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 bmr18094_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.35 _LACS_plot.Line_1_terminator_val_y_1 -2.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 5.84 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 HIS 4.59 7.17 0 10 THR 0.92 0.62 1 11 LYS 1.07 0.53 1 12 LEU 0.09 -0.10 1 13 LEU 0.01 -0.16 1 14 SER -0.41 -0.22 1 16 LEU -1.15 -1.85 1 17 ARG -0.20 -0.10 1 18 ASP 0.01 0.13 1 19 THR -0.14 -0.11 1 23 GLN -0.08 0.23 1 24 SER -1.78 -0.86 1 25 LEU -3.61 -2.00 1 26 MET 0.73 -0.90 1 27 VAL 1.01 -0.14 1 28 LYS -3.05 -1.13 1 29 ILE -3.35 -1.38 1 30 THR 3.19 2.11 1 31 LEU 3.78 2.72 1 32 ASP 2.51 1.58 1 33 LEU -0.36 -0.01 1 34 LEU -0.71 -1.04 1 35 SER 0.90 1.11 1 36 ARG -1.79 -0.38 1 37 ILE -0.38 -0.17 1 39 GLN 0.22 -0.15 1 43 LYS -0.69 -0.26 1 47 SER 0.04 0.20 1 48 ASP 0.46 0.34 1 49 LYS 0.12 -0.13 1 50 GLN -0.06 0.07 1 51 ILE 0.13 0.00 1 52 LYS -0.41 -0.32 1 53 ASN 0.36 0.43 1 55 GLU -0.45 -0.08 1 57 ASP -1.75 -0.84 1 58 LYS 3.82 3.39 1 59 ALA 3.49 2.51 1 60 TYR 2.50 2.33 1 61 LEU 4.50 3.27 1 62 ASP 4.77 3.51 1 63 GLU 3.62 3.39 1 64 LEU 3.34 2.93 1 65 VAL 5.90 5.05 1 66 GLU 2.92 2.13 1 67 LEU 3.18 2.83 1 69 ARG 4.21 3.50 1 70 ARG 3.06 3.07 1 71 LEU 2.90 2.87 1 72 MET 2.49 0.74 1 73 THR -0.53 -0.29 1 74 LEU 0.34 1.19 1 75 ARG -2.29 -1.49 1 76 GLU 0.42 0.62 1 77 ARG 5.15 4.89 1 78 HIS 5.07 4.69 1 79 ILE 3.35 2.42 1 80 LEU 3.71 3.34 1 81 GLN 3.52 2.66 1 82 GLN 4.34 3.47 1 83 ILE 5.89 4.85 1 84 VAL 7.03 4.58 1 85 ASN 5.47 2.52 1 86 LEU 3.09 2.85 1 87 ILE 4.53 0.18 1 88 GLU 3.39 2.53 1 89 GLU 2.52 2.46 1 90 THR -0.27 1.44 1 92 HIS 0.61 -1.03 1 93 PHE -4.35 -2.01 1 94 HIS -3.71 -0.05 1 95 ILE -1.57 -1.01 1 96 THR -2.17 -1.41 1 97 ASN 3.52 2.98 1 98 THR -1.99 0.01 1 99 THR -3.56 -0.66 1 100 PHE -2.04 -0.01 1 101 ASP -2.36 -1.57 1 102 PHE -3.48 -1.22 1 103 ASP -3.93 -2.17 1 104 LEU 2.35 3.29 1 106 SER -0.59 0.35 1 107 LEU -2.87 -1.55 1 108 ASP -1.83 -0.84 1 109 LYS 4.83 4.15 1 110 THR 5.96 4.53 1 111 THR 7.34 5.19 1 112 VAL 7.29 6.20 1 113 ARG 4.27 2.75 1 114 LYS 4.05 3.23 1 115 LEU 3.27 3.71 1 116 GLN 4.60 3.86 1 117 SER 4.14 3.22 1 118 TYR 2.36 0.65 1 119 LEU 1.57 1.08 1 120 GLU 1.00 1.05 1 121 THR 0.91 0.63 1 122 SER 0.56 0.71 1 124 THR -0.22 -0.07 1 125 SER 0.85 1.87 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18094_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.35 _LACS_plot.Line_1_terminator_val_y_1 2.