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 bmr11111_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 -2.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.76 _LACS_plot.Line_2_terminator_val_x_2 4.58 _LACS_plot.Line_2_terminator_val_y_2 1.94 _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 81 HIS -5.20 1.49 0 10 HIS -0.46 1.46 1 12 THR 0.09 0.16 1 13 THR 0.20 0.17 1 14 PHE -0.32 -0.27 1 15 GLU -1.77 -0.36 1 16 LEU -3.83 -1.23 1 17 VAL 3.45 1.05 1 19 THR 0.11 -1.05 1 20 SER -0.19 0.78 1 23 LYS -4.56 -1.33 1 24 ASP 2.50 0.80 1 25 VAL 3.08 1.58 1 26 THR -4.29 -1.20 1 27 VAL -2.83 -1.31 1 28 VAL -6.44 -3.15 1 29 SER 0.23 0.85 1 30 LYS -0.74 -0.37 1 31 GLU 2.82 2.06 1 33 LYS -2.00 -1.48 1 35 LYS 1.34 0.64 1 36 THR -0.95 -0.43 1 37 ILE -5.48 -2.97 1 38 ILE -1.32 -0.66 1 39 VAL -3.00 -2.24 1 40 ASN -4.96 -0.51 1 41 TRP -1.31 -0.19 1 42 GLN -2.60 -1.23 1 45 SER 3.06 2.35 1 46 GLU -0.91 -2.83 1 47 ALA 2.05 2.60 1 48 ASN 2.40 0.71 1 50 LYS 0.57 0.14 1 51 ILE 1.17 -1.17 1 52 THR -0.11 -0.96 1 54 TYR -6.06 -1.50 1 55 ILE -0.61 1.04 1 56 ILE -1.28 -0.69 1 57 TYR -5.19 -2.41 1 58 TYR -6.16 -1.52 1 59 SER -3.08 -2.99 1 60 THR 0.72 -0.03 1 61 ASP -3.17 -1.74 1 62 VAL 3.48 1.29 1 63 ASN -0.83 -0.26 1 64 ALA 0.92 0.19 1 65 GLU 0.37 0.43 1 66 ILE 1.06 0.36 1 67 HIS 2.83 3.01 1 68 ASP -0.21 0.40 1 69 TRP 2.64 1.21 1 70 VAL 3.15 1.40 1 71 ILE -1.44 -0.12 1 72 GLU -4.07 -1.47 1 74 VAL -1.97 -0.60 1 75 VAL 2.14 1.33 1 77 ASN 0.82 -1.02 1 78 ARG -2.38 -0.74 1 79 LEU -0.78 -2.19 1 80 THR -4.32 -3.35 1 82 GLN -3.32 -1.70 1 83 ILE -1.48 -0.19 1 84 GLN -3.86 -0.98 1 85 GLU 3.64 0.35 1 86 LEU 1.68 0.05 1 87 THR 0.94 0.81 1 88 LEU 2.00 0.62 1 89 ASP -0.14 -0.06 1 90 THR -2.93 0.99 1 92 TYR -6.79 -0.23 1 93 TYR -4.66 -1.56 1 94 PHE -4.18 -0.45 1 95 LYS -4.68 -0.31 1 96 ILE -3.70 -1.72 1 97 GLN -6.89 -1.54 1 98 ALA -5.39 -1.63 1 99 ARG -5.12 -1.55 1 100 ASN -3.37 -1.51 1 101 SER 4.59 3.57 1 102 LYS -0.10 -1.14 1 104 MET -1.97 -0.41 1 107 MET -2.00 -0.38 1 108 SER -0.67 0.45 1 109 GLU -0.10 -0.08 1 110 ALA 0.04 0.14 1 111 VAL -3.17 -1.21 1 112 GLN -3.26 -1.33 1 113 PHE -3.54 0.73 1 114 ARG -2.94 -2.22 1 115 THR 2.02 0.23 1 117 LYS -0.74 0.26 1 118 ALA -0.26 0.12 1 119 SER -0.50 -0.14 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11111_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.89 _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 -1.