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 bmr26933_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.89 _LACS_plot.Line_1_terminator_val_y_1 -3.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.17 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 3.91 _LACS_plot.Y_axis_chem_shift_offset 0.76 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 PHE -3.99 -5.90 0 10 ALA -0.54 -2.59 1 13 GLU -0.36 -0.84 1 14 VAL 0.23 -0.36 1 15 LYS 0.11 -0.90 1 16 LYS 1.00 -0.10 1 18 GLU 0.21 -0.38 1 19 THR -0.75 -1.74 1 20 THR 1.10 0.39 1 21 ASP 1.96 0.90 1 23 VAL -3.96 -3.19 1 27 MET -3.37 -3.92 1 28 THR -3.14 -2.27 1 29 ARG 0.69 0.00 1 30 LYS 0.49 -1.86 1 31 LEU 4.74 2.50 1 32 LEU 1.07 -0.69 1 34 SER -2.37 -0.88 1 35 THR -2.78 -1.25 1 36 GLN 0.72 0.16 1 37 VAL -0.56 -1.46 1 39 VAL -6.03 -2.28 1 42 MET -4.21 -2.42 1 43 GLN -1.97 0.59 1 44 GLU 2.97 0.42 1 46 VAL -3.15 -1.89 1 47 PHE -1.59 -0.90 1 50 MET -0.94 -1.62 1 51 TRP 5.81 3.17 1 52 HIS 7.01 4.12 1 53 VAL 4.94 2.69 1 54 THR -2.10 -1.88 1 55 LYS 3.96 -0.64 1 57 ALA -0.62 -0.94 1 58 ALA 1.15 0.19 1 59 LEU -6.11 -3.36 1 60 ARG 0.18 -0.84 1 61 SER -1.71 -3.00 1 63 GLU 0.02 -0.71 1 65 ARG -3.03 -1.41 1 66 LEU -0.59 -1.93 1 67 ASP -0.54 -0.47 1 69 TYR -2.29 0.72 1 70 TRP -2.06 -1.10 1 72 ASP -4.19 -1.31 1 73 VAL 4.57 2.74 1 74 LYS 4.52 2.55 1 75 GLN 1.16 0.71 1 76 ASP 2.05 0.14 1 77 LEU -7.89 -1.76 1 78 VAL -4.65 -2.38 1 80 TYR -2.67 -0.68 1 84 TRP 2.61 1.64 1 85 LYS -2.38 -1.99 1 86 LEU 3.53 -0.42 1 87 ASP -2.18 -1.40 1 88 ALA 0.17 0.01 1 89 ALA -6.17 -3.33 1 90 TRP 1.18 -0.89 1 91 ASP 1.59 -0.27 1 93 LEU -3.40 0.35 1 94 SER 0.42 0.78 1 95 GLU 0.47 0.77 1 96 VAL -5.03 -4.02 1 97 GLN -3.03 -2.61 1 98 LEU -3.19 -2.04 1 99 LEU 0.40 -2.17 1 100 ALA 0.18 -1.47 1 101 VAL 1.35 -1.41 1 105 GLU -6.36 -3.13 1 106 ARG 0.49 -0.67 1 107 ALA -0.16 -0.92 1 108 LYS -3.43 -1.47 1 109 ASN -0.25 -0.55 1 110 ILE -2.77 -1.81 1 111 GLN -2.21 -1.59 1 112 THR -1.00 -1.31 1 113 LEU -2.15 -2.25 1 116 ILE -6.34 -2.23 1 118 LYS 1.35 -1.14 1 119 THR -5.67 -2.69 1 120 LYS 4.02 1.62 1 121 ASP -1.12 -0.35 1 123 ASP -0.45 -0.56 1 124 ILE -3.80 -1.23 1 126 ALA -4.15 -2.52 1 127 VAL -4.98 -4.65 1 128 ALA -0.41 -2.82 1 129 LEU -5.40 -2.38 1 130 ASP -1.36 -0.25 1 131 TYR -0.70 0.43 1 133 ALA 4.08 2.26 1 135 THR 1.90 0.78 1 136 SER 4.25 3.42 1 138 SER 2.45 2.09 1 140 ILE -1.16 -2.05 1 141 LEU -4.77 -1.73 1 142 ASP -3.91 -3.04 1 143 LYS 3.57 0.93 1 146 ARG 0.08 -1.32 1 147 VAL 2.95 0.45 1 148 ILE 0.95 -0.68 1 150 LEU -3.84 -2.18 1 151 TYR -3.23 -0.32 1 153 ASN -0.97 -1.03 1 155 VAL -6.18 -3.38 1 156 VAL 0.14 -1.16 1 157 ILE 1.59 -0.28 1 158 LYS 5.59 3.30 1 159 ASN 1.64 -0.80 1 161 SER 0.41 0.11 1 162 TYR -3.65 -0.93 1 163 VAL -3.07 -2.29 1 164 SER -5.91 -2.96 1 165 ALA 1.62 0.48 1 166 ILE 3.94 0.51 1 167 THR 3.97 2.37 1 168 GLN -6.26 -3.75 1 170 LYS -1.52 -1.62 1 171 ARG 0.10 -0.89 1 172 GLU -1.00 -1.05 1 173 GLU -0.55 -0.86 1 174 GLU -0.40 -0.75 1 175 THR 0.32 -0.25 1 177 VAL 0.60 -0.21 1 178 GLU 0.38 0.86 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26933_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.89 _LACS_plot.Line_1_terminator_val_y_1 4.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.17 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -3.10 _LACS_plot.Y_axis_chem_shift_offset 0.76 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 PHE -3.99 -1.91 0 10 ALA -0.54 -2.05 1 13 GLU -0.36 -0.48 1 14 VAL 0.23 -0.59 1 15 LYS 0.11 -1.01 1 16 LYS 1.00 -1.10 1 18 GLU 0.21 -0.59 1 19 THR -0.75 -0.99 1 20 THR 1.10 -0.71 1 21 ASP 1.96 -1.06 1 23 VAL -3.96 0.77 1 27 MET -3.37 -0.55 1 28 THR -3.14 0.87 1 29 ARG 0.69 -0.69 1 30 LYS 0.49 -2.35 1 31 LEU 4.74 -2.24 1 32 LEU 1.07 -1.76 1 34 SER -2.37 1.49 1 35 THR -2.78 1.53 1 36 GLN 0.72 -0.56 1 37 VAL -0.56 -0.90 1 39 VAL -6.03 3.75 1 42 MET -4.21 1.79 1 43 GLN -1.97 2.56 1 44 GLU 2.97 -2.55 1 46 VAL -3.15 1.26 1 47 PHE -1.59 0.69 1 50 MET -0.94 -0.68 1 51 TRP 5.81 -2.64 1 52 HIS 7.01 -2.89 1 53 VAL 4.94 -2.25 1 54 THR -2.10 0.22 1 55 LYS 3.96 -4.60 1 57 ALA -0.62 -0.32 1 58 ALA 1.15 -0.96 1 59 LEU -6.11 2.75 1 60 ARG 0.18 -1.02 1 61 SER -1.71 -1.29 1 63 GLU 0.02 -0.73 1 65 ARG -3.03 1.62 1 66 LEU -0.59 -1.34 1 67 ASP -0.54 0.07 1 69 TYR -2.29 3.01 1 70 TRP -2.06 0.96 1 72 ASP -4.19 2.88 1 73 VAL 4.57 -1.83 1 74 LYS 4.52 -1.97 1 75 GLN 1.16 -0.45 1 76 ASP 2.05 -1.91 1 77 LEU -7.89 6.13 1 78 VAL -4.65 2.27 1 80 TYR -2.67 1.99 1 84 TRP 2.61 -0.97 1 85 LYS -2.38 0.39 1 86 LEU 3.53 -3.95 1 87 ASP -2.18 0.78 1 88 ALA 0.17 -0.16 1 89 ALA -6.17 2.84 1 90 TRP 1.18 -2.07 1 91 ASP 1.59 -1.86 1 93 LEU -3.40 3.75 1 94 SER 0.42 0.36 1 95 GLU 0.47 0.30 1 96 VAL -5.03 1.01 1 97 GLN -3.03 0.42 1 98 LEU -3.19 1.15 1 99 LEU 0.40 -2.57 1 100 ALA 0.18 -1.65 1 101 VAL 1.35 -2.76 1 105 GLU -6.36 3.23 1 106 ARG 0.49 -1.16 1 107 ALA -0.16 -0.76 1 108 LYS -3.43 1.96 1 109 ASN -0.25 -0.30 1 110 ILE -2.77 0.96 1 111 GLN -2.21 0.62 1 112 THR -1.00 -0.31 1 113 LEU -2.15 -0.10 1 116 ILE -6.34 4.11 1 118 LYS 1.35 -2.49 1 119 THR -5.67 2.98 1 120 LYS 4.02 -2.40 1 121 ASP -1.12 0.77 1 123 ASP -0.45 -0.11 1 124 ILE -3.80 2.57 1 126 ALA -4.15 1.63 1 127 VAL -4.98 0.33 1 128 ALA -0.41 -2.41 1 129 LEU -5.40 3.02 1 130 ASP -1.36 1.11 1 131 TYR -0.70 1.13 1 133 ALA 4.08 -1.82 1 135 THR 1.90 -1.12 1 136 SER 4.25 -0.83 1 138 SER 2.45 -0.36 1 140 ILE -1.16 -0.89 1 141 LEU -4.77 3.04 1 142 ASP -3.91 0.87 1 143 LYS 3.57 -2.64 1 146 ARG 0.08 -1.40 1 147 VAL 2.95 -2.50 1 148 ILE 0.95 -1.63 1 150 LEU -3.84 1.66 1 151 TYR -3.23 2.91 1 153 ASN -0.97 -0.06 1 155 VAL -6.18 2.80 1 156 VAL 0.14 -1.30 1 157 ILE 1.59 -1.87 1 158 LYS 5.59 -2.29 1 159 ASN 1.64 -2.44 1 161 SER 0.41 -0.30 1 162 TYR -3.65 2.72 1 163 VAL -3.07 0.78 1 164 SER -5.91 2.95 1 165 ALA 1.62 -1.14 1 166 ILE 3.94 -3.43 1 167 THR 3.97 -1.60 1 168 GLN -6.26 2.51 1 170 LYS -1.52 -0.10 1 171 ARG 0.10 -0.99 1 172 GLU -1.00 -0.05 1 173 GLU -0.55 -0.31 1 174 GLU -0.40 -0.35 1 175 THR 0.32 -0.57 1 177 VAL 0.60 -0.81 1 178 GLU 0.38 0.48 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26933_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.36 _LACS_plot.Line_1_terminator_val_y_1 -1.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.87 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 0.55 _LACS_plot.Y_axis_chem_shift_offset 0.56 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 155 VAL -6.18 -4.39 0 52 HIS 7.01 1.63 0 119 THR -5.67 1.98 0 51 TRP 5.81 3.19 0 13 GLU -0.36 -0.40 1 14 VAL 0.23 -0.33 1 15 