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 bmr16679_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.18 _LACS_plot.Line_1_terminator_val_y_1 -2.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 6.50 _LACS_plot.Line_2_terminator_val_y_2 3.76 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 157 GLU 5.26 6.11 0 34 ASN 0.69 0.40 1 35 ILE 1.17 0.91 1 36 PHE -0.47 -0.74 1 37 ALA -2.13 -0.41 1 39 GLU -0.27 0.73 1 41 ASN -0.82 -0.58 1 42 TYR 0.13 0.91 1 43 ARG -0.52 0.85 1 44 TYR -0.49 0.66 1 45 LEU -3.48 -0.97 1 46 THR -2.48 -1.18 1 47 TYR -4.95 -2.08 1 49 ALA -5.32 -1.82 1 50 GLU -5.32 -1.87 1 51 LYS 0.62 0.39 1 52 LEU -0.61 -2.27 1 56 SER -0.24 0.15 1 57 TYR -4.23 -0.65 1 58 ALA -3.82 -2.24 1 59 LEU -2.38 -1.18 1 60 ARG -4.22 -1.44 1 61 VAL -2.28 -1.33 1 62 GLN -4.25 -1.54 1 64 GLU -2.50 -0.95 1 66 ALA -1.96 -0.57 1 67 LYS 0.52 -0.67 1 69 GLU 3.23 1.85 1 70 MET -0.31 -0.94 1 71 LEU 2.75 -0.95 1 72 ALA -4.40 -0.89 1 74 THR -3.64 -1.95 1 75 ALA -6.24 -0.89 1 76 VAL -2.54 -1.01 1 77 TYR -5.33 -1.25 1 78 ASN -5.04 -0.67 1 80 GLU -6.22 -1.65 1 81 VAL -6.84 -1.87 1 82 LEU -1.50 -0.18 1 83 HIS -5.51 0.54 1 84 PHE -3.21 -1.00 1 85 HIS -3.81 -0.93 1 87 GLU 0.20 -0.23 1 88 ASN -1.25 2.09 1 90 ARG -2.93 -1.03 1 92 TYR -3.17 -0.52 1 94 THR -4.21 -0.90 1 95 ARG -2.32 -1.74 1 97 ARG -4.48 -0.50 1 98 PHE -6.79 -2.63 1 99 ALA -4.81 -1.17 1 100 ALA -4.05 -0.89 1 101 LYS -0.82 -0.32 1 102 VAL -2.94 -1.07 1 103 ASP -2.75 -1.97 1 104 PHE 6.00 4.35 1 106 SER 0.17 -0.05 1 107 LYS 5.64 1.15 1 108 SER -3.89 -0.80 1 109 VAL -2.97 -1.00 1 110 ASP -3.30 -0.95 1 112 ILE -4.57 -0.62 1 113 ILE -2.08 -0.60 1 114 ASP -1.66 -1.56 1 115 SER 1.82 2.11 1 117 ASP -2.21 -2.73 1 118 ASP 3.60 3.10 1 119 LEU 0.99 0.28 1 120 HIS 1.31 0.53 1 121 MET 5.31 4.55 1 123 THR -0.25 -0.43 1 124 GLN -6.13 -2.75 1 126 PHE -4.77 -1.53 1 127 LYS -4.61 -1.47 1 128 ALA -6.58 -1.71 1 129 ALA -4.56 -2.12 1 130 ILE -1.47 -0.24 1 131 ASP -2.38 -0.39 1 133 ASN -1.04 -1.72 1 135 PHE -5.35 -2.31 1 136 LYS -3.25 -0.46 1 138 THR -1.39 -1.53 1 139 TRP -2.19 -1.72 1 140 THR 6.50 1.58 1 146 ASP -3.86 -0.49 1 147 VAL -2.47 -0.83 1 148 SER -3.60 -1.21 1 150 ARG -4.73 -1.38 1 151 PHE -1.65 0.24 1 152 TYR -3.74 0.62 1 155 ALA -2.53 -2.80 1 158 GLU -7.18 -1.98 1 159 VAL -5.96 -3.59 1 160 ALA -5.11 -0.99 1 162 LYS -6.11 -2.41 1 163 TYR -5.16 -1.03 1 164 SER -3.01 -0.72 1 172 LYS -6.62 -1.82 1 175 PHE -2.95 -1.70 1 177 VAL -7.02 -3.68 1 178 PHE -6.55 -2.50 1 179 ALA -3.99 -1.07 1 181 LYS -5.27 -0.87 1 182 LYS -0.41 0.41 1 183 GLU -0.82 0.02 1 184 GLN -0.90 0.29 1 185 ASP -0.30 1.04 1 186 LEU 4.49 2.72 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16679_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.18 _LACS_plot.Line_1_terminator_val_y_1 4.