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 bmr6995_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.63 _LACS_plot.Line_1_terminator_val_y_1 -2.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.51 _LACS_plot.Line_2_terminator_val_x_2 7.63 _LACS_plot.Line_2_terminator_val_y_2 5.83 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 MET -6.63 -0.64 0 10 VAL -0.96 -0.67 1 11 VAL -2.05 -1.78 1 13 ILE 0.52 -0.10 1 16 HIS 0.29 2.40 1 17 VAL 2.30 1.06 1 18 ASP 2.02 1.92 1 19 HIS 2.24 3.86 1 22 THR 6.91 5.48 1 23 THR 7.53 5.45 1 24 LEU 4.89 3.50 1 25 LEU 4.07 3.18 1 26 ASP 3.75 3.11 1 27 ALA 3.15 2.52 1 28 ILE 5.55 4.93 1 29 ARG 3.32 2.45 1 30 HIS 1.56 1.77 1 31 SER 0.96 1.44 1 32 LYS -1.36 -1.38 1 33 VAL 1.88 1.03 1 34 THR -1.20 -0.39 1 35 GLU -2.29 -0.60 1 36 GLN -4.20 0.31 1 37 GLU -0.77 -0.10 1 38 ALA -0.10 0.14 1 41 ILE 0.61 0.47 1 42 THR 0.15 0.02 1 44 HIS -0.15 1.12 1 45 ILE 0.17 0.24 1 47 ALA -4.24 -1.28 1 48 TYR -3.69 -1.20 1 49 GLN -3.03 -1.06 1 50 VAL -4.57 -2.20 1 51 THR 0.56 0.18 1 52 VAL -2.08 -1.25 1 53 ASN 3.79 1.70 1 54 ASP 2.16 1.36 1 55 LYS -2.97 -1.34 1 57 ILE -3.30 -0.20 1 58 THR 0.70 0.40 1 68 PHE 2.01 1.53 1 81 ILE -5.69 -0.48 1 82 VAL -3.50 -1.54 1 83 ILE -1.88 -2.70 1 84 LEU -4.73 -2.75 1 85 VAL 0.59 -0.21 1 86 VAL -3.64 -1.79 1 87 ALA 0.42 -0.24 1 88 ALA 0.53 1.45 1 89 ASP -0.01 -1.22 1 90 ASP -1.84 0.30 1 92 VAL 4.94 3.15 1 93 MET -0.35 -0.61 1 95 GLN 5.10 3.17 1 96 THR 7.62 5.57 1 97 VAL 5.56 4.31 1 98 GLU 2.76 2.84 1 99 ALA 3.11 2.99 1 100 ILE 5.56 4.90 1 101 ASN 4.48 2.93 1 102 HIS 3.12 4.23 1 103 ALA 4.21 3.00 1 104 LYS 3.65 3.00 1 105 ALA 3.22 2.11 1 106 ALA -1.23 -0.76 1 107 ASN 2.61 0.98 1 108 VAL -1.65 -1.25 1 110 ILE -5.04 -1.60 1 111 ILE -3.12 -0.86 1 112 VAL 0.76 -0.09 1 113 ALA -4.12 -3.26 1 114 ILE 2.00 -0.44 1 115 ASN -6.12 -2.02 1 116 LYS 4.84 0.79 1 117 MET 2.71 -0.68 1 118 ASP -0.45 -0.10 1 119 LYS 2.99 1.28 1 121 GLU 0.99 -0.04 1 122 ALA 1.07 1.45 1 123 ASN -0.54 -1.39 1 125 ASP 4.72 4.05 1 126 ARG 3.75 2.92 1 127 VAL 5.51 4.24 1 128 MET 5.03 5.50 1 129 GLN 5.07 3.97 1 130 GLU 2.85 3.06 1 131 LEU 4.02 2.82 1 132 MET 4.93 4.36 1 133 GLU 2.48 1.56 1 134 TYR 0.80 0.08 1 135 ASN 3.66 1.70 1 136 LEU -0.24 -1.25 1 137 VAL -1.58 -0.60 1 139 GLU 2.48 2.56 1 140 GLU 3.01 2.10 1 141 