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 bmr6014_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.46 _LACS_plot.Line_1_terminator_val_y_1 -3.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.67 _LACS_plot.Line_2_terminator_val_x_2 7.34 _LACS_plot.Line_2_terminator_val_y_2 5.93 _LACS_plot.Y_axis_chem_shift_offset -0.78 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 170 SER -2.13 5.36 0 10 TRP -1.16 0.19 1 11 THR 0.93 0.47 1 12 SER -2.40 -1.02 1 13 LYS 3.05 4.34 1 14 VAL -2.87 -0.99 1 15 VAL -3.12 -1.25 1 16 THR -5.34 -2.43 1 17 TYR -6.32 -2.17 1 18 ARG -5.32 -0.55 1 19 ILE 1.59 0.63 1 20 VAL 1.05 1.91 1 21 SER -2.92 -1.03 1 22 TYR -1.45 1.24 1 23 THR -1.80 -4.06 1 24 ARG 2.13 1.83 1 25 ASP 0.86 2.82 1 26 LEU -8.59 -3.48 1 28 HIS 3.36 3.57 1 29 ILE 2.96 2.64 1 30 THR 6.47 5.17 1 31 VAL 7.14 6.03 1 32 ASP 4.70 4.71 1 33 ARG 3.88 4.08 1 34 LEU 3.43 3.37 1 35 VAL 7.35 6.15 1 37 LYS 3.76 4.15 1 38 ALA 1.48 3.19 1 39 LEU 3.97 3.16 1 40 ASN 2.74 3.22 1 41 MET 5.18 4.57 1 42 TRP 0.63 2.45 1 44 LYS 2.10 1.26 1 45 GLU -2.42 -0.70 1 46 ILE -3.51 0.18 1 48 LEU -3.98 -0.05 1 49 HIS -4.85 -0.02 1 50 PHE -3.59 -0.89 1 51 ARG -4.81 -0.96 1 52 LYS -0.71 0.38 1 53 VAL -3.78 -1.63 1 54 VAL 0.24 0.33 1 55 TRP -4.17 -1.04 1 57 THR 1.67 1.69 1 58 ALA -7.17 -2.58 1 59 ASP 4.30 4.31 1 60 ILE 0.13 0.81 1 61 MET -1.82 -1.07 1 62 ILE -3.39 -0.54 1 64 PHE -3.90 -1.28 1 65 ALA -5.27 -0.79 1 66 ARG -4.58 -1.25 1 68 ALA 1.30 0.90 1 69 HIS 0.81 0.70 1 71 ASP -3.40 -2.36 1 72 SER 1.82 0.92 1 73 TYR -2.38 -1.13 1 75 PHE 1.31 0.92 1 76 ASP -1.24 -0.08 1 80 ASN 3.75 3.26 1 81 THR 4.21 4.13 1 82 LEU -1.34 0.94 1 83 ALA -3.22 0.03 1 84 HIS -1.87 0.54 1 85 ALA -6.39 -0.97 1 86 PHE -3.52 -0.67 1 87 ALA 1.38 0.53 1 90 THR 0.07 0.87 1 92 LEU 1.42 1.20 1 95 ASP 2.64 2.21 1 96 ALA -4.10 -0.70 1 97 HIS -9.46 -3.51 1 98 PHE -3.33 -0.59 1 99 ASP 0.82 0.96 1 100 GLU -1.60 0.08 1 101 ASP 3.22 2.58 1 103 ARG -0.85 -1.67 1 104 TRP -1.69 -0.02 1 105 THR -4.16 -2.07 1 106 ASP -1.79 -0.45 1 108 SER -0.02 0.78 1 109 SER 0.72 2.28 1 110 LEU 0.40 0.52 1 112 ILE 0.46 -2.43 1 113 ASN 1.21 2.11 1 114 PHE 5.73 1.95 1 115 LEU 5.38 4.33 1 116 TYR 2.70 2.41 1 117 ALA 2.70 2.90 1 118 ALA 5.32 3.39 1 120 HIS 4.63 4.72 1 121 GLU 3.36 2.80 1 122 LEU 4.21 1.90 1 124 HIS 4.04 3.84 1 126 LEU -0.74 0.33 1 128 MET -0.12 -0.42 1 130 HIS -0.14 0.68 1 131 