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.24 _LACS_plot.Line_2_terminator_val_x_2 4.58 _LACS_plot.Line_2_terminator_val_y_2 -2.64 _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 81 HIS -5.20 6.69 0 10 HIS -0.46 1.92 1 12 THR 0.09 0.07 1 13 THR 0.20 -0.03 1 14 PHE -0.32 0.05 1 15 GLU -1.77 1.41 1 16 LEU -3.83 2.60 1 17 VAL 3.45 -2.40 1 19 THR 0.11 -1.16 1 20 SER -0.19 0.97 1 23 LYS -4.56 3.23 1 24 ASP 2.50 -1.70 1 25 VAL 3.08 -1.50 1 26 THR -4.29 3.09 1 27 VAL -2.83 1.52 1 28 VAL -6.44 3.29 1 29 SER 0.23 0.62 1 30 LYS -0.74 0.37 1 31 GLU 2.82 -0.76 1 33 LYS -2.00 0.52 1 35 LYS 1.34 -0.70 1 36 THR -0.95 0.52 1 37 ILE -5.48 2.51 1 38 ILE -1.32 0.66 1 39 VAL -3.00 0.76 1 40 ASN -4.96 4.45 1 41 TRP -1.31 1.12 1 42 GLN -2.60 1.37 1 45 SER 3.06 -0.71 1 46 GLU -0.91 -1.92 1 47 ALA 2.05 0.55 1 48 ASN 2.40 -1.69 1 50 LYS 0.57 -0.43 1 51 ILE 1.17 -2.34 1 52 THR -0.11 -0.85 1 54 TYR -6.06 4.56 1 55 ILE -0.61 1.65 1 56 ILE -1.28 0.59 1 57 TYR -5.19 2.78 1 58 TYR -6.16 4.64 1 59 SER -3.08 0.09 1 60 THR 0.72 -0.75 1 61 ASP -3.17 1.43 1 62 VAL 3.48 -2.19 1 63 ASN -0.83 0.57 1 64 ALA 0.92 -0.73 1 65 GLU 0.37 0.06 1 66 ILE 1.06 -0.70 1 67 HIS 2.83 0.18 1 68 ASP -0.21 0.61 1 69 TRP 2.64 -1.43 1 70 VAL 3.15 -1.75 1 71 ILE -1.44 1.32 1 72 GLU -4.07 2.60 1 74 VAL -1.97 1.37 1 75 VAL 2.14 -0.81 1 77 ASN 0.82 -1.84 1 78 ARG -2.38 1.64 1 79 LEU -0.78 -1.41 1 80 THR -4.32 0.97 1 82 GLN -3.32 1.62 1 83 ILE -1.48 1.29 1 84 GLN -3.86 2.88 1 85 GLU 3.64 -3.29 1 86 LEU 1.68 -1.63 1 87 THR 0.94 -0.13 1 88 LEU 2.00 -1.38 1 89 ASP -0.14 0.08 1 90 THR -2.93 3.92 1 92 TYR -6.79 6.56 1 93 TYR -4.66 3.10 1 94 PHE -4.18 3.73 1 95 LYS -4.68 4.37 1 96 ILE -3.70 1.98 1 97 GLN -6.89 5.35 1 98 ALA -5.39 3.76 1 99 ARG -5.12 3.57 1 100 ASN -3.37 1.86 1 101 SER 4.59 -1.02 1 102 LYS -0.10 -1.04 1 104 MET -1.97 1.56 1 107 MET -2.00 1.62 1 108 SER -0.67 1.12 1 109 GLU -0.10 0.02 1 110 ALA 0.04 0.10 1 111 VAL -3.17 1.96 1 112 GLN -3.26 1.93 1 113 PHE -3.54 4.27 1 114 ARG -2.94 0.72 1 115 THR 2.02 -1.79 1 117 LYS -0.74 1.00 1 118 ALA -0.26 0.38 1 119 SER -0.50 0.36 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11111_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 0.