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 bmr19637_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.80 _LACS_plot.Line_1_terminator_val_y_1 -4.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.40 _LACS_plot.Line_2_terminator_val_x_2 5.70 _LACS_plot.Line_2_terminator_val_y_2 2.87 _LACS_plot.Y_axis_chem_shift_offset 1.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 MET 1.70 -4.98 0 10 ARG -3.02 -2.55 1 11 ALA -5.29 -2.87 1 13 SER -2.22 -1.93 1 14 ALA -2.10 -2.87 1 15 THR -1.13 -0.90 1 16 VAL 0.59 -1.39 1 17 ARG -3.99 -4.59 1 19 THR -0.12 -0.78 1 20 GLU -0.01 -1.12 1 22 ALA 0.58 -0.74 1 25 THR 1.08 -0.20 1 26 LEU 1.83 -0.42 1 28 SER 0.79 -0.16 1 29 LEU 1.40 -0.68 1 32 PHE -0.99 -1.33 1 33 SER -3.02 -2.55 1 34 VAL -2.65 -2.77 1 35 THR -0.65 -0.60 1 36 ASN -0.89 -1.69 1 37 ASN -3.64 1.77 1 38 THR 0.15 -0.51 1 40 LEU 0.41 -0.77 1 42 LEU -5.92 -2.94 1 43 THR -3.97 -3.74 1 44 PHE -3.39 -2.22 1 45 THR -0.33 -1.70 1 46 TYR -7.22 -3.75 1 48 ALA 2.19 0.80 1 49 THR -4.74 -4.01 1 50 ASP 1.89 0.58 1 51 ASN -0.01 1.32 1 52 ILE -0.13 -1.45 1 54 VAL -2.52 -2.55 1 55 GLU -8.16 -3.33 1 56 LEU -5.79 -3.17 1 57 LEU -2.77 -2.01 1 58 ALA -5.56 -3.58 1 59 ALA -2.99 -2.43 1 60 THR 4.03 -2.28 1 62 PHE -0.99 -0.98 1 63 ARG -4.35 -3.35 1 66 ILE -2.98 -3.14 1 68 THR -4.60 -3.13 1 69 ARG 4.96 2.23 1 70 ALA 1.89 0.77 1 71 THR -1.48 -0.90 1 73 ASP 2.42 0.84 1 74 ILE -3.69 -1.19 1 75 ALA -4.50 -2.08 1 76 THR -1.13 -1.26 1 77 VAL -5.98 -4.85 1 78 HIS -3.12 -2.17 1 79 HIS -5.61 -0.58 1 80 LEU -8.80 -4.94 1 83 THR -3.53 -1.26 1 84 LEU -5.04 -2.68 1 85 MET -4.64 -2.98 1 86 ALA -2.55 -2.70 1 87 GLN -7.23 -2.34 1 88 TRP -3.43 -2.55 1 90 PHE 1.26 0.12 1 92 ASP -3.04 -2.58 1 93 ALA 2.87 0.68 1 94 SER 0.93 -0.11 1 95 SER 1.37 0.15 1 96 LYS 0.13 -1.60 1 97 PHE -3.73 -3.01 1 98 ARG -4.26 -3.53 1 100 TYR -3.67 -2.95 1 101 VAL -6.58 -5.10 1 103 ALA -5.29 -2.67 1 105 ILE -6.60 -3.75 1 106 ASN -3.47 -1.52 1 107 TYR -5.45 -3.40 1 108 THR -0.87 -1.35 1 112 ASP 3.12 -0.32 1 113 ASN -2.81 -2.36 1 115 PHE 0.31 -0.21 1 116 ASN -1.17 -3.03 1 117 ASP 5.70 3.15 1 118 HIS 4.04 1.77 1 120 LYS 4.96 2.52 1 121 GLU 3.22 1.05 1 122 ALA 0.93 -1.46 1 124 LEU 2.55 -1.83 1 125 SER -2.92 -1.04 1 126 ASP 2.76 0.39 1 127 LEU 1.35 -0.73 1 128 SER -1.73 -1.18 1 129 LEU -1.40 -1.26 1 130 LYS -0.58 -1.16 1 131 ASP 1.13 0.26 1 132 SER -2.80 -2.51 1 133 TRP -3.99 -2.19 1 135 ALA -1.57 -1.36 1 136 ALA -7.12 -3.01 1 141 VAL -3.33 -2.29 1 142 ASP -5.17 -2.49 1 143 TYR -4.92 -2.95 1 144 LEU 2.14 0.42 1 145 ILE 0.94 -1.00 1 146 ASN 0.17 -1.78 1 147 ARG 4.78 2.58 1 148 ASP -1.40 0.13 1 149 TRP -4.13 -2.01 1 150 LEU -4.94 -2.94 1 151 VAL -3.85 -2.90 1 152 ASN -5.07 -1.34 1 153 MET -4.72 -1.38 1 154 SER -2.57 -1.75 1 156 TRP -7.87 -4.24 1 161 ASP -2.51 -1.78 1 162 THR -2.91 -4.54 1 163 THR 0.35 -1.17 1 164 ALA -3.16 -3.31 1 165 ASN -3.12 -1.96 1 166 TYR -1.36 -2.50 1 167 LYS -3.73 -2.45 1 168 LEU -3.08 -2.59 1 171 ALA -1.84 -2.61 1 172 GLN 1.55 0.32 1 173 GLN -3.55 -3.54 1 174 HIS -2.23 -1.55 1 175 ASP -5.48 -1.47 1 176 SER 0.44 -0.60 1 177 VAL -1.54 -1.92 1 178 ARG -0.23 -1.98 1 182 TRP -4.48 -2.27 1 183 VAL -3.37 -3.57 1 185 MET -2.82 -2.31 1 186 PHE -3.56 -2.57 1 187 SER -3.28 -0.95 1 188 ALA -5.39 -3.41 1 190 TYR -6.33 -2.77 1 191 ARG -1.52 -2.47 1 192 PHE 2.48 1.69 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19637_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.80 _LACS_plot.Line_1_terminator_val_y_1 4.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.40 _LACS_plot.Line_2_terminator_val_x_2 5.70 _LACS_plot.Line_2_terminator_val_y_2 -2.83 _LACS_plot.Y_axis_chem_shift_offset 1.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 MET 1.70 -6.68 0 10 ARG -3.02 0.47 1 11 ALA -5.29 2.42 1 13 SER -2.22 0.29 1 14 ALA -2.10 -0.77 1 15 THR -1.13 0.23 1 16 VAL 0.59 -1.98 1 17 ARG -3.99 -0.60 1 19 THR -0.12 -0.66 1 20 GLU -0.01 -1.11 1 22 ALA 0.58 -1.32 1 25 THR 1.08 -1.28 1 26 LEU 1.83 -2.25 1 28 SER 0.79 -0.95 1 29 LEU 1.40 -2.08 1 32 PHE -0.99 -0.34 1 33 SER -3.02 0.47 1 34 VAL -2.65 -0.12 1 35 THR -0.65 0.05 1 36 ASN -0.89 -0.80 1 37 ASN -3.64 5.41 1 38 THR 0.15 -0.66 1 40 LEU 0.41 -1.18 1 42 LEU -5.92 2.98 1 43 THR -3.97 0.23 1 44 PHE -3.39 1.17 1 45 THR -0.33 -1.37 1 46 TYR -7.22 3.47 1 48 ALA 2.19 -1.39 1 49 THR -4.74 0.73 1 50 ASP 1.89 -1.31 1 51 ASN -0.01 1.33 1 52 ILE -0.13 -1.32 1 54 VAL -2.52 -0.03 1 55 GLU -8.16 4.83 1 56 LEU -5.79 2.62 1 57 LEU -2.77 0.76 1 58 ALA -5.56 1.98 1 59 ALA -2.99 0.56 1 60 THR 4.03 -6.31 1 62 PHE -0.99 0.01 1 63 ARG -4.35 1.00 1 66 ILE -2.98 -0.16 1 68 THR -4.60 1.47 1 69 ARG 4.96 -2.73 1 70 ALA 1.89 -1.12 1 71 THR -1.48 0.58 1 73 ASP 2.42 -1.58 1 74 ILE -3.69 2.50 1 75 ALA -4.50 