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 bmr26609_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.25 _LACS_plot.Line_1_terminator_val_y_1 -3.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.01 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 4.81 _LACS_plot.Y_axis_chem_shift_offset 0.56 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 ASP 7.54 6.33 0 33 HIS 5.71 5.85 0 59 HIS -1.66 2.34 0 10 GLU 0.01 -0.45 1 11 VAL 1.33 -0.05 1 12 LEU 0.15 -0.73 1 13 SER -1.19 -0.80 1 15 LEU 1.28 -1.49 1 18 VAL 3.55 0.72 1 19 ARG 3.95 2.42 1 20 LYS 1.79 0.93 1 21 ARG -0.75 -0.97 1 24 MET 1.94 0.11 1 25 TYR -1.53 0.78 1 26 THR -2.28 -2.78 1 27 ASP -2.10 -2.13 1 28 THR 2.57 0.00 1 29 THR 5.24 4.22 1 30 ARG 0.64 -0.22 1 32 ASN 7.61 6.15 1 34 LEU 4.75 2.53 1 35 ALA 3.50 2.50 1 36 GLN 5.79 3.43 1 37 GLU 3.69 1.97 1 38 VAL 5.49 3.69 1 39 ILE 5.07 4.07 1 40 ASP 5.77 3.36 1 41 ASN 3.84 2.83 1 42 SER 4.73 4.85 1 43 VAL 6.81 3.77 1 44 ASP 5.66 3.34 1 45 GLU 2.01 0.44 1 46 ALA 1.01 1.82 1 47 LEU 4.01 2.35 1 48 ALA 0.34 -0.61 1 50 HIS -1.79 1.72 1 51 ALA -2.02 -1.85 1 52 LYS -0.49 -0.40 1 53 SER -2.28 -1.30 1 54 VAL -3.81 -1.86 1 55 GLN -4.40 -2.43 1 56 VAL -1.31 -1.33 1 57 ILE -3.31 -2.22 1 58 LEU -2.32 -2.02 1 60 GLN 3.73 1.79 1 61 ASP 0.41 -2.06 1 62 ASN 4.24 2.41 1 63 SER -0.20 -1.22 1 64 LEU -5.32 -2.92 1 65 GLU -7.25 -3.42 1 66 VAL -2.09 -1.70 1 67 ILE -4.30 -1.11 1 68 ASP -4.98 -1.75 1 69 ASP -0.16 -1.98 1 71 ARG 1.57 2.49 1 73 MET 1.12 1.35 1 75 VAL -0.87 -2.60 1 76 ASP -0.03 -0.81 1 77 ILE 2.06 -1.23 1 78 HIS -0.28 1.90 1 80 GLU 0.91 1.03 1 81 GLU 0.16 -0.06 1 83 VAL -2.16 -2.89 1 86 VAL 3.09 1.83 1 87 GLU 3.03 2.75 1 88 LEU 3.99 2.62 1 90 LEU 2.08 -0.38 1 91 THR -0.96 -0.11 1 92 LYS -2.07 -2.14 1 93 LEU 3.99 2.51 1 95 ALA 0.80 0.20 1 98 LYS 1.59 -0.06 1 99 PHE 0.84 -0.35 1 100 SER 0.19 -0.24 1 102 LYS 1.76 0.19 1 103 ASN 0.74 0.02 1 104 TYR 1.02 -0.04 1 105 GLN 0.89 -0.11 1 106 PHE 0.84 -0.13 1 107 SER 0.34 -0.27 1 110 LEU 0.89 -0.40 1 111 HIS 0.68 0.95 1 113 VAL 1.26 0.31 1 115 ILE 5.83 2.38 1 117 VAL 5.69 3.43 1 118 VAL 5.88 2.44 1 119 ASN 2.56 1.63 1 120 ALA 2.34 1.68 1 121 LEU 0.22 -2.46 1 122 SER -0.72 1.08 1 123 THR 3.66 2.12 1 124 ARG -2.77 -0.84 1 125 VAL -3.07 -0.48 1 126 GLU -4.05 -1.54 1 127 VAL -2.76 -2.00 1 128 ARG -4.38 -2.21 1 129 VAL -4.78 -1.72 1 130 LYS -0.26 -1.55 1 131 ARG -0.89 0.57 1 132 ASP 3.55 1.45 1 133 ALA 3.28 0.88 1 134 ASN -5.29 -1.34 1 135 GLU -2.84 -2.57 1 136 TYR -4.56 -1.99 1 137 ARG -5.75 -1.87 1 138 MET -2.14 0.92 1 139 THR -4.13 -2.33 1 140 PHE -5.06 -1.29 1 141 ALA -2.25 -0.95 1 142 ASP 2.86 1.28 1 144 PHE -2.25 -1.67 1 145 LYS 4.31 2.20 1 146 ASP -1.31 -0.67 1 147 SER -1.65 -1.19 1 148 ASP -0.76 -0.42 1 149 LEU 2.15 0.68 1 150 GLU -5.28 -2.63 1 151 VAL 2.50 0.15 1 152 ILE 0.08 -0.72 1 154 THR -2.06 -1.37 1 155 VAL -5.35 -3.25 1 157 LYS 4.45 2.94 1 158 ARG 1.99 -0.65 1 159 ASN 0.70 -0.98 1 160 THR -4.57 -2.55 1 162 THR -0.82 0.53 1 163 SER -3.47 -2.70 1 164 VAL -1.87 -0.89 1 165 HIS -6.95 -4.14 1 166 PHE -5.66 -2.56 1 167 TRP -2.69 -0.45 1 169 ASP -0.68 -0.55 1 171 LYS 4.36 1.66 1 172 TYR 0.74 -0.17 1 173 PHE -5.37 -1.55 1 174 ASP 4.46 2.85 1 175 SER -2.53 -2.29 1 176 ALA 0.29 -1.00 1 177 LYS 0.68 -1.18 1 178 PHE 2.01 1.41 1 179 SER 0.24 -2.12 1 180 VAL 7.07 4.83 1 182 ARG 4.57 2.44 1 183 LEU 3.89 2.56 1 184 LYS 6.12 4.09 1 185 HIS 3.21 4.40 1 186 VAL 4.87 2.72 1 187 LEU 5.05 2.39 1 188 LYS 5.83 3.06 1 189 ALA 3.87 1.63 1 190 LYS 4.02 0.15 1 191 ALA 4.21 2.20 1 192 VAL 4.06 2.33 1 193 LEU 1.49 0.98 1 197 LEU -0.81 -0.28 1 198 SER 0.60 -1.01 1 199 VAL -1.57 -1.55 1 200 VAL -3.96 -2.17 1 201 PHE -5.67 -2.94 1 202 GLU -6.07 -3.27 1 203 ASP -3.58 -3.01 1 204 LYS 2.03 0.00 1 205 ASN 3.33 3.06 1 206 THR -1.95 -1.11 1 208 GLU 0.33 0.17 1 209 ARG -1.74 -1.20 1 210 VAL -3.46 -2.33 1 211 GLU -5.68 -3.47 1 212 TRP -1.20 0.34 1 213 HIS -1.07 0.40 1 214 PHE -0.81 -0.89 1 215 GLU -0.76 -0.63 1 216 ASP -0.09 -0.41 1 218 LEU 0.73 -0.45 1 219 GLU 0.59 -0.26 1 220 HIS -0.15 0.51 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 bmr26609_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.25 _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 -1.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.01 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 -2.80 _LACS_plot.Y_axis_chem_shift_offset 0.56 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 ASP 7.54 -1.21 0 33 HIS 5.71 0.14 0 59 HIS -1.66 4.00 0 10 GLU 0.01 -0.46 1 11 VAL 1.33 -1.38 1 12 LEU 0.15 -0.88 1 13 SER -1.19 0.39 1 15 LEU 1.28 -2.77 1 18 VAL 3.55 -2.83 1 19 ARG 3.95 -1.53 1 20 LYS 1.79 -0.86 1 21 ARG -0.75 -0.22 1 24 MET 1.94 -1.83 1 25 TYR -1.53 2.31 1 26 THR -2.28 -0.50 1 27 ASP -2.10 -0.03 1 28 