SER -4.43 -2.42 1 132 SER 0.36 0.83 1 133 ASP -2.25 -0.60 1 135 ASN -0.21 0.77 1 136 ALA -1.25 0.08 1 137 VAL 1.11 1.46 1 138 MET 3.10 -1.60 1 139 TYR 0.24 1.70 1 141 THR -1.35 0.41 1 142 TYR 0.96 1.61 1 144 ASN -0.94 1.71 1 146 ASP 2.11 4.08 1 148 GLN 1.59 2.16 1 149 ASN -0.82 0.01 1 150 PHE -0.17 0.51 1 151 LYS -3.87 -1.38 1 152 LEU 1.13 0.91 1 154 GLN 4.03 2.83 1 155 ASP 1.20 4.40 1 156 ASP 0.56 3.78 1 157 ILE 4.38 4.92 1 158 LYS 3.90 3.60 1 160 ILE 1.39 0.89 1 161 GLN -4.51 -5.73 1 162 LYS 3.91 3.58 1 163 LEU 0.47 2.73 1 164 TYR -1.00 2.28 1 166 LYS -2.49 -0.41 1 167 ARG 1.52 1.87 1 169 ASN 0.03 0.43 1 171 ARG 1.41 0.89 1 172 LYS 2.64 1.65 1 173 LYS 1.02 2.25 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6014_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.46 _LACS_plot.Line_1_terminator_val_y_1 5.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.33 _LACS_plot.Line_2_terminator_val_x_2 7.34 _LACS_plot.Line_2_terminator_val_y_2 -1.41 _LACS_plot.Y_axis_chem_shift_offset -0.78 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 170 SER -2.13 7.49 0 10 TRP -1.16 1.35 1 11 THR 0.93 -0.46 1 12 SER -2.40 1.38 1 13 LYS 3.05 1.29 1 14 VAL -2.87 1.88 1 15 VAL -3.12 1.87 1 16 THR -5.34 2.91 1 17 TYR -6.32 4.15 1 18 ARG -5.32 4.77 1 19 ILE 1.59 -0.96 1 20 VAL 1.05 0.86 1 21 SER -2.92 1.89 1 22 TYR -1.45 2.69 1 23 THR -1.80 -2.26 1 24 ARG 2.13 -0.30 1 25 ASP 0.86 1.96 1 26 LEU -8.59 5.11 1 28 HIS 3.36 0.21 1 29 ILE 2.96 -0.32 1 30 THR 6.47 -1.30 1 31 VAL 7.14 -1.11 1 32 ASP 4.70 0.01 1 33 ARG 3.88 0.20 1 34 LEU 3.43 -0.06 1 35 VAL 7.35 -1.20 1 37 LYS 3.76 0.39 1 38 ALA 1.48 1.71 1 39 LEU 3.97 -0.81 1 40 ASN 2.74 0.48 1 41 MET 5.18 -0.61 1 42 TRP 0.63 1.82 1 44 LYS 2.10 -0.84 1 45 GLU -2.42 1.72 1 46 ILE -3.51 3.69 1 48 LEU -3.98 3.93 1 49 HIS -4.85 4.83 1 50 PHE -3.59 2.70 1 51 ARG -4.81 3.85 1 52 LYS -0.71 1.09 1 53 VAL -3.78 2.15 1 54 VAL 0.24 0.09 1 55 TRP -4.17 3.13 1 57 THR 1.67 0.02 1 58 ALA -7.17 4.59 1 59 ASP 4.30 0.01 1 60 ILE 0.13 0.68 1 61 MET -1.82 0.75 1 62 ILE -3.39 2.85 1 64 PHE -3.90 2.62 1 65 ALA -5.27 4.48 1 66 ARG -4.58 3.33 1 68 ALA 1.30 -0.40 1 69 HIS 0.81 -0.11 1 71 ASP -3.40 1.04 1 72 SER 1.82 -0.90 1 73 TYR -2.38 1.25 1 75 PHE 1.31 -0.39 1 76 ASP -1.24 1.16 1 80 ASN 3.75 -0.49 1 81 THR 4.21 -0.08 1 82 LEU -1.34 2.28 1 83 ALA -3.22 3.25 1 84 HIS -1.87 2.41 1 85 ALA -6.39 5.42 