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 bmr17815_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.29 _LACS_plot.Line_1_terminator_val_y_1 -3.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.72 _LACS_plot.Line_2_terminator_val_x_2 6.33 _LACS_plot.Line_2_terminator_val_y_2 4.41 _LACS_plot.Y_axis_chem_shift_offset 0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 170 HIS -5.06 -0.03 0 10 ILE -1.66 -1.74 1 12 ALA 4.06 2.76 1 13 GLN 3.19 1.32 1 14 ALA -0.84 -1.02 1 15 VAL 6.20 4.57 1 17 ALA 1.90 0.87 1 18 ILE 3.21 -0.17 1 26 ILE 4.62 2.95 1 27 LYS 4.12 3.08 1 28 GLN 4.20 2.66 1 29 LEU 3.52 2.49 1 30 SER 4.19 3.35 1 31 ARG 3.43 2.26 1 32 PHE 2.43 1.97 1 33 ALA -0.93 -0.31 1 34 SER 2.06 0.31 1 35 ALA -7.29 -3.34 1 36 SER -1.17 -1.21 1 37 ILE -2.06 -1.21 1 38 LYS -5.07 -2.20 1 39 ILE -0.37 -2.07 1 40 ALA -0.35 0.08 1 43 GLU 2.01 2.22 1 44 THR -1.32 -1.40 1 46 ASP -0.70 -1.37 1 47 SER 1.82 1.75 1 48 LYS 1.26 0.56 1 49 VAL -6.55 -3.33 1 50 ARG -5.33 -4.00 1 51 MET -2.96 -0.48 1 52 VAL -0.97 -1.69 1 53 ILE -0.44 -0.20 1 54 ILE -1.79 -1.20 1 55 THR -1.36 -1.34 1 59 GLU 4.30 2.83 1 60 ALA 0.81 1.54 1 61 GLN 4.75 2.32 1 62 PHE 4.16 3.63 1 63 LYS 2.46 3.30 1 64 ALA 2.48 2.34 1 65 GLN 5.40 4.30 1 67 ARG 2.04 0.59 1 68 ILE 6.34 4.39 1 69 TYR 5.75 4.77 1 71 LYS 2.93 0.77 1 72 LEU 4.04 2.46 1 73 LYS 3.48 2.25 1 74 GLU 2.32 2.03 1 75 GLU -0.55 -1.34 1 76 ASN 3.50 1.32 1 77 PHE 4.29 3.56 1 78 PHE -1.44 -0.84 1 81 LYS 1.07 -0.46 1 82 GLU -2.50 -1.26 1 83 GLU -1.89 -1.54 1 84 VAL 2.71 1.05 1 85 LYS -2.52 -1.21 1 86 LEU -4.71 -2.37 1 87 GLU -2.51 -1.37 1 88 THR -2.01 -0.46 1 89 HIS -6.77 -1.80 1 90 ILE -3.47 -1.90 1 91 ARG -2.27 -1.68 1 92 VAL -3.28 -3.16 1 94 ALA 4.40 2.91 1 95 SER 2.49 1.46 1 96 ALA -1.71 -0.78 1 97 ALA 4.69 3.30 1 99 ARG 1.94 0.60 1 100 VAL 4.01 2.39 1 116 ALA 1.83 0.67 1 117 ALA -2.03 -1.99 1 118 GLU -1.62 -1.10 1 119 VAL -1.57 -1.30 1 120 VAL -4.76 -1.97 1 121 VAL -0.08 -1.42 1 123 ARG 0.42 -0.04 1 124 ASP 1.95 -0.04 1 125 GLN -1.59 0.10 1 126 THR -0.03 -0.21 1 128 ASP -1.31 -1.68 1 129 GLU 3.58 1.80 1 130 ASN -0.67 -0.57 1 131 ASP 2.21 1.33 1 132 GLN -2.81 -1.11 1 133 VAL -3.96 -3.41 1 