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 bmr6934_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.45 _LACS_plot.Line_1_terminator_val_y_1 -2.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.11 _LACS_plot.Line_2_terminator_val_x_2 8.90 _LACS_plot.Line_2_terminator_val_y_2 6.83 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 ASP -4.76 0.46 0 60 LEU 2.27 -1.76 0 21 MET 0.73 0.75 1 22 PHE -1.72 -1.65 1 23 ASN -0.88 1.98 1 24 ASN -2.40 -0.76 1 25 ILE -3.30 -1.42 1 26 LEU -4.21 -3.28 1 27 VAL -1.19 -1.96 1 28 VAL -4.63 -1.24 1 30 VAL 5.70 4.35 1 32 ASN 0.05 1.45 1 33 ILE -0.40 2.10 1 35 ARG 5.38 4.88 1 36 SER 8.90 8.10 1 38 THR 7.09 5.59 1 39 ALA 1.21 2.57 1 40 GLU 1.67 2.26 1 41 ARG 3.56 0.72 1 42 LEU 1.50 2.93 1 43 LEU 3.36 3.33 1 44 GLN 2.37 2.15 1 45 ARG 3.52 2.55 1 46 TYR 0.16 1.10 1 47 HIS -0.98 0.66 1 49 GLU 0.81 0.07 1 50 LEU -1.99 -1.21 1 51 LYS 0.72 -0.35 1 52 VAL -2.66 -1.91 1 53 GLU -7.45 -2.55 1 54 SER -3.39 -0.54 1 55 ALA -4.11 -0.85 1 57 LEU 0.97 2.37 1 59 ALA -1.14 -0.25 1 61 VAL 4.41 3.43 1 63 LYS 0.02 -0.08 1 65 ALA -0.39 -0.70 1 68 THR 8.04 4.29 1 69 ALA 4.74 3.16 1 70 ILE 5.45 4.94 1 71 SER 3.87 3.07 1 72 VAL 5.13 4.04 1 73 ALA 4.72 3.32 1 74 ALA 4.27 2.81 1 75 GLU 2.30 1.89 1 76 HIS -0.32 -0.50 1 77 GLN 5.60 1.72 1 78 LEU -3.60 -1.64 1 79 SER -1.15 -1.35 1 80 LEU -0.72 -1.36 1 81 GLU 1.12 1.14 1 83 HIS 0.07 2.73 1 85 ALA -0.14 0.07 1 86 ARG -4.78 -1.51 1 87 GLN -1.48 -1.78 1 88 ILE -0.19 0.46 1 89 SER -4.58 -1.70 1 90 ARG 5.87 5.06 1 91 ARG 4.13 3.10 1 92 LEU 2.18 2.72 1 94 ARG 2.15 1.59 1 95 ASN 0.74 0.36 1 96 TYR -1.86 0.21 1 97 ASP -1.64 1.57 1 98 LEU -4.67 -0.96 1 99 ILE -2.45 -1.77 1 100 LEU -6.78 -3.67 1 101 THR -3.86 -2.53 1 102 MET -0.35 1.09 1 103 GLU -5.81 -2.55 1 104 LYS 6.61 4.98 1 105 ARG 4.02 2.24 1 106 HIS -2.34 1.74 1 107 ILE 6.45 5.17 1 108 GLU 3.40 2.64 1 109 ARG 2.74 2.59 1 110 LEU 3.29 3.25 1 112 GLU 1.92 1.70 1 113 MET 1.42 2.35 1 114 ALA -2.77 -1.44 1 116 GLU 3.79 1.58 1 117 MET 1.13 -1.93 1 118 ARG 4.85 3.70 1 120 LYS -1.07 -0.75 1 121 VAL -1.64 -1.97 1 122 MET -6.90 -1.64 1 123 LEU 0.47 -0.74 1 124 PHE 5.53 5.01 1 126 HIS 1.88 4.83 1 127 TRP 0.43 -1.40 1 128 ASP -1.14 -2.10 1 129 ASN 2.88 0.88 1 130 GLU 3.73 0.08 1 132 GLU -2.57 -0.28 1 133 ILE -0.31 -1.01 1 135 ASP -2.50 -0.80 1 137 TYR 2.27 1.78 1 