1 86 PHE -3.52 2.85 1 87 ALA 1.38 -0.85 1 90 THR 0.07 0.80 1 92 LEU 1.42 -0.22 1 95 ASP 2.64 -0.43 1 96 ALA -4.10 3.40 1 97 HIS -9.46 5.95 1 98 PHE -3.33 2.74 1 99 ASP 0.82 0.14 1 100 GLU -1.60 1.68 1 101 ASP 3.22 -0.64 1 103 ARG -0.85 -0.82 1 104 TRP -1.69 1.67 1 105 THR -4.16 2.09 1 106 ASP -1.79 1.34 1 108 SER -0.02 0.80 1 109 SER 0.72 1.56 1 110 LEU 0.40 0.12 1 112 ILE 0.46 -2.89 1 113 ASN 1.21 0.90 1 114 PHE 5.73 -3.78 1 115 LEU 5.38 -1.05 1 116 TYR 2.70 -0.29 1 117 ALA 2.70 0.20 1 118 ALA 5.32 -1.93 1 120 HIS 4.63 0.09 1 121 GLU 3.36 -0.56 1 122 LEU 4.21 -2.31 1 124 HIS 4.04 -0.20 1 126 LEU -0.74 1.07 1 128 MET -0.12 -0.30 1 130 HIS -0.14 0.82 1 131 SER -4.43 2.01 1 132 SER 0.36 0.47 1 133 ASP -2.25 1.65 1 135 ASN -0.21 0.98 1 136 ALA -1.25 1.33 1 137 VAL 1.11 0.35 1 138 MET 3.10 -4.70 1 139 TYR 0.24 1.46 1 141 THR -1.35 1.76 1 142 TYR 0.96 0.65 1 144 ASN -0.94 2.65 1 146 ASP 2.11 1.97 1 148 GLN 1.59 0.57 1 149 ASN -0.82 0.83 1 150 PHE -0.17 0.68 1 151 LYS -3.87 2.49 1 152 LEU 1.13 -0.22 1 154 GLN 4.03 -1.20 1 155 ASP 1.20 3.20 1 156 ASP 0.56 3.22 1 157 ILE 4.38 0.54 1 158 LYS 3.90 -0.30 1 160 ILE 1.39 -0.50 1 161 GLN -4.51 -1.22 1 162 LYS 3.91 -0.33 1 163 LEU 0.47 2.26 1 164 TYR -1.00 3.28 1 166 LYS -2.49 2.08 1 167 ARG 1.52 0.35 1 169 ASN 0.03 0.40 1 171 ARG 1.41 -0.52 1 172 LYS 2.64 -0.99 1 173 LYS 1.02 1.23 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6014_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.46 _LACS_plot.Line_1_terminator_val_y_1 0.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 7.34 _LACS_plot.Line_2_terminator_val_y_2 -0.46 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 62 ILE -3.39 1.52 0 10 TRP -1.16 -0.10 1 11 THR 0.93 0.11 1 12 SER -2.40 0.38 1 13 LYS 3.05 0.00 1 14 VAL -2.87 0.69 1 15 VAL -3.12 0.17 1 16 THR -5.34 1.42 1 17 TYR -6.32 1.26 1 18 ARG -5.32 -0.04 1 19 ILE 1.59 0.59 1 20 VAL 1.05 -0.40 1 21 SER -2.92 0.41 1 22 TYR -1.45 -0.25 1 23 THR -1.80 0.22 1 24 ARG 2.13 -0.22 1 25 ASP 0.86 -0.19 1 26 LEU -8.59 0.72 1 28 HIS 3.36 -0.54 1 29 ILE 2.96 0.10 1 30 THR 6.47 -0.20 1 31 VAL 7.14 -0.61 1 32 ASP 4.70 -0.21 1 33 ARG 3.88 -0.08 1 34 LEU 3.43 0.00 1 35 VAL 7.35 -0.61 1 37 LYS 3.76 -0.13 1 38 ALA 1.48 -0.06 1 39 LEU 3.97 -0.44 1 40 ASN 2.74 -0.24 1 41 MET 5.18 -0.36 1 42 TRP 0.63 -0.10 1 44 LYS 2.10 -0.05 1 45 GLU -2.42 0.59 1 46 ILE -3.51 1.02 1 48 