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 bmr6947_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.72 _LACS_plot.Line_1_terminator_val_y_1 -3.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.49 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 4.47 _LACS_plot.Y_axis_chem_shift_offset 0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 PHE 2.07 -1.40 0 89 HIS -3.12 0.91 0 124 HIS -3.27 0.96 0 67 VAL -6.61 -5.69 0 10 ALA -0.15 -0.43 1 12 LEU -0.17 -0.47 1 13 LYS 0.20 -0.63 1 14 VAL -0.46 -0.82 1 15 THR -0.38 -0.90 1 18 ARG 4.83 3.92 1 19 LEU 5.12 2.70 1 20 LYS 3.24 0.94 1 21 ILE 6.22 3.81 1 22 LEU 3.94 2.84 1 23 GLU 3.42 2.40 1 24 VAL 5.29 3.32 1 25 LEU 1.91 1.58 1 26 GLN 0.30 -0.19 1 29 ASP 1.87 0.52 1 30 ASN -0.55 -1.32 1 31 HIS 1.50 1.88 1 32 HIS -2.64 -0.67 1 33 VAL -4.58 -2.96 1 34 SER -3.65 -2.04 1 35 ALA 4.66 2.32 1 36 GLU 6.22 4.15 1 37 ASP 3.89 2.31 1 38 LEU 4.85 3.27 1 39 TYR 2.84 2.49 1 40 LYS 4.27 2.64 1 41 ARG 4.31 1.28 1 42 LEU 4.83 2.43 1 43 ILE 4.99 1.59 1 44 ASP 3.87 2.53 1 45 MET -0.10 0.56 1 47 GLU -1.33 -2.05 1 48 GLU -0.38 -1.90 1 49 ILE -3.70 -1.90 1 51 LEU 5.01 2.41 1 52 ALA 4.15 2.11 1 53 THR 6.28 3.71 1 54 VAL 7.30 4.80 1 55 TYR 5.39 4.52 1 56 ARG 4.93 3.07 1 57 VAL 5.72 3.24 1 58 LEU 5.20 2.28 1 59 ASN 4.54 3.04 1 60 GLN 5.35 2.56 1 62 ASP 2.27 2.23 1 63 ASP 3.60 2.53 1 64 ALA -3.18 -1.97 1 66 ILE 1.38 1.60 1 68 THR -1.04 -0.02 1 69 ARG -3.36 -2.36 1 70 HIS -4.26 -1.05 1 71 ASN -1.94 -1.10 1 72 PHE -3.29 -2.10 1 73 GLU 1.21 0.40 1 76 LYS -0.36 -0.66 1 77 SER -1.87 -0.79 1 78 VAL -5.34 -3.14 1 79 PHE -3.07 -0.84 1 80 GLU -7.72 -3.59 1 81 LEU 1.64 -1.24 1 82 THR -1.52 -1.00 1 83 GLN 0.68 -0.13 1 84 GLN -4.12 -2.30 1 85 HIS -2.37 0.84 1 86 HIS -2.67 0.88 1 88 ASP -0.61 -0.94 1 90 LEU -2.59 -2.40 1 91 ILE -3.03 -1.56 1 93 LEU 1.59 -0.29 1 94 ASP 1.39 1.92 1 97 LYS 1.30 1.49 1 98 VAL -1.37 -1.51 1 99 ILE -2.11 -1.43 1 100 GLU -2.62 -2.33 1 101 PHE -3.81 -1.83 1 102 SER -1.69 -0.63 1 103 ASP -4.65 -0.54 1 108 ALA 3.63 2.05 1 109 ARG 3.28 0.50 1 110 GLN 5.39 3.06 1 111 ARG 5.33 3.83 1 112 GLU 2.60 2.08 1 113 ILE 5.05 3.25 1 114 ALA 4.10 2.29 1 115 ALA 3.55 1.94 1 116 LYS 3.62 1.75 1 117 HIS 0.34 0.21 1 119 ILE -3.40 -1.65 1 120 ARG -1.33 -2.30 1 121 LEU 0.79 0.79 1 122 THR -0.08 