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 bmr6711_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.39 _LACS_plot.Line_1_terminator_val_y_1 -3.05 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.62 _LACS_plot.Line_2_terminator_val_x_2 7.49 _LACS_plot.Line_2_terminator_val_y_2 5.60 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 HIS -3.60 1.97 0 10 MET 4.91 4.25 1 11 ALA 4.09 2.71 1 12 GLU 4.20 4.68 1 13 TYR 3.11 2.51 1 14 LYS 4.42 3.02 1 15 GLN 4.56 3.21 1 16 LEU 2.34 2.25 1 17 THR 3.44 2.69 1 18 LEU 1.36 1.49 1 19 ASN -1.25 -0.45 1 22 GLU 1.34 0.71 1 24 ILE -4.59 -1.43 1 25 VAL -2.38 -0.68 1 26 ALA -4.44 -1.04 1 29 MET 0.83 0.21 1 30 ASN -2.00 -0.69 1 31 GLU 2.87 1.89 1 32 GLU 0.46 0.47 1 33 ASN -0.87 -1.64 1 34 PHE 2.42 2.37 1 35 PHE 3.24 1.70 1 36 GLU -3.13 -1.38 1 37 TRP -4.85 -2.56 1 38 GLU -4.74 -2.20 1 39 ALA -6.05 -2.54 1 40 LEU -2.38 -0.83 1 41 ILE -2.59 -1.74 1 42 MET -0.84 -1.55 1 45 GLU 0.49 0.50 1 46 ASP 3.49 1.47 1 47 THR -6.44 -1.69 1 49 PHE 0.48 0.28 1 50 GLU 1.23 0.87 1 51 PHE 5.48 2.13 1 53 VAL -0.47 -0.29 1 54 PHE -4.04 -2.33 1 56 ALA -7.39 -2.47 1 57 ILE -4.25 -2.15 1 58 LEU -4.00 -1.14 1 59 SER -1.92 -2.24 1 60 PHE -0.27 0.60 1 62 LEU 2.64 1.66 1 63 ASP -0.57 -2.32 1 64 TYR 1.48 2.70 1 66 LEU 4.41 2.66 1 67 SER -1.30 -0.89 1 70 LYS -2.85 -1.40 1 71 MET -4.04 -1.10 1 72 ARG -5.14 -2.37 1 73 PHE 1.33 2.20 1 74 THR 1.87 -0.53 1 76 GLU 1.34 0.95 1 77 MET -6.03 -2.52 1 78 PHE 0.60 0.70 1 81 ASN -1.50 -0.10 1 82 ILE -2.43 -1.47 1 83 TYR 3.48 3.44 1 85 ASP 0.32 -0.81 1 87 ARG 1.97 1.84 1 88 VAL 1.18 1.46 1 90 ILE -3.98 -1.68 1 91 SER 2.66 1.04 1 92 ILE 2.93 2.47 1 93 LEU -1.00 -2.12 1 94 HIS -1.30 0.70 1 95 ALA -0.46 -0.34 1 98 ASP -0.14 -0.24 1 99 ASP 0.69 0.79 1 101 MET 0.64 -0.26 1 103 TYR -0.13 -0.29 1 104 GLU -0.00 0.20 1 105 SER -1.30 -1.60 1 106 SER 0.39 -0.13 1 107 ALA -0.14 -0.09 1 108 GLU 0.06 0.16 1 109 ARG -4.25 -2.70 1 110 TRP 2.60 2.40 1 111 SER 0.41 0.37 1 113 VAL 1.55 -0.65 1 114 GLN 0.53 -1.42 1 115 SER -4.58 -2.17 1 116 VAL 7.16 5.23 1 117 GLU 4.17 4.17 1 118 LYS 3.80 2.90 1 119 ILE 5.25 4.85 1 120 LEU 5.04 3.02 1 121 LEU 4.01 2.80 1 122 SER 3.93 3.90 1 123 VAL 6.32 4.26 1 124 VAL 7.50 5.90 1 125 SER 3.90 3.10 1 126 MET 2.90 1.70 1 127 LEU 4.10 2.60 1 128 ALA 0.97 1.40 1 129 GLU -2.60 -1.10 1 131 ASN -1.52 -0.92 1 132 ASP 0.60 0.20 1 133 