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.05 _LACS_plot.Line_2_terminator_val_x_2 6.50 _LACS_plot.Line_2_terminator_val_y_2 -2.74 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 157 GLU 5.26 0.85 0 34 ASN 0.69 -0.29 1 35 ILE 1.17 -0.26 1 36 PHE -0.47 -0.27 1 37 ALA -2.13 1.72 1 39 GLU -0.27 1.00 1 41 ASN -0.82 0.24 1 42 TYR 0.13 0.78 1 43 ARG -0.52 1.37 1 44 TYR -0.49 1.15 1 45 LEU -3.48 2.51 1 46 THR -2.48 1.30 1 47 TYR -4.95 2.87 1 49 ALA -5.32 3.50 1 50 GLU -5.32 3.45 1 51 LYS 0.62 -0.23 1 52 LEU -0.61 -1.66 1 56 SER -0.24 0.39 1 57 TYR -4.23 3.58 1 58 ALA -3.82 1.58 1 59 LEU -2.38 1.20 1 60 ARG -4.22 2.78 1 61 VAL -2.28 0.95 1 62 GLN -4.25 2.71 1 64 GLU -2.50 1.55 1 66 ALA -1.96 1.39 1 67 LYS 0.52 -1.19 1 69 GLU 3.23 -1.38 1 70 MET -0.31 -0.63 1 71 LEU 2.75 -3.70 1 72 ALA -4.40 3.51 1 74 THR -3.64 1.69 1 75 ALA -6.24 5.35 1 76 VAL -2.54 1.53 1 77 TYR -5.33 4.08 1 78 ASN -5.04 4.37 1 80 GLU -6.22 4.57 1 81 VAL -6.84 4.97 1 82 LEU -1.50 1.32 1 83 HIS -5.51 6.05 1 84 PHE -3.21 2.21 1 85 HIS -3.81 2.88 1 87 GLU 0.20 -0.43 1 88 ASN -1.25 3.34 1 90 ARG -2.93 1.90 1 92 TYR -3.17 2.65 1 94 THR -4.21 3.31 1 95 ARG -2.32 0.58 1 97 ARG -4.48 3.98 1 98 PHE -6.79 4.16 1 99 ALA -4.81 3.64 1 100 ALA -4.05 3.16 1 101 LYS -0.82 0.50 1 102 VAL -2.94 1.87 1 103 ASP -2.75 0.78 1 104 PHE 6.00 -1.65 1 106 SER 0.17 -0.22 1 107 LYS 5.64 -4.49 1 108 SER -3.89 3.09 1 109 VAL -2.97 1.97 1 110 ASP -3.30 2.35 1 112 ILE -4.57 3.95 1 113 ILE -2.08 1.48 1 114 ASP -1.66 0.10 1 115 SER 1.82 0.29 1 117 ASP -2.21 -0.52 1 118 ASP 3.60 -0.50 1 119 LEU 0.99 -0.71 1 120 HIS 1.31 -0.78 1 121 MET 5.31 -0.76 1 123 THR -0.25 -0.18 1 124 GLN -6.13 3.38 1 126 PHE -4.77 3.24 1 127 LYS -4.61 3.14 1 128 ALA -6.58 4.87 1 129 ALA -4.56 2.44 1 130 ILE -1.47 1.23 1 131 ASP -2.38 1.99 1 133 ASN -1.04 -0.68 1 135 PHE -5.35 3.04 1 136 LYS -3.25 2.79 1 138 THR -1.39 -0.14 1 139 TRP -2.19 0.47 1 140 THR 6.50 -4.92 1 146 ASP -3.86 3.37 1 147 VAL -2.47 1.64 1 148 SER -3.60 2.39 1 150 ARG -4.73 3.35 1 151 PHE -1.65 1.89 1 152 TYR -3.74 4.36 1 155 ALA -2.53 -0.27 1 158 GLU -7.18 5.20 1 159 VAL -5.96 2.37 1 160 ALA -5.11 4.12 1 162 LYS -6.11 3.70 1 163 TYR -5.16 4.13 1 164 SER -3.01 2.29 1 172 LYS -6.62 4.80 1 175 PHE -2.95 1.25 1 177 VAL -7.02 3.34 1 178 PHE -6.55 4.05 1 179 ALA -3.99 2.92 1 181 LYS -5.27 4.40 1 182 LYS -0.41 0.82 1 183 