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 bmr10078_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.53 _LACS_plot.Line_1_terminator_val_y_1 -2.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.29 _LACS_plot.Line_2_terminator_val_x_2 5.12 _LACS_plot.Line_2_terminator_val_y_2 3.01 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 133 VAL -4.81 -4.54 0 40 ASP -6.03 -0.50 0 140 HIS 2.72 4.12 0 10 SER 4.39 3.21 1 11 ARG 4.86 3.81 1 12 LEU 2.96 1.92 1 13 ASP 1.11 1.17 1 14 LYS 2.89 1.86 1 15 VAL -1.22 -1.23 1 16 SER 1.71 1.78 1 17 SER -2.40 -1.19 1 18 PHE -1.30 -0.41 1 19 HIS -6.02 -2.24 1 20 ALA -6.01 -1.98 1 21 SER -2.97 -1.95 1 22 PHE -4.92 -0.35 1 23 THR -0.08 0.11 1 24 GLN -4.92 -1.98 1 25 LYS -2.21 -0.50 1 26 VAL -1.85 -1.38 1 27 THR -4.03 -2.30 1 28 ASP -1.75 -1.52 1 30 SER -0.06 0.35 1 32 ALA -0.37 -0.60 1 33 ALA 0.94 0.11 1 34 VAL 0.19 0.32 1 35 GLN -2.25 -0.26 1 36 GLU -3.40 -1.24 1 38 GLN -2.97 -0.31 1 41 LEU -5.03 -1.72 1 42 TRP -2.66 -0.27 1 43 VAL -4.37 -1.24 1 44 LYS -1.56 0.13 1 45 ARG 4.88 2.38 1 47 ASN 3.44 2.35 1 48 LEU 2.80 -0.41 1 49 PHE -1.82 -0.68 1 50 ASN -2.32 -0.06 1 51 TRP -4.58 -2.02 1 52 HIS -6.53 -2.75 1 53 MET -0.22 0.00 1 54 THR 0.31 0.17 1 55 GLN -2.28 -0.31 1 57 ASP -3.81 -1.67 1 58 GLU -1.02 -1.08 1 59 SER -1.48 0.07 1 60 ILE -2.97 0.06 1 61 LEU -4.42 -1.36 1 62 VAL -4.76 -2.41 1 63 SER -4.47 -3.38 1 64 ASP -1.73 -1.11 1 66 LYS 0.08 2.16 1 67 THR 1.52 1.60 1 68 LEU -3.41 -2.09 1 70 PHE -3.70 -2.21 1 71 TYR -5.51 -3.57 1 72 ASN -3.79 -2.25 1 74 PHE 3.81 2.74 1 75 VAL -0.00 -1.69 1 76 GLU 3.75 0.47 1 77 GLN -4.18 -0.97 1 78 ALA -5.75 -2.20 1 79 THR -2.74 -0.73 1 80 ALA -3.19 -2.31 1 81 THR -4.13 -2.06 1 82 TRP -0.80 -0.83 1 83 LEU 4.52 3.21 1 84 LYS 3.91 1.67 1 85 ASP -0.53 0.28 1 86 ALA 0.12 0.10 1 87 THR -0.44 -0.37 1 92 PHE 3.80 1.22 1 93 MET 3.48 1.86 1 94 LEU 5.07 2.60 1 95 ILE 4.50 3.73 1 96 ALA 3.19 2.32 1 97 ARG 2.79 2.36 1 98 ASN 1.43 0.70 1 99 GLN -2.35 -1.85 1 101 SER 4.65 2.49 1 102 ASP 4.22 2.40 1 103 TRP 1.24 1.20 1 104 GLN 2.86 1.44 1 105 GLN 1.87 0.04 1 106 TYR -2.49 -0.52 1 107 ASN -0.18 0.17 