138 ARG 6.32 2.62 1 139 LYS -1.09 -1.60 1 140 SER -2.32 -0.51 1 141 ARG 6.36 4.76 1 142 GLU 5.16 3.72 1 143 THR 7.50 5.30 1 144 PHE 5.69 6.00 1 145 ALA 4.23 3.08 1 146 ALA 3.82 2.70 1 147 VAL 6.11 5.10 1 148 TYR 6.35 5.96 1 149 THR 6.25 5.42 1 150 LEU 2.60 3.20 1 151 LEU 3.13 2.93 1 152 GLU 4.87 4.15 1 153 ARG 4.03 3.65 1 154 SER 5.52 5.32 1 155 ALA 2.74 3.23 1 156 ARG 4.64 3.74 1 157 GLN 4.37 3.09 1 158 TRP 4.47 4.17 1 159 ALA 3.98 3.44 1 160 GLN 3.44 2.44 1 161 ALA 2.79 2.07 1 162 LEU 0.99 0.21 1 163 ASN 0.94 0.58 1 164 ALA -0.06 0.32 1 165 GLU -0.44 -0.05 1 166 GLN -0.25 0.03 1 167 VAL 1.10 1.46 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6934_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.45 _LACS_plot.Line_1_terminator_val_y_1 4.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.89 _LACS_plot.Line_2_terminator_val_x_2 8.90 _LACS_plot.Line_2_terminator_val_y_2 -2.07 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 ASP -4.76 5.22 0 60 LEU 2.27 -4.03 0 21 MET 0.73 0.02 1 22 PHE -1.72 0.07 1 23 ASN -0.88 2.86 1 24 ASN -2.40 1.64 1 25 ILE -3.30 1.88 1 26 LEU -4.21 0.93 1 27 VAL -1.19 -0.77 1 28 VAL -4.63 3.39 1 30 VAL 5.70 -1.35 1 32 ASN 0.05 1.40 1 33 ILE -0.40 2.50 1 35 ARG 5.38 -0.50 1 36 SER 8.90 -0.80 1 38 THR 7.09 -1.50 1 39 ALA 1.21 1.36 1 40 GLU 1.67 0.59 1 41 ARG 3.56 -2.84 1 42 LEU 1.50 1.43 1 43 LEU 3.36 -0.03 1 44 GLN 2.37 -0.22 1 45 ARG 3.52 -0.97 1 46 TYR 0.16 0.94 1 47 HIS -0.98 1.64 1 49 GLU 0.81 -0.74 1 50 LEU -1.99 0.78 1 51 LYS 0.72 -1.07 1 52 VAL -2.66 0.75 1 53 GLU -7.45 4.90 1 54 SER -3.39 2.85 1 55 ALA -4.11 3.26 1 57 LEU 0.97 1.40 1 59 ALA -1.14 0.89 1 61 VAL 4.41 -0.98 1 63 LYS 0.02 -0.10 1 65 ALA -0.39 -0.31 1 68 THR 8.04 -3.75 1 69 ALA 4.74 -1.58 1 70 ILE 5.45 -0.51 1 71 SER 3.87 -0.80 1 72 VAL 5.13 -1.09 1 73 ALA 4.72 -1.40 1 74 ALA 4.27 -1.46 1 75 GLU 2.30 -0.41 1 76 HIS -0.32 -0.18 1 77 GLN 5.60 -3.88 1 78 LEU -3.60 1.96 1 79 SER -1.15 -0.20 1 80 LEU -0.72 -0.64 1 81 GLU 1.12 0.02 1 83 HIS 0.07 2.66 1 85 ALA -0.14 0.21 1 86 ARG -4.78 3.27 1 87 GLN -1.48 -0.30 1 88 ILE -0.19 0.65 1 89 SER -4.58 2.88 1 90 ARG 5.87 -0.81 1 91 ARG 4.13 -1.03 1 92 LEU 2.18 0.54 1 94 ARG 2.15 -0.56 1 95 ASN 0.74 -0.38 1 96 TYR -1.86 2.07 1 97 ASP -1.64 3.21 1 98 LEU -4.67 3.71 1 99 ILE -2.45 0.68 1 100 LEU -6.78 3.11 1 101 THR -3.86 1.33 