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 bmr17612_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.01 _LACS_plot.Line_1_terminator_val_y_1 -2.45 _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 -1.57 _LACS_plot.Line_2_terminator_val_x_2 7.13 _LACS_plot.Line_2_terminator_val_y_2 5.69 _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 58 PHE -1.13 -5.54 0 10 LYS 3.86 3.19 1 11 VAL 4.34 3.40 1 12 THR 7.01 5.32 1 13 ASP 5.07 3.54 1 14 GLU 3.96 3.14 1 15 LEU 3.24 3.06 1 16 LYS 4.92 3.90 1 17 GLU 3.44 2.79 1 18 LEU 3.83 3.47 1 19 ILE 5.11 4.15 1 20 GLN 4.69 3.10 1 21 ASN 3.45 3.12 1 22 VAL 6.41 4.44 1 23 ASN 4.29 3.31 1 24 ASP 4.62 3.33 1 25 ASP 4.93 3.31 1 26 ILE 4.37 1.68 1 27 LYS 4.15 2.95 1 28 GLU 3.13 1.08 1 29 VAL 3.56 1.55 1 30 GLU 2.87 2.70 1 31 LYS 1.64 1.60 1 32 ASN -0.52 -0.35 1 34 GLU 0.10 -0.96 1 35 ASP 0.82 -0.25 1 36 MET 3.30 0.94 1 37 GLU 4.16 2.90 1 38 TYR 5.27 5.12 1 39 TRP 3.58 3.53 1 40 ASN 4.05 4.06 1 41 LYS 4.64 4.12 1 42 ILE 5.58 5.08 1 43 TYR 5.56 5.28 1 44 ARG 4.44 3.50 1 45 LEU 3.12 3.35 1 46 VAL 6.53 4.54 1 47 HIS 4.19 5.09 1 48 THR 6.36 5.20 1 49 MET 2.89 4.81 1 50 LYS 5.63 4.24 1 51 GLU 3.59 3.08 1 52 ILE 4.60 4.61 1 53 THR 5.89 4.73 1 54 GLU 3.77 3.14 1 55 THR 5.66 4.50 1 56 MET 0.65 -0.12 1 59 SER 4.66 3.66 1 60 SER 5.50 3.45 1 61 VAL 4.71 3.51 1 62 ALA 4.52 3.60 1 63 LYS 4.21 3.42 1 64 VAL 5.15 4.10 1 65 LEU 4.88 3.16 1 66 HIS 2.73 4.62 1 67 THR 5.66 4.50 1 68 ILE 6.47 5.32 1 69 MET 4.82 5.04 1 70 ASN 3.77 3.12 1 71 LEU 3.00 2.88 1 72 VAL 5.27 4.10 1 73 ASP 3.12 3.78 1 74 LYS 3.89 3.35 1 75 MET 4.36 3.74 1 76 LEU 2.89 2.29 1 77 ASN -0.13 0.07 1 78 SER 3.32 0.97 1 79 GLU -0.40 0.43 1 80 ILE -4.31 -2.08 1 81 LYS -0.36 -0.81 1 82 ILE 3.79 2.15 1 83 THR -5.01 -2.53 1 85 ASP 3.10 2.69 1 86 LEU 3.06 2.46 1 87 ILE 6.95 5.55 1 88 ASP 3.85 3.66 1 89 LYS 4.44 3.77 1 90 VAL 7.14 5.74 1 91 LYS 5.19 4.40 1 92 LYS 4.11 3.19 1 93 LYS 3.23 2.98 1 94 LEU 4.04 2.78 1 95 ASP 3.66 3.43 1 96 MET 4.66 3.87 1 97 VAL 6.56 4.92 1 98 THR 6.95 5.56 1 99 ARG 4.22 3.39 1 100 GLU 2.60 2.20 1 101 LEU 3.39 2.45 1 102 ASP 3.19 2.84 1 103 LYS 2.77 2.23 1 104 LYS 1.87 0.84 1 105 VAL 1.87 1.17 1 106 SER 1.47 1.20 1 108 SER 0.66 0.50 1 109 TYR 0.49 0.08 1 110 LEU -0.01 -0.17 1 111 VAL -0.13 -0.06 1 113 ARG 0.56 1.39 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17612_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.01 _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 -1.