LYS 0.11 -0.40 1 16 LYS 1.00 0.79 1 18 GLU 0.21 0.80 1 19 THR -0.75 -0.39 1 20 THR 1.10 1.23 1 21 ASP 1.96 0.64 1 27 MET -3.37 -0.74 1 28 THR -3.14 -1.16 1 29 ARG 0.69 -0.66 1 31 LEU 4.74 0.61 1 32 LEU 1.07 -0.71 1 34 SER -2.37 -0.84 1 35 THR -2.78 -2.28 1 36 GLN 0.72 -0.40 1 42 MET -4.21 -1.07 1 43 GLN -1.97 -1.41 1 44 GLU 2.97 -0.76 1 46 VAL -3.15 -1.33 1 50 MET -0.94 1.55 1 53 VAL 4.94 -0.76 1 54 THR -2.10 1.18 1 55 LYS 3.96 -0.83 1 57 ALA -0.62 -0.07 1 58 ALA 1.15 -2.10 1 59 LEU -6.11 -1.34 1 60 ARG 0.18 -0.99 1 61 SER -1.71 0.78 1 63 GLU 0.02 0.02 1 65 ARG -3.03 -1.45 1 66 LEU -0.59 -2.64 1 69 TYR -2.29 -1.33 1 70 TRP -2.06 -3.12 1 72 ASP -4.19 -0.69 1 73 VAL 4.57 -0.02 1 74 LYS 4.52 -0.14 1 75 GLN 1.16 0.12 1 76 ASP 2.05 -1.12 1 78 VAL -4.65 -4.60 1 80 TYR -2.67 0.56 1 84 TRP 2.61 1.78 1 85 LYS -2.38 0.62 1 86 LEU 3.53 -2.49 1 87 ASP -2.18 0.18 1 88 ALA 0.17 -2.70 1 89 ALA -6.17 0.94 1 90 TRP 1.18 0.92 1 93 LEU -3.40 -0.47 1 94 SER 0.42 -0.05 1 95 GLU 0.47 -1.01 1 96 VAL -5.03 -1.44 1 97 GLN -3.03 -0.57 1 98 LEU -3.19 -3.93 1 99 LEU 0.40 -3.86 1 100 ALA 0.18 -0.31 1 105 GLU -6.36 -1.27 1 106 ARG 0.49 -1.26 1 107 ALA -0.16 -0.45 1 108 LYS -3.43 -3.76 1 109 ASN -0.25 -1.02 1 110 ILE -2.77 -2.50 1 111 GLN -2.21 -2.68 1 112 THR -1.00 -3.99 1 116 ILE -6.34 -0.77 1 117 PHE -3.99 -1.04 1 118 LYS 1.35 -0.12 1 120 LYS 4.02 -0.10 1 121 ASP -1.12 -1.22 1 123 ASP -0.45 0.57 1 124 ILE -3.80 -0.84 1 126 ALA -4.15 -1.91 1 127 VAL -4.98 -1.80 1 128 ALA -0.41 -2.68 1 129 LEU -5.40 -1.60 1 130 ASP -1.36 -4.00 1 135 THR 1.90 3.22 1 136 SER 4.25 -2.35 1 140 ILE -1.16 -1.69 1 141 LEU -4.77 0.00 1 142 ASP -3.91 1.59 1 143 LYS 3.57 1.40 1 146 ARG 0.08 -0.28 1 147 VAL 2.95 0.21 1 148 ILE 0.95 -2.26 1 150 LEU -3.84 -0.64 1 151 TYR -3.23 -1.07 1 153 ASN -0.97 0.55 1 156 VAL 0.14 1.20 1 157 ILE 1.59 1.61 1 158 LYS 5.59 1.07 1 159 ASN 1.64 1.37 1 161 SER 0.41 -3.29 1 162 TYR -3.65 -1.91 1 163 VAL -3.07 -2.30 1 164 SER -5.91 0.68 1 165 ALA 1.62 2.39 1 166 ILE 3.94 -1.87 1 167 THR 3.97 -2.05 1 168 GLN -6.26 0.02 1 170 LYS -1.52 -1.08 1 171 ARG 0.10 -0.10 1 173 GLU -0.55 -0.25 1 174 GLU -0.40 -0.19 1 177 VAL 0.60 -0.79 1 stop_ save_