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 bmr6613_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.48 _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 0.70 _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 7.94 _LACS_plot.Line_2_terminator_val_y_2 6.11 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 156 LEU 2.58 -2.04 0 41 HIS 4.20 5.35 0 79 TYR 5.20 -0.36 0 56 LEU -9.48 -1.32 0 25 ALA -4.86 -1.80 1 26 VAL -2.70 -1.28 1 27 TYR -0.62 -0.45 1 28 VAL -4.50 -3.49 1 30 ASN 0.79 0.35 1 31 TYR -4.18 -0.62 1 32 LYS -4.63 -2.05 1 33 VAL -0.85 -1.17 1 34 VAL -8.98 -4.35 1 35 ASN 1.79 1.66 1 36 ARG 7.94 2.50 1 37 HIS 5.02 3.36 1 38 LEU -1.62 -1.74 1 39 ALA -0.75 0.21 1 40 THR -3.44 -1.09 1 42 VAL 4.50 3.61 1 43 ASP 4.03 3.28 1 44 TRP 4.10 3.92 1 45 GLN 3.61 3.00 1 46 ASN -1.38 -0.80 1 48 VAL -1.12 -0.06 1 49 TRP -2.03 0.60 1 50 GLU -1.66 -1.56 1 51 ASP -4.10 -0.80 1 52 TYR 1.87 3.85 1 53 ASN 3.32 2.68 1 54 ARG -3.32 -0.58 1 55 ASP 2.21 2.22 1 57 LEU -2.18 1.15 1 58 VAL -3.54 -1.59 1 59 SER -5.62 -2.37 1 60 THR -0.44 0.15 1 61 THR -2.50 -1.95 1 62 THR 0.91 0.01 1 63 ALA -2.38 -1.09 1 64 HIS 0.28 1.36 1 67 ASP -0.75 1.28 1 68 THR -3.71 -1.96 1 69 ILE 0.13 -1.64 1 70 ALA -0.34 1.19 1 71 ARG 0.34 -1.97 1 73 GLN -1.21 -1.64 1 75 THR -0.00 -1.12 1 76 THR -5.50 -2.88 1 78 VAL -1.89 -1.12 1 83 SER -2.99 -3.52 1 84 LYS -2.65 -1.59 1 85 SER 1.96 0.33 1 86 LYS -5.71 -1.54 1 87 HIS -1.25 1.39 1 88 TYR -3.87 -0.19 1 90 VAL -6.16 -2.46 1 91 SER -1.96 -1.33 1 92 PHE -6.33 -3.34 1 93 GLU -5.91 -2.07 1 97 LEU -2.26 -0.70 1 98 VAL -5.22 -1.51 1 99 GLU -0.24 -0.13 1 100 VAL -1.70 -0.86 1 101 GLN 0.46 0.03 1 102 GLU 0.29 0.98 1 103 SER -5.28 -1.68 1 104 GLU 2.45 1.69 1 105 TYR -0.93 0.44 1 106 TYR -4.13 -0.68 1 108 LYS 2.15 1.32 1 109 ARG -2.09 -1.20 1 110 TYR 0.30 0.13 1 111 GLN -3.01 -0.71 1 112 SER -2.71 -0.84 1 113 HIS 4.83 3.82 1 114 VAL -1.14 -0.48 1 115 LEU -2.99 -2.93 1 116 LEU -5.09 -0.89 1 117 ALA -7.40 -1.76 1 118 THR 0.54 0.61 1 120 PHE -0.19 0.68 1 121 SER 2.70 -1.62 1 125 ASP 0.17 -0.47 1 129 ILE 0.00 -0.08 1 130 LEU -2.86 -1.78 1 131 ARG -1.74 -0.97 1 133 GLU 2.14 1.59 1 134 HIS 2.93 3.41 1 136 VAL 2.05 2.07 1 137 ILE 0.30 1.63 1 139 LEU -6.11 -1.91 1 141 THR -1.85 -0.87 1 142 MET -1.78 -1.17 1 145 GLU 2.65 0.83 1 147 VAL -4.95 -2.15 1 148 VAL -4.15 -2.30 1 150 PHE -4.57 -2.63 1 151 ALA -0.74 -1.07 1 152 ASP -0.57 0.76 1 153 VAL -1.63 -2.06 1 154 ARG 3.84 3.58 1 155 ASP 0.77 -0.80 1 157 LEU 3.52 2.13 1 158 TRP 0.55 -1.76 1 159 LEU 1.85 1.40 1 160 GLU -2.74 -0.91 1 161 ASP 0.39 0.63 1 162 ASP 0.22 0.35 1 163 ALA -0.05 0.15 1 164 MET 0.05 0.19 1 165 GLU -0.34 0.04 1 166 GLN 