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 -1.49 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 HIS 4.59 2.58 0 10 THR 0.92 -0.30 1 11 LYS 1.07 -0.54 1 12 LEU 0.09 -0.19 1 13 LEU 0.01 -0.17 1 14 SER -0.41 0.19 1 16 LEU -1.15 -0.70 1 17 ARG -0.20 0.10 1 18 ASP 0.01 0.12 1 19 THR -0.14 0.03 1 23 GLN -0.08 0.31 1 24 SER -1.78 0.92 1 25 LEU -3.61 1.61 1 26 MET 0.73 -1.63 1 27 VAL 1.01 -1.15 1 28 LYS -3.05 1.92 1 29 ILE -3.35 1.97 1 30 THR 3.19 -1.08 1 31 LEU 3.78 -1.06 1 32 ASP 2.51 -0.93 1 33 LEU -0.36 0.35 1 34 LEU -0.71 -0.33 1 35 SER 0.90 0.21 1 36 ARG -1.79 1.41 1 37 ILE -0.38 0.21 1 39 GLN 0.22 -0.37 1 43 LYS -0.69 0.43 1 47 SER 0.04 0.16 1 48 ASP 0.46 -0.12 1 49 LYS 0.12 -0.25 1 50 GLN -0.06 0.13 1 51 ILE 0.13 -0.13 1 52 LYS -0.41 0.09 1 53 ASN 0.36 0.07 1 55 GLU -0.45 0.37 1 57 ASP -1.75 0.91 1 58 LYS 3.82 -0.43 1 59 ALA 3.49 -0.98 1 60 TYR 2.50 -0.17 1 61 LEU 4.50 -1.23 1 62 ASP 4.77 -1.26 1 63 GLU 3.62 -0.23 1 64 LEU 3.34 -0.41 1 65 VAL 5.90 -0.85 1 66 GLU 2.92 -0.79 1 67 LEU 3.18 -0.35 1 69 ARG 4.21 -0.71 1 70 ARG 3.06 0.01 1 71 LEU 2.90 -0.03 1 72 MET 2.49 -1.75 1 73 THR -0.53 0.24 1 74 LEU 0.34 0.85 1 75 ARG -2.29 0.80 1 76 GLU 0.42 0.20 1 77 ARG 5.15 -0.26 1 78 HIS 5.07 -0.38 1 79 ILE 3.35 -0.93 1 80 LEU 3.71 -0.37 1 81 GLN 3.52 -0.86 1 82 GLN 4.34 -0.87 1 83 ILE 5.89 -1.04 1 84 VAL 7.03 -2.45 1 85 ASN 5.47 -2.95 1 86 LEU 3.09 -0.24 1 87 ILE 4.53 -4.35 1 88 GLU 3.39 -0.86 1 89 GLU 2.52 -0.06 1 90 THR -0.27 1.71 1 92 HIS 0.61 -1.64 1 93 PHE -4.35 2.34 1 94 HIS -3.71 3.66 1 95 ILE -1.57 0.56 1 96 THR -2.17 0.76 1 97 ASN 3.52 -0.54 1 98 THR -1.99 2.00 1 99 THR -3.56 2.90 1 100 PHE -2.04 2.03 1 101 ASP -2.36 0.79 1 102 PHE -3.48 2.26 1 103 ASP -3.93 1.76 1 104 LEU 2.35 0.94 1 106 SER -0.59 0.94 1 107 LEU -2.87 1.32 1 108 ASP -1.83 0.99 1 109 LYS 4.83 -0.68 1 110 THR 5.96 -1.43 1 111 THR 7.34 -2.15 1 112 VAL 7.29 -1.09 1 113 ARG 4.27 -1.52 1 114 LYS 4.05 -0.82 1 115 LEU 3.27 0.44 1 116 GLN 4.60 -0.74 1 117 SER 4.14 -0.92 1 118 TYR 2.36 -1.71 1 119 LEU 1.57 -0.49 1 120 GLU 1.00 0.05 1 121 THR 0.91 -0.28 1 122 SER 0.56 0.15 1 124 THR -0.22 0.15 1 125 SER 0.85 1.02 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18094_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.35 _LACS_plot.Line_1_terminator_val_y_1 0.