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 bmr17368_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 -2.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.92 _LACS_plot.Line_2_terminator_val_x_2 5.76 _LACS_plot.Line_2_terminator_val_y_2 4.19 _LACS_plot.Y_axis_chem_shift_offset -0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 HIS 3.39 5.33 0 106 LEU 3.41 -0.54 0 10 HIS -0.40 0.55 1 11 MET 0.12 -1.44 1 12 GLU 3.08 2.51 1 13 TRP -5.85 -4.08 1 14 TYR 1.12 1.01 1 15 PHE -0.86 -0.29 1 17 LYS 2.67 0.78 1 18 LEU -2.57 -0.30 1 20 ARG 4.33 4.62 1 21 LYS 4.89 3.13 1 22 ASP 3.50 3.03 1 23 ALA 3.63 2.84 1 24 GLU 5.41 3.86 1 25 ARG 4.33 3.38 1 26 GLN 4.18 3.29 1 27 LEU 1.90 2.80 1 28 LEU 2.94 0.49 1 29 SER 1.22 1.40 1 30 PHE 2.62 2.17 1 32 ASN -0.94 -0.99 1 34 ARG 3.74 2.78 1 36 THR 4.71 2.67 1 37 PHE -7.57 -2.35 1 38 LEU -3.62 -0.47 1 39 ILE -1.90 -0.61 1 40 ARG -6.76 -3.44 1 41 GLU 0.68 1.31 1 42 SER -0.68 -0.85 1 43 GLU 0.13 1.46 1 44 THR 0.37 1.13 1 45 THR -0.59 -0.55 1 46 LYS 2.97 1.58 1 48 ALA -3.80 -2.58 1 49 TYR -4.72 -1.08 1 50 SER -2.44 -0.49 1 51 LEU -3.33 -1.64 1 52 SER -1.12 0.23 1 53 ILE -6.61 -1.37 1 54 ARG -0.52 0.44 1 55 ASP -6.38 -2.28 1 56 TRP -3.10 0.35 1 57 ASP -3.14 -0.73 1 58 ASP 1.93 1.45 1 59 MET 0.60 1.32 1 60 LYS -0.40 -0.01 1 62 ASP 0.78 1.33 1 63 HIS 0.24 0.89 1 64 VAL -3.92 -1.92 1 65 LYS -5.52 -1.40 1 66 HIS -5.21 -0.63 1 67 TYR -3.58 -0.92 1 68 LYS 0.93 0.23 1 69 ILE -1.21 -0.74 1 70 ARG -3.81 -1.73 1 71 LYS -4.10 -1.91 1 72 LEU -1.37 -0.70 1 73 ASP 3.61 2.69 1 74 ASN 0.74 -0.20 1 77 TYR -3.39 -0.27 1 78 TYR -2.50 -0.08 1 79 ILE 0.23 2.03 1 80 THR -3.81 -2.84 1 81 THR 3.46 2.28 1 82 ARG 1.30 0.97 1 83 ALA -2.12 -0.69 1 84 GLN -4.53 -2.30 1 85 PHE -5.13 -0.58 1 86 GLU 1.93 2.77 1 87 THR -6.78 -3.47 1 88 LEU 2.49 1.92 1 89 GLN 5.68 4.24 1 90 GLN 3.01 3.07 1 91 LEU 4.79 4.00 1 92 VAL 5.76 4.16 1 93 GLN 4.73 3.44 1 95 TYR 3.51 2.14 1 96 SER 2.37 1.73 1 97 GLU 0.03 0.81 1 98 ARG -2.38 -1.49 1 99 ALA 3.29 2.29 1 100 ALA 0.24 0.12 1 102 LEU -0.76 -1.11 1 105 ARG -0.65 -0.18 1 107 VAL 1.31 2.60 1 108 VAL -4.42 -2.04 1 111 HIS 1.14 1.52 1 112 LYS 1.51 2.05 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17368_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 4.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.79 _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 5.76 _LACS_plot.Line_2_terminator_val_y_2 -1.57 _LACS_plot.Y_axis_chem_shift_offset -0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 HIS 3.39 1.94 0 106 LEU 3.41 -3.95 0 10 HIS -0.40 0.95 1 11 MET 0.12 -1.56 1 12 GLU 3.08 -0.57 1 13 TRP -5.85 1.77 1 14 TYR 1.12 -0.11 1 15 PHE -0.86 0.57 1 17 LYS 2.67 -1.89 1 18 LEU -2.57 2.27 1 20 ARG 4.33 0.29 1 21 LYS 4.89 -1.76 1 22 ASP 3.50 -0.47 1 23 ALA 