2.43 1 172 ARG 4.88 -0.93 1 173 ILE 5.03 -2.00 1 175 ARG 5.00 -1.11 1 176 SER 4.00 -0.89 1 177 LEU -0.29 -0.57 1 178 SER 4.35 -2.80 1 179 LEU 3.61 -0.49 1 180 GLU -4.33 2.49 1 181 GLU -1.65 1.25 1 182 LEU -1.26 1.85 1 183 LYS -5.22 4.11 1 184 SER -3.53 1.33 1 185 VAL -3.08 1.79 1 186 ARG 0.07 0.19 1 187 TYR 4.66 -1.70 1 188 ASP 2.30 -1.45 1 189 GLU -1.84 1.26 1 190 TYR 1.68 -1.60 1 192 ASP -1.60 -0.13 1 193 GLU 3.59 -0.93 1 194 SER -0.36 0.83 1 196 THR 0.58 -0.17 1 198 ILE 3.18 -0.41 1 199 PHE -3.30 1.42 1 200 ARG 0.51 -1.67 1 201 VAL -2.14 1.56 1 205 ASP 0.21 0.55 1 206 HIS -1.11 3.51 1 207 ALA -4.84 3.10 1 208 LEU -1.55 0.46 1 210 VAL 2.00 -1.06 1 211 MET -4.07 1.18 1 212 ILE -9.33 5.66 1 213 LEU -6.45 5.50 1 214 LYS 1.30 -0.61 1 215 LEU -5.38 2.29 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26962_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.33 _LACS_plot.Line_1_terminator_val_y_1 -4.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 3.05 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 157 GLU 5.07 -3.53 0 10 VAL 3.72 -0.88 1 14 MET -1.19 -0.39 1 15 LYS 6.03 0.58 1 16 ASP 4.93 2.38 1 17 ALA 3.62 3.85 1 18 VAL 6.66 0.98 1 19 ILE 5.75 1.42 1 20 GLN 4.99 1.52 1 21 HIS 6.58 3.28 1 22 LEU 3.54 2.44 1 23 ARG 2.85 3.51 1 24 ASP 2.23 2.04 1 25 SER -0.13 -1.82 1 26 PHE -1.32 0.36 1 27 PHE 3.20 1.18 1 28 ALA -0.35 -0.47 1 29 ASP -2.24 -0.99 1 32 LEU 4.38 0.17 1 33 ASN 4.02 4.10 1 34 LYS 3.47 2.89 1 35 ALA 2.88 2.46 1 36 VAL -1.35 0.11 1 38 LEU 2.28 -1.45 1 40 GLU -3.69 -0.09 1 41 ARG 3.93 1.19 1 45 HIS -0.52 0.85 1 46 ALA 4.69 2.00 1 47 ALA 4.25 3.21 1 48 LEU 3.66 2.89 1 49 GLU 6.12 1.98 1 50 ARG 5.29 3.31 1 51 LEU 3.72 2.94 1 53 LEU 4.46 1.73 1 54 ALA 4.09 3.26 1 55 THR 6.55 2.98 1 56 MET 3.49 1.96 1 57 THR 4.21 0.03 1 58 ASP 3.19 0.92 1 60 LEU -4.05 -2.50 1 61 SER 3.00 -1.55 1 62 ILE -5.54 -2.88 1 63 ALA -5.68 -2.90 1 64 ALA -4.50 -2.55 1 65 MET -3.59 -0.11 1 66 ASP -2.49 0.72 1 68 ASP -0.05 -0.62 1 69 LYS -0.94 -1.36 1 70 VAL 1.00 -0.29 1 71 LEU -1.20 -1.08 1 73 VAL -6.44 -4.36 1 74 ALA -4.73 -1.89 1 75 LEU -1.61 -3.00 1 76 ASN -4.74 -1.63 1 78 ILE -0.18 -1.72 1 79 LEU -4.55 -2.78 1 80 ARG -3.22 0.63 1 83 ASP 3.51 3.16 1 84 ILE 4.97 1.26 1 85 GLU 7.32 3.50 1 86 GLN 3.86 2.74 1 