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.43 _LACS_plot.Line_2_terminator_val_x_2 7.13 _LACS_plot.Line_2_terminator_val_y_2 -1.44 _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 58 PHE -1.13 -4.41 0 10 LYS 3.86 -0.67 1 11 VAL 4.34 -0.94 1 12 THR 7.01 -1.69 1 13 ASP 5.07 -1.53 1 14 GLU 3.96 -0.82 1 15 LEU 3.24 -0.18 1 16 LYS 4.92 -1.02 1 17 GLU 3.44 -0.65 1 18 LEU 3.83 -0.36 1 19 ILE 5.11 -0.96 1 20 GLN 4.69 -1.59 1 21 ASN 3.45 -0.33 1 22 VAL 6.41 -1.97 1 23 ASN 4.29 -0.98 1 24 ASP 4.62 -1.29 1 25 ASP 4.93 -1.62 1 26 ILE 4.37 -2.69 1 27 LYS 4.15 -1.20 1 28 GLU 3.13 -2.05 1 29 VAL 3.56 -2.01 1 30 GLU 2.87 -0.17 1 31 LYS 1.64 -0.04 1 32 ASN -0.52 0.17 1 34 GLU 0.10 -1.06 1 35 ASP 0.82 -1.07 1 36 MET 3.30 -2.36 1 37 GLU 4.16 -1.26 1 38 TYR 5.27 -0.15 1 39 TRP 3.58 -0.05 1 40 ASN 4.05 0.01 1 41 LYS 4.64 -0.52 1 42 ILE 5.58 -0.50 1 43 TYR 5.56 -0.28 1 44 ARG 4.44 -0.94 1 45 LEU 3.12 0.23 1 46 VAL 6.53 -1.99 1 47 HIS 4.19 0.90 1 48 THR 6.36 -1.16 1 49 MET 2.89 1.92 1 50 LYS 5.63 -1.39 1 51 GLU 3.59 -0.51 1 52 ILE 4.60 0.01 1 53 THR 5.89 -1.16 1 54 GLU 3.77 -0.63 1 55 THR 5.66 -1.16 1 56 MET 0.65 -0.77 1 59 SER 4.66 -1.00 1 60 SER 5.50 -2.05 1 61 VAL 4.71 -1.20 1 62 ALA 4.52 -0.92 1 63 LYS 4.21 -0.79 1 64 VAL 5.15 -1.05 1 65 LEU 4.88 -1.72 1 66 HIS 2.73 1.89 1 67 THR 5.66 -1.16 1 68 ILE 6.47 -1.15 1 69 MET 4.82 0.22 1 70 ASN 3.77 -0.65 1 71 LEU 3.00 -0.12 1 72 VAL 5.27 -1.17 1 73 ASP 3.12 0.66 1 74 LYS 3.89 -0.54 1 75 MET 4.36 -0.62 1 76 LEU 2.89 -0.60 1 77 ASN -0.13 0.20 1 78 SER 3.32 -2.35 1 79 GLU -0.40 0.83 1 80 ILE -4.31 2.23 1 81 LYS -0.36 -0.45 1 82 ILE 3.79 -1.64 1 83 THR -5.01 2.48 1 85 ASP 3.10 -0.41 1 86 LEU 3.06 -0.60 1 87 ILE 6.95 -1.40 1 88 ASP 3.85 -0.19 1 89 LYS 4.44 -0.67 1 90 VAL 7.14 -1.40 1 91 LYS 5.19 -0.79 1 92 LYS 4.11 -0.92 1 93 LYS 3.23 -0.25 1 94 LEU 4.04 -1.26 1 95 ASP 3.66 -0.23 1 96 MET 4.66 -0.79 1 97 VAL 6.56 -1.64 1 98 THR 6.95 -1.39 1 99 ARG 4.22 -0.83 1 100 GLU 2.60 -0.40 1 101 LEU 3.39 -0.94 1 102 ASP 3.19 -0.35 1 103 LYS 2.77 -0.54 1 104 LYS 1.87 -1.03 1 105 VAL 1.87 -0.70 1 106 SER 1.47 -0.27 1 108 SER 0.66 -0.16 1 109 TYR 0.49 -0.41 1 110 LEU -0.01 -0.16 1 111 VAL -0.13 0.07 1 113 ARG 0.56 