GLU 1.11 0.90 1 134 SER -0.76 -0.52 1 136 ALA 3.65 1.85 1 137 ASN -0.84 -1.90 1 138 VAL 4.64 3.48 1 139 ASP 4.20 3.30 1 140 ALA 4.72 2.00 1 141 SER 4.56 4.46 1 142 LYS 4.10 3.20 1 143 MET 2.20 3.50 1 144 TRP 3.60 2.90 1 145 ARG 2.08 2.47 1 146 ASP 0.76 1.46 1 147 ASP -0.79 -1.92 1 148 ARG 4.57 2.47 1 149 GLU 3.80 2.90 1 150 GLN 4.20 2.40 1 151 PHE 5.76 5.00 1 152 TYR 2.96 1.00 1 153 LYS 4.58 3.78 1 154 ILE 4.90 3.07 1 155 ALA 3.50 3.10 1 156 LYS 4.40 3.20 1 157 GLN 4.40 3.00 1 158 ILE 4.40 1.60 1 159 VAL 7.00 5.40 1 160 GLN 0.80 3.80 1 161 LYS 3.70 3.00 1 162 SER 5.30 3.30 1 163 LEU -0.52 -0.40 1 165 LEU -0.70 0.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6711_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.39 _LACS_plot.Line_1_terminator_val_y_1 4.34 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.38 _LACS_plot.Line_2_terminator_val_x_2 7.49 _LACS_plot.Line_2_terminator_val_y_2 -1.89 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 HIS -3.60 5.57 0 10 MET 4.91 -0.66 1 11 ALA 4.09 -1.38 1 12 GLU 4.20 0.48 1 13 TYR 3.11 -0.60 1 14 LYS 4.42 -1.40 1 15 GLN 4.56 -1.35 1 16 LEU 2.34 -0.09 1 17 THR 3.44 -0.75 1 18 LEU 1.36 0.13 1 19 ASN -1.25 0.80 1 22 GLU 1.34 -0.63 1 24 ILE -4.59 3.16 1 25 VAL -2.38 1.70 1 26 ALA -4.44 3.40 1 29 MET 0.83 -0.62 1 30 ASN -2.00 1.31 1 31 GLU 2.87 -0.98 1 32 GLU 0.46 0.01 1 33 ASN -0.87 -0.77 1 34 PHE 2.42 -0.05 1 35 PHE 3.24 -1.54 1 36 GLU -3.13 1.75 1 37 TRP -4.85 2.29 1 38 GLU -4.74 2.54 1 39 ALA -6.05 3.51 1 40 LEU -2.38 1.55 1 41 ILE -2.59 0.85 1 42 MET -0.84 -0.71 1 45 GLU 0.49 0.01 1 46 ASP 3.49 -2.02 1 47 THR -6.44 4.75 1 49 PHE 0.48 -0.20 1 50 GLU 1.23 -0.36 1 51 PHE 5.48 -3.35 1 53 VAL -0.47 0.18 1 54 PHE -4.04 1.71 1 56 ALA -7.39 4.92 1 57 ILE -4.25 2.10 1 58 LEU -4.00 2.86 1 59 SER -1.92 -0.32 1 60 PHE -0.27 0.87 1 62 LEU 2.64 -0.98 1 63 ASP -0.57 -1.75 1 64 TYR 1.48 1.22 1 66 LEU 4.41 -1.75 1 67 SER -1.30 0.41 1 70 LYS -2.85 1.45 1 71 MET -4.04 2.94 1 72 ARG -5.14 2.77 1 73 PHE 1.33 0.87 1 74 THR 1.87 -2.40 1 76 GLU 1.34 -0.39 1 77 MET -6.03 3.51 1 78 PHE 0.60 0.10 1 81 ASN -1.50 1.40 1 82 ILE -2.43 0.96 1 83 TYR 3.48 -0.04 1 85 ASP 0.32 -1.13 1 87 ARG 1.97 -0.13 1 88 VAL 1.18 0.28 1 90 ILE -3.98 2.30 1 91 SER 2.66 -1.62 1 92 ILE 2.93 -0.46 1 93 LEU -1.00 -1.12 1 94 HIS -1.30 2.00 1 95 ALA -0.46 0.12 1 98 ASP -0.14 -0.10 1 99 ASP 0.69 