1 108 ILE -0.01 0.20 1 109 LYS -2.78 -1.83 1 110 GLN -2.97 -1.85 1 111 ASN -1.05 -0.59 1 113 ASP 0.06 -0.25 1 114 ASP -1.48 0.43 1 115 PHE -1.88 -1.07 1 116 VAL 0.03 0.06 1 117 LEU 2.13 1.43 1 118 THR -2.12 -1.63 1 120 LYS 2.95 2.41 1 121 ALA -1.94 -1.46 1 122 SER 0.22 0.15 1 123 ASN 0.72 2.15 1 125 ASN 0.97 1.47 1 126 LEU -0.40 -0.77 1 127 LYS 1.27 1.32 1 128 GLN -3.20 0.29 1 129 PHE -4.90 -2.56 1 130 THR -3.20 -2.49 1 131 ILE -2.63 -1.16 1 132 ASN -2.55 -0.83 1 135 ARG 5.12 3.27 1 136 ASP -0.21 -1.34 1 138 THR 3.81 1.81 1 139 ILE 1.38 -0.14 1 141 GLN -3.46 -0.89 1 142 PHE -0.72 -0.24 1 143 SER -4.00 -0.97 1 144 ALA -5.34 -1.20 1 145 VAL -0.64 -0.65 1 146 GLU -2.38 -0.82 1 147 GLN 4.44 2.65 1 148 ASP 1.31 -0.46 1 149 ASP 4.49 2.45 1 150 GLN 1.52 1.49 1 151 ARG -2.87 -1.49 1 152 SER -2.23 -1.21 1 153 SER -2.30 -1.31 1 154 TYR -1.65 -1.59 1 155 GLN -2.75 -1.40 1 156 LEU 2.35 1.85 1 157 LYS 2.23 1.01 1 158 SER -0.91 -0.53 1 159 GLN -0.89 0.03 1 160 GLN -1.95 -1.20 1 161 ASN 0.58 -0.02 1 163 ALA 1.03 0.38 1 164 VAL -3.06 -1.59 1 165 ASP -0.47 0.07 1 166 ALA 3.23 2.04 1 167 ALA 2.72 1.22 1 168 LYS 2.77 -0.85 1 169 PHE -1.11 -2.57 1 170 THR -0.85 0.03 1 175 GLN 3.30 1.76 1 177 VAL 0.84 -0.26 1 178 THR -0.46 -0.78 1 179 VAL -1.09 -1.01 1 180 ASP -0.60 -1.36 1 181 ASP 0.12 -1.15 1 182 GLN 2.17 -0.23 1 183 ARG 3.13 0.91 1 184 LYS 0.88 -0.28 1 185 LEU 0.84 0.14 1 186 GLU -0.11 -0.09 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10078_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.53 _LACS_plot.Line_1_terminator_val_y_1 3.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.71 _LACS_plot.Line_2_terminator_val_x_2 5.12 _LACS_plot.Line_2_terminator_val_y_2 -2.11 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 133 VAL -4.81 0.27 0 40 ASP -6.03 5.53 0 140 HIS 2.72 1.40 0 10 SER 4.39 -1.18 1 11 ARG 4.86 -1.05 1 12 LEU 2.96 -1.04 1 13 ASP 1.11 0.06 1 14 LYS 2.89 -1.03 1 15 VAL -1.22 -0.01 1 16 SER 1.71 0.07 1 17 SER -2.40 1.21 1 18 PHE -1.30 0.89 1 19 HIS -6.02 3.78 1 20 ALA -6.01 4.03 1 21 SER -2.97 1.02 1 22 PHE -4.92 4.57 1 23 THR -0.08 0.19 1 24 