1 102 MET -0.35 1.44 1 103 GLU -5.81 3.26 1 104 LYS 6.61 -1.63 1 105 ARG 4.02 -1.78 1 106 HIS -2.34 4.08 1 107 ILE 6.45 -1.28 1 108 GLU 3.40 -0.76 1 109 ARG 2.74 -0.15 1 110 LEU 3.29 -0.04 1 112 GLU 1.92 -0.22 1 113 MET 1.42 0.93 1 114 ALA -2.77 1.33 1 116 GLU 3.79 -2.21 1 117 MET 1.13 -3.06 1 118 ARG 4.85 -1.15 1 120 LYS -1.07 0.32 1 121 VAL -1.64 -0.33 1 122 MET -6.90 5.26 1 123 LEU 0.47 -1.21 1 124 PHE 5.53 -0.52 1 126 HIS 1.88 2.95 1 127 TRP 0.43 -1.83 1 128 ASP -1.14 -0.96 1 129 ASN 2.88 -2.00 1 130 GLU 3.73 -3.65 1 132 GLU -2.57 2.29 1 133 ILE -0.31 -0.70 1 135 ASP -2.50 1.70 1 137 TYR 2.27 -0.49 1 138 ARG 6.32 -3.70 1 139 LYS -1.09 -0.51 1 140 SER -2.32 1.81 1 141 ARG 6.36 -1.60 1 142 GLU 5.16 -1.44 1 143 THR 7.50 -2.20 1 144 PHE 5.69 0.31 1 145 ALA 4.23 -1.15 1 146 ALA 3.82 -1.12 1 147 VAL 6.11 -1.01 1 148 TYR 6.35 -0.39 1 149 THR 6.25 -0.83 1 150 LEU 2.60 0.60 1 151 LEU 3.13 -0.20 1 152 GLU 4.87 -0.72 1 153 ARG 4.03 -0.38 1 154 SER 5.52 -0.20 1 155 ALA 2.74 0.49 1 156 ARG 4.64 -0.90 1 157 GLN 4.37 -1.28 1 158 TRP 4.47 -0.30 1 159 ALA 3.98 -0.54 1 160 GLN 3.44 -1.00 1 161 ALA 2.79 -0.72 1 162 LEU 0.99 -0.78 1 163 ASN 0.94 -0.36 1 164 ALA -0.06 0.38 1 165 GLU -0.44 0.39 1 166 GLN -0.25 0.28 1 167 VAL 1.10 0.36 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6934_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.45 _LACS_plot.Line_1_terminator_val_y_1 0.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.15 _LACS_plot.Line_2_terminator_val_x_2 8.90 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _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 66 ASP -4.76 -0.63 0 21 MET 0.73 -0.26 1 22 PHE -1.72 0.08 1 23 ASN -0.88 0.22 1 24 ASN -2.40 1.01 1 25 ILE -3.30 0.72 1 26 LEU -4.21 0.15 1 27 VAL -1.19 0.85 1 28 VAL -4.63 1.13 1 30 VAL 5.70 -0.33 1 32 ASN 0.05 -0.88 1 33 ILE -0.40 0.42 1 35 ARG 5.38 -0.51 1 36 SER 8.90 -1.01 1 38 THR 7.09 -0.66 1 39 ALA 1.21 -0.72 1 40 GLU 1.67 -0.70 1 41 ARG 3.56 -0.26 1 42 LEU 1.50 -0.45 1 43 LEU 3.36 -0.05 1 44 GLN 2.37 -0.28 1 45 ARG 3.52 -0.31 1 46 TYR 0.16 0.03 1 47 HIS -0.98 0.23 1 49 GLU 0.81 0.11 1 50 LEU -1.99 0.24 1 51 LYS 0.72 0.47 1 52 VAL -2.66 1.12 1 53 GLU -7.45 0.46 1 54 SER -3.39 1.31 1 55 ALA -4.11 0.16 1 57 LEU 0.97 -0.32 1 59 ALA -1.14 -0.41 1 60 LEU 2.27 0.21 1 61 VAL 4.41 -1.07 1 63 LYS 0.02 