LEU -3.98 0.11 1 49 HIS -4.85 -0.02 1 50 PHE -3.59 1.34 1 51 ARG -4.81 0.42 1 52 LYS -0.71 0.13 1 53 VAL -3.78 0.49 1 54 VAL 0.24 0.28 1 55 TRP -4.17 -0.06 1 57 THR 1.67 -0.08 1 58 ALA -7.17 0.31 1 59 ASP 4.30 -0.14 1 60 ILE 0.13 -0.20 1 61 MET -1.82 0.85 1 64 PHE -3.90 1.01 1 65 ALA -5.27 0.57 1 66 ARG -4.58 0.90 1 68 ALA 1.30 -0.41 1 69 HIS 0.81 0.50 1 71 ASP -3.40 0.37 1 72 SER 1.82 -0.19 1 73 TYR -2.38 -0.56 1 75 PHE 1.31 -0.32 1 76 ASP -1.24 0.29 1 80 ASN 3.75 -0.57 1 81 THR 4.21 0.12 1 82 LEU -1.34 -0.14 1 83 ALA -3.22 0.58 1 84 HIS -1.87 0.35 1 85 ALA -6.39 0.65 1 86 PHE -3.52 -0.13 1 87 ALA 1.38 -0.19 1 90 THR 0.07 -0.04 1 92 LEU 1.42 -0.04 1 95 ASP 2.64 -0.03 1 96 ALA -4.10 0.65 1 97 HIS -9.46 1.17 1 98 PHE -3.33 -0.13 1 99 ASP 0.82 -0.38 1 100 GLU -1.60 -0.11 1 101 ASP 3.22 0.28 1 103 ARG -0.85 0.18 1 104 TRP -1.69 0.52 1 105 THR -4.16 0.73 1 106 ASP -1.79 0.38 1 108 SER -0.02 0.39 1 109 SER 0.72 0.31 1 110 LEU 0.40 0.15 1 112 ILE 0.46 -0.23 1 113 ASN 1.21 -0.13 1 114 PHE 5.73 0.09 1 115 LEU 5.38 -0.37 1 116 TYR 2.70 -0.41 1 117 ALA 2.70 -0.07 1 118 ALA 5.32 -0.23 1 120 HIS 4.63 0.03 1 121 GLU 3.36 -0.31 1 122 LEU 4.21 -0.02 1 124 HIS 4.04 -0.44 1 126 LEU -0.74 -0.33 1 128 MET -0.12 0.16 1 130 HIS -0.14 0.47 1 131 SER -4.43 -0.17 1 132 SER 0.36 0.13 1 133 ASP -2.25 0.06 1 135 ASN -0.21 -0.71 1 136 ALA -1.25 0.38 1 137 VAL 1.11 -0.09 1 138 MET 3.10 0.16 1 139 TYR 0.24 -0.60 1 141 THR -1.35 0.01 1 142 TYR 0.96 0.06 1 144 ASN -0.94 -0.29 1 146 ASP 2.11 -0.42 1 148 GLN 1.59 0.00 1 149 ASN -0.82 0.18 1 150 PHE -0.17 -0.33 1 151 LYS -3.87 0.54 1 152 LEU 1.13 0.17 1 154 GLN 4.03 -0.18 1 155 ASP 1.20 -0.17 1 156 ASP 0.56 -0.19 1 157 ILE 4.38 -0.40 1 158 LYS 3.90 -0.16 1 160 ILE 1.39 0.59 1 161 GLN -4.51 0.16 1 162 LYS 3.91 -0.17 1 163 LEU 0.47 -0.24 1 164 TYR -1.00 0.21 1 166 LYS -2.49 0.62 1 167 ARG 1.52 0.18 1 172 LYS 2.64 0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6014_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.46 _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 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.13 _LACS_plot.Line_2_terminator_val_x_2 7.34 _LACS_plot.Line_2_terminator_val_y_2 2.84 _LACS_plot.Y_axis_chem_shift_offset -0.