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 bmr6658_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.07 _LACS_plot.Line_1_terminator_val_y_1 -3.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 5.98 _LACS_plot.Line_2_terminator_val_y_2 4.69 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 HIS 0.82 3.90 0 154 LYS 5.49 1.10 0 109 TYR -7.07 -0.76 0 10 VAL 3.26 2.30 1 12 GLU 1.36 1.07 1 14 THR -5.06 -2.63 1 15 LEU -0.08 0.14 1 16 MET 1.51 2.49 1 19 GLU -0.34 0.09 1 20 PHE -0.01 0.44 1 22 ASP 2.85 2.42 1 23 GLU 2.09 1.49 1 24 ASP -1.00 0.87 1 25 GLU -1.04 -0.29 1 26 ARG -5.22 -3.26 1 27 LEU -0.18 0.01 1 28 ILE -1.39 -0.57 1 29 THR -2.10 -0.75 1 30 ARG -1.56 -0.49 1 31 LEU -3.84 -1.43 1 32 GLU -0.64 -0.12 1 33 ASN -0.52 -0.99 1 34 THR 2.15 1.30 1 35 GLN 0.57 -0.01 1 36 PHE 0.54 0.69 1 37 ASP -0.22 -0.12 1 38 ALA 0.61 0.49 1 39 ALA 0.48 0.33 1 40 ASN 0.04 0.33 1 42 ILE -0.09 0.06 1 43 ASP -0.24 0.02 1 44 ASP -0.04 0.25 1 45 GLU 0.75 0.61 1 57 THR -0.17 -0.25 1 59 GLU -0.75 -0.51 1 60 ILE -0.51 -0.29 1 62 MET -3.57 -2.25 1 64 ALA 2.19 0.86 1 67 ASP 3.32 2.04 1 69 HIS 0.96 3.90 1 70 ILE 0.95 0.36 1 71 LEU -0.31 -1.44 1 72 ASP -1.73 -0.23 1 73 ARG 3.77 2.95 1 74 PHE -3.46 -1.53 1 75 ILE -4.69 -1.11 1 76 LEU -1.91 -1.51 1 77 LYS -3.58 -1.73 1 78 ALA -4.11 -0.42 1 79 LEU 5.76 1.59 1 80 ASP 3.32 1.97 1 81 ARG -3.19 -2.09 1 82 HIS -2.34 1.11 1 83 TRP -4.71 -1.33 1 85 SER 5.09 3.58 1 86 LYS 2.53 1.33 1 88 LEU 2.22 -1.06 1 89 LYS -6.49 -3.27 1 91 SER 3.59 3.82 1 92 ASP 0.46 1.85 1 94 HIS 3.55 1.91 1 95 VAL 0.90 1.11 1 97 LEU -1.88 -0.94 1 98 ALA -3.66 -0.95 1 99 GLU 3.29 4.05 1 100 ARG -3.67 -1.22 1 102 PHE -3.95 -1.20 1 103 SER -3.97 -1.55 1 104 ARG -2.03 -0.28 1 106 GLU 0.71 0.24 1 107 SER -1.84 0.29 1 108 VAL -3.65 -2.05 1 111 LYS 4.71 4.48 1 112 ASP 4.04 4.05 1 113 ASP 4.67 4.49 1 114 PHE 4.80 4.41 1 115 PHE 5.69 4.67 1 116 LYS 3.83 3.49 1 117 ARG 2.50 2.36 1 118 PHE 0.10 0.05 1 120 THR 3.36 2.82 1 121 LYS -1.69 -0.97 1 123 ALA 3.04 1.87 1 124 ALA -0.67 1.39 1 126 GLN 5.99 2.21 1 127 LEU -2.11 -0.82 1 129 ILE -1.84 -0.10 1 132 THR 0.40 -0.60 1 133 GLN -1.35 -0.37 1 134 VAL 0.41 -0.21 1 135 VAL -6.44 -2.96 1 136 ARG -4.78 -2.26 1 137 ARG -4.32 -1.15 1 138 ALA -3.04 -0.23 1 139 GLN 5.10 2.29 1 140 ASP 1.18 0.68 1 141 PHE -2.38 -0.63 1 142 VAL -3.77 -1.92 1 143 TYR -6.94 -2.41 1 144 HIS 2.16 4.31 1 145 LEU 5.87 4.69 1 146 HIS 2.13 2.58 1 148 