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 bmr11036_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.96 _LACS_plot.Line_1_terminator_val_y_1 -1.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.56 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.54 _LACS_plot.Line_2_terminator_val_x_2 9.73 _LACS_plot.Line_2_terminator_val_y_2 7.33 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 PHE -5.88 -0.87 0 98 HIS 3.22 5.90 0 10 LYS -1.07 -0.36 1 13 ASP 1.72 0.04 1 14 LEU -3.51 -1.79 1 15 VAL -2.73 -2.33 1 16 MET -4.69 -1.28 1 18 ASN 2.51 2.56 1 19 GLN 1.20 2.27 1 21 GLU 4.45 1.39 1 22 PHE 0.55 -0.34 1 25 HIS 1.79 3.97 1 26 LEU 7.52 4.55 1 27 ASP 0.57 -0.20 1 29 HIS 5.80 4.71 1 30 LEU -5.96 -1.66 1 32 ALA 1.19 0.27 1 33 LEU -1.89 -1.09 1 34 GLN 0.50 0.65 1 35 ASP -4.83 -2.50 1 36 VAL 1.70 1.19 1 39 GLU 0.81 0.92 1 40 GLU 0.90 -0.21 1 41 TRP 2.03 2.43 1 42 SER -5.32 -3.13 1 44 SER 3.16 3.05 1 45 LEU 4.11 2.32 1 47 HIS -0.71 0.62 1 48 VAL 0.42 -0.08 1 49 LEU -0.08 -0.24 1 51 ASP 0.07 0.00 1 52 LEU -0.19 -0.15 1 53 LYS 0.60 -0.14 1 54 GLU -0.33 -0.01 1 55 GLU 0.77 -0.23 1 56 ASP 0.00 0.05 1 58 SER -0.05 -0.06 1 59 LEU -0.01 0.06 1 60 SER -0.15 -0.30 1 61 LEU 0.55 -0.14 1 62 ASP 0.06 0.08 1 64 ALA 0.12 0.14 1 65 ASP -0.19 -0.23 1 66 SER 0.19 0.05 1 67 THR 0.94 0.76 1 69 VAL 0.45 -0.13 1 70 VAL 0.16 -0.31 1 71 ALA -0.48 -0.38 1 72 LYS -3.78 -1.64 1 73 LEU -0.20 -0.13 1 74 SER 0.88 -0.24 1 76 ALA 2.81 2.50 1 77 ASN 3.00 2.11 1 78 GLN 6.22 3.93 1 79 ARG 2.78 1.56 1 80 LYS 3.63 4.53 1 82 GLU 4.12 3.29 1 83 ARG 4.83 4.13 1 84 VAL 5.97 4.93 1 85 LEU 3.54 2.46 1 86 LEU 4.21 2.88 1 87 ALA 4.52 2.94 1 88 LEU 4.46 3.59 1 89 PHE 4.28 5.03 1 91 HIS -2.48 -0.05 1 92 GLU 9.74 7.31 1 95 ARG 8.90 6.83 1 97 LEU 1.62 -0.39 1 99 GLN -1.81 -0.52 1 100 LEU -1.16 0.30 1 101 ALA -0.07 0.09 1 102 THR 0.12 0.00 1 103 ASP -0.27 -0.14 1 104 SER 0.59 0.65 1 105 THR 1.25 0.94 1 106 PHE 0.24 0.27 1 107 SER -0.24 -0.38 1 108 LEU 0.69 0.55 1 109 ASP 0.02 0.04 1 110 GLN -0.71 -0.45 1 114 THR 0.73 0.71 1 115 LEU -3.68 -0.57 1 116 ASP -3.30 -1.59 1 117 LEU 3.04 2.65 1 118 THR 7.68 6.27 1 119 LEU 3.27 3.36 1 120 ILE 4.56 4.45 1 121 ARG 5.03 4.37 1 122 ALA 3.80 2.70 1 123 ARG 5.03 3.90 1 124 LEU 2.14 2.46 1 125 GLN 0.06 -0.04 1 126 GLU 5.18 1.19 1 127 LYS 0.29 0.22 1 128 LEU -4.72 -1.62 1 129 SER -0.88 -0.27 1 132 TYR 2.57 2.48 1 133 SER -0.56 0.48 1 134 SER -0.85 -0.24 1 136 GLN 5.77 3.78 1 137 GLU 2.08 2.58 1 138 PHE 3.73 2.40 1 139 ALA 3.54 2.44 1 140 GLN 3.83 2.77 1 141 ASP 4.09 2.89 1 142 VAL 6.46 