87 SER 6.55 1.63 1 88 ILE 5.05 1.62 1 89 GLU 3.35 3.00 1 90 LYS 3.90 3.91 1 91 ILE 4.19 1.75 1 92 LYS 3.42 1.36 1 93 GLN 0.00 0.20 1 95 THR 0.63 -0.95 1 96 ASP -1.44 -1.24 1 97 GLU 2.78 2.08 1 98 LYS 3.62 0.12 1 99 PHE 3.08 1.28 1 100 ASN 4.08 2.21 1 101 LYS 4.09 2.55 1 102 ILE 3.85 -0.15 1 103 PHE 7.34 1.12 1 104 ASN 4.41 3.95 1 105 ILE 6.07 -1.33 1 106 LEU 4.75 3.62 1 107 TYR 1.19 2.69 1 108 THR 6.54 1.70 1 109 VAL 6.21 2.80 1 110 SER 6.26 2.38 1 111 ARG 4.91 3.25 1 112 ASP 3.65 0.87 1 113 LEU 0.18 -0.21 1 114 ASN 2.33 2.77 1 115 LEU 2.34 0.82 1 116 PHE 5.91 2.66 1 117 ASN 2.21 2.30 1 118 THR 5.72 0.65 1 119 PHE 1.77 -2.19 1 120 GLU 3.53 -1.23 1 121 VAL -6.67 -1.39 1 122 ASP -1.31 -0.62 1 123 LEU -4.53 -2.07 1 124 ILE -4.85 -2.52 1 125 MET -0.93 -3.27 1 126 GLU -6.64 -1.71 1 128 ARG 3.23 -0.47 1 129 ILE -6.16 -2.14 1 130 ILE -2.34 -2.81 1 132 VAL -4.96 -1.03 1 133 HIS 0.56 2.57 1 135 ASN 2.19 0.48 1 136 ALA -2.61 -0.95 1 141 LEU 3.06 0.28 1 142 ALA 4.26 0.82 1 143 LYS 4.24 1.00 1 144 GLU 2.91 2.23 1 145 LEU 3.22 2.12 1 146 MET 6.03 1.03 1 147 LYS 4.92 2.61 1 148 ARG 4.19 3.16 1 149 SER 7.70 -0.32 1 150 ILE 5.91 1.46 1 151 ASP 4.49 1.87 1 152 LEU 2.72 2.51 1 153 ALA 3.92 2.03 1 154 ARG 4.45 4.84 1 155 ASP 3.41 0.92 1 156 ASN -0.16 -2.72 1 158 PHE 0.94 1.10 1 159 LYS -0.73 0.17 1 160 LEU -5.42 -5.05 1 161 PHE -5.83 -2.95 1 162 LYS -6.93 -3.91 1 163 VAL -4.59 -2.23 1 164 ASP 0.55 -2.71 1 165 ALA -1.32 0.13 1 166 THR 1.09 -0.91 1 168 ALA 3.28 2.50 1 169 PHE 4.93 1.39 1 170 SER 4.29 3.77 1 171 GLN 7.42 1.45 1 172 ARG 4.88 3.61 1 173 ILE 5.03 2.98 1 175 ARG 5.00 4.15 1 176 SER 4.00 0.37 1 177 LEU -0.29 -2.88 1 178 SER 4.35 0.14 1 179 LEU 3.61 -1.60 1 180 GLU -4.33 -0.67 1 181 GLU -1.65 -0.96 1 182 LEU -1.26 -1.19 1 183 LYS -5.22 -3.43 1 184 SER -3.53 -0.77 1 185 VAL -3.08 -1.79 1 186 ARG 0.07 2.37 1 187 TYR 4.66 2.40 1 188 ASP 2.30 -0.09 1 189 GLU -1.84 -0.82 1 190 TYR 1.68 4.17 1 192 ASP -1.60 1.57 1 193 GLU 3.59 0.70 1 194 SER -0.36 0.37 1 198 ILE 3.18 -0.63 1 199 PHE -3.30 -1.52 1 200 ARG 0.51 -1.68 1 205 ASP 0.21 -0.17 1 206 HIS -1.11 1.41 1 207 ALA -4.84 -4.29 1 208 LEU -1.55 -1.82 1 210 VAL 2.00 -1.72 1 211 MET -4.07 -0.96 1 212 ILE -9.33 -1.73 1 213 LEU -6.45 -2.00 1 214 LYS 1.30 -1.80 1 stop_ save_