0.10 1 101 MET 0.64 -0.90 1 103 TYR -0.13 -0.16 1 104 GLU -0.00 0.20 1 105 SER -1.30 -0.30 1 106 SER 0.39 -0.52 1 107 ALA -0.14 0.05 1 108 GLU 0.06 0.10 1 109 ARG -4.25 1.55 1 110 TRP 2.60 -0.20 1 111 SER 0.41 -0.04 1 113 VAL 1.55 -2.20 1 114 GLN 0.53 -1.95 1 115 SER -4.58 2.41 1 116 VAL 7.16 -1.93 1 117 GLU 4.17 0.00 1 118 LYS 3.80 -0.90 1 119 ILE 5.25 -0.40 1 120 LEU 5.04 -2.02 1 121 LEU 4.01 -1.21 1 122 SER 3.93 -0.03 1 123 VAL 6.32 -2.06 1 124 VAL 7.50 -1.60 1 125 SER 3.90 -0.80 1 126 MET 2.90 -1.20 1 127 LEU 4.10 -1.50 1 128 ALA 0.97 0.43 1 129 GLU -2.60 1.50 1 131 ASN -1.52 0.60 1 132 ASP 0.60 -0.40 1 133 GLU 1.11 -0.21 1 134 SER -0.76 0.24 1 136 ALA 3.65 -1.80 1 137 ASN -0.84 -1.06 1 138 VAL 4.64 -1.16 1 139 ASP 4.20 -0.90 1 140 ALA 4.72 -2.72 1 141 SER 4.56 -0.10 1 142 LYS 4.10 -0.90 1 143 MET 2.20 1.30 1 144 TRP 3.60 -0.70 1 145 ARG 2.08 0.39 1 146 ASP 0.76 0.70 1 147 ASP -0.79 -1.13 1 148 ARG 4.57 -2.10 1 149 GLU 3.80 -0.90 1 150 GLN 4.20 -1.80 1 151 PHE 5.76 -0.76 1 152 TYR 2.96 -1.96 1 153 LYS 4.58 -0.80 1 154 ILE 4.90 -1.83 1 155 ALA 3.50 -0.40 1 156 LYS 4.40 -1.20 1 157 GLN 4.40 -1.40 1 158 ILE 4.40 -2.80 1 159 VAL 7.00 -1.60 1 160 GLN 0.80 3.00 1 161 LYS 3.70 -0.70 1 162 SER 5.30 -2.00 1 163 LEU -0.52 0.12 1 165 LEU -0.70 1.20 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6711_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.39 _LACS_plot.Line_1_terminator_val_y_1 0.82 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.24 _LACS_plot.Line_2_terminator_val_x_2 7.49 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 147 ASP -0.79 -1.69 0 10 MET 4.91 -0.44 1 11 ALA 4.09 -0.09 1 12 GLU 4.20 -0.12 1 13 TYR 3.11 -0.10 1 14 LYS 4.42 -0.59 1 15 GLN 4.56 -0.31 1 16 LEU 2.34 -0.25 1 17 THR 3.44 -0.39 1 18 LEU 1.36 -0.15 1 22 GLU 1.34 -0.25 1 24 ILE -4.59 0.72 1 25 VAL -2.38 0.20 1 26 ALA -4.44 1.13 1 29 MET 0.83 0.02 1 30 ASN -2.00 -0.18 1 31 GLU 2.87 -0.82 1 32 GLU 0.46 -0.07 1 33 ASN -0.87 0.49 1 34 PHE 2.42 -0.69 1 35 PHE 3.24 -0.26 1 36 GLU -3.13 1.13 1 37 TRP -4.85 0.67 1 38 GLU -4.74 0.89 1 39 ALA -6.05 1.13 1 40 LEU -2.38 0.36 1 41 ILE -2.59 0.34 1 42 MET -0.84 0.47 1 45 GLU 0.49 -0.59 1 46 ASP 3.49 -0.37 1 47 THR -6.44 0.61 1 49 PHE 0.48 -0.86 1 50 GLU 1.23 -1.03 1 51 PHE 5.48 -0.48 1 53 VAL -0.47 -0.12 1 56 ALA -7.39 0.82 1 57 ILE -4.25 0.88 1 58 LEU -4.00 0.60 1 59 