0.58 1.67 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6613_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.48 _LACS_plot.Line_1_terminator_val_y_1 5.91 _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 0.67 _LACS_plot.Line_2_terminator_val_x_2 7.94 _LACS_plot.Line_2_terminator_val_y_2 -1.83 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 156 LEU 2.58 -4.62 0 41 HIS 4.20 1.15 0 79 TYR 5.20 -5.56 0 56 LEU -9.48 8.16 0 25 ALA -4.86 3.06 1 26 VAL -2.70 1.42 1 27 TYR -0.62 0.17 1 28 VAL -4.50 1.01 1 30 ASN 0.79 -0.44 1 31 TYR -4.18 3.56 1 32 LYS -4.63 2.58 1 33 VAL -0.85 -0.32 1 34 VAL -8.98 4.63 1 35 ASN 1.79 -0.13 1 36 ARG 7.94 -5.44 1 37 HIS 5.02 -1.66 1 38 LEU -1.62 -0.12 1 39 ALA -0.75 0.96 1 40 THR -3.44 2.35 1 42 VAL 4.50 -0.89 1 43 ASP 4.03 -0.75 1 44 TRP 4.10 -0.18 1 45 GLN 3.61 -0.61 1 46 ASN -1.38 0.58 1 48 VAL -1.12 1.06 1 49 TRP -2.03 2.63 1 50 GLU -1.66 0.10 1 51 ASP -4.10 3.30 1 52 TYR 1.87 1.98 1 53 ASN 3.32 -0.64 1 54 ARG -3.32 2.74 1 55 ASP 2.21 0.01 1 57 LEU -2.18 3.33 1 58 VAL -3.54 1.95 1 59 SER -5.62 3.25 1 60 THR -0.44 0.59 1 61 THR -2.50 0.55 1 62 THR 0.91 -0.90 1 63 ALA -2.38 1.29 1 64 HIS 0.28 1.08 1 67 ASP -0.75 2.03 1 68 THR -3.71 1.75 1 69 ILE 0.13 -1.77 1 70 ALA -0.34 1.53 1 71 ARG 0.34 -2.31 1 73 GLN -1.21 -0.43 1 75 THR -0.00 -1.12 1 76 THR -5.50 2.62 1 78 VAL -1.89 0.77 1 83 SER -2.99 -0.53 1 84 LYS -2.65 1.06 1 85 SER 1.96 -1.63 1 86 LYS -5.71 4.17 1 87 HIS -1.25 2.64 1 88 TYR -3.87 3.68 1 90 VAL -6.16 3.70 1 91 SER -1.96 0.63 1 92 PHE -6.33 2.99 1 93 GLU -5.91 3.84 1 97 LEU -2.26 1.56 1 98 VAL -5.22 3.71 1 99 GLU -0.24 0.11 1 100 VAL -1.70 0.84 1 101 GLN 0.46 -0.43 1 102 GLU 0.29 0.69 1 103 SER -5.28 3.60 1 104 GLU 2.45 -0.76 1 105 TYR -0.93 1.37 1 106 TYR -4.13 3.45 1 108 LYS 2.15 -0.83 1 109 ARG -2.09 0.89 1 110 TYR 0.30 -0.17 1 111 GLN -3.01 2.30 1 112 SER -2.71 1.87 1 113 HIS 4.83 -1.01 1 114 VAL -1.14 0.66 1 115 LEU -2.99 0.06 1 116 LEU -5.09 4.20 1 117 ALA -7.40 5.64 1 118 THR 0.54 0.07 1 120 PHE -0.19 0.87 1 121 SER 2.70 -4.32 1 125 ASP 0.17 -0.64 1 129 ILE 0.00 -0.08 1 130 LEU -2.86 1.08 1 131 ARG -1.74 0.77 1 133 GLU 2.14 -0.55 1 134 HIS 2.93 0.48 1 136 VAL 2.05 0.02 1 137 ILE 0.30 1.33 1 139 LEU -6.11 4.20 1 141 THR -1.85 0.98 1 142 MET -1.78 0.61 1 145 GLU 2.65 -1.82 1 147 VAL -4.95 2.80 1 148 VAL -4.15 1.85 1 150 PHE -4.57 1.94 1 151 ALA -0.74 -0.33 1 152 ASP -0.57 1.33 1 153 VAL -1.63 -0.43 1 154 ARG 3.84 -0.26 1 155 ASP 0.77 -1.57 1 157 LEU 3.52 -1.39 1 158 TRP 0.55 -2.31 1 159 LEU 1.85 -0.45 1 160 GLU -2.74 1.83 1 161 ASP 0.39 0.24 1 162 ASP 0.22 0.13 1 163 ALA -0.05 0.20 1 164 MET 0.05 0.14 1 165 GLU -0.34 0.38 1 166 GLN 0.58 1.09 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6613_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.48 _LACS_plot.Line_1_terminator_val_y_1 1.