134 ILE -1.80 -0.43 1 135 VAL -1.79 -1.13 1 136 LYS -2.73 -1.79 1 137 ILE -3.74 -1.32 1 138 ILE -2.23 -0.96 1 140 HIS -1.74 0.36 1 141 PHE 5.51 4.00 1 142 TYR 5.32 4.14 1 143 ALA 2.80 2.10 1 144 SER 1.78 1.62 1 145 GLN 4.51 2.38 1 147 ALA 4.42 2.91 1 148 GLN 4.39 4.26 1 149 ARG 4.59 3.13 1 150 LYS 3.70 1.90 1 151 ILE 6.19 4.43 1 152 ARG 5.47 3.56 1 153 ASP 3.84 3.03 1 154 ILE 4.90 3.93 1 155 LEU 4.52 2.16 1 156 ALA 2.75 1.64 1 157 GLN 3.03 1.87 1 158 VAL 3.23 1.92 1 159 LYS 2.36 1.39 1 160 GLN 1.62 0.89 1 162 HIS 0.24 1.71 1 163 GLN 0.75 0.29 1 164 LYS 0.86 0.06 1 165 LEU 0.62 -0.16 1 166 GLU -0.28 -0.34 1 167 HIS 0.04 1.23 1 168 HIS -0.22 0.45 1 169 HIS -2.02 0.21 1 171 HIS -0.67 0.88 1 172 HIS 0.73 2.31 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17815_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.29 _LACS_plot.Line_1_terminator_val_y_1 3.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 6.33 _LACS_plot.Line_2_terminator_val_y_2 -1.92 _LACS_plot.Y_axis_chem_shift_offset 0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 170 HIS -5.06 5.03 0 10 ILE -1.66 -0.08 1 12 ALA 4.06 -1.30 1 13 GLN 3.19 -1.87 1 14 ALA -0.84 -0.18 1 15 VAL 6.20 -1.63 1 17 ALA 1.90 -1.03 1 18 ILE 3.21 -3.38 1 26 ILE 4.62 -1.67 1 27 LYS 4.12 -1.04 1 28 GLN 4.20 -1.54 1 29 LEU 3.52 -1.03 1 30 SER 4.19 -0.84 1 31 ARG 3.43 -1.17 1 32 PHE 2.43 -0.46 1 33 ALA -0.93 0.62 1 34 SER 2.06 -1.75 1 35 ALA -7.29 3.95 1 36 SER -1.17 -0.04 1 37 ILE -2.06 0.85 1 38 LYS -5.07 2.87 1 39 ILE -0.37 -1.70 1 40 ALA -0.35 0.43 1 43 GLU 2.01 0.21 1 44 THR -1.32 -0.08 1 46 ASP -0.70 -0.67 1 47 SER 1.82 -0.07 1 48 LYS 1.26 -0.70 1 49 VAL -6.55 3.22 1 50 ARG -5.33 1.33 1 51 MET -2.96 2.48 1 52 VAL -0.97 -0.72 1 53 ILE -0.44 0.24 1 54 ILE -1.79 0.59 1 55 THR -1.36 0.02 1 59 GLU 4.30 -1.47 1 60 ALA 0.81 0.73 1 61 GLN 4.75 -2.43 1 62 PHE 4.16 -0.53 1 63 LYS 2.46 0.84 1 64 ALA 2.48 -0.14 1 65 GLN 5.40 -1.10 1 67 ARG 2.04 -1.45 1 68 ILE 6.34 -1.95 1 69 TYR 5.75 -0.98 1 71 LYS 2.93 -2.16 1 72 LEU 4.04 -1.58 1 73 LYS 3.48 -1.23 1 74 GLU 2.32 -0.29 1 75 GLU -0.55 -0.79 1 76 ASN 3.50 -2.18 1 77 PHE 4.29 -0.73 1 78 PHE -1.44 0.60 1 81 LYS 1.07 -1.53 1 82 