GLN -4.92 2.94 1 25 LYS -2.21 1.71 1 26 VAL -1.85 0.47 1 27 THR -4.03 1.73 1 28 ASP -1.75 0.23 1 30 SER -0.06 0.41 1 32 ALA -0.37 -0.23 1 33 ALA 0.94 -0.83 1 34 VAL 0.19 0.13 1 35 GLN -2.25 1.99 1 36 GLU -3.40 2.16 1 38 GLN -2.97 2.66 1 41 LEU -5.03 3.31 1 42 TRP -2.66 2.39 1 43 VAL -4.37 3.13 1 44 LYS -1.56 1.69 1 45 ARG 4.88 -2.50 1 47 ASN 3.44 -1.09 1 48 LEU 2.80 -3.21 1 49 PHE -1.82 1.14 1 50 ASN -2.32 2.26 1 51 TRP -4.58 2.56 1 52 HIS -6.53 3.78 1 53 MET -0.22 0.22 1 54 THR 0.31 -0.14 1 55 GLN -2.28 1.97 1 57 ASP -3.81 2.14 1 58 GLU -1.02 -0.06 1 59 SER -1.48 1.55 1 60 ILE -2.97 3.03 1 61 LEU -4.42 3.06 1 62 VAL -4.76 2.35 1 63 SER -4.47 1.09 1 64 ASP -1.73 0.62 1 66 LYS 0.08 2.08 1 67 THR 1.52 0.08 1 68 LEU -3.41 1.32 1 70 PHE -3.70 1.49 1 71 TYR -5.51 1.94 1 72 ASN -3.79 1.54 1 74 PHE 3.81 -1.07 1 75 VAL -0.00 -1.69 1 76 GLU 3.75 -3.28 1 77 GLN -4.18 3.21 1 78 ALA -5.75 3.55 1 79 THR -2.74 2.01 1 80 ALA -3.19 0.88 1 81 THR -4.13 2.07 1 82 TRP -0.80 -0.03 1 83 LEU 4.52 -1.31 1 84 LYS 3.91 -2.24 1 85 ASP -0.53 0.81 1 86 ALA 0.12 -0.02 1 87 THR -0.44 0.07 1 92 PHE 3.80 -2.58 1 93 MET 3.48 -1.62 1 94 LEU 5.07 -2.47 1 95 ILE 4.50 -0.77 1 96 ALA 3.19 -0.87 1 97 ARG 2.79 -0.43 1 98 ASN 1.43 -0.73 1 99 GLN -2.35 0.50 1 101 SER 4.65 -2.16 1 102 ASP 4.22 -1.82 1 103 TRP 1.24 -0.04 1 104 GLN 2.86 -1.42 1 105 GLN 1.87 -1.83 1 106 TYR -2.49 1.97 1 107 ASN -0.18 0.35 1 108 ILE -0.01 0.21 1 109 LYS -2.78 0.95 1 110 GLN -2.97 1.12 1 111 ASN -1.05 0.46 1 113 ASP 0.06 -0.31 1 114 ASP -1.48 1.91 1 115 PHE -1.88 0.81 1 116 VAL 0.03 0.03 1 117 LEU 2.13 -0.70 1 118 THR -2.12 0.49 1 120 LYS 2.95 -0.54 1 121 ALA -1.94 0.48 1 122 SER 0.22 -0.07 1 123 ASN 0.72 1.43 1 125 ASN 0.97 0.50 1 126 LEU -0.40 -0.37 1 127 LYS 1.27 0.05 1 128 GLN -3.20 3.49 1 129 PHE -4.90 2.34 1 130 THR -3.20 0.71 1 131 ILE -2.63 1.47 1 132 ASN -2.55 1.72 1 135 ARG 5.12 -1.85 1 136 ASP -0.21 -1.13 1 138 THR 3.81 -2.00 1 139 ILE 1.38 -1.52 1 141 GLN -3.46 2.57 1 142 PHE -0.72 0.48 1 143 SER -4.00 3.03 1 144 ALA -5.34 4.14 1 145 VAL -0.64 -0.01 1 146 GLU -2.38 1.56 1 147 GLN 4.44 -1.79 1 148 ASP 1.31 -1.77 