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 4.58 _LACS_plot.Line_2_terminator_val_y_2 -0.52 _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 LEU -0.78 -1.28 0 10 HIS -0.46 -0.14 1 12 THR 0.09 0.02 1 13 THR 0.20 -0.07 1 14 PHE -0.32 0.07 1 15 GLU -1.77 0.07 1 16 LEU -3.83 0.28 1 17 VAL 3.45 -0.11 1 19 THR 0.11 0.11 1 20 SER -0.19 0.17 1 23 LYS -4.56 0.34 1 24 ASP 2.50 -0.45 1 25 VAL 3.08 0.47 1 26 THR -4.29 0.32 1 27 VAL -2.83 0.40 1 28 VAL -6.44 0.25 1 29 SER 0.23 0.03 1 30 LYS -0.74 -0.24 1 31 GLU 2.82 -0.41 1 33 LYS -2.00 0.34 1 35 LYS 1.34 -0.14 1 36 THR -0.95 0.93 1 37 ILE -5.48 0.63 1 38 ILE -1.32 0.15 1 39 VAL -3.00 0.66 1 40 ASN -4.96 0.71 1 41 TRP -1.31 0.34 1 42 GLN -2.60 0.20 1 45 SER 3.06 -0.22 1 46 GLU -0.91 0.23 1 47 ALA 2.05 -0.50 1 48 ASN 2.40 -0.46 1 50 LYS 0.57 -0.09 1 51 ILE 1.17 0.05 1 52 THR -0.11 0.07 1 54 TYR -6.06 0.78 1 55 ILE -0.61 -0.04 1 56 ILE -1.28 0.35 1 57 TYR -5.19 1.39 1 58 TYR -6.16 1.78 1 59 SER -3.08 0.13 1 60 THR 0.72 0.25 1 61 ASP -3.17 0.14 1 62 VAL 3.48 -0.72 1 63 ASN -0.83 0.03 1 64 ALA 0.92 -0.17 1 65 GLU 0.37 -0.27 1 66 ILE 1.06 -0.48 1 67 HIS 2.83 -0.18 1 68 ASP -0.21 0.35 1 69 TRP 2.64 -0.25 1 70 VAL 3.15 -0.37 1 71 ILE -1.44 0.27 1 72 GLU -4.07 0.40 1 74 VAL -1.97 -0.03 1 75 VAL 2.14 0.12 1 77 ASN 0.82 0.25 1 78 ARG -2.38 0.00 1 80 THR -4.32 0.66 1 81 HIS -5.20 0.16 1 82 GLN -3.32 0.91 1 83 ILE -1.48 -0.07 1 84 GLN -3.86 0.60 1 85 GLU 3.64 -0.61 1 86 LEU 1.68 0.05 1 87 THR 0.94 -0.07 1 88 LEU 2.00 -0.18 1 89 ASP -0.14 -0.34 1 92 TYR -6.79 0.08 1 93 TYR -4.66 0.89 1 94 PHE -4.18 1.27 1 95 LYS -4.68 0.25 1 96 ILE -3.70 1.28 1 97 GLN -6.89 0.51 1 98 ALA -5.39 0.55 1 99 ARG -5.12 0.70 1 100 ASN -3.37 0.47 1 101 SER 4.59 -0.33 1 102 LYS -0.10 0.03 1 104 MET -1.97 0.32 1 107 MET -2.00 0.16 1 108 SER -0.67 -0.25 1 109 GLU -0.10 -0.11 1 110 ALA 0.04 0.52 1 111 VAL -3.17 0.49 1 112 GLN -3.26 0.81 1 113 PHE -3.54 -0.07 1 114 ARG -2.94 0.70 1 115 THR 2.02 -0.39 1 117 LYS -0.74 -0.10 1 118 ALA -0.26 -0.09 1 119 SER -0.50 0.