4.29 1 144 ARG 4.53 3.63 1 145 MET 4.69 3.33 1 146 PHE 3.78 1.74 1 147 LYS 4.04 3.28 1 148 GLN 3.76 2.74 1 149 PHE 2.93 2.76 1 151 LYS 2.13 1.36 1 152 LEU 0.80 0.89 1 153 THR -0.04 -0.27 1 154 GLU 1.04 1.12 1 155 ASP 1.01 0.51 1 156 LYS 0.48 0.19 1 157 ALA 0.00 0.09 1 158 ASP -0.18 -0.20 1 159 VAL 2.42 1.70 1 160 GLN 2.85 1.86 1 161 SER 2.64 1.79 1 162 ILE 3.09 1.86 1 163 ILE 4.21 2.97 1 165 LEU 4.21 2.64 1 166 GLN 5.32 3.75 1 167 ARG 4.01 2.94 1 168 PHE 4.99 4.28 1 169 PHE 3.81 3.39 1 170 GLU 3.77 3.24 1 171 THR 6.06 4.86 1 172 ARG 2.54 1.53 1 173 MET 4.48 2.05 1 174 ASN 3.44 2.75 1 175 GLU 3.03 2.43 1 176 ALA 1.35 1.68 1 177 PHE 1.44 1.48 1 179 ASP -0.22 -0.25 1 180 THR -0.12 0.08 1 181 LYS 1.17 0.45 1 182 PHE 0.39 -0.44 1 183 SER -0.06 -0.10 1 184 ALA 0.22 0.07 1 185 VAL 0.74 0.02 1 186 LEU -0.53 -0.63 1 187 VAL 0.10 -0.20 1 188 GLU -0.61 -0.04 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11036_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.96 _LACS_plot.Line_1_terminator_val_y_1 4.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.46 _LACS_plot.Line_2_terminator_val_x_2 9.73 _LACS_plot.Line_2_terminator_val_y_2 -2.40 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 PHE -5.88 5.01 0 98 HIS 3.22 2.68 0 10 LYS -1.07 0.71 1 13 ASP 1.72 -1.68 1 14 LEU -3.51 1.72 1 15 VAL -2.73 0.40 1 16 MET -4.69 3.41 1 18 ASN 2.51 0.05 1 19 GLN 1.20 1.07 1 21 GLU 4.45 -3.06 1 22 PHE 0.55 -0.89 1 25 HIS 1.79 2.18 1 26 LEU 7.52 -2.97 1 27 ASP 0.57 -0.77 1 29 HIS 5.80 -1.09 1 30 LEU -5.96 4.30 1 32 ALA 1.19 -0.92 1 33 LEU -1.89 0.80 1 34 GLN 0.50 0.15 1 35 ASP -4.83 2.33 1 36 VAL 1.70 -0.51 1 39 GLU 0.81 0.11 1 40 GLU 0.90 -1.11 1 41 TRP 2.03 0.40 1 42 SER -5.32 2.19 1 44 SER 3.16 -0.11 1 45 LEU 4.11 -1.79 1 47 HIS -0.71 1.33 1 48 VAL 0.42 -0.50 1 49 LEU -0.08 -0.16 1 51 ASP 0.07 -0.07 1 52 LEU -0.19 0.04 1 53 LYS 0.60 -0.74 1 54 GLU -0.33 0.32 1 55 GLU 0.77 -1.00 1 56 ASP 0.00 0.05 1 58 SER -0.05 -0.01 1 59 LEU -0.01 0.07 1 60 SER -0.15 -0.15 1 61 LEU 0.55 -0.69 1 62 ASP 0.06 0.02 1 64 ALA 0.12 0.02 1 65 ASP -0.19 -0.04 1 66 SER 0.19 -0.14 1 67 THR 0.94 -0.18 1 69 VAL 0.45 -0.58 1 70 VAL 0.16 -0.47 1 71 ALA -0.48 0.10 1 72 LYS -3.78 2.14 1 73 LEU -0.20 0.07 1 74 SER 0.88 -1.12 1 76 ALA 2.81 -0.31 1 77 ASN 3.00 -0.89 1 78 GLN 6.22 -2.29 1 79 ARG 2.78 -1.22 1 80 LYS 3.63 0.90 1 82 GLU 4.12 -0.83 1 83 ARG 4.83 -0.70 1 84 VAL 5.97 -1.04 1 85 LEU 3.54 -1.08 1 86 LEU 4.21 -1.33 1 87 ALA 4.52 -1.58 1 88 LEU 4.46 -0.87 1 89 PHE 4.28 0.75 1 91 HIS -2.48 2.43 1 92 GLU 9.74 -2.43 1 95 ARG 