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _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 101 ASP -2.36 1.41 0 11 LYS 1.07 -0.10 1 14 SER -0.41 -0.08 1 19 THR -0.14 -0.56 1 23 GLN -0.08 -0.15 1 24 SER -1.78 0.09 1 25 LEU -3.61 -0.22 1 26 MET 0.73 0.23 1 27 VAL 1.01 -0.24 1 28 LYS -3.05 0.86 1 29 ILE -3.35 0.22 1 30 THR 3.19 -0.07 1 31 LEU 3.78 -0.56 1 32 ASP 2.51 -0.35 1 33 LEU -0.36 -0.13 1 34 LEU -0.71 0.02 1 35 SER 0.90 -0.12 1 36 ARG -1.79 -0.02 1 37 ILE -0.38 -0.30 1 39 GLN 0.22 -0.06 1 43 LYS -0.69 -0.01 1 48 ASP 0.46 -0.08 1 50 GLN -0.06 -0.07 1 51 ILE 0.13 -0.09 1 52 LYS -0.41 0.01 1 55 GLU -0.45 -0.08 1 57 ASP -1.75 0.00 1 58 LYS 3.82 -0.42 1 59 ALA 3.49 -0.14 1 60 TYR 2.50 -0.09 1 61 LEU 4.50 -0.58 1 62 ASP 4.77 -0.36 1 63 GLU 3.62 -0.35 1 64 LEU 3.34 -0.49 1 65 VAL 5.90 -0.66 1 66 GLU 2.92 -0.10 1 67 LEU 3.18 -0.25 1 68 HIS 4.59 -1.08 1 69 ARG 4.21 -0.52 1 70 ARG 3.06 -0.39 1 71 LEU 2.90 -0.35 1 72 MET 2.49 -0.02 1 73 THR -0.53 0.04 1 74 LEU 0.34 -0.10 1 75 ARG -2.29 0.18 1 76 GLU 0.42 -0.02 1 77 ARG 5.15 -0.59 1 78 HIS 5.07 -0.37 1 79 ILE 3.35 -0.40 1 80 LEU 3.71 -0.53 1 81 GLN 3.52 -0.73 1 82 GLN 4.34 -0.59 1 83 ILE 5.89 -0.78 1 84 VAL 7.03 -1.32 1 85 ASN 5.47 -0.72 1 86 LEU 3.09 -0.20 1 87 ILE 4.53 -0.54 1 88 GLU 3.39 -0.39 1 89 GLU 2.52 -0.29 1 90 THR -0.27 -0.03 1 92 HIS 0.61 0.17 1 93 PHE -4.35 0.63 1 94 HIS -3.71 -0.13 1 95 ILE -1.57 0.72 1 96 THR -2.17 0.52 1 97 ASN 3.52 -0.24 1 98 THR -1.99 0.27 1 99 THR -3.56 0.89 1 100 PHE -2.04 0.12 1 102 PHE -3.48 0.20 1 103 ASP -3.93 0.36 1 104 LEU 2.35 -0.26 1 106 SER -0.59 -0.04 1 107 LEU -2.87 0.14 1 108 ASP -1.83 -0.02 1 109 LYS 4.83 -0.21 1 110 THR 5.96 -0.47 1 111 THR 7.34 -0.56 1 112 VAL 7.29 -0.76 1 113 ARG 4.27 0.05 1 114 LYS 4.05 -0.41 1 115 LEU 3.27 -0.60 1 116 GLN 4.60 -0.47 1 117 SER 4.14 -0.20 1 118 TYR 2.36 0.01 1 119 LEU 1.57 -0.15 1 120 GLU 1.00 -0.08 1 121 THR 0.91 0.04 1 122 SER 0.56 -0.58 1 124 THR -0.22 0.04 1 125 SER 0.85 -0.65 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18094_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.35 _LACS_plot.Line_1_terminator_val_y_1 -1.