SER -1.92 0.58 1 62 LEU 2.64 -0.38 1 63 ASP -0.57 0.05 1 66 LEU 4.41 -0.20 1 67 SER -1.30 -0.22 1 70 LYS -2.85 -0.09 1 71 MET -4.04 0.76 1 72 ARG -5.14 0.70 1 73 PHE 1.33 0.34 1 74 THR 1.87 0.15 1 76 GLU 1.34 -0.21 1 77 MET -6.03 0.20 1 78 PHE 0.60 -0.06 1 81 ASN -1.50 0.26 1 82 ILE -2.43 0.42 1 83 TYR 3.48 -0.21 1 85 ASP 0.32 -0.05 1 87 ARG 1.97 0.15 1 88 VAL 1.18 -0.25 1 90 ILE -3.98 0.66 1 91 SER 2.66 -0.17 1 92 ILE 2.93 -0.16 1 93 LEU -1.00 0.21 1 94 HIS -1.30 -0.01 1 98 ASP -0.14 -0.03 1 101 MET 0.64 -0.13 1 103 TYR -0.13 -0.04 1 104 GLU -0.00 -0.11 1 105 SER -1.30 -0.15 1 106 SER 0.39 -0.06 1 107 ALA -0.14 -0.07 1 108 GLU 0.06 -0.27 1 109 ARG -4.25 0.54 1 110 TRP 2.60 -0.45 1 111 SER 0.41 -0.60 1 113 VAL 1.55 0.10 1 114 GLN 0.53 0.15 1 115 SER -4.58 0.47 1 116 VAL 7.16 -0.56 1 117 GLU 4.17 -0.67 1 118 LYS 3.80 -0.34 1 119 ILE 5.25 -0.66 1 120 LEU 5.04 -0.53 1 121 LEU 4.01 -0.25 1 122 SER 3.93 -0.24 1 123 VAL 6.32 -0.47 1 124 VAL 7.50 -0.69 1 125 SER 3.90 -0.19 1 126 MET 2.90 -0.31 1 127 LEU 4.10 -0.65 1 128 ALA 0.97 0.04 1 129 GLU -2.60 -0.43 1 131 ASN -1.52 -0.12 1 132 ASP 0.60 -0.24 1 133 GLU 1.11 -0.22 1 134 SER -0.76 -0.20 1 136 ALA 3.65 -0.69 1 137 ASN -0.84 0.06 1 138 VAL 4.64 -0.41 1 139 ASP 4.20 -0.08 1 140 ALA 4.72 -0.45 1 141 SER 4.56 -0.55 1 142 LYS 4.10 -0.36 1 143 MET 2.20 -0.38 1 144 TRP 3.60 -1.12 1 145 ARG 2.08 -0.47 1 146 ASP 0.76 0.04 1 148 ARG 4.57 -0.84 1 149 GLU 3.80 -0.39 1 150 GLN 4.20 -0.26 1 151 PHE 5.76 -0.56 1 152 TYR 2.96 -0.10 1 153 LYS 4.58 -0.29 1 154 ILE 4.90 -0.62 1 155 ALA 3.50 -0.44 1 156 LYS 4.40 -0.23 1 157 GLN 4.40 -0.19 1 158 ILE 4.40 -0.35 1 159 VAL 7.00 -0.40 1 160 GLN 0.80 -0.40 1 161 LYS 3.70 -0.09 1 162 SER 5.30 -0.05 1 163 LEU -0.52 0.11 1 165 LEU -0.70 -0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6711_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.39 _LACS_plot.Line_1_terminator_val_y_1 -2.49 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.71 _LACS_plot.Line_2_terminator_val_x_2 7.49 _LACS_plot.Line_2_terminator_val_y_2 2.46 _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 19 ASN -1.25 6.77 0 129 GLU -2.60 6.30 0 10 MET 4.91 2.55 1 11 ALA 4.09 3.56 1 12 GLU 4.20 2.86 1 13 TYR 3.11 1.62 1 14 LYS 4.42 2.18 1 15 GLN 4.56 2.33 1 16 LEU 2.34 0.60 1 17 THR 3.44 1.61 1 18 LEU 1.36 -0.15 1 22 GLU 1.34 1.01 1 24 ILE -4.59 -1.64 