GLU -2.50 1.24 1 83 GLU -1.89 0.35 1 84 VAL 2.71 -1.66 1 85 LYS -2.52 1.31 1 86 LEU -4.71 2.34 1 87 GLU -2.51 1.14 1 88 THR -2.01 1.55 1 89 HIS -6.77 4.97 1 90 ILE -3.47 1.57 1 91 ARG -2.27 0.59 1 92 VAL -3.28 0.12 1 94 ALA 4.40 -1.49 1 95 SER 2.49 -1.03 1 96 ALA -1.71 0.93 1 97 ALA 4.69 -1.39 1 99 ARG 1.94 -1.34 1 100 VAL 4.01 -1.62 1 116 ALA 1.83 -1.16 1 117 ALA -2.03 0.04 1 118 GLU -1.62 0.52 1 119 VAL -1.57 0.27 1 120 VAL -4.76 2.79 1 121 VAL -0.08 -1.34 1 123 ARG 0.42 -0.46 1 124 ASP 1.95 -1.99 1 125 GLN -1.59 1.69 1 126 THR -0.03 -0.18 1 128 ASP -1.31 -0.37 1 129 GLU 3.58 -1.78 1 130 ASN -0.67 0.10 1 131 ASP 2.21 -0.88 1 132 GLN -2.81 1.70 1 133 VAL -3.96 0.55 1 134 ILE -1.80 1.37 1 135 VAL -1.79 0.66 1 136 LYS -2.73 0.94 1 137 ILE -3.74 2.42 1 138 ILE -2.23 1.27 1 140 HIS -1.74 2.10 1 141 PHE 5.51 -1.51 1 142 TYR 5.32 -1.18 1 143 ALA 2.80 -0.70 1 144 SER 1.78 -0.16 1 145 GLN 4.51 -2.13 1 147 ALA 4.42 -1.51 1 148 GLN 4.39 -0.13 1 149 ARG 4.59 -1.46 1 150 LYS 3.70 -1.80 1 151 ILE 6.19 -1.76 1 152 ARG 5.47 -1.91 1 153 ASP 3.84 -0.81 1 154 ILE 4.90 -0.97 1 155 LEU 4.52 -2.36 1 156 ALA 2.75 -1.11 1 157 GLN 3.03 -1.16 1 158 VAL 3.23 -1.31 1 159 LYS 2.36 -0.97 1 160 GLN 1.62 -0.73 1 162 HIS 0.24 1.47 1 163 GLN 0.75 -0.46 1 164 LYS 0.86 -0.80 1 165 LEU 0.62 -0.78 1 166 GLU -0.28 -0.06 1 167 HIS 0.04 1.19 1 168 HIS -0.22 0.67 1 169 HIS -2.02 2.23 1 171 HIS -0.67 1.55 1 172 HIS 0.73 1.58 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17815_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.29 _LACS_plot.Line_1_terminator_val_y_1 -3.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.78 _LACS_plot.Line_2_terminator_val_x_2 6.33 _LACS_plot.Line_2_terminator_val_y_2 1.66 _LACS_plot.Y_axis_chem_shift_offset 0.91 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 89 HIS -6.77 0.58 0 172 HIS 0.73 4.61 0 10 ILE -1.66 -3.33 1 12 ALA 4.06 1.26 1 13 GLN 3.19 -0.81 1 14 ALA -0.84 -1.75 1 15 VAL 6.20 -0.17 1 17 ALA 1.90 0.00 1 18 ILE 3.21 0.19 1 26 ILE 4.62 0.29 1 27 LYS 4.12 1.53 1 28 GLN 4.20 1.73 1 29 LEU 3.52 -0.22 1 30 SER 4.19 1.25 1 31 ARG 3.43 1.33 1 32 PHE 2.43 0.08 1 33 ALA -0.93 -2.26 1 34 SER 2.06 -2.42 1 