TRP -3.41 -3.69 1 144 ASP -2.24 -1.14 1 145 THR 0.72 1.44 1 146 ILE 1.75 1.05 1 147 PHE -4.54 -2.17 1 149 LYS 0.05 -0.10 1 150 LEU -2.29 0.03 1 151 SER -2.53 -1.71 1 152 ALA 3.05 2.14 1 153 LYS 0.72 1.85 1 154 THR 0.44 0.30 1 155 LYS 7.64 3.46 1 156 GLU 1.29 1.37 1 158 LEU 3.36 3.19 1 159 ASP 5.40 3.64 1 160 HIS 4.17 3.46 1 161 LEU 5.07 3.63 1 162 LEU 4.87 3.49 1 163 GLU 3.64 3.01 1 164 MET 1.29 1.21 1 165 ILE 5.77 4.82 1 166 LEU 4.01 2.77 1 167 LEU 3.70 3.50 1 168 VAL 5.61 4.41 1 169 SER 5.03 3.91 1 172 GLU 1.75 1.69 1 173 GLU 1.42 1.36 1 174 LEU 1.50 1.07 1 175 LYS 1.02 0.86 1 176 ALA -0.22 -0.02 1 177 ASN -0.76 0.09 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6995_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.63 _LACS_plot.Line_1_terminator_val_y_1 4.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.49 _LACS_plot.Line_2_terminator_val_x_2 7.63 _LACS_plot.Line_2_terminator_val_y_2 -1.80 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 MET -6.63 5.99 0 10 VAL -0.96 0.29 1 11 VAL -2.05 0.27 1 13 ILE 0.52 -0.62 1 16 HIS 0.29 2.11 1 17 VAL 2.30 -1.24 1 18 ASP 2.02 -0.10 1 19 HIS 2.24 1.62 1 22 THR 6.91 -1.43 1 23 THR 7.53 -2.08 1 24 LEU 4.89 -1.39 1 25 LEU 4.07 -0.89 1 26 ASP 3.75 -0.64 1 27 ALA 3.15 -0.63 1 28 ILE 5.55 -0.62 1 29 ARG 3.32 -0.87 1 30 HIS 1.56 0.21 1 31 SER 0.96 0.48 1 32 LYS -1.36 -0.02 1 33 VAL 1.88 -0.85 1 34 THR -1.20 0.81 1 35 GLU -2.29 1.69 1 36 GLN -4.20 4.51 1 37 GLU -0.77 0.67 1 38 ALA -0.10 0.24 1 41 ILE 0.61 -0.14 1 42 THR 0.15 -0.13 1 44 HIS -0.15 1.27 1 45 ILE 0.17 0.07 1 47 ALA -4.24 2.96 1 48 TYR -3.69 2.49 1 49 GLN -3.03 1.97 1 50 VAL -4.57 2.37 1 51 THR 0.56 -0.38 1 52 VAL -2.08 0.83 1 53 ASN 3.79 -2.09 1 54 ASP 2.16 -0.80 1 55 LYS -2.97 1.63 1 57 ILE -3.30 3.10 1 58 THR 0.70 -0.30 1 68 PHE 2.01 -0.48 1 81 ILE -5.69 5.21 1 82 VAL -3.50 1.96 1 83 ILE -1.88 -0.82 1 84 LEU -4.73 1.98 1 85 VAL 0.59 -0.80 1 86 VAL -3.64 1.85 1 87 ALA 0.42 -0.66 1 88 ALA 0.53 0.92 1 89 ASP -0.01 -1.21 1 90 ASP -1.84 2.14 1 92 VAL 4.94 -1.79 1 93 MET -0.35 -0.26 1 95 GLN 5.10 -1.93 1 96 THR 7.62 -2.05 1 97 VAL 5.56 -1.25 1 98 GLU 2.76 0.08 1 99 ALA 3.11 -0.12 1 100 ILE 5.56 -0.66 1 101 ASN 4.48 -1.55 1 102 HIS 3.12 1.11 1 103 ALA 4.21 -1.21 1 104 LYS 3.65 -0.65 1 105 ALA 3.22 -1.11 1 106 ALA -1.23 