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _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 5.19 _LACS_plot.Line_2_terminator_val_y_2 -0.57 _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 79 TYR 5.20 0.74 0 25 ALA -4.86 0.39 1 26 VAL -2.70 0.15 1 27 TYR -0.62 0.64 1 28 VAL -4.50 0.27 1 30 ASN 0.79 0.22 1 31 TYR -4.18 1.06 1 32 LYS -4.63 0.64 1 33 VAL -0.85 0.60 1 34 VAL -8.98 0.65 1 35 ASN 1.79 0.27 1 37 HIS 5.02 -0.32 1 38 LEU -1.62 0.01 1 39 ALA -0.75 -0.04 1 40 THR -3.44 0.36 1 41 HIS 4.20 -0.12 1 42 VAL 4.50 -0.43 1 43 ASP 4.03 -0.35 1 44 TRP 4.10 -0.51 1 45 GLN 3.61 -0.19 1 46 ASN -1.38 0.29 1 48 VAL -1.12 0.46 1 49 TRP -2.03 0.04 1 50 GLU -1.66 -0.21 1 51 ASP -4.10 -0.05 1 52 TYR 1.87 -0.54 1 53 ASN 3.32 -0.30 1 54 ARG -3.32 0.34 1 55 ASP 2.21 -0.44 1 56 LEU -9.48 0.87 1 57 LEU -2.18 0.15 1 58 VAL -3.54 1.40 1 59 SER -5.62 1.08 1 60 THR -0.44 0.80 1 61 THR -2.50 0.48 1 62 THR 0.91 -0.01 1 63 ALA -2.38 0.07 1 64 HIS 0.28 -0.31 1 67 ASP -0.75 0.34 1 68 THR -3.71 0.34 1 69 ILE 0.13 -0.12 1 70 ALA -0.34 -0.52 1 73 GLN -1.21 0.33 1 75 THR -0.00 -0.58 1 76 THR -5.50 0.78 1 78 VAL -1.89 1.08 1 83 SER -2.99 0.08 1 84 LYS -2.65 0.07 1 85 SER 1.96 -0.74 1 86 LYS -5.71 0.27 1 87 HIS -1.25 0.42 1 88 TYR -3.87 0.32 1 90 VAL -6.16 0.92 1 91 SER -1.96 0.71 1 92 PHE -6.33 1.15 1 93 GLU -5.91 0.57 1 97 LEU -2.26 0.83 1 98 VAL -5.22 0.32 1 99 GLU -0.24 -0.37 1 100 VAL -1.70 0.03 1 101 GLN 0.46 -0.28 1 102 GLU 0.29 -0.22 1 103 SER -5.28 0.39 1 104 GLU 2.45 -0.34 1 105 TYR -0.93 -0.26 1 106 TYR -4.13 0.28 1 108 LYS 2.15 0.15 1 109 ARG -2.09 0.39 1 110 TYR 0.30 0.43 1 111 GLN -3.01 0.29 1 112 SER -2.71 0.37 1 113 HIS 4.83 -1.06 1 114 VAL -1.14 0.77 1 115 LEU -2.99 0.93 1 116 LEU -5.09 0.84 1 117 ALA -7.40 0.85 1 118 THR 0.54 0.42 1 120 PHE -0.19 -0.33 1 121 SER 2.70 -0.11 1 125 ASP 0.17 -0.47 1 129 ILE 0.00 -0.41 1 130 LEU -2.86 0.58 1 131 ARG -1.74 0.32 1 133 GLU 2.14 -0.35 1 134 HIS 2.93 -0.18 1 136 VAL 2.05 -0.24 1 137 ILE 0.30 -0.20 1 139 LEU -6.11 1.23 1 141 THR -1.85 0.47 1 142 MET -1.78 0.30 1 145 GLU 2.65 -0.17 1 147 VAL -4.95 0.89 1 148 VAL -4.15 0.15 1 150 PHE -4.57 0.46 1 151 ALA -0.74 0.61 1 152 ASP -0.57 0.04 1 153 VAL -1.63 0.42 1 154 ARG 3.84 -0.47 1 155 ASP 0.77 -0.11 1 156 LEU 2.58 -0.34 1 157 LEU 3.52 -0.63 1 158 TRP 0.55 -0.22 1 159 LEU 1.85 -0.69 1 160 GLU -2.74 0.03 1 161 ASP 0.39 0.04 1 162 ASP 0.22 0.02 1 163 ALA -0.05 0.04 1 164 MET 0.05 -0.02 1 165 GLU -0.34 -0.04 1 166 GLN 0.58 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6613_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.48 _LACS_plot.Line_1_terminator_val_y_1 -2.