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.62 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 3.45 _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 103 ASP -3.93 3.01 0 10 THR 0.92 0.77 1 11 LYS 1.07 0.25 1 12 LEU 0.09 -0.30 1 13 LEU 0.01 -0.33 1 18 ASP 0.01 0.01 1 23 GLN -0.08 -0.14 1 24 SER -1.78 -0.39 1 25 LEU -3.61 -2.12 1 26 MET 0.73 0.33 1 27 VAL 1.01 -1.74 1 28 LYS -3.05 -0.26 1 29 ILE -3.35 0.36 1 30 THR 3.19 1.14 1 31 LEU 3.78 1.18 1 32 ASP 2.51 0.84 1 33 LEU -0.36 -0.88 1 34 LEU -0.71 -0.45 1 35 SER 0.90 0.49 1 36 ARG -1.79 -1.81 1 47 SER 0.04 0.51 1 48 ASP 0.46 0.26 1 49 LYS 0.12 0.10 1 50 GLN -0.06 0.31 1 51 ILE 0.13 0.05 1 52 LYS -0.41 -0.11 1 53 ASN 0.36 1.00 1 55 GLU -0.45 0.16 1 57 ASP -1.75 0.08 1 59 ALA 3.49 2.44 1 61 LEU 4.50 1.31 1 62 ASP 4.77 3.42 1 63 GLU 3.62 3.22 1 64 LEU 3.34 1.18 1 65 VAL 5.90 2.56 1 66 GLU 2.92 1.61 1 67 LEU 3.18 0.41 1 68 HIS 4.59 2.41 1 69 ARG 4.21 3.29 1 70 ARG 3.06 3.42 1 71 LEU 2.90 1.19 1 72 MET 2.49 1.79 1 73 THR -0.53 0.34 1 74 LEU 0.34 0.09 1 75 ARG -2.29 -0.99 1 76 GLU 0.42 0.45 1 78 HIS 5.07 3.83 1 79 ILE 3.35 1.62 1 80 LEU 3.71 0.64 1 81 GLN 3.52 1.66 1 82 GLN 4.34 3.21 1 83 ILE 5.89 0.51 1 84 VAL 7.03 0.83 1 85 ASN 5.47 2.87 1 86 LEU 3.09 1.32 1 87 ILE 4.53 3.98 1 88 GLU 3.39 2.22 1 89 GLU 2.52 1.47 1 90 THR -0.27 2.10 1 92 HIS 0.61 -0.43 1 93 PHE -4.35 -2.24 1 94 HIS -3.71 -0.98 1 95 ILE -1.57 0.39 1 96 THR -2.17 -0.35 1 97 ASN 3.52 1.66 1 98 THR -1.99 1.48 1 99 THR -3.56 -2.87 1 100 PHE -2.04 -1.78 1 101 ASP -2.36 0.31 1 102 PHE -3.48 -3.24 1 104 LEU 2.35 1.13 1 106 SER -0.59 -0.33 1 107 LEU -2.87 -0.53 1 108 ASP -1.83 0.41 1 109 LYS 4.83 2.39 1 110 THR 5.96 2.61 1 111 THR 7.34 1.84 1 112 VAL 7.29 1.25 1 113 ARG 4.27 3.54 1 114 LYS 4.05 2.23 1 115 LEU 3.27 1.10 1 116 GLN 4.60 3.36 1 117 SER 4.14 2.68 1 118 TYR 2.36 2.20 1 119 LEU 1.57 0.64 1 120 GLU 1.00 1.03 1 121 THR 0.91 0.88 1 122 SER 0.56 1.12 1 124 THR -0.22 -0.04 1 stop_ save_