0.07 1 65 ALA -0.39 0.04 1 68 THR 8.04 -0.52 1 69 ALA 4.74 -0.21 1 70 ILE 5.45 -0.65 1 71 SER 3.87 -0.26 1 72 VAL 5.13 -0.38 1 73 ALA 4.72 -0.36 1 74 ALA 4.27 -0.26 1 75 GLU 2.30 -0.35 1 76 HIS -0.32 -0.13 1 77 GLN 5.60 -0.47 1 78 LEU -3.60 0.25 1 79 SER -1.15 0.02 1 80 LEU -0.72 0.12 1 81 GLU 1.12 -0.29 1 83 HIS 0.07 -0.43 1 85 ALA -0.14 0.19 1 86 ARG -4.78 0.35 1 87 GLN -1.48 0.15 1 88 ILE -0.19 -0.21 1 89 SER -4.58 0.32 1 90 ARG 5.87 -0.53 1 91 ARG 4.13 -0.44 1 92 LEU 2.18 -0.18 1 94 ARG 2.15 0.01 1 95 ASN 0.74 -0.23 1 96 TYR -1.86 -0.06 1 97 ASP -1.64 0.06 1 98 LEU -4.67 0.28 1 99 ILE -2.45 0.91 1 100 LEU -6.78 1.30 1 101 THR -3.86 1.29 1 102 MET -0.35 0.70 1 103 GLU -5.81 0.31 1 104 LYS 6.61 -0.55 1 105 ARG 4.02 -0.14 1 106 HIS -2.34 -0.45 1 107 ILE 6.45 -0.70 1 108 GLU 3.40 -0.38 1 109 ARG 2.74 -0.20 1 110 LEU 3.29 -0.34 1 112 GLU 1.92 -0.29 1 113 MET 1.42 -0.35 1 114 ALA -2.77 0.22 1 116 GLU 3.79 -0.03 1 117 MET 1.13 0.26 1 118 ARG 4.85 -0.23 1 120 LYS -1.07 0.22 1 121 VAL -1.64 1.17 1 122 MET -6.90 0.18 1 123 LEU 0.47 0.22 1 124 PHE 5.53 -0.32 1 126 HIS 1.88 -0.75 1 127 TRP 0.43 -0.58 1 128 ASP -1.14 0.34 1 129 ASN 2.88 -0.55 1 130 GLU 3.73 -0.91 1 132 GLU -2.57 0.19 1 133 ILE -0.31 0.14 1 135 ASP -2.50 -0.56 1 137 TYR 2.27 -0.20 1 138 ARG 6.32 -0.69 1 139 LYS -1.09 0.44 1 140 SER -2.32 0.04 1 141 ARG 6.36 -0.39 1 142 GLU 5.16 -0.21 1 143 THR 7.50 -0.22 1 144 PHE 5.69 -0.75 1 145 ALA 4.23 -0.03 1 146 ALA 3.82 -0.04 1 147 VAL 6.11 -0.52 1 148 TYR 6.35 -0.90 1 149 THR 6.25 -0.47 1 150 LEU 2.60 -0.25 1 151 LEU 3.13 -0.26 1 152 GLU 4.87 -0.52 1 153 ARG 4.03 -0.34 1 154 SER 5.52 0.03 1 155 ALA 2.74 -0.21 1 156 ARG 4.64 -0.84 1 157 GLN 4.37 -0.46 1 158 TRP 4.47 -0.40 1 159 ALA 3.98 -0.30 1 160 GLN 3.44 -0.22 1 161 ALA 2.79 -0.46 1 162 LEU 0.99 0.12 1 163 ASN 0.94 0.05 1 164 ALA -0.06 -0.16 1 165 GLU -0.44 -0.08 1 166 GLN -0.25 0.05 1 167 VAL 1.10 -0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6934_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.45 _LACS_plot.Line_1_terminator_val_y_1 -3.