35 ALA -7.29 -2.20 1 36 SER -1.17 -1.50 1 37 ILE -2.06 -3.23 1 38 LYS -5.07 -3.49 1 39 ILE -0.37 -1.36 1 40 ALA -0.35 -1.40 1 43 GLU 2.01 -0.73 1 44 THR -1.32 -0.38 1 46 ASP -0.70 -1.15 1 47 SER 1.82 0.61 1 48 LYS 1.26 -0.15 1 49 VAL -6.55 -1.77 1 50 ARG -5.33 -3.88 1 51 MET -2.96 -3.85 1 52 VAL -0.97 -2.43 1 53 ILE -0.44 -1.20 1 54 ILE -1.79 -0.87 1 55 THR -1.36 -1.32 1 59 GLU 4.30 0.88 1 60 ALA 0.81 1.49 1 61 GLN 4.75 1.78 1 62 PHE 4.16 1.92 1 63 LYS 2.46 1.60 1 64 ALA 2.48 0.80 1 65 GLN 5.40 1.78 1 67 ARG 2.04 1.43 1 68 ILE 6.34 -0.40 1 69 TYR 5.75 2.60 1 71 LYS 2.93 0.84 1 72 LEU 4.04 0.43 1 73 LYS 3.48 2.19 1 74 GLU 2.32 0.67 1 75 GLU -0.55 -2.03 1 76 ASN 3.50 -0.50 1 77 PHE 4.29 -1.20 1 78 PHE -1.44 -1.45 1 81 LYS 1.07 -1.41 1 82 GLU -2.50 -1.63 1 83 GLU -1.89 -1.41 1 84 VAL 2.71 -2.32 1 85 LYS -2.52 -3.24 1 86 LEU -4.71 -2.93 1 87 GLU -2.51 -3.79 1 88 THR -2.01 -1.50 1 90 ILE -3.47 -3.15 1 91 ARG -2.27 -0.99 1 92 VAL -3.28 -3.32 1 94 ALA 4.40 1.89 1 95 SER 2.49 -0.28 1 96 ALA -1.71 -0.73 1 97 ALA 4.69 0.08 1 99 ARG 1.94 0.22 1 100 VAL 4.01 -2.54 1 116 ALA 1.83 -2.00 1 117 ALA -2.03 -2.25 1 118 GLU -1.62 -2.09 1 119 VAL -1.57 -2.80 1 120 VAL -4.76 -2.75 1 121 VAL -0.08 -2.14 1 123 ARG 0.42 -0.92 1 124 ASP 1.95 -1.61 1 125 GLN -1.59 -0.58 1 126 THR -0.03 -1.60 1 128 ASP -1.31 0.85 1 129 GLU 3.58 -0.68 1 130 ASN -0.67 -1.56 1 131 ASP 2.21 -2.33 1 132 GLN -2.81 -0.52 1 133 VAL -3.96 -3.09 1 134 ILE -1.80 -1.27 1 135 VAL -1.79 -2.99 1 136 LYS -2.73 -2.43 1 137 ILE -3.74 -1.18 1 138 ILE -2.23 -0.88 1 140 HIS -1.74 -0.18 1 141 PHE 5.51 0.11 1 142 TYR 5.32 1.36 1 143 ALA 2.80 0.92 1 144 SER 1.78 3.05 1 145 GLN 4.51 1.67 1 147 ALA 4.42 0.49 1 148 GLN 4.39 1.56 1 149 ARG 4.59 1.22 1 150 LYS 3.70 0.22 1 151 ILE 6.19 -0.03 1 152 ARG 5.47 2.45 1 153 ASP 3.84 1.86 1 154 ILE 4.90 1.56 1 155 LEU 4.52 0.86 1 156 ALA 2.75 0.99 1 157 GLN 3.03 1.26 1 158 VAL 3.23 0.19 1 159 LYS 2.36 0.23 1 160 GLN 1.62 0.02 1 162 HIS 0.24 0.94 1 163 GLN 0.75 -0.87 1 164 LYS 0.86 -0.94 1 165 LEU 0.62 -1.15 1 166 GLU -0.28 -1.31 1 167 HIS 0.04 1.05 1 168 HIS -0.22 -0.09 1 169 HIS -2.02 -0.49 1 170 HIS -5.06 0.58 1 171 HIS -0.67 -0.79 1 stop_ save_