GLU -0.82 0.84 1 184 GLN -0.90 1.19 1 185 ASP -0.30 1.34 1 186 LEU 4.49 -1.77 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16679_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.18 _LACS_plot.Line_1_terminator_val_y_1 0.99 _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 0.33 _LACS_plot.Line_2_terminator_val_x_2 6.50 _LACS_plot.Line_2_terminator_val_y_2 -0.75 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 140 THR 6.50 0.14 0 34 ASN 0.69 -0.02 1 35 ILE 1.17 -0.14 1 36 PHE -0.47 -0.03 1 37 ALA -2.13 0.03 1 39 GLU -0.27 -0.01 1 41 ASN -0.82 0.01 1 42 TYR 0.13 0.04 1 43 ARG -0.52 -0.06 1 44 TYR -0.49 0.22 1 45 LEU -3.48 0.38 1 46 THR -2.48 0.05 1 47 TYR -4.95 1.04 1 49 ALA -5.32 1.30 1 50 GLU -5.32 0.33 1 51 LYS 0.62 -0.40 1 52 LEU -0.61 0.30 1 56 SER -0.24 0.30 1 57 TYR -4.23 0.65 1 58 ALA -3.82 0.77 1 59 LEU -2.38 0.75 1 60 ARG -4.22 0.82 1 61 VAL -2.28 0.55 1 62 GLN -4.25 0.54 1 64 GLU -2.50 0.35 1 66 ALA -1.96 0.11 1 67 LYS 0.52 0.11 1 69 GLU 3.23 -0.13 1 70 MET -0.31 0.00 1 71 LEU 2.75 -0.65 1 72 ALA -4.40 0.14 1 74 THR -3.64 1.07 1 75 ALA -6.24 0.43 1 76 VAL -2.54 0.83 1 77 TYR -5.33 0.74 1 78 ASN -5.04 0.68 1 80 GLU -6.22 0.95 1 81 VAL -6.84 0.91 1 82 LEU -1.50 0.57 1 83 HIS -5.51 0.38 1 84 PHE -3.21 0.27 1 85 HIS -3.81 0.32 1 87 GLU 0.20 0.12 1 88 ASN -1.25 -0.05 1 90 ARG -2.93 0.32 1 92 TYR -3.17 0.14 1 94 THR -4.21 0.19 1 95 ARG -2.32 0.80 1 97 ARG -4.48 0.92 1 98 PHE -6.79 0.63 1 99 ALA -4.81 0.45 1 100 ALA -4.05 0.47 1 101 LYS -0.82 0.54 1 102 VAL -2.94 0.23 1 103 ASP -2.75 0.30 1 104 PHE 6.00 -0.51 1 106 SER 0.17 0.05 1 107 LYS 5.64 -0.57 1 108 SER -3.89 0.77 1 109 VAL -2.97 0.23 1 110 ASP -3.30 0.31 1 112 ILE -4.57 0.64 1 113 ILE -2.08 0.10 1 114 ASP -1.66 0.21 1 115 SER 1.82 -0.25 1 117 ASP -2.21 0.24 1 118 ASP 3.60 -0.67 1 119 LEU 0.99 -0.28 1 120 HIS 1.31 0.13 1 121 MET 5.31 -0.59 1 123 THR -0.25 0.96 1 124 GLN -6.13 0.43 1 126 PHE -4.77 0.85 1 127 LYS -4.61 0.82 1 128 ALA -6.58 0.84 1 129 ALA -4.56 1.05 1 130 ILE -1.47 0.56 1 131 ASP -2.38 0.26 1 133 ASN -1.04 0.09 1 135 PHE -5.35 1.15 1 136 LYS -3.25 0.96 1 138 THR -1.39 -0.07 1 139 TRP -2.19 0.59 1 146 ASP -3.86 0.37 1 147 VAL -2.47 0.33 1 148 SER -3.60 0.53 1 150 ARG -4.73 0.44 1 151 PHE -1.65 0.59 1 152 TYR -3.74 0.36 1 155 ALA -2.53 0.16 1 157 GLU 5.26 -0.41 1 158 GLU -7.18 1.44 1 159 VAL -5.96 1.38 1 160 ALA -5.11 0.55 1 162 LYS -6.11 1.16 1 163 TYR -5.16 1.22 1 164 SER -3.01 0.71 1 172 LYS -6.62 0.11 1 175 PHE -2.95 0.54 1 177 VAL -7.02 1.21 1 178 PHE -6.55 1.07 1 179 ALA -3.99 0.91 1 181 LYS -5.27 1.46 1 