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 bmr17432_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.61 _LACS_plot.Line_1_terminator_val_y_1 -3.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.34 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 5.47 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 HIS -3.53 3.41 0 28 HIS 2.01 6.66 0 10 ALA 2.66 1.82 1 11 GLU 3.30 2.40 1 12 GLU -2.30 -0.99 1 13 ALA -2.38 -1.23 1 14 LEU -0.02 -1.92 1 17 ARG 0.18 -1.31 1 18 THR 2.50 1.71 1 19 GLU -1.40 -0.85 1 21 ILE 0.29 0.01 1 23 VAL -2.15 -2.88 1 24 THR 3.35 1.95 1 25 ALA 1.00 1.60 1 26 LYS -4.70 -1.99 1 29 VAL 2.26 1.72 1 30 SER -1.49 0.16 1 32 ASN 0.59 -1.07 1 33 ARG -6.29 -5.58 1 35 VAL -6.42 -3.60 1 36 GLU 1.73 1.18 1 38 PHE 2.64 0.91 1 40 GLU 1.90 1.32 1 42 THR -3.50 -1.54 1 43 GLN -5.66 -2.27 1 44 MET -5.36 -1.44 1 45 ALA -7.35 -2.69 1 46 VAL -1.27 -0.79 1 47 PHE -7.24 -2.75 1 49 MET -5.30 -1.80 1 52 PHE -0.30 -0.60 1 53 TRP -0.05 -0.28 1 55 ALA 0.79 2.40 1 56 GLU 1.05 4.07 1 57 ARG 0.25 0.54 1 58 LYS 2.20 -0.06 1 59 PHE -0.88 1.81 1 60 TRP 7.35 2.90 1 61 VAL 0.06 -0.97 1 62 LEU -0.03 -0.56 1 63 LYS 3.08 1.36 1 65 VAL 3.33 1.95 1 66 TYR 1.30 2.00 1 67 SER -2.62 -1.61 1 68 THR -3.71 -1.96 1 69 GLN -4.79 -0.37 1 70 VAL -5.36 -3.61 1 72 PHE -7.23 -4.53 1 73 ALA -4.92 -0.22 1 76 HIS -3.25 1.55 1 77 THR 0.35 2.33 1 78 ARG 2.26 2.84 1 81 THR -4.44 -3.05 1 82 TYR 5.80 5.00 1 83 LYS 4.18 3.51 1 84 GLU 2.99 2.32 1 85 VAL 7.90 4.20 1 87 SER 0.35 1.89 1 89 LYS 2.37 0.52 1 90 THR -2.09 -0.19 1 92 HIS -2.32 2.23 1 93 ALA -3.13 -2.21 1 94 GLU 3.00 0.90 1 95 VAL -7.29 -3.44 1 96 VAL -5.62 -3.30 1 97 ARG -4.20 -1.90 1 98 VAL -1.53 -1.21 1 99 VAL 0.41 -1.23 1 100 TYR -6.18 -2.96 1 101 ARG -0.90 -0.83 1 103 GLU 3.28 1.07 1 104 HIS -5.53 0.91 1 105 ILE -1.25 -0.12 1 106 SER -5.72 -2.21 1 107 PHE 4.54 3.70 1 108 GLU 6.55 5.16 1 109 GLU 2.76 2.66 1 110 LEU 4.02 2.77 1 111 LEU 2.68 1.68 1 112 LYS 4.77 4.62 1 113 VAL 3.48 3.56 1 114 PHE 4.22 2.62 1 116 GLU 0.83 1.14 1 117 ASN 0.09 0.77 1 118 HIS -2.29 -0.50 1 119 ASP 0.04 -2.14 1 121 THR -0.09 0.21 1 124 MET 0.30 -3.60 1 125 ARG -1.80 -0.65 1 126 GLN -1.30 -0.62 1 128 ASN -0.27 -0.16 1 129 ASP 1.87 -0.27 1 130 PHE -1.13 0.07 1 132 THR 2.32 2.56 1 133 GLN 1.80 0.10 1 134 TYR -1.15 -1.87 1 135 ARG -0.09 -1.19 1 136 SER 2.70 0.39 1 137 ALA -3.10 0.10 1 138 VAL -1.76 0.03 1 139 TYR 7.49 6.51 1 141 THR -0.63 -0.77 1 142 SER -4.58 -1.93 1 143 ALA 3.08 2.32 1 144 VAL 4.37 3.21 1 145 GLN 2.66 2.79 1 146 MET 3.90 3.14 1 147 GLU 3.54 3.05 1 148 ALA 2.48 2.38 1 149 ALA 3.83 3.13 1 150 LEU 4.03 3.24 1 151 ARG 3.87 3.30 1 152 SER 3.96 2.87 1 153 LYS 4.42 3.63 1 154 GLU 3.14 2.31 1 155 GLU 2.58 2.09 1 156 TYR 3.15 0.55 1 157 GLN 2.48 2.63 1 158 LYS 4.18 3.70 1 159 VAL 4.30 2.80 1 160 LEU 5.04 3.34 1 161 SER 0.89 0.02 1 162 LYS 3.16 2.03 1 163 HIS 0.64 1.42 1 164 ASN 4.31 1.89 1 165 PHE -0.78 0.99 1 168 ILE 1.92 2.18 1 169 THR 0.56 -0.01 1 170 THR 3.38 3.64 1 171 ASP -3.15 -1.54 1 172 ILE 0.31 -0.46 1 173 ARG -7.61 -0.45 1 174 GLU -2.60 0.08 1 176 GLN -0.55 -1.97 1 177 VAL -0.87 -0.39 1 178 PHE -1.10 -0.01 1 179 TYR -2.16 -0.24 1 180 TYR 2.17 1.77 1 181 ALA -4.80 -2.63 1 182 GLU 1.60 2.45 1 183 ASP 2.33 3.79 1 184 TYR 3.57 1.74 1 185 HIS -0.43 3.42 1 186 GLN 3.53 -0.14 1 187 GLN 5.40 2.60 1 188 TYR 5.00 5.80 1 189 LEU 1.38 0.48 1 190 SER 7.61 3.08 1 191 LYS 2.30 2.40 1 192 ASN -0.81 -1.20 1 194 ASP -0.01 -0.61 1 196 TYR 0.06 0.73 1 199 LEU -0.98 0.00 1 202 THR -0.28 1.42 1 204 VAL 0.93 -0.79 1 205 SER 1.51 0.98 1 208 MET -1.55 -0.87 1 209 ALA -0.14 -0.41 1 210 ILE -0.36 -0.43 1 211 LYS 0.15 0.02 1 212 LYS 0.68 1.37 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17432_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.61 _LACS_plot.Line_1_terminator_val_y_1 4.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.66 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 -2.43 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 HIS -3.53 6.94 0 28 HIS 2.01 4.65 0 10 ALA 2.66 -0.84 1 11 GLU 3.30 -0.90 1 12 GLU -2.30 1.31 1 13 ALA -2.38 1.15 1 14 LEU -0.02 -1.90 1 17 ARG 0.18 -1.49 1 18 THR 2.50 -0.79 1 19 GLU -1.40 0.55 1 21 ILE 0.29 -0.28 1 23 VAL -2.15 -0.73 1 24 THR 3.35 -1.40 1 25 ALA 1.00 0.60 1 26 LYS -4.70 2.71 1 29 VAL 2.26 -0.54 1 30 SER -1.49 1.65 1 32 ASN 0.59 -1.66 1 33 ARG -6.29 0.71 1 35 VAL -6.42 