3.63 -0.79 1 24 GLU 5.41 -1.55 1 25 ARG 4.33 -0.95 1 26 GLN 4.18 -0.89 1 27 LEU 1.90 0.90 1 28 LEU 2.94 -2.45 1 29 SER 1.22 0.18 1 30 PHE 2.62 -0.45 1 32 ASN -0.94 -0.05 1 34 ARG 3.74 -0.96 1 36 THR 4.71 -2.04 1 37 PHE -7.57 5.22 1 38 LEU -3.62 3.15 1 39 ILE -1.90 1.29 1 40 ARG -6.76 3.32 1 41 GLU 0.68 0.63 1 42 SER -0.68 -0.17 1 43 GLU 0.13 1.33 1 44 THR 0.37 0.76 1 45 THR -0.59 0.04 1 46 LYS 2.97 -1.39 1 48 ALA -3.80 1.22 1 49 TYR -4.72 3.64 1 50 SER -2.44 1.95 1 51 LEU -3.33 1.69 1 52 SER -1.12 1.35 1 53 ILE -6.61 5.24 1 54 ARG -0.52 0.96 1 55 ASP -6.38 4.10 1 56 TRP -3.10 3.45 1 57 ASP -3.14 2.41 1 58 ASP 1.93 -0.48 1 59 MET 0.60 0.72 1 60 LYS -0.40 0.39 1 62 ASP 0.78 0.55 1 63 HIS 0.24 0.65 1 64 VAL -3.92 2.00 1 65 LYS -5.52 4.12 1 66 HIS -5.21 4.58 1 67 TYR -3.58 2.66 1 68 LYS 0.93 -0.70 1 69 ILE -1.21 0.47 1 70 ARG -3.81 2.08 1 71 LYS -4.10 2.19 1 72 LEU -1.37 0.67 1 73 ASP 3.61 -0.92 1 74 ASN 0.74 -0.94 1 77 TYR -3.39 3.12 1 78 TYR -2.50 2.42 1 79 ILE 0.23 1.80 1 80 THR -3.81 0.97 1 81 THR 3.46 -1.18 1 82 ARG 1.30 -0.33 1 83 ALA -2.12 1.43 1 84 GLN -4.53 2.23 1 85 PHE -5.13 4.55 1 86 GLU 1.93 0.84 1 87 THR -6.78 3.31 1 88 LEU 2.49 -0.57 1 89 GLN 5.68 -1.44 1 90 GLN 3.01 0.06 1 91 LEU 4.79 -0.79 1 92 VAL 5.76 -1.60 1 93 GLN 4.73 -1.29 1 95 TYR 3.51 -1.37 1 96 SER 2.37 -0.64 1 97 GLU 0.03 0.78 1 98 ARG -2.38 0.89 1 99 ALA 3.29 -1.00 1 100 ALA 0.24 -0.12 1 102 LEU -0.76 -0.35 1 105 ARG -0.65 0.47 1 107 VAL 1.31 1.29 1 108 VAL -4.42 2.38 1 111 HIS 1.14 0.38 1 112 LYS 1.51 0.54 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17368_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 0.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 5.76 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 THR 4.71 0.99 0 91 LEU 4.79 -2.25 0 10 HIS -0.40 -0.19 1 11 MET 0.12 -0.40 1 12 GLU 3.08 -0.45 1 13 TRP -5.85 -0.03 1 14 TYR 1.12 0.68 1 15 PHE -0.86 -0.21 1 17 LYS 2.67 -0.07 1 18 LEU -2.57 0.07 1 20 ARG 4.33 -0.93 1 21 LYS 4.89 -0.36 1 22 ASP 3.50 -0.21 1 23 ALA 3.63 -0.53 1 24 GLU 5.41 -0.56 1 25 ARG 4.33 -0.46 1 26 GLN 4.18 -0.46 1 27 LEU 1.90 -0.51 1 28 LEU 2.94 -0.13 1 29 SER 1.22 -0.18 1 30 PHE 2.62 -0.29 1 32 ASN -0.94 0.01 1 34 ARG 3.74 -0.51 1 37 PHE -7.57 1.44 1 38 LEU -3.62 0.40 1 39 ILE -1.90 1.36 1 40 ARG -6.76 0.79 1 41 GLU 0.68 -0.10 1 42 SER -0.68 0.08 1 43 GLU 0.13 -0.15 1 44 THR 0.37 -0.08 1 45 THR -0.59 0.04 1 46 LYS 2.97 -0.22 1 48 ALA -3.80 0.61 1 49 TYR -4.72 0.69 1 50 SER -2.44 0.97 1 51 LEU -3.33 0.85 1 52 SER -1.12 0.90 1 53 ILE -6.61 0.64 1 54 ARG -0.52 0.05 1 55 ASP -6.38 0.70 1 56 TRP -3.10 0.24 1 57 ASP -3.14 -0.72 1 58 ASP 1.93 -0.78 1 59 MET 0.60 -0.10 1 60 LYS -0.40 -0.25 1 62 ASP 0.78 0.48 1 63 HIS 0.24 0.01 1 64 VAL -3.92 0.68 1 65 LYS -5.52 0.13 1 66 HIS -5.21 0.77 1 67 TYR -3.58 0.14 1 68 LYS 0.93 0.34 1 69 ILE -1.21 0.23 1 70 ARG -3.81 0.31 1 71 LYS -4.10 0.65 1 72 LEU -1.37 0.11 1 73 ASP 3.61 -0.35 1 74 ASN 0.74 -0.08 1 77 TYR -3.39 1.07 1 78 TYR -2.50 0.71 1 79 ILE 0.23 0.35 1 80 THR -3.81 0.75 1 81 THR 3.46 -0.71 1 82 ARG 1.30 -0.21 1 83 ALA -2.12 -0.01 1 84 GLN -4.53 0.74 1 85 PHE -5.13 0.29 1 86 GLU 1.93 -0.10 1 87 THR -6.78 0.61 1 88 LEU 2.49 -0.68 1 89 GLN 5.68 -0.32 1 90 GLN 3.01 -0.37 1 92 VAL 5.76 -1.35 1 93 GLN 4.73 -0.59 1 94 HIS 3.39 -0.74 1 95 TYR 3.51 0.39 1 96 SER 2.37 0.40 1 97 GLU 0.03 -0.17 1 98 ARG -2.38 -0.08 1 99 ALA 3.29 -0.46 1 100 ALA 0.24 -0.32 1 102 LEU -0.76 -0.23 1 105 ARG -0.65 -0.24 1 106 LEU 3.41 -0.46 1 107 VAL 1.31 -0.18 1 108 VAL -4.42 0.53 1 111 HIS 1.14 -0.15 1 112 LYS 1.51 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17368_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 -2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 5.76 _LACS_plot.Line_2_terminator_val_y_2 1.60 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 87 THR -6.78 0.00 0 83 ALA -2.12 -4.53 0 66 HIS -5.21 1.49 0 10 HIS -0.40 1.13 1 11 MET 0.12 2.00 1 12 GLU 3.08 -0.94 1 13 TRP -5.85 -0.94 1 14 TYR 1.12 -0.38 1 15 PHE -0.86 -0.28 1 17 LYS 2.67 -2.05 1 18 LEU -2.57 -2.02 1 20 ARG 4.33 1.85 1 21 LYS 4.89 3.19 1 22 ASP 3.50 2.35 1 23 ALA 3.63 1.42 1 24 GLU 5.41 0.66 1 25 ARG 4.33 2.98 1 26 GLN 4.18 3.49 1 27 LEU 1.90 1.85 1 28 LEU 2.94 -1.86 1 29 SER 1.22 -1.05 1 30 PHE 2.62 1.07 1 34 ARG 3.74 0.71 1 36 THR 4.71 -0.47 1 37 PHE -7.57 -3.45 1 38 LEU -3.62 -2.95 1 39 ILE -1.90 -3.74 1 40 ARG -6.76 -1.30 1 41 GLU 0.68 -0.17 1 42 SER -0.68 2.05 1 43 GLU 0.13 1.53 1 44 THR 0.37 0.98 1 45 THR -0.59 -1.52 1 46 LYS 2.97 1.62 1 48 ALA -3.80 -1.54 1 49 TYR -4.72 -1.50 1 50 SER -2.44 -2.20 1 51 LEU -3.33 -2.76 1 52 SER -1.12 -2.05 1 53 ILE -6.61 -2.01 1 54 ARG -0.52 -3.61 1 55 ASP -6.38 -1.62 1 56 TRP -3.10 -1.17 1 57 ASP -3.14 -2.40 1 58 ASP 1.93 -0.01 1 59 MET 0.60 1.32 1 60 LYS -0.40 0.81 1 62 ASP 0.78 -1.08 1 63 HIS 0.24 -3.07 1 64 VAL -3.92 -1.40 1 65 LYS -5.52 -2.63 1 67 TYR -3.58 -1.05 1 68 LYS 0.93 -0.89 1 69 ILE -1.21 -0.97 1 70 ARG -3.81 -2.51 1 71 LYS -4.10 0.89 1 72 LEU -1.37 0.76 1 73 ASP 3.61 0.67 1 74 ASN 0.74 -0.19 1 77 TYR -3.39 1.06 1 78 TYR -2.50 -3.41 1 79 ILE 0.23 0.80 1 80 THR -3.81 0.04 1 81 THR 3.46 0.74 1 82 ARG 1.30 -0.76 1 84 GLN -4.53 -0.99 1 85 PHE -5.13 0.01 1 86 GLU 1.93 0.29 1 88 LEU 2.49 0.87 1 89 GLN 5.68 2.21 1 90 GLN 3.01 1.99 1 91 LEU 4.79 -0.27 1 92 VAL 5.76 2.36 1 93 GLN 4.73 2.38 1 94 HIS 3.39 3.81 1 95 TYR 3.51 -0.23 1 96 SER 2.37 0.38 1 97 GLU 0.03 0.00 1 98 ARG -2.38 -3.79 1 99 ALA 3.29 0.24 1 100 ALA 0.24 -0.96 1 102 LEU -0.76 -0.92 1 105 ARG -0.65 -1.28 1 106 LEU 3.41 -0.83 1 107 VAL 1.31 -0.04 1 111 HIS 1.14 0.38 1 stop_ save_