PHE 2.84 -0.39 1 149 ALA -5.74 -2.75 1 151 VAL 3.20 2.00 1 152 VAL 3.98 3.39 1 155 ARG 0.29 1.25 1 156 GLN 1.47 0.94 1 157 LEU 0.55 0.17 1 158 ALA -5.80 -2.72 1 159 THR 3.75 3.02 1 161 ASP 0.61 1.18 1 162 GLU -3.94 -1.49 1 163 PHE -4.49 -1.80 1 164 TYR -4.31 -1.34 1 165 LEU -4.16 -1.64 1 166 MET -2.07 -1.30 1 167 GLU 2.92 2.37 1 168 ASP 0.51 -0.60 1 169 SER 4.23 2.70 1 170 ARG 1.36 1.41 1 171 LEU -3.16 -1.51 1 172 VAL -5.58 -2.61 1 174 LYS 4.01 4.25 1 175 ALA 3.00 2.55 1 176 ASP 1.02 1.94 1 177 TYR 2.84 3.62 1 178 GLU 2.01 1.57 1 179 THR 2.20 1.64 1 180 ALA 0.24 0.32 1 181 LYS 0.66 0.07 1 182 GLN 0.92 1.75 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6658_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.07 _LACS_plot.Line_1_terminator_val_y_1 4.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.64 _LACS_plot.Line_2_terminator_val_x_2 5.98 _LACS_plot.Line_2_terminator_val_y_2 -1.29 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 HIS 0.82 3.08 0 154 LYS 5.49 -4.39 0 109 TYR -7.07 6.31 0 10 VAL 3.26 -0.96 1 12 GLU 1.36 -0.29 1 14 THR -5.06 2.43 1 15 LEU -0.08 0.22 1 16 MET 1.51 0.98 1 19 GLU -0.34 0.43 1 20 PHE -0.01 0.45 1 22 ASP 2.85 -0.43 1 23 GLU 2.09 -0.60 1 24 ASP -1.00 1.87 1 25 GLU -1.04 0.75 1 26 ARG -5.22 1.96 1 27 LEU -0.18 0.19 1 28 ILE -1.39 0.82 1 29 THR -2.10 1.35 1 30 ARG -1.56 1.07 1 31 LEU -3.84 2.41 1 32 GLU -0.64 0.52 1 33 ASN -0.52 -0.47 1 34 THR 2.15 -0.85 1 35 GLN 0.57 -0.58 1 36 PHE 0.54 0.15 1 37 ASP -0.22 0.10 1 38 ALA 0.61 -0.12 1 39 ALA 0.48 -0.15 1 40 ASN 0.04 0.29 1 42 ILE -0.09 0.15 1 43 ASP -0.24 0.26 1 44 ASP -0.04 0.29 1 45 GLU 0.75 -0.14 1 57 THR -0.17 -0.08 1 59 GLU -0.75 0.24 1 60 ILE -0.51 0.22 1 62 MET -3.57 1.32 1 64 ALA 2.19 -1.33 1 67 ASP 3.32 -1.28 1 69 HIS 0.96 2.94 1 70 ILE 0.95 -0.59 1 71 LEU -0.31 -1.13 1 72 ASP -1.73 1.50 1 73 ARG 3.77 -0.82 1 74 PHE -3.46 1.93 1 75 ILE -4.69 3.58 1 76 LEU -1.91 0.40 1 77 LYS -3.58 1.85 1 78 ALA -4.11 3.69 1 79 LEU 5.76 -4.17 1 80 ASP 3.32 -1.35 1 81 ARG -3.19 1.10 1 82 HIS -2.34 3.45 1 83 TRP -4.71 3.38 1 85 SER 5.09 -1.51 1 86 LYS 2.53 -1.20 1 88 LEU 2.22 -3.28 1 89 LYS -6.49 3.22 1 91 SER 3.59 0.23 1 92 ASP 0.46 1.39 1 94 HIS 3.55 -1.64 1 95 VAL 0.90 0.21 1 97 LEU -1.88 0.94 1 98 ALA -3.66 2.71 1 99 GLU 3.29 0.76 1 100 ARG -3.67 2.45 1 102 PHE -3.95 2.75 1 103 SER -3.97 2.42 1 104 ARG -2.03 1.75 1 106 GLU 0.71 -0.47 1 107 SER -1.84 2.13 1 108 VAL -3.65 1.60 1 111 LYS 4.71 -0.23 1 112 ASP 4.04 0.01 1 113 ASP 4.67 -0.18 1 114 PHE 4.80 -0.39 1 115 PHE 5.69 -1.02 1 116 LYS 3.83 -0.34 1 117 ARG 2.50 -0.14 1 118 PHE 0.10 -0.05 1 120 THR 3.36 -0.54 1 121 LYS -1.69 0.72 1 123 ALA 3.04 -1.17 1 124 ALA -0.67 2.06 1 126 GLN 5.99 -3.78 1 127 LEU -2.11 1.29 1 129 ILE -1.84 1.74 1 132 THR 0.40 -1.00 1 133 GLN -1.35 0.98 1 134 VAL 0.41 -0.62 1 135 VAL -6.44 3.48 1 136 ARG -4.78 2.52 1 137 ARG -4.32 3.17 1 138 ALA -3.04 2.81 1 139 GLN 5.10 -2.81 1 140 ASP 1.18 -0.50 1 141 PHE -2.38 1.75 1 142 VAL -3.77 1.85 1 143 TYR -6.94 4.53 1 144 HIS 2.16 2.15 1 145 LEU 5.87 -1.18 1 146 HIS 2.13 0.45 1 148 PHE 2.84 -3.23 1 149 ALA -5.74 2.99 1 151 VAL 3.20 -1.20 1 152 VAL 3.98 -0.59 1 155 ARG 0.29 0.96 1 156 GLN 1.47 -0.53 1 157 LEU 0.55 -0.38 1 158 ALA -5.80 3.08 1 159 THR 3.75 -0.73 1 161 ASP 0.61 0.57 1 162 GLU -3.94 2.45 1 163 PHE -4.49 2.69 1 164 TYR -4.31 2.97 1 165 LEU -4.16 2.52 1 166 MET -2.07 0.77 1 167 GLU 2.92 -0.55 1 168 ASP 0.51 -1.11 1 169 SER 4.23 -1.53 1 170 ARG 1.36 0.05 1 171 LEU -3.16 1.65 1 172 VAL -5.58 2.97 1 174 LYS 4.01 0.24 1 175 ALA 3.00 -0.45 1 176 ASP 1.02 0.92 1 177 TYR 2.84 0.78 1 178 GLU 2.01 -0.44 1 179 THR 2.20 -0.56 1 180 ALA 0.24 0.08 1 181 LYS 0.66 -0.59 1 182 GLN 0.92 0.83 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6658_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.07 _LACS_plot.Line_1_terminator_val_y_1 0.83 _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 0.23 _LACS_plot.Line_2_terminator_val_x_2 5.98 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _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 109 TYR -7.07 1.53 0 143 TYR -6.94 1.56 0 25 GLU -1.04 -0.81 0 10 VAL 3.26 -0.25 1 12 GLU 1.36 -0.26 1 14 THR -5.06 0.34 1 15 LEU -0.08 0.08 1 16 MET 1.51 -0.36 1 19 GLU -0.34 -0.01 1 20 PHE -0.01 0.13 1 22 ASP 2.85 -0.16 1 23 GLU 2.09 -0.12 1 24 ASP -1.00 0.16 1 26 ARG -5.22 0.21 1 27 LEU -0.18 0.07 1 28 ILE -1.39 0.30 1 29 THR -2.10 0.28 1 30 ARG -1.56 0.72 1 31 LEU -3.84 0.54 1 32 GLU -0.64 0.09 1 33 ASN -0.52 -0.08 1 34 THR 2.15 -0.17 1 35 GLN 0.57 -0.05 1 36 PHE 0.54 -0.25 1 37 ASP -0.22 -0.19 1 38 ALA 0.61 -0.16 1 39 ALA 0.48 -0.08 1 40 ASN 0.04 -0.06 1 42 ILE -0.09 0.03 1 43 ASP -0.24 -0.01 1 44 ASP -0.04 -0.04 1 45 GLU 0.75 -0.10 1 57 THR -0.17 -0.01 1 59 GLU -0.75 -0.12 1 60 ILE -0.51 -0.20 1 62 MET -3.57 0.01 1 64 ALA 2.19 -0.39 1 67 ASP 3.32 -0.23 