0.83 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17612_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.01 _LACS_plot.Line_1_terminator_val_y_1 0.31 _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 0.11 _LACS_plot.Line_2_terminator_val_x_2 7.13 _LACS_plot.Line_2_terminator_val_y_2 -0.57 _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 58 PHE -1.13 0.73 0 10 LYS 3.86 -0.34 1 11 VAL 4.34 -0.24 1 12 THR 7.01 -0.45 1 13 ASP 5.07 -0.21 1 14 GLU 3.96 -0.29 1 15 LEU 3.24 -0.32 1 16 LYS 4.92 -0.43 1 17 GLU 3.44 -0.26 1 18 LEU 3.83 -0.29 1 19 ILE 5.11 -0.68 1 20 GLN 4.69 -0.35 1 21 ASN 3.45 -0.25 1 22 VAL 6.41 -0.45 1 23 ASN 4.29 -0.45 1 24 ASP 4.62 -0.20 1 25 ASP 4.93 -0.25 1 26 ILE 4.37 -0.62 1 27 LYS 4.15 -0.25 1 28 GLU 3.13 -0.35 1 29 VAL 3.56 -0.32 1 30 GLU 2.87 -0.53 1 31 LYS 1.64 -0.22 1 32 ASN -0.52 -0.01 1 34 GLU 0.10 0.15 1 35 ASP 0.82 0.06 1 36 MET 3.30 0.20 1 37 GLU 4.16 -0.19 1 38 TYR 5.27 -0.52 1 39 TRP 3.58 0.05 1 40 ASN 4.05 -0.24 1 41 LYS 4.64 -0.31 1 42 ILE 5.58 -0.47 1 43 TYR 5.56 -0.79 1 44 ARG 4.44 -0.25 1 45 LEU 3.12 -0.20 1 46 VAL 6.53 -0.49 1 47 HIS 4.19 -0.47 1 48 THR 6.36 -0.44 1 49 MET 2.89 -0.77 1 50 LYS 5.63 -0.63 1 51 GLU 3.59 -0.33 1 52 ILE 4.60 -0.49 1 53 THR 5.89 -0.58 1 54 GLU 3.77 -0.36 1 55 THR 5.66 -0.39 1 56 MET 0.65 -0.20 1 59 SER 4.66 -0.39 1 60 SER 5.50 -0.22 1 61 VAL 4.71 -0.43 1 62 ALA 4.52 -0.30 1 63 LYS 4.21 -0.20 1 64 VAL 5.15 -0.31 1 65 LEU 4.88 -0.43 1 66 HIS 2.73 -0.41 1 67 THR 5.66 -0.28 1 68 ILE 6.47 -0.56 1 69 MET 4.82 -0.79 1 70 ASN 3.77 -0.24 1 71 LEU 3.00 -0.29 1 72 VAL 5.27 -0.50 1 73 ASP 3.12 -0.41 1 74 LYS 3.89 -0.31 1 75 MET 4.36 -0.65 1 76 LEU 2.89 -0.32 1 77 ASN -0.13 0.06 1 78 SER 3.32 -0.13 1 79 GLU -0.40 -0.16 1 80 ILE -4.31 0.18 1 81 LYS -0.36 -0.11 1 82 ILE 3.79 -0.43 1 83 THR -5.01 0.40 1 85 ASP 3.10 -0.21 1 86 LEU 3.06 -0.21 1 87 ILE 6.95 -0.60 1 88 ASP 3.85 -0.26 1 89 LYS 4.44 -0.31 1 90 VAL 7.14 -0.73 1 91 LYS 5.19 -0.48 1 92 LYS 4.11 -0.22 1 93 LYS 3.23 -0.14 1 94 LEU 4.04 -0.40 1 95 ASP 3.66 -0.24 1 96 MET 4.66 -0.38 1 97 VAL 6.56 -0.62 1 98 THR 6.95 -0.72 1 99 ARG 4.22 -0.25 1 100 GLU 2.60 -0.34 1 101 LEU 3.39 -0.48 1 102 ASP 3.19 -0.21 1 103 LYS 2.77 -0.27 1 104 LYS 1.87 -0.22 1 105 VAL 1.87 -0.06 1 106 SER 1.47 -0.08 1 108 SER 0.66 -0.06 1 109 TYR 0.49 -0.01 1 110 LEU -0.01 -0.05 1 111 VAL -0.13 -0.11 1 113 ARG 0.56 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17612_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.31 _LACS_plot.Line_1_terminator_val_y_1 -2.