1 149 ASP 4.49 -2.04 1 150 GLN 1.52 -0.03 1 151 ARG -2.87 1.38 1 152 SER -2.23 1.02 1 153 SER -2.30 0.99 1 154 TYR -1.65 0.06 1 155 GLN -2.75 1.35 1 156 LEU 2.35 -0.50 1 157 LYS 2.23 -1.22 1 158 SER -0.91 0.38 1 159 GLN -0.89 0.92 1 160 GLN -1.95 0.75 1 161 ASN 0.58 -0.60 1 163 ALA 1.03 -0.65 1 164 VAL -3.06 1.47 1 165 ASP -0.47 0.54 1 166 ALA 3.23 -1.19 1 167 ALA 2.72 -1.50 1 168 LYS 2.77 -3.62 1 169 PHE -1.11 -1.46 1 170 THR -0.85 0.88 1 175 GLN 3.30 -1.54 1 177 VAL 0.84 -1.10 1 178 THR -0.46 -0.32 1 179 VAL -1.09 0.08 1 180 ASP -0.60 -0.76 1 181 ASP 0.12 -1.27 1 182 GLN 2.17 -2.40 1 183 ARG 3.13 -2.22 1 184 LYS 0.88 -1.16 1 185 LEU 0.84 -0.70 1 186 GLU -0.11 0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10078_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.53 _LACS_plot.Line_1_terminator_val_y_1 -2.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.14 _LACS_plot.Line_2_terminator_val_x_2 5.12 _LACS_plot.Line_2_terminator_val_y_2 0.99 _LACS_plot.Y_axis_chem_shift_offset 0.54 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 HIS -6.53 1.09 0 10 SER 4.39 -0.41 1 11 ARG 4.86 2.69 1 12 LEU 2.96 1.06 1 13 ASP 1.11 1.18 1 14 LYS 2.89 0.23 1 15 VAL -1.22 -1.38 1 16 SER 1.71 -0.33 1 17 SER -2.40 -1.08 1 18 PHE -1.30 -3.77 1 19 HIS -6.02 -0.48 1 20 ALA -6.01 -3.52 1 21 SER -2.97 1.31 1 22 PHE -4.92 0.88 1 23 THR -0.08 -1.31 1 24 GLN -4.92 -1.50 1 25 LYS -2.21 -1.26 1 26 VAL -1.85 -2.49 1 27 THR -4.03 -1.04 1 28 ASP -1.75 2.33 1 30 SER -0.06 0.65 1 32 ALA -0.37 -0.73 1 33 ALA 0.94 -0.24 1 34 VAL 0.19 -0.23 1 35 GLN -2.25 -2.08 1 36 GLU -3.40 -0.94 1 38 GLN -2.97 -2.10 1 40 ASP -6.03 -4.04 1 41 LEU -5.03 -2.90 1 42 TRP -2.66 -0.18 1 43 VAL -4.37 -2.07 1 44 LYS -1.56 -2.66 1 45 ARG 4.88 1.41 1 47 ASN 3.44 -2.26 1 48 LEU 2.80 -0.80 1 49 PHE -1.82 -2.90 1 50 ASN -2.32 -1.03 1 51 TRP -4.58 -2.74 1 53 MET -0.22 -0.63 1 54 THR 0.31 -0.04 1 55 GLN -2.28 -0.13 1 57 ASP -3.81 1.20 1 58 GLU -1.02 -0.20 1 59 SER -1.48 -2.21 1 60 ILE -2.97 -3.13 1 61 LEU -4.42 -2.46 1 62 VAL -4.76 -2.06 1 63 SER -4.47 0.19 1 64 ASP -1.73 1.66 1 66 LYS 0.08 -0.07 1 67 THR 1.52 -3.33 1 68 LEU -3.41 -2.71 1 70 PHE -3.70 -1.04 1 71 TYR -5.51 -3.86 1 74 PHE 3.81 1.38 1 75 VAL -0.00 -1.04 1 76 GLU 3.75 -1.48 1 77 GLN -4.18 -1.57 1 78 ALA -5.75 -1.78 1 79 THR -2.74 -1.95 1 80 ALA -3.19 -2.37 1 81 THR -4.13 -0.99 1 82 TRP -0.80 2.69 1 83 LEU 4.52 1.43 1 84 LYS 3.91 -0.30 1 85 ASP -0.53 -0.33 1 86 ALA 0.12 -0.20 1 87 THR -0.44 0.36 1 92 PHE 3.80 0.74 1 93 MET 3.48 1.89 1 94 LEU 5.07 1.83 1 95 ILE 4.50 0.91 1 96 ALA 3.19 0.62 1 97 ARG 2.79 0.45 1 98 ASN 1.43 -1.54 1 99 GLN -2.35 1.16 1 101 SER 4.65 2.01 1 102 ASP 4.22 2.63 1 103 TRP 1.24 2.42 1 104 GLN 2.86 0.45 1 105 GLN 1.87 -1.31 1 106 TYR -2.49 -0.85 1 107 ASN -0.18 0.13 1 108 ILE -0.01 -1.61 1 109 LYS -2.78 -2.03 1 110 GLN -2.97 -1.19 1 113 ASP 0.06 -2.76 1 114 ASP -1.48 -1.27 1 115 PHE -1.88 -0.53 1 116 VAL 0.03 -1.43 1 117 LEU 2.13 -1.85 1 118 THR -2.12 -0.66 1 120 LYS 2.95 0.31 1 121 ALA -1.94 -0.49 1 122 SER 0.22 -0.52 1 123 ASN 0.72 1.03 1 125 ASN 0.97 -0.19 1 126 LEU -0.40 -1.33 1 127 LYS 1.27 0.24 1 128 GLN -3.20 -2.68 1 129 PHE -4.90 -2.77 1 130 THR -3.20 -2.81 1 131 ILE -2.63 -3.09 1 132 ASN -2.55 -0.78 1 133 VAL -4.81 -1.03 1 135 ARG 5.12 -0.28 1 136 ASP -0.21 1.01 1 138 THR 3.81 -1.41 1 139 ILE 1.38 -3.13 1 140 HIS 2.72 3.06 1 141 GLN -3.46 -1.69 1 142 PHE -0.72 -2.37 1 143 SER -4.00 -2.60 1 144 ALA -5.34 -2.04 1 145 VAL -0.64 0.11 1 146 GLU -2.38 0.74 1 147 GLN 4.44 -0.12 1 148 ASP 1.31 -0.02 1 149 ASP 4.49 -1.50 1 150 GLN 1.52 -0.46 1 151 ARG -2.87 -1.02 1 152 SER -2.23 -2.58 1 153 SER -2.30 -2.29 1 154 TYR -1.65 -0.96 1 155 GLN -2.75 -0.44 1 156 LEU 2.35 0.05 1 157 LYS 2.23 -0.18 1 158 SER -0.91 -2.47 1 159 GLN -0.89 -1.52 1 160 GLN -1.95 -0.77 1 161 ASN 0.58 0.74 1 163 ALA 1.03 -0.54 1 164 VAL -3.06 -1.24 1 165 ASP -0.47 -0.03 1 166 ALA 3.23 1.96 1 167 ALA 2.72 1.66 1 168 LYS 2.77 -0.07 1 169 PHE -1.11 -1.82 1 170 THR -0.85 -0.69 1 175 GLN 3.30 1.27 1 177 VAL 0.84 -0.13 1 178 THR -0.46 -1.17 1 179 VAL -1.09 -0.54 1 180 ASP -0.60 -1.82 1 181 ASP 0.12 0.35 1 182 GLN 2.17 1.04 1 183 ARG 3.13 0.34 1 184 LYS 0.88 0.04 1 185 LEU 0.84 -0.23 1 186 GLU -0.11 -0.39 1 stop_ save_