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 bmr30445_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.85 _LACS_plot.Line_1_terminator_val_y_1 -2.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.87 _LACS_plot.Line_2_terminator_val_x_2 6.33 _LACS_plot.Line_2_terminator_val_y_2 4.70 _LACS_plot.Y_axis_chem_shift_offset -0.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 60 HIS 3.69 5.66 0 10 SER -0.44 0.20 1 13 THR 0.95 0.54 1 14 GLU -3.68 -1.46 1 15 VAL -4.73 -2.43 1 16 SER -1.48 -0.58 1 18 HIS -3.15 0.65 1 19 ILE -4.02 -1.92 1 20 SER -2.94 -1.57 1 21 ARG 4.82 3.49 1 22 ARG 3.86 2.73 1 23 LEU 2.83 2.54 1 24 LEU 4.23 1.86 1 25 GLU 1.31 1.70 1 26 ARG -1.63 -1.19 1 27 VAL 1.46 1.58 1 28 ASN -0.82 1.21 1 29 MET -2.11 0.71 1 31 ARG -5.85 -1.47 1 32 ILE -1.17 -1.04 1 33 GLN -3.77 -1.01 1 34 ARG -2.77 -0.54 1 35 ALA 0.55 -0.79 1 36 ASP -1.03 -0.95 1 38 ASP 1.49 2.18 1 40 ASP 0.28 1.00 1 41 LEU -4.42 -1.25 1 42 ALA -2.01 -1.45 1 43 ALA -4.77 -0.44 1 44 VAL 0.81 0.75 1 45 ILE 0.39 0.24 1 46 LEU -3.42 -2.23 1 47 HIS -1.55 0.75 1 48 VAL -1.70 -1.05 1 49 LYS 5.37 2.73 1 50 ARG 2.38 1.22 1 51 ARG -1.85 -0.27 1 52 ARG -2.47 -1.20 1 53 ILE -2.74 -0.31 1 55 VAL -4.64 -2.07 1 56 SER -0.21 1.32 1 58 HIS -1.60 0.27 1 59 ASN 1.33 2.68 1 61 THR 6.33 4.96 1 62 VAL 5.10 4.26 1 63 LYS 5.57 4.63 1 64 GLN 4.13 3.28 1 65 TRP 4.47 4.13 1 66 MET 3.94 4.49 1 67 LYS 4.15 3.53 1 68 VAL 5.10 4.04 1 69 GLN 3.22 2.16 1 70 ALA 2.53 1.70 1 71 ALA 0.41 0.37 1 72 LYS 1.34 1.37 1 73 LYS 0.74 0.57 1 74 ASN 1.98 1.06 1 76 LYS 0.30 -0.02 1 78 ASN -0.39 -0.25 1 79 VAL 0.49 0.57 1 81 HIS -2.02 1.46 1 82 ARG -0.78 0.18 1 83 LYS -0.22 0.46 1 84 LYS 0.18 0.40 1 85 HIS -0.10 2.41 1 86 HIS -1.18 1.17 1 88 LYS -0.20 0.21 1 89 ARG 0.52 0.48 1 90 ASN 0.49 0.74 1 91 SER -0.02 0.35 1 92 ASN 0.18 0.48 1 93 ARG 0.50 0.46 1 94 ALA 0.16 0.45 1 95 HIS -0.21 1.33 1 96 GLN 0.29 0.46 1 100 GLU -0.47 0.16 1 101 THR -0.01 0.29 1 102 TYR 0.46 0.43 1 104 HIS -0.62 1.13 1 105 LYS 1.61 2.31 1 108 TYR 0.65 1.45 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30445_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.85 _LACS_plot.Line_1_terminator_val_y_1 3.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.13 _LACS_plot.Line_2_terminator_val_x_2 6.33 _LACS_plot.Line_2_terminator_val_y_2 -1.63 _LACS_plot.Y_axis_chem_shift_offset -0.