0.47 1 107 ASN 2.61 -1.63 1 108 VAL -1.65 0.40 1 110 ILE -5.04 3.44 1 111 ILE -3.12 2.26 1 112 VAL 0.76 -0.85 1 113 ALA -4.12 0.86 1 114 ILE 2.00 -2.44 1 115 ASN -6.12 4.10 1 116 LYS 4.84 -4.05 1 117 MET 2.71 -3.39 1 118 ASP -0.45 0.35 1 119 LYS 2.99 -1.71 1 121 GLU 0.99 -1.03 1 122 ALA 1.07 0.38 1 123 ASN -0.54 -0.85 1 125 ASP 4.72 -0.67 1 126 ARG 3.75 -0.83 1 127 VAL 5.51 -1.27 1 128 MET 5.03 0.47 1 129 GLN 5.07 -1.10 1 130 GLU 2.85 0.21 1 131 LEU 4.02 -1.20 1 132 MET 4.93 -0.57 1 133 GLU 2.48 -0.92 1 134 TYR 0.80 -0.72 1 135 ASN 3.66 -1.96 1 136 LEU -0.24 -1.01 1 137 VAL -1.58 0.98 1 139 GLU 2.48 0.08 1 140 GLU 3.01 -0.91 1 141 TRP -3.41 -0.28 1 144 ASP -2.24 1.10 1 145 THR 0.72 0.72 1 146 ILE 1.75 -0.70 1 147 PHE -4.54 2.37 1 149 LYS 0.05 -0.15 1 150 LEU -2.29 2.32 1 151 SER -2.53 0.82 1 152 ALA 3.05 -0.91 1 153 LYS 0.72 1.13 1 154 THR 0.44 -0.14 1 155 LYS 7.64 -4.18 1 156 GLU 1.29 0.08 1 158 LEU 3.36 -0.17 1 159 ASP 5.40 -1.76 1 160 HIS 4.17 -0.71 1 161 LEU 5.07 -1.44 1 162 LEU 4.87 -1.38 1 163 GLU 3.64 -0.63 1 164 MET 1.29 -0.08 1 165 ILE 5.77 -0.95 1 166 LEU 4.01 -1.24 1 167 LEU 3.70 -0.20 1 168 VAL 5.61 -1.20 1 169 SER 5.03 -1.12 1 172 GLU 1.75 -0.06 1 173 GLU 1.42 -0.06 1 174 LEU 1.50 -0.43 1 175 LYS 1.02 -0.16 1 176 ALA -0.22 0.20 1 177 ASN -0.76 0.85 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6995_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.63 _LACS_plot.Line_1_terminator_val_y_1 0.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 7.63 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 GLN -3.03 1.22 0 122 ALA 1.07 -0.95 0 10 VAL -0.96 0.40 1 11 VAL -2.05 0.82 1 13 ILE 0.52 0.66 1 14 MET -6.63 0.50 1 16 HIS 0.29 -0.36 1 17 VAL 2.30 -0.30 1 18 ASP 2.02 0.06 1 19 HIS 2.24 -0.25 1 22 THR 6.91 -0.49 1 23 THR 7.53 -0.53 1 24 LEU 4.89 -0.35 1 25 LEU 4.07 -0.58 1 26 ASP 3.75 -0.43 1 27 ALA 3.15 -0.22 1 28 ILE 5.55 -0.82 1 29 ARG 3.32 -0.65 1 30 HIS 1.56 -0.07 1 31 SER 0.96 0.07 1 32 LYS -1.36 0.34 1 33 VAL 1.88 0.08 1 34 THR -1.20 0.51 1 35 GLU -2.29 0.19 1 36 GLN -4.20 0.14 1 37 GLU -0.77 0.02 1 38 ALA -0.10 0.08 1 41 ILE 0.61 0.12 1 42 THR 0.15 0.03 1 44 HIS -0.15 -0.05 1 45 ILE 0.17 0.01 1 47 ALA -4.24 0.79 1 48 TYR -3.69 0.51 1 50 VAL -4.57 0.70 1 51 THR 0.56 0.72 1 52 VAL -2.08 0.10 1 53 ASN 