2.42 1 76 THR -1.13 -0.13 1 77 VAL -5.98 1.13 1 78 HIS -3.12 0.95 1 79 HIS -5.61 5.03 1 80 LEU -8.80 3.86 1 83 THR -3.53 2.27 1 84 LEU -5.04 2.36 1 85 MET -4.64 1.66 1 86 ALA -2.55 -0.15 1 87 GLN -7.23 4.89 1 88 TRP -3.43 0.88 1 90 PHE 1.26 -1.14 1 92 ASP -3.04 0.46 1 93 ALA 2.87 -2.19 1 94 SER 0.93 -1.04 1 95 SER 1.37 -1.22 1 96 LYS 0.13 -1.73 1 97 PHE -3.73 0.72 1 98 ARG -4.26 0.73 1 100 TYR -3.67 0.72 1 101 VAL -6.58 1.48 1 103 ALA -5.29 2.62 1 105 ILE -6.60 2.85 1 106 ASN -3.47 1.95 1 107 TYR -5.45 2.05 1 108 THR -0.87 -0.48 1 112 ASP 3.12 -3.44 1 113 ASN -2.81 0.45 1 115 PHE 0.31 -0.52 1 116 ASN -1.17 -1.86 1 117 ASP 5.70 -2.55 1 118 HIS 4.04 -2.27 1 120 LYS 4.96 -2.44 1 121 GLU 3.22 -2.17 1 122 ALA 0.93 -2.39 1 124 LEU 2.55 -4.38 1 125 SER -2.92 1.88 1 126 ASP 2.76 -2.37 1 127 LEU 1.35 -2.08 1 128 SER -1.73 0.55 1 129 LEU -1.40 0.14 1 130 LYS -0.58 -0.58 1 131 ASP 1.13 -0.87 1 132 SER -2.80 0.29 1 133 TRP -3.99 1.80 1 135 ALA -1.57 0.21 1 136 ALA -7.12 4.11 1 141 VAL -3.33 1.04 1 142 ASP -5.17 2.68 1 143 TYR -4.92 1.97 1 144 LEU 2.14 -1.72 1 145 ILE 0.94 -1.94 1 146 ASN 0.17 -1.95 1 147 ARG 4.78 -2.20 1 148 ASP -1.40 1.53 1 149 TRP -4.13 2.12 1 150 LEU -4.94 2.00 1 151 VAL -3.85 0.95 1 152 ASN -5.07 3.73 1 153 MET -4.72 3.34 1 154 SER -2.57 0.82 1 156 TRP -7.87 3.63 1 161 ASP -2.51 0.73 1 162 THR -2.91 -1.63 1 163 THR 0.35 -1.52 1 164 ALA -3.16 -0.15 1 165 ASN -3.12 1.16 1 166 TYR -1.36 -1.14 1 167 LYS -3.73 1.28 1 168 LEU -3.08 0.49 1 171 ALA -1.84 -0.77 1 172 GLN 1.55 -1.23 1 173 GLN -3.55 0.01 1 174 HIS -2.23 0.68 1 175 ASP -5.48 4.01 1 176 SER 0.44 -1.04 1 177 VAL -1.54 -0.38 1 178 ARG -0.23 -1.75 1 182 TRP -4.48 2.21 1 183 VAL -3.37 -0.20 1 185 MET -2.82 0.51 1 186 PHE -3.56 0.99 1 187 SER -3.28 2.33 1 188 ALA -5.39 1.98 1 190 TYR -6.33 3.56 1 191 ARG -1.52 -0.95 1 192 PHE 2.48 -0.79 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19637_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.80 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _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 5.70 _LACS_plot.Line_2_terminator_val_y_2 1.07 _LACS_plot.Y_axis_chem_shift_offset 0.70 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 60 THR 4.03 -3.73 0 192 PHE 2.48 4.90 0 120 LYS 4.96 5.01 0 10 ARG -3.02 -1.01 1 11 ALA -5.29 -1.74 1 13 SER -2.22 -1.00 1 15 THR -1.13 