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 60 HIS 3.69 1.97 0 10 SER -0.44 0.64 1 13 THR 0.95 -0.41 1 14 GLU -3.68 2.22 1 15 VAL -4.73 2.30 1 16 SER -1.48 0.90 1 18 HIS -3.15 3.80 1 19 ILE -4.02 2.10 1 20 SER -2.94 1.37 1 21 ARG 4.82 -1.33 1 22 ARG 3.86 -1.13 1 23 LEU 2.83 -0.29 1 24 LEU 4.23 -2.37 1 25 GLU 1.31 0.39 1 26 ARG -1.63 0.44 1 27 VAL 1.46 0.12 1 28 ASN -0.82 2.03 1 29 MET -2.11 2.82 1 31 ARG -5.85 4.38 1 32 ILE -1.17 0.13 1 33 GLN -3.77 2.76 1 34 ARG -2.77 2.23 1 35 ALA 0.55 -1.34 1 36 ASP -1.03 0.08 1 38 ASP 1.49 0.69 1 40 ASP 0.28 0.72 1 41 LEU -4.42 3.17 1 42 ALA -2.01 0.56 1 43 ALA -4.77 4.33 1 44 VAL 0.81 -0.06 1 45 ILE 0.39 -0.15 1 46 LEU -3.42 1.19 1 47 HIS -1.55 2.30 1 48 VAL -1.70 0.65 1 49 LYS 5.37 -2.64 1 50 ARG 2.38 -1.16 1 51 ARG -1.85 1.58 1 52 ARG -2.47 1.27 1 53 ILE -2.74 2.43 1 55 VAL -4.64 2.57 1 56 SER -0.21 1.53 1 58 HIS -1.60 1.87 1 59 ASN 1.33 1.35 1 61 THR 6.33 -1.37 1 62 VAL 5.10 -0.84 1 63 LYS 5.57 -0.94 1 64 GLN 4.13 -0.85 1 65 TRP 4.47 -0.34 1 66 MET 3.94 0.55 1 67 LYS 4.15 -0.62 1 68 VAL 5.10 -1.06 1 69 GLN 3.22 -1.06 1 70 ALA 2.53 -0.83 1 71 ALA 0.41 -0.04 1 72 LYS 1.34 0.03 1 73 LYS 0.74 -0.17 1 74 ASN 1.98 -0.92 1 76 LYS 0.30 -0.32 1 78 ASN -0.39 0.14 1 79 VAL 0.49 0.08 1 81 HIS -2.02 3.48 1 82 ARG -0.78 0.96 1 83 LYS -0.22 0.68 1 84 LYS 0.18 0.22 1 85 HIS -0.10 2.51 1 86 HIS -1.18 2.35 1 88 LYS -0.20 0.41 1 89 ARG 0.52 -0.04 1 90 ASN 0.49 0.25 1 91 SER -0.02 0.37 1 92 ASN 0.18 0.30 1 93 ARG 0.50 -0.04 1 94 ALA 0.16 0.29 1 95 HIS -0.21 1.54 1 96 GLN 0.29 0.17 1 100 GLU -0.47 0.63 1 101 THR -0.01 0.30 1 102 TYR 0.46 -0.03 1 104 HIS -0.62 1.75 1 105 LYS 1.61 0.70 1 108 TYR 0.65 0.80 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30445_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.85 _LACS_plot.Line_1_terminator_val_y_1 0.42 _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 0.10 _LACS_plot.Line_2_terminator_val_x_2 6.33 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 ARG -5.85 0.96 0 66 MET 3.94 -1.07 0 10 SER -0.44 -0.03 1 13 THR 0.95 -0.08 1 14 GLU -3.68 0.11 1 15 VAL -4.73 0.20 1 16 SER -1.48 0.10 1 18 HIS -3.15 0.04 1 19 ILE -4.02 0.13 1 20 SER -2.94 0.09 1 21 ARG 4.82 -0.59 1 22 ARG 3.86 -0.38 1 23 LEU 2.83 -0.41 1 24 LEU 4.23 -0.91 1 25 GLU 1.31 -0.19 1 26 ARG -1.63 0.13 1 27 VAL 1.46 -0.19 1 28 ASN -0.82 0.26 1 29 MET -2.11 0.13 1 32 ILE -1.17 0.27 1 33 GLN -3.77 0.34 1 34 ARG -2.77 0.09 1 35 ALA 0.55 0.00 1 36 ASP -1.03 -0.04 1 38 ASP 1.49 -0.07 1 40 ASP 0.28 0.00 1 41 LEU -4.42 0.18 1 42 ALA -2.01 0.28 1 43 ALA -4.77 0.29 1 44 VAL 0.81 0.18 1 45 ILE 0.39 0.37 1 46 LEU -3.42 0.57 1 47 HIS -1.55 0.53 1 48 VAL -1.70 0.17 1 49 LYS 5.37 -0.56 1 50 ARG 2.38 -0.12 1 51 ARG -1.85 0.12 1 52 ARG -2.47 0.49 1 53 ILE -2.74 0.07 1 55 VAL -4.64 0.61 1 56 SER -0.21 -0.28 1 58 HIS -1.60 -0.18 1 59 ASN 1.33 -0.18 1 60 HIS 3.69 -0.57 1 61 THR 6.33 -0.47 1 62 VAL 5.10 -0.34 1 63 LYS 5.57 -0.32 1 64 GLN 4.13 -0.31 1 65 TRP 4.47 -0.39 1 67 LYS 4.15 -0.39 1 68 VAL 5.10 -0.50 1 69 GLN 3.22 -0.72 1 70 ALA 2.53 -0.43 1 71 ALA 0.41 -0.09 1 72 LYS 1.34 -0.21 1 73 LYS 0.74 -0.09 1 74 ASN 1.98 -0.23 1 76 LYS 0.30 0.01 1 78 ASN -0.39 -0.06 1 79 VAL 0.49 -0.29 1 81 HIS -2.02 -0.14 1 82 ARG -0.78 0.16 1 83 LYS -0.22 -0.04 1 84 LYS 0.18 -0.06 1 85 HIS -0.10 -0.25 1 86 HIS -1.18 -0.16 1 88 LYS -0.20 -0.09 1 89 ARG 0.52 -0.08 1 90 ASN 0.49 -0.06 1 91 SER -0.02 -0.04 1 92 ASN 0.18 -0.08 1 93 ARG 0.50 -0.09 1 94 ALA 0.16 -0.11 1 95 HIS -0.21 -0.16 1 96 GLN 0.29 -0.06 1 100 GLU -0.47 -0.11 1 101 THR -0.01 -0.14 1 102 TYR 0.46 -0.05 1 104 HIS -0.62 -0.16 1 105 LYS 1.61 -0.33 1 108 TYR 0.65 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30445_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.85 _LACS_plot.Line_1_terminator_val_y_1 -2.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.86 _LACS_plot.Line_2_terminator_val_x_2 6.33 _LACS_plot.Line_2_terminator_val_y_2 2.82 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 62 VAL 5.10 -0.15 0 49 LYS 5.37 -0.18 0 10 SER -0.44 0.35 1 13 THR 0.95 -1.52 1 14 GLU -3.68 -2.25 1 15 VAL -4.73 -0.87 1 16 SER -1.48 2.00 1 18 HIS -3.15 -0.75 1 19 ILE -4.02 -3.66 1 20 SER -2.94 0.70 1 21 ARG 4.82 2.01 1 22 ARG 3.86 2.24 1 23 LEU 2.83 1.39 1 24 LEU 4.23 1.19 1 25 GLU 1.31 0.91 1 26 ARG -1.63 -0.68 1 27 VAL 1.46 0.35 1 28 ASN -0.82 -0.58 1 29 MET -2.11 1.09 1 31 ARG -5.85 -2.51 1 32 ILE -1.17 -1.35 1 33 GLN -3.77 -1.34 1 34 ARG -2.77 -0.91 1 35 ALA 0.55 -1.15 1 36 ASP -1.03 -0.02 1 38 ASP 1.49 -0.05 1 40 ASP 0.28 -1.03 1 41 LEU -4.42 -2.59 1 42 ALA -2.01 -1.21 1 43 ALA -4.77 -2.77 1 44 VAL 0.81 -2.22 1 45 ILE 0.39 -1.18 1 46 LEU -3.42 -1.78 1 47 HIS -1.55 0.65 1 48 VAL -1.70 -0.96 1 50 ARG 2.38 -0.55 1 51 ARG -1.85 -1.78 1 52 ARG -2.47 -1.13 1 53 ILE -2.74 -2.02 1 55 VAL -4.64 -2.12 1 56 SER -0.21 1.59 1 58 HIS -1.60 1.77 1 60 HIS 3.69 2.86 1 61 THR 6.33 2.59 1 63 LYS 5.57 3.30 1 64 GLN 4.13 1.88 1 65 TRP 4.47 2.00 1 66 MET 3.94 2.66 1 67 LYS 4.15 2.79 1 68 VAL 5.10 3.13 1 69 GLN 3.22 2.51 1 70 ALA 2.53 0.59 1 71 ALA 0.41 0.78 1 72 LYS 1.34 -0.31 1 73 LYS 0.74 0.39 1 74 ASN 1.98 0.38 1 76 LYS 0.30 0.58 1 78 ASN -0.39 -0.62 1 79 VAL 0.49 -0.18 1 81 HIS -2.02 0.97 1 82 ARG -0.78 -0.39 1 83 LYS -0.22 -0.33 1 84 LYS 0.18 -0.33 1 86 HIS -1.18 1.45 1 88 LYS -0.20 0.23 1 89 ARG 0.52 -0.12 1 90 ASN 0.49 0.16 1 91 SER -0.02 -0.20 1 92 ASN 0.18 0.19 1 93 ARG 0.50 -0.13 1 94 ALA 0.16 -0.11 1 95 HIS -0.21 1.20 1 96 GLN 0.29 0.29 1 100 GLU -0.47 -0.16 1 101 THR -0.01 -0.31 1 102 TYR 0.46 0.46 1 104 HIS -0.62 0.97 1 105 LYS 1.61 1.08 1 stop_ save_