0.39 1 123 ASN -4.42 -0.19 1 125 SER -2.97 -1.65 1 126 LEU -2.26 -1.01 1 127 TYR -5.29 -1.25 1 128 LEU -4.37 -2.32 1 129 TYR -6.41 -2.88 1 131 HIS -4.23 -1.20 1 133 ALA 1.45 1.37 1 134 GLU -3.25 -1.70 1 136 ASP -1.30 -1.58 1 138 ARG 4.46 2.21 1 139 GLU -1.64 -1.61 1 140 ASP -2.19 -1.97 1 141 GLU 2.08 0.90 1 143 ALA 1.65 1.62 1 145 GLU 0.15 -0.10 1 147 LYS 0.70 0.65 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6947_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.72 _LACS_plot.Line_1_terminator_val_y_1 4.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.51 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 -2.82 _LACS_plot.Y_axis_chem_shift_offset 0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 PHE 2.07 -3.47 0 89 HIS -3.12 4.03 0 124 HIS -3.27 4.23 0 67 VAL -6.61 0.92 0 10 ALA -0.15 -0.28 1 12 LEU -0.17 -0.30 1 13 LYS 0.20 -0.83 1 14 VAL -0.46 -0.36 1 15 THR -0.38 -0.52 1 18 ARG 4.83 -0.91 1 19 LEU 5.12 -2.42 1 20 LYS 3.24 -2.30 1 21 ILE 6.22 -2.41 1 22 LEU 3.94 -1.10 1 23 GLU 3.42 -1.02 1 24 VAL 5.29 -1.97 1 25 LEU 1.91 -0.33 1 26 GLN 0.30 -0.49 1 29 ASP 1.87 -1.35 1 30 ASN -0.55 -0.77 1 31 HIS 1.50 0.38 1 32 HIS -2.64 1.97 1 33 VAL -4.58 1.62 1 34 SER -3.65 1.61 1 35 ALA 4.66 -2.34 1 36 GLU 6.22 -2.07 1 37 ASP 3.89 -1.58 1 38 LEU 4.85 -1.58 1 39 TYR 2.84 -0.35 1 40 LYS 4.27 -1.63 1 41 ARG 4.31 -3.03 1 42 LEU 4.83 -2.40 1 43 ILE 4.99 -3.40 1 44 ASP 3.87 -1.34 1 45 MET -0.10 0.66 1 47 GLU -1.33 -0.72 1 48 GLU -0.38 -1.52 1 49 ILE -3.70 1.80 1 51 LEU 5.01 -2.60 1 52 ALA 4.15 -2.04 1 53 THR 6.28 -2.57 1 54 VAL 7.30 -2.50 1 55 TYR 5.39 -0.87 1 56 ARG 4.93 -1.86 1 57 VAL 5.72 -2.48 1 58 LEU 5.20 -2.92 1 59 ASN 4.54 -1.50 1 60 GLN 5.35 -2.79 1 62 ASP 2.27 -0.04 1 63 ASP 3.60 -1.07 1 64 ALA -3.18 1.21 1 66 ILE 1.38 0.22 1 68 THR -1.04 1.02 1 69 ARG -3.36 1.00 1 70 HIS -4.26 3.21 1 71 ASN -1.94 0.84 1 72 PHE -3.29 1.19 1 73 GLU 1.21 -0.81 1 76 LYS -0.36 -0.30 1 77 SER -1.87 1.08 1 78 VAL -5.34 2.20 1 79 PHE -3.07 2.23 1 80 GLU -7.72 4.13 1 81 LEU 1.64 -2.88 1 82 THR -1.52 0.52 1 83 GLN 0.68 -0.81 1 84 GLN -4.12 1.82 1 85 HIS -2.37 3.21 1 86 HIS -2.67 3.55 1 88 ASP -0.61 -0.33 1 90 LEU -2.59 0.19 1 91 ILE -3.03 1.47 1 93 LEU 1.59 -1.88 1 94 ASP 1.39 0.53 1 97 LYS 1.30 0.19 1 98 VAL -1.37 -0.14 1 99 ILE -2.11 0.68 1 100 GLU -2.62 0.29 1 101 PHE -3.81 1.98 1 102 SER -1.69 1.06 1 103 ASP -4.65 4.11 1 108 ALA 3.63 -1.58 1 109 ARG 3.28 -2.78 1 110 GLN 5.39 -2.33 1 111 ARG 5.33 -1.50 1 112 GLU 2.60 -0.52 1 113 ILE 5.05 -1.80 1 114 ALA 4.10 -1.81 1 115 ALA 3.55 -1.61 1 116 LYS 3.62 -1.87 1 117 HIS 0.34 -0.13 1 119 ILE -3.40 1.75 1 120 ARG -1.33 -0.97 1 121 LEU 0.79 0.00 1 122 THR -0.08 0.47 1 123 ASN -4.42 4.23 1 125 SER -2.97 1.32 1 126 LEU -2.26 1.25 1 127 TYR -5.29 4.04 1 128 LEU -4.37 2.05 1 129 TYR -6.41 3.53 1 131 HIS -4.23 3.03 1 133 ALA 1.45 -0.08 1 134 GLU -3.25 1.55 1 136 ASP -1.30 -0.28 1 138 ARG 4.46 -2.25 1 139 GLU -1.64 0.03 1 140 ASP -2.19 0.22 1 141 GLU 2.08 -1.18 1 143 ALA 1.65 -0.03 1 145 GLU 0.15 -0.25 1 147 LYS 0.70 -0.05 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6947_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.61 _LACS_plot.Line_1_terminator_val_y_1 0.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.10 _LACS_plot.Line_2_terminator_val_x_2 6.28 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 ILE 1.38 -0.77 0 10 ALA -0.15 0.02 1 12 LEU -0.17 0.00 1 13 LYS 0.20 0.04 1 14 VAL -0.46 0.08 1 15 THR -0.38 0.09 1 19 LEU 5.12 -0.29 1 21 ILE 6.22 -0.59 1 22 LEU 3.94 -0.39 1 23 GLU 3.42 -0.42 1 24 VAL 5.29 -0.34 1 26 GLN 0.30 -0.14 1 29 ASP 1.87 -0.12 1 30 ASN -0.55 0.13 1 31 HIS 1.50 -0.19 1 32 HIS -2.64 0.22 1 33 VAL -4.58 0.74 1 35 ALA 4.66 -0.81 1 38 LEU 4.85 -0.50 1 43 ILE 4.99 -0.25 1 44 ASP 3.87 -0.25 1 49 ILE -3.70 0.20 1 52 ALA 4.15 -0.38 1 53 THR 6.28 -0.58 1 64 ALA -3.18 0.18 1 67 VAL -6.61 0.87 1 68 THR -1.04 -0.03 1 78 VAL -5.34 0.33 1 82 THR -1.52 0.02 1 83 GLN 0.68 -0.14 1 84 GLN -4.12 0.20 1 99 ILE -2.11 0.06 1 100 GLU -2.62 0.63 1 102 SER -1.69 0.08 1 108 ALA 3.63 -0.27 1 112 GLU 2.60 -0.25 1 114 ALA 4.10 -0.35 1 115 ALA 3.55 -0.15 1 116 LYS 3.62 -0.29 1 121 LEU 0.79 -0.19 1 133 ALA 1.45 -0.15 1 134 GLU -3.25 0.17 1 139 GLU -1.64 0.07 1 141 GLU 2.08 -0.23 1 143 ALA 1.65 -0.41 1 145 GLU 0.15 0.03 1 147 LYS 0.70 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6947_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.72 _LACS_plot.Line_1_terminator_val_y_1 -3.