THR 2.57 -2.57 1 29 THR 5.24 -1.02 1 30 ARG 0.64 -0.86 1 32 ASN 7.61 -1.46 1 34 LEU 4.75 -2.22 1 35 ALA 3.50 -1.00 1 36 GLN 5.79 -2.36 1 37 GLU 3.69 -1.72 1 38 VAL 5.49 -1.80 1 39 ILE 5.07 -1.00 1 40 ASP 5.77 -2.41 1 41 ASN 3.84 -1.01 1 42 SER 4.73 0.12 1 43 VAL 6.81 -3.04 1 44 ASP 5.66 -2.32 1 45 GLU 2.01 -1.57 1 46 ALA 1.01 0.81 1 47 LEU 4.01 -1.66 1 48 ALA 0.34 -0.95 1 50 HIS -1.79 3.51 1 51 ALA -2.02 0.17 1 52 LYS -0.49 0.09 1 53 SER -2.28 0.98 1 54 VAL -3.81 1.95 1 55 GLN -4.40 1.97 1 56 VAL -1.31 -0.02 1 57 ILE -3.31 1.09 1 58 LEU -2.32 0.30 1 60 GLN 3.73 -1.94 1 61 ASP 0.41 -2.47 1 62 ASN 4.24 -1.83 1 63 SER -0.20 -1.02 1 64 LEU -5.32 2.40 1 65 GLU -7.25 3.83 1 66 VAL -2.09 0.39 1 67 ILE -4.30 3.19 1 68 ASP -4.98 3.23 1 69 ASP -0.16 -1.82 1 71 ARG 1.57 0.92 1 73 MET 1.12 0.23 1 75 VAL -0.87 -1.73 1 76 ASP -0.03 -0.78 1 77 ILE 2.06 -3.29 1 78 HIS -0.28 2.18 1 80 GLU 0.91 0.12 1 81 GLU 0.16 -0.22 1 83 VAL -2.16 -0.73 1 86 VAL 3.09 -1.26 1 87 GLU 3.03 -0.28 1 88 LEU 3.99 -1.37 1 90 LEU 2.08 -2.46 1 91 THR -0.96 0.85 1 92 LYS -2.07 -0.07 1 93 LEU 3.99 -1.48 1 95 ALA 0.80 -0.60 1 98 LYS 1.59 -1.65 1 99 PHE 0.84 -1.19 1 100 SER 0.19 -0.43 1 102 LYS 1.76 -1.57 1 103 ASN 0.74 -0.72 1 104 TYR 1.02 -1.06 1 105 GLN 0.89 -1.00 1 106 PHE 0.84 -0.97 1 107 SER 0.34 -0.61 1 110 LEU 0.89 -1.29 1 111 HIS 0.68 0.27 1 113 VAL 1.26 -0.95 1 115 ILE 5.83 -3.45 1 117 VAL 5.69 -2.26 1 118 VAL 5.88 -3.44 1 119 ASN 2.56 -0.93 1 120 ALA 2.34 -0.66 1 121 LEU 0.22 -2.68 1 122 SER -0.72 1.80 1 123 THR 3.66 -1.54 1 124 ARG -2.77 1.93 1 125 VAL -3.07 2.59 1 126 GLU -4.05 2.51 1 127 VAL -2.76 0.76 1 128 ARG -4.38 2.17 1 129 VAL -4.78 3.06 1 130 LYS -0.26 -1.29 1 131 ARG -0.89 1.46 1 132 ASP 3.55 -2.10 1 133 ALA 3.28 -2.40 1 134 ASN -5.29 3.95 1 135 GLU -2.84 0.27 1 136 TYR -4.56 2.57 1 137 ARG -5.75 3.88 1 138 MET -2.14 3.06 1 139 THR -4.13 1.80 1 140 PHE -5.06 3.77 1 141 ALA -2.25 1.30 1 142 ASP 2.86 -1.58 1 144 PHE -2.25 0.58 1 145 LYS 4.31 -2.11 1 146 ASP -1.31 0.64 1 147 SER -1.65 0.46 1 148 ASP -0.76 0.34 1 149 LEU 2.15 -1.47 1 150 GLU -5.28 2.65 1 151 VAL 2.50 -2.35 1 152 ILE 0.08 -0.80 1 154 THR -2.06 0.69 1 155 VAL -5.35 2.10 1 157 LYS 4.45 -1.51 1 158 ARG 1.99 -2.64 1 159 ASN 0.70 -1.68 1 160 THR -4.57 2.02 1 162 THR -0.82 1.35 1 163 SER -3.47 0.77 1 164 VAL -1.87 0.98 1 165 HIS -6.95 2.81 1 166 PHE -5.66 3.10 1 167 TRP -2.69 