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 bmr18204_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.30 _LACS_plot.Line_1_terminator_val_y_1 -3.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.35 _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 6.96 _LACS_plot.Line_2_terminator_val_y_2 4.64 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 170 GLN -9.30 -2.09 0 23 HIS 4.71 5.84 0 12 LEU 2.06 2.04 1 13 SER 0.44 -0.71 1 14 LEU 6.97 1.88 1 15 GLN 5.67 1.56 1 16 GLU 1.04 1.73 1 17 VAL 3.70 2.87 1 18 ASP -2.74 -0.89 1 19 GLU -2.78 -0.77 1 20 GLN -1.97 -0.48 1 22 GLN 2.97 2.96 1 25 LEU -3.33 -1.99 1 26 HIS 0.70 1.38 1 27 VAL -2.34 -0.52 1 28 THR -1.71 -0.52 1 29 TYR -2.66 -1.08 1 30 ALA 3.57 2.23 1 32 ALA -3.90 -0.71 1 33 ALA -4.23 -1.20 1 34 VAL 3.65 0.37 1 35 ASP 0.27 -0.98 1 36 GLU -5.46 -1.35 1 37 LEU 2.83 1.81 1 39 LYS -1.59 0.96 1 40 VAL 2.39 1.11 1 41 LEU -5.59 -2.17 1 42 THR -0.24 -1.31 1 45 GLN 2.46 2.75 1 46 VAL -0.92 -1.53 1 47 LYS 3.83 2.11 1 48 ASN -4.84 -2.12 1 49 ARG 1.00 0.33 1 51 THR 1.62 0.48 1 52 SER -1.17 0.03 1 53 ILE -4.95 -1.87 1 54 SER 0.60 0.77 1 55 TRP -4.12 -0.63 1 56 ASP 1.85 1.05 1 58 LEU 2.60 1.62 1 59 ASP -4.19 -2.07 1 60 SER 3.53 2.64 1 62 LYS -3.16 -0.78 1 63 LEU -6.31 -2.86 1 64 TYR -5.14 -0.61 1 65 THR -2.45 0.59 1 66 LEU -6.86 -1.67 1 67 VAL -5.94 -2.01 1 68 LEU -3.51 -1.35 1 69 THR -4.06 -1.47 1 70 ASP -4.62 -2.48 1 72 ASP 0.57 0.26 1 73 ALA -7.39 -3.14 1 75 SER -4.74 -1.56 1 76 ARG 2.98 2.66 1 77 LYS 1.59 1.28 1 78 ASP -0.58 -0.76 1 80 LYS 2.86 2.78 1 81 TYR -2.37 -3.63 1 82 ARG -5.04 -4.02 1 83 GLU 1.20 1.60 1 84 TRP -1.92 0.61 1 85 HIS -1.28 0.47 1 86 HIS 2.16 4.41 1 87 PHE -7.04 -3.55 1 88 LEU -2.80 0.47 1 89 VAL -4.50 -1.59 1 90 VAL -6.52 -3.60 1 91 ASN 3.95 1.26 1 92 MET -0.26 1.02 1 93 LYS 1.00 -0.50 1 95 ASN -1.22 -2.49 1 96 ASP -0.23 -1.98 1 97 ILE 5.32 4.79 1 98 SER 2.80 2.40 1 99 SER -0.36 1.18 1 101 THR 0.54 0.57 1 102 VAL 2.83 0.82 1 103 LEU 2.54 1.53 1 104 SER -1.50 -2.56 1 105 ASP 0.56 -0.12 1 106 TYR 3.36 3.35 1 107 VAL -3.73 -0.79 1 109 SER 1.86 2.95 1 113 LYS 3.89 2.58 1 115 THR -1.11 0.20 1 117 LEU -0.51 0.20 1 118 HIS -2.38 -1.45 1 119 ARG 0.04 -0.08 1 120 TYR 0.33 -0.42 1 121 VAL -0.49 0.04 1 122 TRP -7.05 -2.18 1 123 LEU -7.21 -0.83 1 124 VAL -3.85 -2.49 1 125 TYR -4.99 -0.98 1 126 GLU -2.54 -0.21 1 127 GLN -2.39 -1.37 1 128 ASP -0.23 0.59 1 129 ARG 0.55 -0.33 1 131 LEU -3.06 -1.14 1 132 LYS -0.27 -0.85 1 134 ASP -0.15 -1.13 1 135 GLU 4.06 3.31 1 137 ILE 0.87 -2.16 1 138 LEU -0.89 -1.52 1 139 SER -2.62 -1.29 1 140 ASN -0.88 -2.16 1 141 ARG -0.82 -1.38 1 142 SER -2.97 -1.66 1 144 ASP 2.11 1.43 1 145 HIS 3.99 2.00 1 146 ARG 0.83 0.45 1 148 LYS 5.56 1.25 1 149 PHE -1.97 -0.44 1 150 LYS -3.80 -2.62 1 151 VAL 5.48 3.69 1 152 ALA 3.16 2.45 1 153 SER 4.11 2.74 1 154 PHE 4.32 4.17 1 155 ARG 6.58 2.52 1 156 LYS 4.76 4.09 1 157 LYS 4.55 3.00 1 158 TYR 2.47 1.30 1 159 GLU 3.97 0.59 1 160 LEU 0.06 -1.34 1 161 ARG -0.64 -0.39 1 162 ALA 2.26 1.02 1 164 VAL 1.07 0.45 1 165 ALA -5.18 -2.48 1 167 THR 0.53 -1.25 1 169 TYR -4.96 -1.99 1 171 ALA -3.21 0.12 1 172 GLU -7.19 -3.21 1 173 TRP 3.62 4.30 1 174 ASP -2.28 -1.29 1 175 ASP 2.59 1.54 1 176 TYR 1.25 1.61 1 177 VAL 4.20 1.69 1 179 LYS 3.57 2.28 1 180 LEU 5.28 2.95 1 181 TYR 3.69 3.09 1 182 GLU 3.54 3.31 1 183 GLN 1.14 0.50 1 184 LEU 0.23 0.51 1 185 SER 0.59 1.18 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18204_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.30 _LACS_plot.Line_1_terminator_val_y_1 6.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.65 _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 6.96 _LACS_plot.Line_2_terminator_val_y_2 -2.32 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 170 GLN -9.30 7.21 0 23 HIS 4.71 1.13 0 12 LEU 2.06 -0.02 1 13 SER 0.44 -1.15 1 14 LEU 6.97 -5.09 1 15 GLN 5.67 -4.11 1 16 GLU 1.04 0.69 1 17 VAL 3.70 -0.83 1 18 ASP -2.74 1.85 1 19 GLU -2.78 2.01 1 20 GLN -1.97 1.49 1 22 GLN 2.97 -0.01 1 25 LEU -3.33 1.34 1 26 HIS 0.70 0.68 1 27 VAL -2.34 1.82 1 28 THR -1.71 1.19 1 29 TYR -2.66 1.58 1 30 ALA 3.57 -1.34 1 32 ALA -3.90 3.19 1 33 ALA -4.23 3.03 1 34 VAL 3.65 -3.28 1 35 ASP 0.27 -1.25 1 36 GLU -5.46 4.11 1 37 LEU 2.83 -1.02 1 39 LYS -1.59 2.55 1 40 VAL 2.39 -1.28 1 41 LEU -5.59 3.42 1 42 THR -0.24 -1.07 1 45 GLN 2.46 0.29 1 46 VAL -0.92 -0.61 1 47 LYS 3.83 -1.72 1 48 ASN -4.84 2.72 1 49 ARG 1.00 -0.67 1 51 THR 1.62 -1.14 1 52 SER -1.17 1.20 1 53 ILE -4.95 3.08 1 54 SER 0.60 0.17 1 55 TRP -4.12 3.49 1 56 ASP 1.85 -0.80 1 58 LEU 2.60 -0.98 1 59 ASP -4.19 2.12 1 60 SER 3.53 -0.89 1 62 LYS -3.16 2.38 1 63 LEU -6.31 3.45 1 64 TYR -5.14 4.53 1 65 THR -2.45 3.04 1 66 LEU -6.86 5.19 1 67 VAL -5.94 3.93 1 68 LEU -3.51 2.16 1 69 THR -4.06 2.59 1 70 ASP -4.62 2.14 1 72 ASP 0.57 -0.31 1 73 ALA -7.39 4.25 1 75 SER -4.74 3.18 1 76 ARG 2.98 -0.32 1 77 LYS 1.59 -0.31 1 78 ASP -0.58 -0.18 1 80 LYS 2.86 -0.08 1 81 TYR -2.37 -1.26 1 82 ARG -5.04 1.02 1 83 GLU 1.20 0.40 1 84 TRP -1.92 2.53 1 85 HIS -1.28 1.75 1 86 HIS 2.16 2.25 1 87 PHE -7.04 3.49 1 88 LEU -2.80 3.27 1 89 VAL -4.50 2.91 1 90 VAL -6.52 2.92 1 91 ASN 3.95 -2.69 1 92 MET -0.26 1.28 1 93 LYS 1.00 -1.50 1 95 ASN -1.22 -1.27 1 96 ASP -0.23 -1.75 1 97 ILE 5.32 -0.53 1 98 SER 2.80 -0.40 1 99 SER -0.36 1.54 1 101 THR 0.54 0.03 1 102 VAL 2.83 -2.01 1 103 LEU 2.54 -1.01 1 104 SER -1.50 -1.06 1 105 ASP 0.56 -0.68 1 106 TYR 3.36 -0.01 1 107 VAL -3.73 2.94 1 109 SER 1.86 1.09 1 113 LYS 3.89 -1.31 1 115 THR -1.11 1.31 1 117 LEU -0.51 0.71 1 118 HIS -2.38 0.93 1 119 ARG 0.04 -0.12 1 120 TYR 0.33 -0.75 1 121 VAL -0.49 0.53 1 122 TRP -7.05 4.87 1 123 LEU -7.21 6.38 1 124 VAL -3.85 1.36 1 125 TYR -4.99 4.01 1 126 GLU -2.54 2.33 1 127 GLN -2.39 1.02 1 128 ASP -0.23 0.82 1 129 ARG 0.55 -0.88 1 131 LEU -3.06 1.92 1 132 LYS -0.27 -0.58 1 134 ASP -0.15 -0.98 1 135 GLU 4.06 -0.75 1 137 ILE 0.87 -3.03 1 138 LEU -0.89 -0.63 1 139 SER -2.62 1.33 1 140 ASN -0.88 -1.28 1 141 ARG -0.82 -0.56 1 142 SER -2.97 1.31 1 144 ASP 2.11 -0.68 1 145 HIS 3.99 -1.99 1 146 ARG 0.83 -0.38 1 148 LYS 5.56 -4.31 1 149 PHE -1.97 1.53 1 150 LYS -3.80 1.18 1 151 VAL 5.48 -1.79 1 152 ALA 3.16 -0.71 1 153 SER 4.11 -1.37 1 154 PHE 4.32 -0.15 1 155 ARG 6.58 -4.06 1 156 LYS 4.76 -0.67 1 157 LYS 4.55 -1.55 1 158 TYR 2.47 -1.17 1 159 GLU 3.97 -3.38 1 160 LEU 0.06 -1.40 1 161 ARG -0.64 0.25 1 162 ALA 2.26 -1.24 1 164 VAL 1.07 -0.62 1 165 ALA -5.18 2.70 1 167 THR 0.53 -1.78 1 169 TYR -4.96 2.97 1 171 ALA -3.21 3.33 1 172 GLU -7.19 3.98 1 173 TRP 3.62 0.68 1 174 ASP -2.28 0.99 1 175 ASP 2.59 -1.05 1 176 TYR 1.25 0.36 1 177 VAL 4.20 -2.51 1 179 LYS 3.57 -1.29 1 180 LEU 5.28 -2.33 1 181 TYR 3.69 -0.60 1 182 GLU 3.54 -0.23 1 183 GLN 1.14 -0.64 1 184 LEU 0.23 0.28 1 185 SER 0.59 0.59 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18204_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.30 _LACS_plot.Line_1_terminator_val_y_1 -2.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.13 _LACS_plot.Line_2_terminator_val_x_2 6.96 _LACS_plot.Line_2_terminator_val_y_2 1.07 _LACS_plot.Y_axis_chem_shift_offset 0.63 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 ASP 0.57 -5.87 0 12 LEU 2.06 -1.65 1 13 SER 0.44 1.09 1 14 LEU 6.97 1.08 1 15 GLN 5.67 1.58 1 16 GLU 1.04 -0.03 1 17 VAL 3.70 -1.21 1 18 ASP -2.74 -2.51 1 19 GLU -2.78 -4.13 1 20 GLN -1.97 -0.21 1 22 GLN 2.97 2.47 1 23 HIS 4.71 2.33 1 25 LEU -3.33 -2.97 1 26 HIS 0.70 0.86 1 27 VAL -2.34 -2.37 1 28 THR -1.71 -2.58 1 29 TYR -2.66 -0.80 1 30 ALA 3.57 0.23 1 32 ALA -3.90 -3.21 1 33 ALA -4.23 -1.12 1 34 VAL 3.65 -0.61 1 35 ASP 0.27 -2.91 1 36 GLU -5.46 -0.91 1 37 LEU 2.83 -0.01 1 39 LYS -1.59 -1.57 1 40 VAL 2.39 -0.20 1 41 LEU -5.59 -1.17 1 42 THR -0.24 1.40 1 45 GLN 2.46 -1.33 1 46 VAL -0.92 -0.25 1 47 LYS 3.83 -0.63 1 48 ASN -4.84 -2.92 1 49 ARG 1.00 -0.46 1 51 THR 1.62 1.68 1 52 SER -1.17 -2.32 1 53 ILE -4.95 -1.86 1 54 SER 0.60 -3.27 1 55 TRP -4.12 -1.75 1 56 ASP 1.85 -0.97 1 58 LEU 2.60 -3.05 1 59 ASP -4.19 0.41 1 60 SER 3.53 -0.22 1 62 LYS -3.16 -2.57 1 63 LEU -6.31 -1.79 1 64 TYR -5.14 -1.06 1 65 THR -2.45 -2.23 1 66 LEU -6.86 -3.28 1 67 VAL -5.94 -2.53 1 68 LEU -3.51 -1.16 1 69 THR -4.06 -5.38 1 70 ASP -4.62 0.98 1 73 ALA -7.39 0.17 1 75 SER -4.74 -1.34 1 76 ARG 2.98 1.39 1 77 LYS 1.59 0.00 1 78 ASP -0.58 -1.85 1 80 LYS 2.86 1.00 1 81 TYR -2.37 -1.31 1 82 ARG -5.04 1.37 1 83 GLU 1.20 -1.70 1 84 TRP -1.92 0.31 1 85 HIS -1.28 -2.23 1 86 HIS 2.16 1.23 1 87 PHE -7.04 -2.75 1 88 LEU -2.80 -4.06 1 89 VAL -4.50 -2.10 1 90 VAL -6.52 -0.84 1 91 ASN 3.95 -1.78 1 92 MET -0.26 -1.28 1 93 LYS 1.00 1.23 1 95 ASN -1.22 0.31 1 96 ASP -0.23 0.88 1 97 ILE 5.32 1.09 1 98 SER 2.80 0.09 1 99 SER -0.36 0.95 1 101 THR 0.54 -1.51 1 102 VAL 2.83 -0.60 1 103 LEU 2.54 -1.23 1 104 SER -1.50 -0.91 1 105 ASP 0.56 0.03 1 106 TYR 3.36 -1.57 1 107 VAL -3.73 -0.97 1 109 SER 1.86 -2.42 1 113 LYS 3.89 0.97 1 115 THR -1.11 -0.11 1 117 LEU -0.51 2.24 1 118 HIS -2.38 -0.03 1 119 ARG 0.04 -4.87 1 120 TYR 0.33 -1.31 1 121 VAL -0.49 -0.97 1 122 TRP -7.05 0.50 1 123 LEU -7.21 -3.35 1 124 VAL -3.85 -1.27 1 125 TYR -4.99 -0.35 1 126 GLU -2.54 -1.56 1 127 GLN -2.39 0.48 1 128 ASP -0.23 -1.11 1 129 ARG 0.55 -1.74 1 131 LEU -3.06 -0.18 1 132 LYS -0.27 -1.29 1 134 ASP -0.15 -0.64 1 135 GLU 4.06 -2.13 1 137 ILE 0.87 1.21 1 138 LEU -0.89 0.23 1 139 SER -2.62 -0.36 1 140 ASN -0.88 -0.89 1 141 ARG -0.82 -1.99 1 142 SER -2.97 0.52 1 144 ASP 2.11 0.03 1 145 HIS 3.99 0.84 1 146 ARG 0.83 2.57 1 148 LYS 5.56 -0.78 1 149 PHE -1.97 -1.48 1 150 LYS -3.80 -0.16 1 151 VAL 5.48 -0.80 1 152 ALA 3.16 2.48 1 153 SER 4.11 1.76 1 154 PHE 4.32 0.32 1 155 ARG 6.58 2.04 1 156 LYS 4.76 3.77 1 157 LYS 4.55 0.97 1 158 TYR 2.47 -3.22 1 159 GLU 3.97 -1.36 1 160 LEU 0.06 0.76 1 161 ARG -0.64 -3.21 1 162 ALA 2.26 -0.85 1 164 VAL 1.07 -1.44 1 165 ALA -5.18 -2.21 1 167 THR 0.53 -3.22 1 169 TYR -4.96 -3.72 1 170 GLN -9.30 -1.45 1 171 ALA -3.21 -2.41 1 172 GLU -7.19 -2.36 1 173 TRP 3.62 0.56 1 174 ASP -2.28 -2.17 1 175 ASP 2.59 0.95 1 176 TYR 1.25 0.88 1 177 VAL 4.20 3.06 1 179 LYS 3.57 1.43 1 180 LEU 3.69 2.81 1 182 GLU 3.54 2.57 1 183 GLN 1.14 -1.10 1 184 LEU 0.23 0.56 1 stop_ save_