8.90 -2.07 1 97 LEU 1.62 -2.01 1 99 GLN -1.81 1.29 1 100 LEU -1.16 1.46 1 101 ALA -0.07 0.16 1 102 THR 0.12 -0.12 1 103 ASP -0.27 0.13 1 104 SER 0.59 0.06 1 105 THR 1.25 -0.31 1 106 PHE 0.24 0.03 1 107 SER -0.24 -0.14 1 108 LEU 0.69 -0.14 1 109 ASP 0.02 0.02 1 110 GLN -0.71 0.26 1 114 THR 0.73 -0.02 1 115 LEU -3.68 3.11 1 116 ASP -3.30 1.71 1 117 LEU 3.04 -0.39 1 118 THR 7.68 -1.41 1 119 LEU 3.27 0.09 1 120 ILE 4.56 -0.11 1 121 ARG 5.03 -0.66 1 122 ALA 3.80 -1.10 1 123 ARG 5.03 -1.13 1 124 LEU 2.14 0.32 1 125 GLN 0.06 -0.10 1 126 GLU 5.18 -3.99 1 127 LYS 0.29 -0.07 1 128 LEU -4.72 3.10 1 129 SER -0.88 0.61 1 132 TYR 2.57 -0.09 1 133 SER -0.56 1.04 1 134 SER -0.85 0.61 1 136 GLN 5.77 -1.99 1 137 GLU 2.08 0.50 1 138 PHE 3.73 -1.33 1 139 ALA 3.54 -1.10 1 140 GLN 3.83 -1.06 1 141 ASP 4.09 -1.20 1 142 VAL 6.46 -2.17 1 144 ARG 4.53 -0.90 1 145 MET 4.69 -1.36 1 146 PHE 3.78 -2.04 1 147 LYS 4.04 -0.76 1 148 GLN 3.76 -1.02 1 149 PHE 2.93 -0.17 1 151 LYS 2.13 -0.77 1 152 LEU 0.80 0.09 1 153 THR -0.04 -0.23 1 154 GLU 1.04 0.08 1 155 ASP 1.01 -0.50 1 156 LYS 0.48 -0.29 1 157 ALA 0.00 0.09 1 158 ASP -0.18 -0.02 1 159 VAL 2.42 -0.72 1 160 GLN 2.85 -0.99 1 161 SER 2.64 -0.85 1 162 ILE 3.09 -1.23 1 163 ILE 4.21 -1.24 1 165 LEU 4.21 -1.57 1 166 GLN 5.32 -1.57 1 167 ARG 4.01 -1.07 1 168 PHE 4.99 -0.71 1 169 PHE 3.81 -0.42 1 170 GLU 3.77 -0.53 1 171 THR 6.06 -1.20 1 172 ARG 2.54 -1.01 1 173 MET 4.48 -2.43 1 174 ASN 3.44 -0.69 1 175 GLU 3.03 -0.60 1 176 ALA 1.35 0.33 1 177 PHE 1.44 0.04 1 179 ASP -0.22 -0.03 1 180 THR -0.12 0.20 1 181 LYS 1.17 -0.72 1 182 PHE 0.39 -0.83 1 183 SER -0.06 -0.04 1 184 ALA 0.22 -0.15 1 185 VAL 0.74 -0.72 1 186 LEU -0.53 -0.10 1 187 VAL 0.10 -0.30 1 188 GLU -0.61 0.57 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11036_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.96 _LACS_plot.Line_1_terminator_val_y_1 0.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 9.73 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _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 VAL 6.46 -1.38 0 24 PHE -5.88 1.29 0 10 LYS -1.07 0.44 1 13 ASP 1.72 0.02 1 14 LEU -3.51 0.21 1 15 VAL -2.73 0.26 1 16 MET -4.69 0.73 1 18 ASN 2.51 -0.16 1 19 GLN 1.20 0.16 1 21 GLU 4.45 -0.06 1 22 PHE 0.55 0.16 1 25 HIS 1.79 0.20 1 26 LEU 7.52 -0.51 1 27 ASP 0.57 0.10 1 29 HIS 5.80 -1.09 1 30 LEU -5.96 -0.17 1 32 ALA 1.19 0.03 1 33 LEU -1.89 0.11 1 34 GLN 0.50 -0.18 1 35 ASP -4.83 -0.01 1 36 VAL 1.70 -0.69 1 39 GLU 0.81 -0.07 1 40 GLU 0.90 -0.06 1 41 TRP 2.03 -0.35 1 42 SER -5.32 0.79 1 44 SER 