2.82 1 36 GLU 1.73 -0.55 1 38 PHE 2.64 -1.73 1 40 GLU 1.90 -0.58 1 42 THR -3.50 1.96 1 43 GLN -5.66 3.39 1 44 MET -5.36 3.92 1 45 ALA -7.35 4.66 1 46 VAL -1.27 0.48 1 47 PHE -7.24 4.49 1 49 MET -5.30 3.50 1 52 PHE -0.30 -0.30 1 53 TRP -0.05 -0.23 1 55 ALA 0.79 1.61 1 56 GLU 1.05 3.02 1 57 ARG 0.25 0.29 1 58 LYS 2.20 -2.26 1 59 PHE -0.88 2.69 1 60 TRP 7.35 -4.45 1 61 VAL 0.06 -1.03 1 62 LEU -0.03 -0.53 1 63 LYS 3.08 -1.72 1 65 VAL 3.33 -1.38 1 66 TYR 1.30 0.70 1 67 SER -2.62 1.01 1 68 THR -3.71 1.75 1 69 GLN -4.79 4.42 1 70 VAL -5.36 1.75 1 72 PHE -7.23 2.70 1 73 ALA -4.92 4.70 1 76 HIS -3.25 4.80 1 77 THR 0.35 1.98 1 78 ARG 2.26 0.58 1 81 THR -4.44 1.39 1 82 TYR 5.80 -0.80 1 83 LYS 4.18 -0.67 1 84 GLU 2.99 -0.67 1 85 VAL 7.90 -3.70 1 87 SER 0.35 1.54 1 89 LYS 2.37 -1.85 1 90 THR -2.09 1.90 1 92 HIS -2.32 4.55 1 93 ALA -3.13 0.92 1 94 GLU 3.00 -2.10 1 95 VAL -7.29 3.85 1 96 VAL -5.62 2.32 1 97 ARG -4.20 2.30 1 98 VAL -1.53 0.32 1 99 VAL 0.41 -1.64 1 100 TYR -6.18 3.22 1 101 ARG -0.90 0.07 1 103 GLU 3.28 -2.21 1 104 HIS -5.53 6.44 1 105 ILE -1.25 1.13 1 106 SER -5.72 3.51 1 107 PHE 4.54 -0.84 1 108 GLU 6.55 -1.39 1 109 GLU 2.76 -0.10 1 110 LEU 4.02 -1.25 1 111 LEU 2.68 -1.00 1 112 LYS 4.77 -0.15 1 113 VAL 3.48 0.08 1 114 PHE 4.22 -1.60 1 116 GLU 0.83 0.31 1 117 ASN 0.09 0.68 1 118 HIS -2.29 1.79 1 119 ASP 0.04 -2.18 1 121 THR -0.09 0.30 1 124 MET 0.30 -3.90 1 125 ARG -1.80 1.15 1 126 GLN -1.30 0.68 1 128 ASN -0.27 0.11 1 129 ASP 1.87 -2.14 1 130 PHE -1.13 1.20 1 132 THR 2.32 0.24 1 133 GLN 1.80 -1.70 1 134 TYR -1.15 -0.72 1 135 ARG -0.09 -1.10 1 136 SER 2.70 -2.31 1 137 ALA -3.10 3.20 1 138 VAL -1.76 1.79 1 139 TYR 7.49 -0.98 1 141 THR -0.63 -0.14 1 142 SER -4.58 2.65 1 143 ALA 3.08 -0.76 1 144 VAL 4.37 -1.16 1 145 GLN 2.66 0.13 1 146 MET 3.90 -0.76 1 147 GLU 3.54 -0.49 1 148 ALA 2.48 -0.10 1 149 ALA 3.83 -0.70 1 150 LEU 4.03 -0.79 1 151 ARG 3.87 -0.57 1 152 SER 3.96 -1.09 1 153 LYS 4.42 -0.79 1 154 GLU 3.14 -0.83 1 155 GLU 2.58 -0.49 1 156 TYR 3.15 -2.60 1 157 GLN 2.48 0.15 1 158 LYS 4.18 -0.48 1 159 VAL 4.30 -1.50 1 160 LEU 5.04 -1.70 1 161 SER 0.89 -0.87 1 162 LYS 3.16 -1.13 1 163 HIS 0.64 0.78 1 164 ASN 4.31 -2.42 1 165 PHE -0.78 1.77 1 168 ILE 1.92 0.26 1 169 THR 0.56 -0.57 1 170 THR 3.38 0.26 1 171 ASP -3.15 1.61 1 172 ILE 0.31 -0.77 1 173 ARG -7.61 7.16 1 174 GLU -2.60 2.68 1 176 GLN -0.55 -1.42 1 177 VAL -0.87 0.48 1 178 PHE -1.10 1.09 1 179 TYR -2.16 1.92 1 180 TYR 2.17 -0.40 1 181 ALA -4.80 2.17 1 182 GLU 1.60 0.85 1 183 ASP 2.33 1.46 1 184 TYR 3.57 -1.83 1 185 HIS -0.43 3.85 1 186 GLN 3.53 -3.67 1 187 GLN 5.40 -2.80 1 188 TYR 5.00 0.80 1 189 LEU 1.38 -0.90 1 190 SER 7.61 -4.53 1 191 LYS 2.30 0.10 1 192 ASN -0.81 -0.39 1 194 ASP -0.01 -0.60 1 196 TYR 0.06 0.67 1 199 LEU -0.98 0.98 1 202 THR -0.28 1.70 1 204 VAL 0.93 -1.72 1 205 SER 1.51 -0.53 1 208 MET -1.55 0.68 1 209 ALA -0.14 -0.27 1 210 ILE -0.36 -0.07 1 211 LYS 0.15 -0.13 1 212 LYS 0.68 0.69 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17432_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.61 _LACS_plot.Line_1_terminator_val_y_1 0.61 _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 0.10 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 139 TYR 7.49 1.13 0 10 ALA 2.66 -1.65 1 11 GLU 3.30 -0.45 1 12 GLU -2.30 -0.13 1 13 ALA -2.38 0.01 1 14 LEU -0.02 -0.01 1 17 ARG 0.18 0.55 1 18 THR 2.50 -0.38 1 19 GLU -1.40 -0.03 1 21 ILE 0.29 -0.25 1 23 VAL -2.15 0.38 1 24 THR 3.35 -0.26 1 25 ALA 1.00 -0.10 1 26 LYS -4.70 0.49 1 27 HIS -3.53 -0.80 1 28 HIS 2.01 -0.82 1 29 VAL 2.26 -0.51 1 30 SER -1.49 -0.24 1 32 ASN 0.59 -0.03 1 33 ARG -6.29 0.36 1 35 VAL -6.42 0.13 1 36 GLU 1.73 -1.61 1 38 PHE 2.64 -0.28 1 40 GLU 1.90 -0.33 1 42 THR -3.50 0.25 1 43 GLN -5.66 0.00 1 44 MET -5.36 1.11 1 45 ALA -7.35 0.52 1 46 VAL -1.27 0.55 1 47 PHE -7.24 0.29 1 49 MET -5.30 -0.57 1 52 PHE -0.30 -0.02 1 53 TRP -0.05 1.00 1 55 ALA 0.79 -0.41 1 56 GLU 1.05 -0.47 1 57 ARG 0.25 0.41 1 58 LYS 2.20 -0.75 1 59 PHE -0.88 -0.02 1 60 TRP 7.35 -0.09 1 61 VAL 0.06 0.30 1 62 LEU -0.03 -0.13 1 63 LYS 3.08 -0.25 1 65 VAL 3.33 -0.19 1 66 TYR 1.30 -0.21 1 67 SER -2.62 -0.08 1 68 THR -3.71 1.25 1 69 GLN -4.79 0.63 1 70 VAL -5.36 1.46 1 72 PHE -7.23 1.37 1 73 ALA -4.92 0.65 1 76 HIS -3.25 -0.11 1 77 THR 0.35 -0.60 1 78 ARG 2.26 -0.90 1 81 THR -4.44 0.34 1 82 TYR 5.80 -0.46 1 83 LYS 4.18 -0.56 1 84 GLU 2.99 -0.63 1 85 