0.53 1 16 VAL 0.59 -1.87 1 17 ARG -3.99 -2.86 1 20 GLU -0.01 0.41 1 22 ALA 0.58 0.36 1 25 THR 1.08 0.47 1 26 LEU 1.83 0.32 1 29 LEU 1.40 -0.09 1 32 PHE -0.99 -0.30 1 33 SER -3.02 -1.23 1 42 LEU -5.92 -2.25 1 43 THR -3.97 -1.18 1 44 PHE -3.39 -1.88 1 45 THR -0.33 -3.81 1 46 TYR -7.22 -1.65 1 47 MET 1.70 -1.22 1 48 ALA 2.19 0.77 1 49 THR -4.74 -2.75 1 50 ASP 1.89 -0.98 1 51 ASN -0.01 -3.52 1 52 ILE -0.13 -0.90 1 54 VAL -2.52 -2.99 1 55 GLU -8.16 -3.03 1 56 LEU -5.79 -2.81 1 57 LEU -2.77 -3.02 1 58 ALA -5.56 -4.87 1 59 ALA -2.99 -1.55 1 62 PHE -0.99 -0.87 1 63 ARG -4.35 -1.88 1 66 ILE -2.98 -1.26 1 68 THR -4.60 0.87 1 69 ARG 4.96 2.00 1 70 ALA 1.89 1.48 1 71 THR -1.48 1.44 1 73 ASP 2.42 1.59 1 74 ILE -3.69 -1.39 1 76 THR -1.13 -1.66 1 77 VAL -5.98 -1.34 1 78 HIS -3.12 -0.47 1 79 HIS -5.61 -0.26 1 80 LEU -8.80 0.22 1 83 THR -3.53 -3.34 1 84 LEU -5.04 -3.23 1 85 MET -4.64 -0.89 1 86 ALA -2.55 -1.59 1 87 GLN -7.23 -0.50 1 88 TRP -3.43 -1.37 1 90 PHE 1.26 0.50 1 92 ASP -3.04 -0.33 1 93 ALA 2.87 0.95 1 94 SER 0.93 0.75 1 98 ARG -4.26 -3.25 1 100 TYR -3.67 -2.85 1 101 VAL -6.58 -2.84 1 103 ALA -5.29 -2.19 1 105 ILE -6.60 -4.12 1 106 ASN -3.47 -3.78 1 107 TYR -5.45 -2.83 1 108 THR -0.87 -2.24 1 112 ASP 3.12 -0.81 1 113 ASN -2.81 0.50 1 115 PHE 0.31 0.39 1 116 ASN -1.17 0.21 1 117 ASP 5.70 2.00 1 118 HIS 4.04 3.72 1 121 GLU 3.22 0.73 1 122 ALA 0.93 -1.30 1 124 LEU 2.55 -1.31 1 125 SER -2.92 -1.35 1 126 ASP 2.76 -2.19 1 127 LEU 1.35 -0.87 1 128 SER -1.73 -2.56 1 129 LEU -1.40 -1.19 1 130 LYS -0.58 0.15 1 131 ASP 1.13 -0.30 1 132 SER -2.80 -2.68 1 133 TRP -3.99 2.14 1 135 ALA -1.57 -2.92 1 136 ALA -7.12 -2.37 1 141 VAL -3.33 -4.32 1 142 ASP -5.17 -1.04 1 143 TYR -4.92 -2.03 1 144 LEU 2.14 -2.81 1 145 ILE 0.94 1.19 1 147 ARG 4.78 0.17 1 148 ASP -1.40 -1.93 1 149 TRP -4.13 -0.53 1 150 LEU -4.94 -2.46 1 151 VAL -3.85 -2.78 1 153 MET -4.72 -2.31 1 154 SER -2.57 -2.48 1 156 TRP -7.87 -0.86 1 164 ALA -3.16 -2.81 1 165 ASN -3.12 -2.15 1 166 TYR -1.36 -3.64 1 167 LYS -3.73 -1.84 1 168 LEU -3.08 0.28 1 171 ALA -1.84 -0.23 1 172 GLN 1.55 -1.13 1 173 GLN -3.55 -1.05 1 174 HIS -2.23 -1.00 1 175 ASP -5.48 -1.29 1 176 SER 0.44 -1.10 1 177 VAL -1.54 -2.90 1 178 ARG -0.23 -1.20 1 182 TRP -4.48 0.51 1 185 MET -2.82 -4.11 1 186 PHE -3.56 -0.98 1 187 SER -3.28 -3.29 1 188 ALA -5.39 -1.80 1 190 TYR -6.33 -2.29 1 stop_ save_