3.16 -0.25 1 45 LEU 4.11 -0.16 1 47 HIS -0.71 -0.30 1 48 VAL 0.42 -0.20 1 49 LEU -0.08 -0.21 1 51 ASP 0.07 -0.08 1 52 LEU -0.19 0.02 1 53 LYS 0.60 0.01 1 54 GLU -0.33 -0.04 1 55 GLU 0.77 -0.03 1 56 ASP 0.00 0.04 1 58 SER -0.05 -0.47 1 59 LEU -0.01 0.09 1 60 SER -0.15 0.05 1 61 LEU 0.55 0.07 1 62 ASP 0.06 0.04 1 64 ALA 0.12 0.06 1 65 ASP -0.19 0.04 1 66 SER 0.19 -0.03 1 67 THR 0.94 0.03 1 69 VAL 0.45 0.06 1 70 VAL 0.16 0.03 1 71 ALA -0.48 0.13 1 72 LYS -3.78 0.51 1 73 LEU -0.20 -0.07 1 74 SER 0.88 -0.07 1 76 ALA 2.81 -0.19 1 77 ASN 3.00 0.02 1 78 GLN 6.22 -0.67 1 79 ARG 2.78 0.15 1 80 LYS 3.63 -0.62 1 82 GLU 4.12 -0.76 1 83 ARG 4.83 -0.59 1 84 VAL 5.97 -0.56 1 85 LEU 3.54 0.03 1 86 LEU 4.21 0.04 1 87 ALA 4.52 -0.10 1 88 LEU 4.46 0.06 1 89 PHE 4.28 -0.65 1 91 HIS -2.48 0.21 1 92 GLU 9.74 -0.58 1 95 ARG 8.90 -0.91 1 97 LEU 1.62 -0.11 1 98 HIS 3.22 -0.54 1 99 GLN -1.81 0.47 1 100 LEU -1.16 0.23 1 101 ALA -0.07 0.07 1 102 THR 0.12 0.02 1 103 ASP -0.27 0.04 1 104 SER 0.59 0.00 1 105 THR 1.25 -0.11 1 106 PHE 0.24 0.01 1 107 SER -0.24 -0.06 1 108 LEU 0.69 -0.08 1 109 ASP 0.02 -0.07 1 110 GLN -0.71 0.02 1 114 THR 0.73 -0.16 1 115 LEU -3.68 0.11 1 116 ASP -3.30 -0.17 1 117 LEU 3.04 -0.50 1 118 THR 7.68 -0.30 1 119 LEU 3.27 -0.13 1 120 ILE 4.56 -0.07 1 121 ARG 5.03 -0.44 1 122 ALA 3.80 -0.07 1 123 ARG 5.03 -0.01 1 124 LEU 2.14 0.58 1 125 GLN 0.06 0.10 1 126 GLU 5.18 -0.19 1 127 LYS 0.29 0.02 1 128 LEU -4.72 0.19 1 129 SER -0.88 -0.35 1 132 TYR 2.57 -0.12 1 133 SER -0.56 -0.04 1 134 SER -0.85 0.17 1 136 GLN 5.77 -0.38 1 137 GLU 2.08 -0.29 1 138 PHE 3.73 -1.02 1 139 ALA 3.54 -0.52 1 140 GLN 3.83 -0.28 1 141 ASP 4.09 -0.12 1 144 ARG 4.53 -0.31 1 145 MET 4.69 -0.55 1 146 PHE 3.78 -0.04 1 147 LYS 4.04 -0.17 1 148 GLN 3.76 -0.20 1 149 PHE 2.93 -0.19 1 151 LYS 2.13 -0.10 1 152 LEU 0.80 -0.07 1 153 THR -0.04 -0.02 1 154 GLU 1.04 -0.13 1 155 ASP 1.01 -0.04 1 156 LYS 0.48 0.01 1 157 ALA 0.00 0.02 1 158 ASP -0.18 0.03 1 159 VAL 2.42 -0.09 1 160 GLN 2.85 -0.12 1 161 SER 2.64 -0.11 1 162 ILE 3.09 -0.18 1 163 ILE 4.21 -0.22 1 165 LEU 4.21 -0.29 1 166 GLN 5.32 -0.50 1 167 ARG 4.01 -0.15 1 168 PHE 4.99 -0.46 1 169 PHE 3.81 -0.57 1 170 GLU 3.77 -0.87 1 171 THR 6.06 -0.41 1 172 ARG 2.54 -0.31 1 173 MET 4.48 -0.10 1 174 ASN 3.44 -0.23 1 175 GLU 3.03 -0.38 1 176 ALA 1.35 -0.24 1 177 PHE 1.44 -0.11 1 179 ASP -0.22 0.04 1 180 THR -0.12 -0.02 1 181 LYS 1.17 -0.17 1 182 PHE 0.39 0.04 1 183 SER -0.06 -0.11 1 184 ALA 0.22 0.04 1 185 VAL 0.74 0.03 1 186 LEU -0.53 0.09 1 187 VAL 0.10 0.04 1 188 GLU -0.61 -0.02 1 stop_ save_