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11111_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 -2.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.09 _LACS_plot.Line_2_terminator_val_x_2 4.58 _LACS_plot.Line_2_terminator_val_y_2 0.41 _LACS_plot.Y_axis_chem_shift_offset 0.63 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 TYR -5.19 0.89 0 65 GLU 0.37 2.80 0 12 THR 0.09 0.15 1 13 THR 0.20 -0.72 1 14 PHE -0.32 -0.58 1 15 GLU -1.77 -1.44 1 16 LEU -3.83 -0.99 1 17 VAL 3.45 -1.87 1 19 THR 0.11 -1.28 1 20 SER -0.19 -1.92 1 23 LYS -4.56 -2.03 1 24 ASP 2.50 -1.71 1 25 VAL 3.08 1.26 1 26 THR -4.29 -2.55 1 27 VAL -2.83 -2.68 1 28 VAL -6.44 -1.97 1 29 SER 0.23 -0.07 1 30 LYS -0.74 -0.60 1 31 GLU 2.82 0.90 1 33 LYS -2.00 -2.07 1 35 LYS 1.34 -1.69 1 36 THR -0.95 -0.13 1 37 ILE -5.48 -2.54 1 38 ILE -1.32 -1.93 1 39 VAL -3.00 -2.20 1 40 ASN -4.96 -1.60 1 41 TRP -1.31 -3.47 1 42 GLN -2.60 -0.72 1 45 SER 3.06 1.00 1 46 GLU -0.91 -1.59 1 47 ALA 2.05 -0.85 1 48 ASN 2.40 -1.98 1 50 LYS 0.57 0.01 1 51 ILE 1.17 0.94 1 52 THR -0.11 0.86 1 54 TYR -6.06 -1.27 1 55 ILE -0.61 -2.38 1 56 ILE -1.28 -3.37 1 58 TYR -6.16 -1.74 1 59 SER -3.08 -0.52 1 60 THR 0.72 -0.54 1 61 ASP -3.17 -0.05 1 62 VAL 3.48 -1.99 1 63 ASN -0.83 0.20 1 64 ALA 0.92 1.05 1 66 ILE 1.06 0.25 1 67 HIS 2.83 1.40 1 68 ASP -0.21 1.32 1 69 TRP 2.64 -0.91 1 70 VAL 3.15 -1.06 1 71 ILE -1.44 -0.09 1 72 GLU -4.07 -1.99 1 74 VAL -1.97 -0.64 1 75 VAL 2.14 0.23 1 77 ASN 0.82 0.10 1 78 ARG -2.38 -2.70 1 79 LEU -0.78 -3.41 1 80 THR -4.32 -2.29 1 81 HIS -5.20 -1.75 1 82 GLN -3.32 -1.75 1 83 ILE -1.48 -2.56 1 84 GLN -3.86 -1.43 1 85 GLU 3.64 -0.60 1 86 LEU 1.68 -0.93 1 87 THR 0.94 0.88 1 88 LEU 2.00 0.59 1 89 ASP -0.14 -1.57 1 90 THR -2.93 -1.89 1 92 TYR -6.79 -2.16 1 93 TYR -4.66 -0.83 1 94 PHE -4.18 0.55 1 95 LYS -4.68 -2.90 1 96 ILE -3.70 -2.30 1 97 GLN -6.89 -2.52 1 98 ALA -5.39 -3.11 1 99 ARG -5.12 -1.83 1 100 ASN -3.37 1.32 1 101 SER 4.59 0.72 1 102 LYS -0.10 0.13 1 104 MET -1.97 0.79 1 107 MET -2.00 0.65 1 108 SER -0.67 -0.58 1 109 GLU -0.10 1.08 1 110 ALA 0.04 0.24 1 111 VAL -3.17 -1.51 1 112 GLN -3.26 -0.74 1 113 PHE -3.54 -3.64 1 114 ARG -2.94 -1.35 1 115 THR 2.02 -0.78 1 117 LYS -0.74 0.25 1 118 ALA -0.26 -0.20 1 119 SER -0.50 -0.05 1 stop_ save_