182 LYS -0.41 -0.62 1 183 GLU -0.82 0.04 1 184 GLN -0.90 0.00 1 185 ASP -0.30 -0.33 1 186 LEU 4.49 -0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16679_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.18 _LACS_plot.Line_1_terminator_val_y_1 -2.44 _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 -1.27 _LACS_plot.Line_2_terminator_val_x_2 5.99 _LACS_plot.Line_2_terminator_val_y_2 0.34 _LACS_plot.Y_axis_chem_shift_offset 0.87 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 PHE 6.00 2.27 0 186 LEU 4.49 -2.95 0 82 LEU -1.50 -5.72 0 34 ASN 0.69 0.29 1 35 ILE 1.17 -1.25 1 36 PHE -0.47 -2.39 1 37 ALA -2.13 -0.89 1 39 GLU -0.27 1.96 1 41 ASN -0.82 -1.01 1 42 TYR 0.13 0.03 1 43 ARG -0.52 1.46 1 44 TYR -0.49 -1.82 1 45 LEU -3.48 -2.25 1 46 THR -2.48 -2.56 1 47 TYR -4.95 -1.25 1 49 ALA -5.32 -1.75 1 50 GLU -5.32 -2.23 1 51 LYS 0.62 -0.79 1 52 LEU -0.61 -1.85 1 56 SER -0.24 -3.08 1 57 TYR -4.23 -1.63 1 58 ALA -3.82 -1.61 1 59 LEU -2.38 -2.51 1 62 GLN -4.25 -2.29 1 64 GLU -2.50 -1.62 1 66 ALA -1.96 -0.38 1 67 LYS 0.52 1.34 1 69 GLU 3.23 0.45 1 70 MET -0.31 -0.59 1 71 LEU 2.75 -3.00 1 72 ALA -4.40 -1.43 1 74 THR -3.64 -0.24 1 75 ALA -6.24 -2.93 1 76 VAL -2.54 -2.02 1 77 TYR -5.33 -0.96 1 78 ASN -5.04 0.08 1 80 GLU -6.22 -3.31 1 81 VAL -6.84 -1.20 1 83 HIS -5.51 -0.69 1 84 PHE -3.21 -1.69 1 85 HIS -3.81 -0.92 1 94 THR -4.21 -2.13 1 95 ARG -2.32 -0.24 1 97 ARG -4.48 -3.31 1 98 PHE -6.79 -3.00 1 99 ALA -4.81 -2.48 1 100 ALA -4.05 -3.12 1 101 LYS -0.82 -1.50 1 102 VAL -2.94 -3.07 1 103 ASP -2.75 0.30 1 106 SER 0.17 -1.12 1 107 LYS 5.64 -0.70 1 108 SER -3.89 -2.37 1 109 VAL -2.97 -2.46 1 110 ASP -3.30 -1.39 1 112 ILE -4.57 -2.23 1 113 ILE -2.08 -2.67 1 114 ASP -1.66 -0.27 1 117 ASP -2.21 0.62 1 118 ASP 3.60 0.55 1 119 LEU 0.99 -0.62 1 120 HIS 1.31 -0.67 1 121 MET 5.31 -0.68 1 123 THR -0.25 -0.72 1 124 GLN -6.13 -1.26 1 128 ALA -6.58 -3.66 1 129 ALA -4.56 -0.06 1 130 ILE -1.47 -1.41 1 131 ASP -2.38 -0.01 1 133 ASN -1.04 -1.23 1 135 PHE -5.35 -2.27 1 136 LYS -3.25 -0.18 1 138 THR -1.39 -2.71 1 139 TRP -2.19 1.75 1 146 ASP -3.86 -2.90 1 147 VAL -2.47 -1.93 1 148 SER -3.60 -2.68 1 150 ARG -4.73 -3.78 1 151 PHE -1.65 -1.03 1 152 TYR -3.74 -0.13 1 155 ALA -2.53 0.20 1 157 GLU 5.26 0.45 1 158 GLU -7.18 -2.44 1 159 VAL -5.96 -5.09 1 160 ALA -5.11 -2.21 1 162 LYS -6.11 -2.85 1 172 LYS -6.62 -1.07 1 175 PHE -2.95 -4.42 1 177 VAL -7.02 -2.45 1 178 PHE -6.55 -3.27 1 179 ALA -3.99 -1.84 1 181 LYS -5.27 -0.75 1 182 LYS -0.41 0.17 1 183 GLU -0.82 -0.08 1 184 GLN -0.90 -0.77 1 185 ASP -0.30 -0.68 1 stop_ save_