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 2.66 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 129 TYR -6.41 0.29 0 80 GLU -7.72 -0.62 0 60 GLN 5.35 5.34 0 43 ILE 4.99 5.30 0 81 LEU 1.64 -3.83 0 10 ALA -0.15 0.36 1 12 LEU -0.17 -0.34 1 13 LYS 0.20 -0.27 1 14 VAL -0.46 -0.11 1 15 THR -0.38 -0.42 1 18 ARG 4.83 1.35 1 19 LEU 5.12 2.13 1 20 LYS 3.24 1.60 1 21 ILE 6.22 0.85 1 22 LEU 3.94 0.66 1 23 GLU 3.42 3.38 1 24 VAL 5.29 2.90 1 25 LEU 1.91 -0.51 1 26 GLN 0.30 0.65 1 29 ASP 1.87 -0.16 1 30 ASN -0.55 -1.95 1 31 HIS 1.50 0.82 1 32 HIS -2.64 1.07 1 33 VAL -4.58 -1.56 1 34 SER -3.65 0.31 1 35 ALA 4.66 1.23 1 36 GLU 6.22 2.50 1 37 ASP 3.89 2.75 1 38 LEU 4.85 0.52 1 39 TYR 2.84 -0.19 1 40 LYS 4.27 1.91 1 41 ARG 4.31 2.21 1 42 LEU 4.83 1.81 1 44 ASP 3.87 1.93 1 45 MET -0.10 0.14 1 47 GLU -1.33 -0.75 1 48 GLU -0.38 -1.72 1 49 ILE -3.70 -2.32 1 51 LEU 5.01 0.74 1 52 ALA 4.15 3.15 1 53 THR 6.28 0.39 1 54 VAL 7.30 1.39 1 55 TYR 5.39 1.68 1 56 ARG 4.93 2.33 1 57 VAL 5.72 0.77 1 58 LEU 5.20 1.11 1 59 ASN 4.54 2.35 1 61 PHE 2.07 2.21 1 62 ASP 2.27 2.86 1 63 ASP 3.60 1.26 1 64 ALA -3.18 -0.66 1 66 ILE 1.38 -0.82 1 67 VAL -6.61 -1.80 1 68 THR -1.04 -2.64 1 69 ARG -3.36 -1.88 1 70 HIS -4.26 -0.22 1 71 ASN -1.94 -1.05 1 72 PHE -3.29 -0.16 1 73 GLU 1.21 0.62 1 76 LYS -0.36 -0.83 1 77 SER -1.87 -0.79 1 78 VAL -5.34 -3.19 1 79 PHE -3.07 -1.70 1 82 THR -1.52 -2.27 1 83 GLN 0.68 -0.13 1 84 GLN -4.12 -0.68 1 85 HIS -2.37 2.67 1 86 HIS -2.67 2.30 1 88 ASP -0.61 -1.61 1 89 HIS -3.12 -1.55 1 90 LEU -2.59 -4.42 1 91 ILE -3.03 -1.89 1 93 LEU 1.59 -2.52 1 94 ASP 1.39 0.27 1 97 LYS 1.30 -2.89 1 98 VAL -1.37 -0.59 1 99 ILE -2.11 -0.98 1 100 GLU -2.62 -0.22 1 101 PHE -3.81 -3.83 1 102 SER -1.69 -1.41 1 103 ASP -4.65 -1.40 1 108 ALA 3.63 3.00 1 109 ARG 3.28 2.51 1 110 GLN 5.39 1.77 1 111 ARG 5.33 3.08 1 112 GLU 2.60 2.84 1 113 ILE 5.05 1.56 1 114 ALA 4.10 2.26 1 116 LYS 3.62 -0.14 1 117 HIS 0.34 1.17 1 119 ILE -3.40 -2.32 1 120 ARG -1.33 -1.45 1 121 LEU 0.79 -0.57 1 122 THR -0.08 -0.02 1 123 ASN -4.42 -2.37 1 124 HIS -3.27 -2.08 1 125 SER -2.97 -1.61 1 126 LEU -2.26 -3.48 1 127 TYR -5.29 -1.26 1 128 LEU -4.37 -3.05 1 131 HIS -4.23 -0.37 1 133 ALA 1.45 -0.54 1 134 GLU -3.25 -1.46 1 136 ASP -1.30 0.11 1 138 ARG 4.46 1.43 1 139 GLU -1.64 -1.18 1 140 ASP -2.19 -0.08 1 141 GLU 2.08 0.40 1 143 ALA 1.65 1.14 1 145 GLU 0.15 0.66 1 147 LYS 0.70 -3.14 1 stop_ save_