3.79 -0.47 1 54 ASP 2.16 -0.37 1 55 LYS -2.97 0.36 1 57 ILE -3.30 -0.04 1 58 THR 0.70 0.66 1 68 PHE 2.01 -0.16 1 81 ILE -5.69 0.11 1 82 VAL -3.50 0.83 1 83 ILE -1.88 0.75 1 84 LEU -4.73 0.24 1 85 VAL 0.59 0.73 1 86 VAL -3.64 0.62 1 87 ALA 0.42 -0.36 1 88 ALA 0.53 -0.46 1 89 ASP -0.01 -0.05 1 90 ASP -1.84 0.11 1 92 VAL 4.94 -0.65 1 93 MET -0.35 0.47 1 95 GLN 5.10 0.05 1 96 THR 7.62 -0.61 1 97 VAL 5.56 -1.05 1 98 GLU 2.76 -0.37 1 99 ALA 3.11 -0.30 1 100 ILE 5.56 -0.80 1 101 ASN 4.48 -0.25 1 102 HIS 3.12 -0.30 1 103 ALA 4.21 -0.33 1 104 LYS 3.65 -0.06 1 105 ALA 3.22 -0.11 1 106 ALA -1.23 0.12 1 107 ASN 2.61 -0.33 1 108 VAL -1.65 0.22 1 110 ILE -5.04 0.72 1 111 ILE -3.12 0.15 1 112 VAL 0.76 0.10 1 113 ALA -4.12 0.66 1 114 ILE 2.00 0.48 1 115 ASN -6.12 0.95 1 116 LYS 4.84 0.08 1 117 MET 2.71 -0.17 1 118 ASP -0.45 -0.14 1 119 LYS 2.99 -0.07 1 121 GLU 0.99 -0.03 1 123 ASN -0.54 0.20 1 125 ASP 4.72 -0.11 1 126 ARG 3.75 -0.16 1 127 VAL 5.51 -0.26 1 128 MET 5.03 -0.60 1 129 GLN 5.07 -0.05 1 130 GLU 2.85 -0.11 1 131 LEU 4.02 0.11 1 132 MET 4.93 -0.39 1 133 GLU 2.48 -0.26 1 134 TYR 0.80 -0.02 1 135 ASN 3.66 -0.44 1 136 LEU -0.24 0.47 1 137 VAL -1.58 0.06 1 139 GLU 2.48 -0.21 1 140 GLU 3.01 -0.07 1 141 TRP -3.41 0.58 1 144 ASP -2.24 0.35 1 145 THR 0.72 0.37 1 146 ILE 1.75 -0.03 1 147 PHE -4.54 0.78 1 149 LYS 0.05 0.68 1 150 LEU -2.29 0.65 1 151 SER -2.53 0.68 1 152 ALA 3.05 -0.43 1 153 LYS 0.72 -0.49 1 154 THR 0.44 -0.05 1 155 LYS 7.64 -0.61 1 156 GLU 1.29 -0.10 1 158 LEU 3.36 -0.38 1 159 ASP 5.40 -0.28 1 160 HIS 4.17 -0.15 1 161 LEU 5.07 -0.05 1 162 LEU 4.87 -0.36 1 163 GLU 3.64 -0.42 1 164 MET 1.29 0.11 1 165 ILE 5.77 -0.76 1 166 LEU 4.01 -0.37 1 167 LEU 3.70 -0.12 1 168 VAL 5.61 -0.37 1 169 SER 5.03 -0.37 1 172 GLU 1.75 -0.16 1 173 GLU 1.42 -0.17 1 174 LEU 1.50 -0.03 1 175 LYS 1.02 -0.06 1 176 ALA -0.22 0.01 1 177 ASN -0.76 -0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6995_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.63 _LACS_plot.Line_1_terminator_val_y_1 -2.