1 69 HIS 0.96 0.24 1 70 ILE 0.95 -0.28 1 71 LEU -0.31 0.07 1 72 ASP -1.73 -0.04 1 73 ARG 3.77 -0.68 1 74 PHE -3.46 0.76 1 75 ILE -4.69 0.19 1 76 LEU -1.91 1.10 1 77 LYS -3.58 1.16 1 78 ALA -4.11 0.32 1 79 LEU 5.76 -0.41 1 80 ASP 3.32 -0.59 1 81 ARG -3.19 0.11 1 82 HIS -2.34 0.86 1 83 TRP -4.71 1.13 1 84 HIS 0.82 0.23 1 85 SER 5.09 -0.15 1 86 LYS 2.53 -0.05 1 88 LEU 2.22 -0.36 1 89 LYS -6.49 0.67 1 91 SER 3.59 -0.31 1 92 ASP 0.46 0.32 1 94 HIS 3.55 -0.24 1 95 VAL 0.90 0.12 1 97 LEU -1.88 0.07 1 98 ALA -3.66 0.10 1 99 GLU 3.29 -0.20 1 100 ARG -3.67 0.75 1 102 PHE -3.95 0.29 1 103 SER -3.97 0.89 1 104 ARG -2.03 0.12 1 106 GLU 0.71 0.01 1 107 SER -1.84 0.30 1 108 VAL -3.65 0.76 1 111 LYS 4.71 -0.80 1 112 ASP 4.04 -0.21 1 113 ASP 4.67 0.09 1 114 PHE 4.80 -1.04 1 115 PHE 5.69 -0.80 1 116 LYS 3.83 -0.33 1 117 ARG 2.50 -0.60 1 118 PHE 0.10 0.01 1 120 THR 3.36 -0.95 1 121 LYS -1.69 -0.20 1 123 ALA 3.04 -0.40 1 124 ALA -0.67 0.37 1 126 GLN 5.99 -0.37 1 127 LEU -2.11 0.33 1 129 ILE -1.84 -0.08 1 132 THR 0.40 -0.26 1 133 GLN -1.35 0.06 1 134 VAL 0.41 0.39 1 135 VAL -6.44 0.76 1 136 ARG -4.78 0.13 1 137 ARG -4.32 0.98 1 138 ALA -3.04 0.47 1 139 GLN 5.10 -0.59 1 140 ASP 1.18 0.07 1 141 PHE -2.38 0.11 1 142 VAL -3.77 0.77 1 144 HIS 2.16 -0.11 1 145 LEU 5.87 -0.54 1 146 HIS 2.13 -0.25 1 148 PHE 2.84 -0.83 1 149 ALA -5.74 0.48 1 151 VAL 3.20 0.01 1 152 VAL 3.98 -0.14 1 154 LYS 5.49 -0.14 1 155 ARG 0.29 -0.12 1 156 GLN 1.47 -0.26 1 157 LEU 0.55 -0.01 1 158 ALA -5.80 0.30 1 159 THR 3.75 -0.94 1 161 ASP 0.61 0.08 1 162 GLU -3.94 1.13 1 163 PHE -4.49 0.32 1 164 TYR -4.31 -0.15 1 165 LEU -4.16 0.61 1 166 MET -2.07 0.28 1 167 GLU 2.92 -0.19 1 168 ASP 0.51 -0.11 1 169 SER 4.23 -0.83 1 170 ARG 1.36 -0.08 1 171 LEU -3.16 0.60 1 172 VAL -5.58 1.39 1 174 LYS 4.01 -0.21 1 175 ALA 3.00 -0.12 1 176 ASP 1.02 0.23 1 177 TYR 2.84 -0.52 1 178 GLU 2.01 -0.46 1 179 THR 2.20 -0.23 1 180 ALA 0.24 -0.09 1 181 LYS 0.66 -0.17 1 182 GLN 0.92 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6658_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.07 _LACS_plot.Line_1_terminator_val_y_1 -1.