VAL 7.90 -0.82 1 87 SER 0.35 -0.17 1 89 LYS 2.37 0.10 1 90 THR -2.09 0.94 1 92 HIS -2.32 -0.70 1 93 ALA -3.13 0.38 1 94 GLU 3.00 0.29 1 95 VAL -7.29 1.46 1 96 VAL -5.62 0.83 1 97 ARG -4.20 0.64 1 98 VAL -1.53 0.01 1 99 VAL 0.41 0.70 1 100 TYR -6.18 0.95 1 101 ARG -0.90 0.23 1 103 GLU 3.28 -0.16 1 104 HIS -5.53 0.17 1 105 ILE -1.25 0.25 1 106 SER -5.72 0.47 1 107 PHE 4.54 -0.63 1 108 GLU 6.55 -0.62 1 109 GLU 2.76 -0.50 1 110 LEU 4.02 -0.49 1 111 LEU 2.68 -0.88 1 112 LYS 4.77 -0.37 1 113 VAL 3.48 -0.78 1 114 PHE 4.22 -0.70 1 116 GLU 0.83 -0.29 1 117 ASN 0.09 0.05 1 118 HIS -2.29 -0.33 1 119 ASP 0.04 -0.11 1 121 THR -0.09 0.67 1 124 MET 0.30 0.08 1 125 ARG -1.80 0.12 1 126 GLN -1.30 0.50 1 128 ASN -0.27 -0.04 1 129 ASP 1.87 -0.12 1 130 PHE -1.13 -0.19 1 132 THR 2.32 -0.13 1 133 GLN 1.80 0.82 1 134 TYR -1.15 0.32 1 135 ARG -0.09 -0.05 1 136 SER 2.70 0.10 1 137 ALA -3.10 0.78 1 138 VAL -1.76 -0.24 1 141 THR -0.63 0.16 1 142 SER -4.58 0.22 1 143 ALA 3.08 -0.17 1 144 VAL 4.37 -0.19 1 145 GLN 2.66 -0.66 1 146 MET 3.90 -0.31 1 147 GLU 3.54 -0.02 1 148 ALA 2.48 -0.02 1 149 ALA 3.83 -0.02 1 150 LEU 4.03 -0.17 1 151 ARG 3.87 -0.10 1 152 SER 3.96 -0.20 1 153 LYS 4.42 -0.90 1 154 GLU 3.14 -0.32 1 155 GLU 2.58 -0.30 1 156 TYR 3.15 -0.10 1 157 GLN 2.48 -0.70 1 158 LYS 4.18 -0.30 1 159 VAL 4.30 -0.09 1 160 LEU 5.04 -0.48 1 161 SER 0.89 -0.02 1 162 LYS 3.16 -0.22 1 163 HIS 0.64 -0.19 1 164 ASN 4.31 -0.39 1 165 PHE -0.78 -0.17 1 168 ILE 1.92 -0.23 1 169 THR 0.56 0.07 1 170 THR 3.38 -0.69 1 171 ASP -3.15 -0.08 1 172 ILE 0.31 1.42 1 173 ARG -7.61 0.52 1 174 GLU -2.60 0.03 1 176 GLN -0.55 -0.23 1 177 VAL -0.87 -0.35 1 178 PHE -1.10 -0.27 1 179 TYR -2.16 0.08 1 180 TYR 2.17 -0.93 1 181 ALA -4.80 0.24 1 182 GLU 1.60 -0.33 1 183 ASP 2.33 -0.07 1 184 TYR 3.57 -0.30 1 185 HIS -0.43 -0.30 1 186 GLN 3.53 -0.37 1 187 GLN 5.40 -0.24 1 189 LEU 1.38 -0.09 1 190 SER 7.61 -0.13 1 191 LYS 2.30 -0.86 1 192 ASN -0.81 -0.22 1 194 ASP -0.01 0.21 1 196 TYR 0.06 0.11 1 199 LEU -0.98 0.08 1 202 THR -0.28 -0.65 1 204 VAL 0.93 -0.35 1 205 SER 1.51 -0.28 1 208 MET -1.55 -0.01 1 209 ALA -0.14 -0.03 1 210 ILE -0.36 -0.09 1 211 LYS 0.15 -0.01 1 212 LYS 0.68 -0.19 1 stop_ save_