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.49 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.84 _LACS_plot.Line_2_terminator_val_x_2 7.63 _LACS_plot.Line_2_terminator_val_y_2 2.19 _LACS_plot.Y_axis_chem_shift_offset 0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 136 LEU -0.24 -4.17 0 115 ASN -6.12 0.05 0 155 LYS 7.64 -0.99 0 13 ILE 0.52 -1.58 1 14 MET -6.63 -2.16 1 16 HIS 0.29 -0.07 1 17 VAL 2.30 -2.88 1 18 ASP 2.02 0.39 1 19 HIS 2.24 0.44 1 22 THR 6.91 2.00 1 23 THR 7.53 1.88 1 24 LEU 4.89 -0.32 1 25 LEU 4.07 1.62 1 26 ASP 3.75 1.54 1 27 ALA 3.15 2.80 1 29 ARG 3.32 0.89 1 30 HIS 1.56 1.76 1 31 SER 0.96 -0.25 1 32 LYS -1.36 -0.44 1 33 VAL 1.88 -0.19 1 34 THR -1.20 -0.18 1 35 GLU -2.29 -0.46 1 36 GLN -4.20 -0.13 1 37 GLU -0.77 -0.36 1 38 ALA -0.10 0.34 1 41 ILE 0.61 0.16 1 42 THR 0.15 -0.38 1 44 HIS -0.15 0.74 1 45 ILE 0.17 -0.31 1 49 GLN -3.03 -0.71 1 50 VAL -4.57 -1.83 1 51 THR 0.56 -0.63 1 52 VAL -2.08 -1.50 1 53 ASN 3.79 -1.17 1 54 ASP 2.16 -1.54 1 81 ILE -5.69 -2.30 1 82 VAL -3.50 -1.08 1 83 ILE -1.88 -2.39 1 84 LEU -4.73 -3.29 1 85 VAL 0.59 -0.36 1 86 VAL -3.64 -1.85 1 87 ALA 0.42 0.45 1 88 ALA 0.53 -1.09 1 89 ASP -0.01 -1.14 1 90 ASP -1.84 -0.32 1 92 VAL 4.94 -0.59 1 95 GLN 5.10 3.61 1 96 THR 7.62 0.92 1 97 VAL 5.56 1.16 1 98 GLU 2.76 1.80 1 99 ALA 3.11 0.97 1 100 ILE 5.56 1.11 1 101 ASN 4.48 3.76 1 102 HIS 3.12 3.71 1 103 ALA 4.21 2.08 1 104 LYS 3.65 4.24 1 105 ALA 3.22 0.86 1 106 ALA -1.23 -1.63 1 107 ASN 2.61 -1.26 1 110 ILE -5.04 -0.30 1 111 ILE -3.12 -1.25 1 112 VAL 0.76 -2.79 1 113 ALA -4.12 -2.97 1 114 ILE 2.00 -2.96 1 116 LYS 4.84 0.29 1 117 MET 2.71 -0.65 1 118 ASP -0.45 -0.14 1 121 GLU 0.99 -0.49 1 122 ALA 1.07 -0.43 1 125 ASP 4.72 1.92 1 126 ARG 3.75 2.07 1 127 VAL 5.51 1.41 1 128 MET 5.03 1.23 1 129 GLN 5.07 3.41 1 130 GLU 2.85 3.83 1 131 LEU 4.02 1.92 1 132 MET 4.93 3.48 1 133 GLU 2.48 0.09 1 134 TYR 0.80 -1.28 1 135 ASN 3.66 -1.19 1 139 GLU 2.48 3.54 1 140 GLU 3.01 0.27 1 141 TRP -3.41 -0.35 1 144 ASP -2.24 0.33 1 145 THR 0.72 -1.32 1 146 ILE 1.75 -1.98 1 147 PHE -4.54 0.58 1 149 LYS 0.05 -0.72 1 150 LEU -2.29 -2.86 1 151 SER -2.53 0.65 1 152 ALA 3.05 -1.39 1 153 LYS 0.72 0.78 1 154 THR 0.44 1.65 1 156 GLU 1.29 0.41 1 158 LEU 3.36 0.16 1 159 ASP 5.40 2.41 1 160 HIS 4.17 2.26 1 161 LEU 5.07 0.54 1 162 LEU 4.87 0.78 1 163 GLU 3.64 3.27 1 164 MET 1.29 1.81 1 166 LEU 4.01 1.76 1 167 LEU 3.70 1.80 1 168 VAL 5.61 2.10 1 169 SER 5.03 1.33 1 172 GLU 1.75 1.81 1 173 GLU 1.42 1.09 1 174 LEU 1.50 0.62 1 175 LYS 1.02 -0.05 1 176 ALA -0.22 -0.84 1 stop_ save_