2.24 1 169 ASP -0.68 0.13 1 171 LYS 4.36 -2.70 1 172 TYR 0.74 -0.91 1 173 PHE -5.37 3.82 1 174 ASP 4.46 -1.61 1 175 SER -2.53 0.24 1 176 ALA 0.29 -1.29 1 177 LYS 0.68 -1.86 1 178 PHE 2.01 -0.60 1 179 SER 0.24 -2.36 1 180 VAL 7.07 -2.24 1 182 ARG 4.57 -2.13 1 183 LEU 3.89 -1.33 1 184 LYS 6.12 -2.03 1 185 HIS 3.21 1.19 1 186 VAL 4.87 -2.15 1 187 LEU 5.05 -2.66 1 188 LYS 5.83 -2.77 1 189 ALA 3.87 -2.24 1 190 LYS 4.02 -3.87 1 191 ALA 4.21 -2.01 1 192 VAL 4.06 -1.73 1 193 LEU 1.49 -0.51 1 197 LEU -0.81 0.53 1 198 SER 0.60 -1.61 1 199 VAL -1.57 0.02 1 200 VAL -3.96 1.79 1 201 PHE -5.67 2.73 1 202 GLU -6.07 2.80 1 203 ASP -3.58 0.57 1 204 LYS 2.03 -2.03 1 205 ASN 3.33 -0.27 1 206 THR -1.95 0.84 1 208 GLU 0.33 -0.16 1 209 ARG -1.74 0.54 1 210 VAL -3.46 1.13 1 211 GLU -5.68 2.21 1 212 TRP -1.20 1.54 1 213 HIS -1.07 1.47 1 214 PHE -0.81 -0.08 1 215 GLU -0.76 0.13 1 216 ASP -0.09 -0.32 1 218 LEU 0.73 -1.18 1 219 GLU 0.59 -0.85 1 220 HIS -0.15 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 bmr26609_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.25 _LACS_plot.Line_1_terminator_val_y_1 -2.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.04 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 2.00 _LACS_plot.Y_axis_chem_shift_offset 0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 ALA 1.01 4.18 0 92 LYS -2.07 3.24 0 59 HIS -1.66 3.68 0 10 GLU 0.01 -0.43 1 11 VAL 1.33 -0.14 1 12 LEU 0.15 -0.63 1 13 SER -1.19 0.40 1 15 LEU 1.28 0.58 1 18 VAL 3.55 -0.36 1 19 ARG 3.95 2.02 1 20 LYS 1.79 1.14 1 24 MET 1.94 -0.49 1 25 TYR -1.53 -2.38 1 26 THR -2.28 -2.85 1 27 ASP -2.10 -0.36 1 28 THR 2.57 0.75 1 29 THR 5.24 0.60 1 32 ASN 7.61 1.34 1 33 HIS 5.71 3.14 1 34 LEU 4.75 1.30 1 35 ALA 3.50 1.35 1 36 GLN 5.79 0.87 1 37 GLU 3.69 2.11 1 38 VAL 5.49 1.89 1 39 ILE 5.07 1.52 1 40 ASP 5.77 2.57 1 41 ASN 3.84 3.74 1 42 SER 4.73 1.28 1 43 VAL 6.81 1.82 1 44 ASP 5.66 2.93 1 45 GLU 2.01 2.30 1 47 LEU 4.01 1.31 1 48 ALA 0.34 -0.87 1 50 HIS -1.79 1.02 1 51 ALA -2.02 -2.36 1 52 LYS -0.49 0.41 1 53 SER -2.28 -1.89 1 54 VAL -3.81 -2.18 1 55 GLN -4.40 -1.80 1 56 VAL -1.31 -3.05 1 57 ILE -3.31 -1.88 1 58 LEU -2.32 -2.91 1 60 GLN 3.73 -0.34 1 61 ASP 0.41 0.42 1 62 ASN 4.24 -2.75 1 63 SER -0.20 -3.41 1 64 LEU -5.32 -4.20 1 65 GLU -7.25 -3.31 1 66 VAL -2.09 -2.24 1 67 ILE -4.30 -0.25 1 68 ASP -4.98 -1.35 1 69 ASP -0.16 1.23 1 71 ARG 