1 25 VAL -2.38 -1.43 1 26 ALA -4.44 -1.30 1 29 MET 0.83 -0.27 1 30 ASN -2.00 -0.08 1 31 GLU 2.87 -0.79 1 32 GLU 0.46 -0.30 1 33 ASN -0.87 -0.37 1 34 PHE 2.42 -1.02 1 35 PHE 3.24 -0.93 1 36 GLU -3.13 -1.61 1 37 TRP -4.85 -0.95 1 38 GLU -4.74 -1.70 1 39 ALA -6.05 -2.66 1 40 LEU -2.38 -2.44 1 41 ILE -2.59 -1.70 1 42 MET -0.84 1.17 1 45 GLU 0.49 -0.90 1 46 ASP 3.49 -1.15 1 47 THR -6.44 1.87 1 49 PHE 0.48 -1.82 1 50 GLU 1.23 -1.77 1 51 PHE 5.48 -0.29 1 53 VAL -0.47 -1.67 1 54 PHE -4.04 -0.81 1 56 ALA -7.39 -2.00 1 57 ILE -4.25 -0.08 1 58 LEU -4.00 -3.61 1 59 SER -1.92 -0.20 1 60 PHE -0.27 -1.74 1 62 LEU 2.64 -0.99 1 63 ASP -0.57 0.38 1 64 TYR 1.48 -0.97 1 66 LEU 4.41 -0.07 1 70 LYS -2.85 -1.45 1 71 MET -4.04 -3.06 1 72 ARG -5.14 -1.00 1 73 PHE 1.33 -1.64 1 74 THR 1.87 -0.54 1 76 GLU 1.34 -0.38 1 77 MET -6.03 -2.09 1 78 PHE 0.60 5.02 1 79 HIS -3.60 0.69 1 81 ASN -1.50 -3.00 1 82 ILE -2.43 -0.38 1 83 TYR 3.48 2.05 1 85 ASP 0.32 0.40 1 87 ARG 1.97 -0.49 1 88 VAL 1.18 -1.30 1 90 ILE -3.98 0.64 1 91 SER 2.66 2.12 1 92 ILE 2.93 -3.59 1 93 LEU -1.00 -1.31 1 94 HIS -1.30 0.66 1 95 ALA -0.46 -0.36 1 98 ASP -0.14 -0.47 1 99 ASP 0.69 -0.25 1 101 MET 0.64 0.30 1 103 TYR -0.13 -0.02 1 104 GLU -0.00 0.43 1 105 SER -1.30 0.33 1 106 SER 0.39 -0.34 1 107 ALA -0.14 -0.38 1 108 GLU 0.06 -0.72 1 109 ARG -4.25 -0.50 1 110 TRP 2.60 0.46 1 113 VAL 1.55 1.26 1 114 GLN 0.53 -3.43 1 115 SER -4.58 -0.24 1 116 VAL 7.16 1.54 1 117 GLU 4.17 0.63 1 118 LYS 3.80 3.99 1 119 ILE 5.25 0.95 1 120 LEU 5.04 1.38 1 121 LEU 4.01 3.06 1 122 SER 3.93 2.37 1 123 VAL 6.32 0.74 1 124 VAL 7.50 1.87 1 125 SER 3.90 1.70 1 126 MET 2.90 2.17 1 127 LEU 4.10 -0.93 1 128 ALA 0.97 0.29 1 131 ASN -1.52 -0.42 1 132 ASP 0.60 0.35 1 133 GLU 1.11 0.04 1 134 SER -0.76 0.33 1 136 ALA 3.65 -0.67 1 137 ASN -0.84 1.55 1 138 VAL 4.64 1.46 1 139 ASP 4.20 2.97 1 140 ALA 4.72 1.07 1 141 SER 4.56 3.17 1 142 LYS 4.10 1.16 1 143 MET 2.20 1.60 1 144 TRP 3.60 0.45 1 145 ARG 2.08 2.28 1 146 ASP 0.76 0.42 1 147 ASP -0.79 -1.43 1 148 ARG 4.57 1.28 1 149 GLU 3.80 3.16 1 150 GLN 4.20 1.78 1 151 PHE 5.76 1.52 1 152 TYR 2.96 2.70 1 153 LYS 4.58 3.10 1 154 ILE 4.90 2.00 1 155 ALA 3.50 1.56 1 156 LYS 4.40 3.10 1 157 GLN 4.40 2.80 1 158 ILE 4.40 3.83 1 159 VAL 7.00 3.00 1 160 GLN 0.80 2.87 1 161 LYS 3.70 3.98 1 162 SER 5.30 0.42 1 163 LEU -0.52 0.03 1 165 LEU -0.70 -5.56 1 stop_ save_