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 7.50 _LACS_plot.Line_2_terminator_val_y_2 2.87 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 ILE -0.19 -4.97 0 77 GLN 5.60 -2.88 0 106 HIS -2.34 3.88 0 21 MET 0.73 -0.96 1 22 PHE -1.72 -2.25 1 23 ASN -0.88 -1.45 1 24 ASN -2.40 -1.01 1 25 ILE -3.30 -4.09 1 26 LEU -4.21 -3.22 1 27 VAL -1.19 -0.95 1 28 VAL -4.63 -0.35 1 30 VAL 5.70 0.55 1 35 ARG 5.38 1.31 1 38 THR 7.09 -0.13 1 39 ALA 1.21 -0.29 1 40 GLU 1.67 0.55 1 41 ARG 3.56 3.64 1 43 LEU 3.36 0.71 1 44 GLN 2.37 2.07 1 45 ARG 3.52 1.76 1 46 TYR 0.16 0.29 1 47 HIS -0.98 3.59 1 49 GLU 0.81 -0.11 1 50 LEU -1.99 -1.52 1 51 LYS 0.72 -2.39 1 52 VAL -2.66 -1.70 1 53 GLU -7.45 -2.02 1 54 SER -3.39 -0.77 1 55 ALA -4.11 -3.19 1 57 LEU 0.97 -0.38 1 59 ALA -1.14 0.28 1 60 LEU 2.27 -2.75 1 61 VAL 4.41 1.21 1 63 LYS 0.02 0.07 1 65 ALA -0.39 -2.08 1 69 ALA 4.74 3.58 1 70 ILE 5.45 1.73 1 71 SER 3.87 3.35 1 72 VAL 5.13 1.73 1 73 ALA 4.72 2.60 1 74 ALA 4.27 3.92 1 75 GLU 2.30 -0.01 1 76 HIS -0.32 -0.54 1 78 LEU -3.60 -2.62 1 79 SER -1.15 0.91 1 80 LEU -0.72 -1.67 1 81 GLU 1.12 1.45 1 83 HIS 0.07 0.03 1 85 ALA -0.14 0.71 1 86 ARG -4.78 -3.03 1 87 GLN -1.48 -0.55 1 89 SER -4.58 -0.33 1 90 ARG 5.87 1.27 1 91 ARG 4.13 2.16 1 92 LEU 2.18 1.42 1 94 ARG 2.15 0.33 1 95 ASN 0.74 -1.49 1 96 TYR -1.86 -2.23 1 97 ASP -1.64 -1.60 1 98 LEU -4.67 -4.15 1 99 ILE -2.45 -2.61 1 100 LEU -6.78 -0.98 1 101 THR -3.86 0.15 1 102 MET -0.35 0.30 1 103 GLU -5.81 0.56 1 104 LYS 6.61 4.03 1 105 ARG 4.02 1.79 1 107 ILE 6.45 1.64 1 108 GLU 3.40 2.55 1 109 ARG 2.74 3.35 1 110 LEU 3.29 0.71 1 112 GLU 1.92 1.21 1 113 MET 1.42 -0.55 1 116 GLU 3.79 0.87 1 117 MET 1.13 -0.06 1 118 ARG 4.85 0.92 1 120 LYS -1.07 -3.48 1 121 VAL -1.64 -0.57 1 122 MET -6.90 -2.04 1 123 LEU 0.47 1.57 1 124 PHE 5.53 1.80 1 126 HIS 1.88 1.42 1 127 TRP 0.43 -0.95 1 128 ASP -1.14 -1.13 1 129 ASN 2.88 -0.95 1 130 GLU 3.73 -3.07 1 132 GLU -2.57 -1.52 1 133 ILE -0.31 -1.61 1 137 TYR 2.27 0.66 1 138 ARG 6.32 -0.20 1 139 LYS -1.09 -0.90 1 140 SER -2.32 1.01 1 141 ARG 6.36 1.79 1 142 GLU 5.16 3.09 1 143 THR 7.50 1.82 1 144 PHE 5.69 3.73 1 145 ALA 4.23 1.45 1 146 ALA 3.82 3.55 1 147 VAL 6.11 0.93 1 148 TYR 6.35 0.67 1 149 THR 6.25 2.44 1 150 LEU 2.60 2.44 1 151 LEU 3.13 0.66 1 152 GLU 4.87 1.09 1 153 ARG 4.03 3.05 1 154 SER 5.52 1.34 1 155 ALA 2.74 1.27 1 156 ARG 4.64 3.04 1 157 GLN 4.37 4.20 1 158 TRP 4.47 2.08 1 159 ALA 3.98 1.80 1 160 GLN 3.44 2.41 1 161 ALA 2.79 1.57 1 162 LEU 0.99 -0.78 1 163 ASN 0.94 -0.05 1 164 ALA -0.06 -0.36 1 165 GLU -0.44 -0.37 1 166 GLN -0.25 -1.16 1 167 VAL 1.10 4.59 1 stop_ save_