1.57 1.47 1 75 VAL -0.87 -1.01 1 76 ASP -0.03 0.02 1 77 ILE 2.06 -0.17 1 80 GLU 0.91 1.46 1 81 GLU 0.16 1.97 1 86 VAL 3.09 -1.40 1 87 GLU 3.03 2.60 1 88 LEU 3.99 0.43 1 90 LEU 2.08 0.33 1 91 THR -0.96 -1.47 1 95 ALA 0.80 0.33 1 98 LYS 1.59 -0.26 1 99 PHE 0.84 -0.14 1 102 LYS 1.76 -0.35 1 103 ASN 0.74 -0.22 1 104 TYR 1.02 -0.32 1 105 GLN 0.89 -0.50 1 107 SER 0.34 0.30 1 111 HIS 0.68 3.47 1 113 VAL 1.26 0.21 1 115 ILE 5.83 -0.10 1 117 VAL 5.69 -0.36 1 118 VAL 5.88 1.77 1 119 ASN 2.56 0.54 1 120 ALA 2.34 -1.11 1 121 LEU 0.22 -2.43 1 122 SER -0.72 0.59 1 123 THR 3.66 2.25 1 124 ARG -2.77 -1.38 1 125 VAL -3.07 -1.75 1 126 GLU -4.05 -1.54 1 127 VAL -2.76 -2.00 1 128 ARG -4.38 -0.32 1 129 VAL -4.78 -2.10 1 130 LYS -0.26 -1.57 1 131 ARG -0.89 -0.92 1 132 ASP 3.55 -1.57 1 133 ALA 3.28 -1.57 1 134 ASN -5.29 -3.39 1 135 GLU -2.84 -2.27 1 136 TYR -4.56 0.04 1 137 ARG -5.75 -1.40 1 138 MET -2.14 -2.71 1 139 THR -4.13 -2.51 1 140 PHE -5.06 -1.01 1 141 ALA -2.25 -0.22 1 142 ASP 2.86 -0.86 1 144 PHE -2.25 0.26 1 145 LYS 4.31 -1.11 1 146 ASP -1.31 -1.51 1 147 SER -1.65 -2.24 1 148 ASP -0.76 -0.43 1 149 LEU 2.15 -1.29 1 150 GLU -5.28 -1.57 1 151 VAL 2.50 1.10 1 152 ILE 0.08 -0.44 1 154 THR -2.06 -0.12 1 155 VAL -5.35 -0.55 1 157 LYS 4.45 1.24 1 158 ARG 1.99 -1.09 1 159 ASN 0.70 -2.65 1 160 THR -4.57 0.04 1 162 THR -0.82 -2.28 1 163 SER -3.47 -0.34 1 164 VAL -1.87 -3.18 1 165 HIS -6.95 -0.71 1 166 PHE -5.66 -4.18 1 171 LYS 4.36 1.11 1 172 TYR 0.74 -1.47 1 173 PHE -5.37 0.45 1 174 ASP 4.46 1.24 1 175 SER -2.53 -1.59 1 176 ALA 0.29 -1.82 1 177 LYS 0.68 1.09 1 178 PHE 2.01 1.07 1 179 SER 0.24 2.31 1 180 VAL 7.07 1.64 1 182 ARG 4.57 3.57 1 183 LEU 3.89 0.41 1 184 LYS 6.12 1.52 1 185 HIS 3.21 4.14 1 186 VAL 4.87 1.10 1 187 LEU 5.05 0.16 1 188 LYS 5.83 1.26 1 189 ALA 3.87 3.51 1 190 LYS 4.02 0.49 1 191 ALA 4.21 1.26 1 192 VAL 4.06 1.11 1 193 LEU 1.49 -1.77 1 197 LEU -0.81 -0.88 1 198 SER 0.60 -1.35 1 199 VAL -1.57 -1.91 1 200 VAL -3.96 -2.10 1 201 PHE -5.67 -3.08 1 202 GLU -6.07 -4.39 1 203 ASP -3.58 1.71 1 204 LYS 2.03 2.05 1 205 ASN 3.33 1.39 1 206 THR -1.95 1.59 1 208 GLU 0.33 -2.19 1 209 ARG -1.74 -1.49 1 210 VAL -3.46 -4.66 1 211 GLU -5.68 -1.60 1 212 TRP -1.20 -1.96 1 213 HIS -1.07 -1.23 1 214 PHE -0.81 -0.80 1 215 GLU -0.76 -0.56 1 216 ASP -0.09 0.38 1 218 LEU 0.73 -0.37 1 219 GLU 0.59 -0.37 1 220 HIS -0.15 0.02 1 stop_ save_