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 85 ALA -6.39 -7.52 0 138 MET 3.10 -6.14 0 97 HIS -9.46 1.44 0 10 TRP -1.16 -0.22 1 12 SER -2.40 0.72 1 13 LYS 3.05 -4.36 1 14 VAL -2.87 0.53 1 15 VAL -3.12 -0.59 1 16 THR -5.34 2.19 1 17 TYR -6.32 -0.75 1 18 ARG -5.32 -6.14 1 19 ILE 1.59 -2.03 1 20 VAL 1.05 -0.03 1 21 SER -2.92 2.23 1 22 TYR -1.45 -6.19 1 24 ARG 2.13 -1.54 1 25 ASP 0.86 3.45 1 26 LEU -8.59 -0.93 1 29 ILE 2.96 3.07 1 30 THR 6.47 4.10 1 31 VAL 7.14 0.31 1 32 ASP 4.70 2.56 1 33 ARG 3.88 6.59 1 34 LEU 3.43 4.57 1 35 VAL 7.35 5.19 1 37 LYS 3.76 1.75 1 38 ALA 1.48 2.56 1 39 LEU 3.97 4.84 1 40 ASN 2.74 2.19 1 41 MET 5.18 2.89 1 42 TRP 0.63 3.71 1 44 LYS 2.10 0.57 1 45 GLU -2.42 2.64 1 46 ILE -3.51 5.20 1 48 LEU -3.98 -1.94 1 49 HIS -4.85 0.27 1 50 PHE -3.59 -2.39 1 51 ARG -4.81 0.26 1 52 LYS -0.71 -2.65 1 53 VAL -3.78 1.15 1 54 VAL 0.24 0.37 1 55 TRP -4.17 -0.89 1 57 THR 1.67 -1.62 1 58 ALA -7.17 -5.45 1 59 ASP 4.30 -0.02 1 60 ILE 0.13 2.84 1 61 MET -1.82 -1.71 1 62 ILE -3.39 1.16 1 64 PHE -3.90 -6.03 1 65 ALA -5.27 -1.64 1 66 ARG -4.58 -0.70 1 69 HIS 0.81 4.60 1 71 ASP -3.40 -2.20 1 73 TYR -2.38 -3.06 1 75 PHE 1.31 6.16 1 76 ASP -1.24 -0.96 1 80 ASN 3.75 -0.24 1 81 THR 4.21 0.48 1 82 LEU -1.34 -2.00 1 83 ALA -3.22 -0.63 1 84 HIS -1.87 2.96 1 86 PHE -3.52 -0.03 1 87 ALA 1.38 -0.41 1 95 ASP 2.64 -1.64 1 96 ALA -4.10 -3.82 1 98 PHE -3.33 -2.78 1 99 ASP 0.82 -2.27 1 100 GLU -1.60 4.83 1 101 ASP 3.22 1.43 1 103 ARG -0.85 -0.42 1 104 TRP -1.69 -1.56 1 105 THR -4.16 2.86 1 106 ASP -1.79 -3.89 1 108 SER -0.02 0.27 1 109 SER 0.72 -0.74 1 112 ILE 0.46 -4.72 1 113 ASN 1.21 1.19 1 114 PHE 5.73 0.92 1 115 LEU 5.38 -0.83 1 116 TYR 2.70 1.44 1 117 ALA 2.70 1.33 1 118 ALA 5.32 5.14 1 120 HIS 4.63 4.58 1 121 GLU 3.36 1.24 1 122 LEU 4.21 2.32 1 124 HIS 4.04 6.43 1 126 LEU -0.74 -2.34 1 128 MET -0.12 -1.76 1 130 HIS -0.14 -0.01 1 131 SER -4.43 1.06 1 132 SER 0.36 1.51 1 133 ASP -2.25 -1.70 1 135 ASN -0.21 3.54 1 136 ALA -1.25 -2.26 1 137 VAL 1.11 1.77 1 139 TYR 0.24 3.82 1 141 THR -1.35 0.12 1 142 TYR 0.96 -2.82 1 144 ASN -0.94 1.69 1 146 ASP 2.11 -2.43 1 148 GLN 1.59 3.31 1 149 ASN -0.82 2.70 1 150 PHE -0.17 -2.40 1 151 LYS -3.87 -3.97 1 152 LEU 1.13 -2.17 1 154 GLN 4.03 0.34 1 156 ASP 0.56 4.19 1 157 ILE 4.38 3.35 1 158 LYS 3.90 3.09 1 160 ILE 1.39 1.11 1 161 GLN -4.51 4.57 1 162 LYS 3.91 1.09 1 163 LEU 0.47 2.88 1 164 TYR -1.00 3.01 1 166 LYS -2.49 0.44 1 167 ARG 1.52 3.11 1 170 SER -2.13 0.47 1 172 LYS 2.64 -0.21 1 173 LYS 1.02 -0.14 1 stop_ save_