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.08 _LACS_plot.Line_2_terminator_val_x_2 7.94 _LACS_plot.Line_2_terminator_val_y_2 1.65 _LACS_plot.Y_axis_chem_shift_offset 0.53 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 166 GLN 0.58 4.60 0 25 ALA -4.86 -3.51 1 26 VAL -2.70 -2.11 1 27 TYR -0.62 -1.94 1 28 VAL -4.50 -1.10 1 30 ASN 0.79 -1.45 1 31 TYR -4.18 -1.05 1 32 LYS -4.63 -2.19 1 33 VAL -0.85 -2.21 1 34 VAL -8.98 -4.16 1 35 ASN 1.79 2.00 1 36 ARG 7.94 2.05 1 37 HIS 5.02 -0.08 1 38 LEU -1.62 -0.83 1 39 ALA -0.75 0.20 1 40 THR -3.44 0.99 1 41 HIS 4.20 4.14 1 42 VAL 4.50 1.34 1 43 ASP 4.03 2.92 1 44 TRP 4.10 3.92 1 45 GLN 3.61 1.14 1 46 ASN -1.38 -0.98 1 48 VAL -1.12 -0.91 1 49 TRP -2.03 -3.70 1 50 GLU -1.66 -3.73 1 51 ASP -4.10 0.73 1 52 TYR 1.87 1.61 1 53 ASN 3.32 -0.23 1 54 ARG -3.32 -0.09 1 55 ASP 2.21 -1.01 1 56 LEU -9.48 -2.90 1 57 LEU -2.18 -4.89 1 58 VAL -3.54 -1.30 1 59 SER -5.62 0.04 1 60 THR -0.44 -0.02 1 61 THR -2.50 -0.55 1 62 THR 0.91 -0.13 1 63 ALA -2.38 -2.01 1 64 HIS 0.28 1.96 1 67 ASP -0.75 -2.01 1 68 THR -3.71 -1.69 1 69 ILE 0.13 -0.67 1 70 ALA -0.34 -0.57 1 71 ARG 0.34 -0.82 1 73 GLN -1.21 0.79 1 75 THR -0.00 -2.78 1 76 THR -5.50 -1.45 1 78 VAL -1.89 -0.82 1 83 SER -2.99 2.55 1 84 LYS -2.65 -1.26 1 85 SER 1.96 -1.03 1 86 LYS -5.71 -3.02 1 87 HIS -1.25 1.18 1 90 VAL -6.16 -1.67 1 91 SER -1.96 -0.82 1 92 PHE -6.33 -1.40 1 93 GLU -5.91 -1.07 1 97 LEU -2.26 0.48 1 98 VAL -5.22 -2.62 1 99 GLU -0.24 -1.93 1 100 VAL -1.70 -0.93 1 101 GLN 0.46 -0.35 1 102 GLU 0.29 -1.66 1 103 SER -5.28 -0.48 1 104 GLU 2.45 -0.10 1 105 TYR -0.93 -0.80 1 106 TYR -4.13 -2.50 1 108 LYS 2.15 0.32 1 109 ARG -2.09 -2.64 1 110 TYR 0.30 -0.35 1 111 GLN -3.01 -1.88 1 112 SER -2.71 -1.20 1 113 HIS 4.83 -0.53 1 114 VAL -1.14 0.93 1 115 LEU -2.99 -1.94 1 116 LEU -5.09 -1.44 1 117 ALA -7.40 -1.79 1 118 THR 0.54 0.00 1 120 PHE -0.19 -3.23 1 121 SER 2.70 -1.16 1 130 LEU -2.86 -2.75 1 131 ARG -1.74 -2.27 1 133 GLU 2.14 0.04 1 134 HIS 2.93 1.05 1 136 VAL 2.05 -1.24 1 137 ILE 0.30 -1.24 1 139 LEU -6.11 0.27 1 141 THR -1.85 -3.96 1 142 MET -1.78 -2.03 1 145 GLU 2.65 0.02 1 147 VAL -4.95 -2.60 1 148 VAL -4.15 -4.64 1 150 PHE -4.57 -1.54 1 151 ALA -0.74 -1.88 1 152 ASP -0.57 1.85 1 153 VAL -1.63 0.79 1 154 ARG 3.84 -0.06 1 155 ASP 0.77 1.10 1 156 LEU 2.58 -0.71 1 157 LEU 3.52 0.08 1 158 TRP 0.55 0.81 1 159 LEU 1.85 -0.97 1 160 GLU -2.74 -0.24 1 161 ASP 0.39 0.02 1 162 ASP 0.22 -0.01 1 163 ALA -0.05 0.03 1 164 MET 0.05 -0.08 1 165 GLU -0.34 -1.02 1 stop_ save_