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.86 _LACS_plot.Line_2_terminator_val_x_2 5.76 _LACS_plot.Line_2_terminator_val_y_2 0.91 _LACS_plot.Y_axis_chem_shift_offset 0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 HIS 0.96 5.13 0 84 HIS 0.82 5.14 0 88 LEU 2.22 -5.26 0 163 PHE -4.49 -6.41 0 10 VAL 3.26 1.62 1 12 GLU 1.36 -0.33 1 14 THR -5.06 -1.60 1 15 LEU -0.08 1.41 1 16 MET 1.51 1.17 1 19 GLU -0.34 -0.54 1 20 PHE -0.01 -0.08 1 22 ASP 2.85 2.06 1 23 GLU 2.09 0.30 1 24 ASP -1.00 -1.64 1 25 GLU -1.04 -0.47 1 26 ARG -5.22 -1.32 1 27 LEU -0.18 -0.64 1 28 ILE -1.39 -0.75 1 29 THR -2.10 -2.24 1 30 ARG -1.56 -1.36 1 31 LEU -3.84 -1.75 1 32 GLU -0.64 -0.44 1 33 ASN -0.52 1.12 1 34 THR 2.15 3.17 1 35 GLN 0.57 -0.53 1 37 ASP -0.22 -0.48 1 38 ALA 0.61 0.10 1 39 ALA 0.48 -0.12 1 40 ASN 0.04 0.34 1 42 ILE -0.09 -0.55 1 43 ASP -0.24 -0.41 1 44 ASP -0.04 0.29 1 45 GLU 0.75 0.81 1 59 GLU -0.75 -1.00 1 62 MET -3.57 -1.71 1 64 ALA 2.19 -0.52 1 70 ILE 0.95 -2.54 1 71 LEU -0.31 -1.27 1 72 ASP -1.73 -1.77 1 73 ARG 3.77 -1.12 1 74 PHE -3.46 -1.70 1 75 ILE -4.69 -2.03 1 76 LEU -1.91 -1.77 1 77 LYS -3.58 -0.98 1 78 ALA -4.11 -0.26 1 79 LEU 5.76 -1.58 1 80 ASP 3.32 -1.95 1 83 TRP -4.71 2.79 1 86 LYS 2.53 0.17 1 89 LYS -6.49 -2.44 1 91 SER 3.59 -0.89 1 92 ASP 0.46 0.01 1 94 HIS 3.55 -0.37 1 95 VAL 0.90 2.10 1 97 LEU -1.88 -2.91 1 98 ALA -3.66 -0.91 1 99 GLU 3.29 -0.70 1 100 ARG -3.67 -2.37 1 102 PHE -3.95 -0.58 1 103 SER -3.97 -0.81 1 104 ARG -2.03 0.10 1 107 SER -1.84 -2.13 1 108 VAL -3.65 -1.96 1 109 TYR -7.07 0.37 1 111 LYS 4.71 0.78 1 112 ASP 4.04 3.06 1 113 ASP 4.67 0.73 1 114 PHE 4.80 1.37 1 115 PHE 5.69 2.42 1 116 LYS 3.83 1.87 1 117 ARG 2.50 2.15 1 118 PHE 0.10 -1.94 1 120 THR 3.36 -0.90 1 121 LYS -1.69 -0.84 1 123 ALA 3.04 -0.57 1 124 ALA -0.67 0.36 1 127 LEU -2.11 -0.09 1 129 ILE -1.84 1.21 1 132 THR 0.40 -0.97 1 133 GLN -1.35 -1.26 1 134 VAL 0.41 -0.96 1 135 VAL -6.44 -0.48 1 136 ARG -4.78 -1.49 1 137 ARG -4.32 -0.68 1 138 ALA -3.04 -2.42 1 141 PHE -2.38 -0.96 1 142 VAL -3.77 -3.41 1 143 TYR -6.94 1.62 1 144 HIS 2.16 4.03 1 146 HIS 2.13 1.99 1 148 PHE 2.84 -4.34 1 149 ALA -5.74 -3.18 1 151 VAL 3.20 -0.30 1 152 VAL 3.98 0.30 1 154 LYS 5.49 -1.27 1 155 ARG 0.29 -0.26 1 156 GLN 1.47 -0.11 1 157 LEU 0.55 -2.75 1 158 ALA -5.80 -1.23 1 159 THR 3.75 0.65 1 162 GLU -3.94 0.40 1 164 TYR -4.31 -1.85 1 165 LEU -4.16 -0.88 1 166 MET -2.07 1.62 1 167 GLU 2.92 -0.29 1 168 ASP 0.51 0.65 1 169 SER 4.23 -0.46 1 170 ARG 1.36 -2.14 1 171 LEU -3.16 -1.58 1 172 VAL -5.58 -0.47 1 174 LYS 4.01 0.93 1 175 ALA 3.00 1.85 1 176 ASP 1.02 0.24 1 177 TYR 2.84 0.53 1 178 GLU 2.01 1.28 1 179 THR 2.20 0.12 1 180 ALA 0.24 -0.30 1 181 LYS 0.66 -1.00 1 182 GLN 0.92 4.59 1 stop_ save_