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.99 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.47 _LACS_plot.Line_2_terminator_val_x_2 7.13 _LACS_plot.Line_2_terminator_val_y_2 2.97 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 ILE -4.31 -2.70 0 10 LYS 3.86 3.06 1 11 VAL 4.34 1.96 1 12 THR 7.01 1.98 1 13 ASP 5.07 3.04 1 14 GLU 3.96 2.96 1 15 LEU 3.24 0.72 1 16 LYS 4.92 2.89 1 17 GLU 3.44 2.03 1 18 LEU 3.83 1.83 1 19 ILE 5.11 1.27 1 20 GLN 4.69 1.99 1 21 ASN 3.45 2.52 1 22 VAL 6.41 1.00 1 23 ASN 4.29 3.47 1 24 ASP 4.62 2.55 1 25 ASP 4.93 2.48 1 26 ILE 4.37 0.65 1 27 LYS 4.15 2.97 1 28 GLU 3.13 3.47 1 29 VAL 3.56 0.96 1 30 GLU 2.87 2.14 1 31 LYS 1.64 0.36 1 32 ASN -0.52 -1.74 1 34 GLU 0.10 -0.44 1 35 ASP 0.82 -0.02 1 36 MET 3.30 2.96 1 37 GLU 4.16 3.85 1 38 TYR 5.27 2.81 1 39 TRP 3.58 2.22 1 40 ASN 4.05 2.36 1 41 LYS 4.64 2.74 1 42 ILE 5.58 0.64 1 43 TYR 5.56 0.86 1 44 ARG 4.44 3.46 1 45 LEU 3.12 1.77 1 46 VAL 6.53 1.11 1 47 HIS 4.19 3.64 1 48 THR 6.36 1.80 1 49 MET 2.89 1.79 1 50 LYS 5.63 0.86 1 51 GLU 3.59 3.29 1 52 ILE 4.60 2.60 1 53 THR 5.89 2.65 1 54 GLU 3.77 4.02 1 55 THR 5.66 1.35 1 56 MET 0.65 -0.41 1 58 PHE -1.13 0.90 1 60 SER 5.50 2.43 1 61 VAL 4.71 1.20 1 62 ALA 4.52 1.67 1 63 LYS 4.21 2.87 1 64 VAL 5.15 3.50 1 65 LEU 4.88 0.85 1 66 HIS 2.73 3.51 1 67 THR 5.66 2.80 1 68 ILE 6.47 0.80 1 69 MET 4.82 1.01 1 70 ASN 3.77 2.26 1 71 LEU 3.00 0.61 1 72 VAL 5.27 1.59 1 73 ASP 3.12 2.22 1 74 LYS 3.89 2.83 1 75 MET 4.36 3.15 1 76 LEU 2.89 1.01 1 77 ASN -0.13 -0.81 1 78 SER 3.32 -0.44 1 79 GLU -0.40 -0.40 1 81 LYS -0.36 -0.60 1 82 ILE 3.79 -0.83 1 85 ASP 3.10 1.84 1 86 LEU 3.06 1.11 1 87 ILE 6.95 1.45 1 88 ASP 3.85 2.00 1 89 LYS 4.44 2.77 1 90 VAL 7.14 1.26 1 91 LYS 5.19 2.65 1 92 LYS 4.11 3.87 1 93 LYS 3.23 2.11 1 94 LEU 4.04 2.06 1 95 ASP 3.66 2.02 1 96 MET 4.66 2.43 1 97 VAL 6.56 0.77 1 98 THR 6.95 1.39 1 99 ARG 4.22 3.31 1 100 GLU 2.60 2.95 1 101 LEU 3.39 0.83 1 102 ASP 3.19 2.25 1 103 LYS 2.77 2.07 1 104 LYS 1.87 1.48 1 105 VAL 1.87 0.61 1 106 SER 1.47 1.03 1 108 SER 0.66 -0.44 1 109 TYR 0.49 -0.57 1 110 LEU -0.01 -1.10 1 111 VAL -0.13 -0.63 1 stop_ save_