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 bmr26509_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 7.46 _LACS_plot.Line_2_terminator_val_y_2 5.09 _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 91 THR -4.54 1.40 0 31 HIS 0.89 5.18 0 10 LYS 4.09 0.99 1 12 ASN 0.17 -0.44 1 13 ARG 1.29 -0.47 1 14 ASP 1.75 1.09 1 15 LYS 3.92 2.68 1 16 GLU 1.61 2.12 1 19 GLN 0.76 0.88 1 20 LEU 1.51 0.25 1 21 LEU -0.27 -0.77 1 22 ILE -3.72 -1.50 1 23 SER -0.12 -0.01 1 24 GLU -0.53 -0.33 1 25 ASN 4.36 1.34 1 26 GLN 3.74 -0.65 1 27 LYS -2.95 -1.11 1 28 VAL -6.46 -2.67 1 29 ALA -3.35 -0.68 1 30 ALA 0.79 3.27 1 32 HIS 6.47 4.01 1 33 LYS 7.46 3.49 1 35 MET 1.85 2.57 1 36 LEU 1.01 0.96 1 37 PHE 4.00 3.13 1 38 SER 4.43 4.61 1 39 SER -0.89 -1.22 1 40 ALA -1.98 -0.95 1 41 LEU -3.10 -1.39 1 42 VAL 1.10 0.41 1 43 SER -1.29 -0.59 1 44 SER 1.35 0.86 1 45 HIS -1.12 -0.79 1 46 SER 0.85 0.48 1 47 ASP -0.23 -0.01 1 48 ASN 0.59 0.60 1 49 GLU -2.52 -0.62 1 50 SER -2.61 -1.91 1 51 LEU -2.18 -0.74 1 54 PHE -0.77 -0.72 1 55 SER 5.45 4.14 1 56 ILE 3.89 3.07 1 57 GLU 4.45 3.01 1 58 ASP 6.80 5.67 1 59 VAL 4.59 4.21 1 60 GLN 4.42 3.88 1 61 LYS 1.05 1.08 1 62 GLU 5.77 4.63 1 63 ILE 4.63 3.26 1 64 LYS 4.08 4.33 1 65 ARG 3.77 3.80 1 67 THR -1.04 -1.24 1 68 LYS -2.04 -1.55 1 69 LEU -1.98 -3.07 1 70 MET 4.52 3.93 1 72 SER -0.83 1.23 1 73 LEU 1.24 1.91 1 75 HIS -0.52 -2.22 1 79 ALA 2.04 0.30 1 80 THR 2.08 -0.22 1 81 ILE 0.90 3.06 1 84 ASP 4.59 2.19 1 85 VAL 3.76 2.45 1 86 LYS 0.56 -0.75 1 87 THR -0.09 0.27 1 89 HIS 2.66 2.05 1 90 ARG -2.66 -1.47 1 92 TYR -0.86 2.29 1 93 HIS 7.33 7.01 1 94 TYR 3.58 3.59 1 95 HIS 6.18 2.18 1 97 ALA 3.61 2.27 1 98 LEU 2.22 3.05 1 99 HIS -2.25 -1.10 1 100 ASP 5.17 0.39 1 101 LYS -0.41 -0.24 1 102 ALA -4.49 -1.18 1 103 GLN -0.36 -1.14 1 104 ILE -2.36 -1.05 1 105 ARG -5.35 -2.26 1 106 GLU -3.26 -3.49 1 107 LYS 4.35 2.67 1 109 SER -2.36 -0.70 1 110 GLN -1.56 -0.86 1 112 ILE -0.16 -0.80 1 113 TYR -5.24 -0.74 1 114 MET -4.76 -2.43 1 115 VAL -5.07 -2.36 1 116 TYR 4.26 2.75 1 118 ARG 1.78 1.05 1 119 LYS -0.37 3.38 1 120 HIS 0.71 0.46 1 121 LYS -0.40 -0.51 1 122 LYS 0.05 0.01 1 123 THR -0.12 0.02 1 124 ALA -0.19 0.86 1 125 HIS 0.14 0.10 1 126 ASN 0.86 1.75 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26509_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 3.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.85 _LACS_plot.Line_2_terminator_val_x_2 7.46 _LACS_plot.Line_2_terminator_val_y_2 -2.37 _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 91 THR -4.54 5.94 0 31 HIS 0.89 4.29 0 10 LYS 4.09 -3.10 1 12 ASN 0.17 -0.61 1 13 ARG 1.29 -1.76 1 14 ASP 1.75 -0.66 1 15 LYS 3.92 -1.24 1 16 GLU 1.61 0.51 1 19 GLN 0.76 0.12 1 20 LEU 1.51 -1.26 1 21 LEU -0.27 -0.50 1 22 ILE -3.72 2.22 1 23 SER -0.12 0.11 1 24 GLU -0.53 0.20 1 25 ASN 4.36 -3.02 1 26 GLN 3.74 -4.39 1 27 LYS -2.95 1.84 1 28 VAL -6.46 3.79 1 29 ALA -3.35 2.67 1 30 ALA 0.79 2.48 1 32 HIS 6.47 -2.46 1 33 LYS 7.46 -3.97 1 35 MET 1.85 0.72 1 36 LEU 1.01 -0.05 1 37 PHE 4.00 -0.87 1 38 SER 4.43 0.18 1 39 SER -0.89 -0.33 1 40 ALA -1.98 1.03 1 41 LEU -3.10 1.71 1 42 VAL 1.10 -0.69 1 43 SER -1.29 0.70 1 44 SER 1.35 -0.49 1 45 HIS -1.12 0.33 1 46 SER 0.85 -0.37 1 47 ASP -0.23 0.22 1 48 ASN 0.59 0.01 1 49 GLU -2.52 1.90 1 50 SER -2.61 0.70 1 51 LEU -2.18 1.44 1 54 PHE -0.77 0.05 1 55 SER 5.45 -1.31 1 56 ILE 3.89 -0.82 1 57 GLU 4.45 -1.44 1 58 ASP 6.80 -1.13 1 59 VAL 4.59 -0.38 1 60 GLN 4.42 -0.54 1 61 LYS 1.05 0.03 1 62 GLU 5.77 -1.14 1 63 ILE 4.63 -1.37 1 64 LYS 4.08 0.25 1 65 ARG 3.77 0.03 1 67 THR -1.04 -0.20 1 68 LYS -2.04 0.49 1 69 LEU -1.98 -1.09 1 70 MET 4.52 -0.59 1 72 SER -0.83 2.06 1 73 LEU 1.24 0.67 1 75 HIS -0.52 -1.70 1 79 ALA 2.04 -1.74 1 80 THR 2.08 -2.30 1 81 ILE 0.90 2.16 1 84 ASP 4.59 -2.40 1 85 VAL 3.76 -1.31 1 86 LYS 0.56 -1.31 1 87 THR -0.09 0.36 1 89 HIS 2.66 -0.61 1 90 ARG -2.66 1.19 1 92 TYR -0.86 3.15 1 93 HIS 7.33 -0.32 1 94 TYR 3.58 0.01 1 95 HIS 6.18 -4.00 1 97 ALA 3.61 -1.34 1 98 LEU 2.22 0.83 1 99 HIS -2.25 1.15 1 100 ASP 5.17 -4.78 1 101 LYS -0.41 0.17 1 102 ALA -4.49 3.31 1 103 GLN -0.36 -0.78 1 104 ILE -2.36 1.31 1 105 ARG -5.35 3.09 1 106 GLU -3.26 -0.23 1 107 LYS 4.35 -1.68 1 109 SER -2.36 1.66 1 110 GLN -1.56 0.70 1 112 ILE -0.16 -0.64 1 113 TYR -5.24 4.50 1 114 MET -4.76 2.33 1 115 VAL -5.07 2.71 1 116 TYR 4.26 -1.51 1 118 ARG 1.78 -0.73 1 119 LYS -0.37 3.75 1 120 HIS 0.71 -0.25 1 121 LYS -0.40 -0.11 1 122 LYS 0.05 -0.04 1 123 THR -0.12 0.14 1 124 ALA -0.19 1.05 1 125 HIS 0.14 -0.04 1 126 ASN 0.86 0.89 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26509_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 0.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _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 7.46 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _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 94 TYR 6.18 -1.89 0 10 LYS 4.09 -0.28 1 12 ASN 0.17 0.38 1 13 ARG 1.29 0.15 1 14 ASP 1.75 -0.30 1 15 LYS 3.92 -0.28 1 16 GLU 1.61 -0.19 1 19 GLN 0.76 -0.33 1 20 LEU 1.51 -0.29 1 21 LEU -0.27 0.21 1 22 ILE -3.72 0.60 1 23 SER -0.12 -0.01 1 25 ASN 4.36 0.12 1 26 GLN 3.74 0.29 1 27 LYS -2.95 0.06 1 28 VAL -6.46 1.12 1 29 ALA -3.35 0.99 1 30 ALA 0.79 0.45 1 31 HIS 0.89 -0.41 1 32 HIS 6.47 -0.63 1 33 LYS 7.46 -0.64 1 35 MET 1.85 -0.82 1 36 LEU 1.01 -0.55 1 37 PHE 4.43 -0.16 1 39 SER -0.89 0.34 1 40 ALA -1.98 0.23 1 41 LEU -3.10 0.38 1 42 VAL 1.10 -0.59 1 43 SER -1.29 0.06 1 44 SER 1.35 -0.17 1 45 HIS -1.12 0.04 1 46 SER 0.85 -0.06 1 47 ASP -0.23 -0.06 1 48 ASN 0.59 -0.33 1 49 GLU -2.52 0.36 1 50 SER -2.61 0.26 1 51 LEU -2.18 0.00 1 54 PHE -0.77 0.11 1 55 SER 5.45 -0.53 1 56 ILE 3.89 0.19 1 57 GLU 4.45 -0.14 1 58 ASP 6.80 -0.58 1 59 VAL 4.59 -0.40 1 60 GLN 4.42 -0.29 1 61 LYS 1.05 0.83 1 62 GLU 5.77 -0.98 1 63 ILE 4.63 -0.21 1 64 LYS 4.08 -0.39 1 65 ARG 3.77 0.10 1 67 THR -1.04 0.15 1 68 LYS -2.04 0.17 1 69 LEU -1.98 -0.05 1 70 MET 4.52 -0.37 1 72 SER -0.83 0.28 1 73 LEU 1.24 -0.73 1 75 HIS -0.52 -0.65 1 79 ALA 2.04 -0.29 1 80 THR 2.08 0.14 1 81 ILE 0.90 -0.33 1 84 ASP 4.59 -0.28 1 85 VAL 3.76 -0.26 1 86 LYS 0.56 -0.20 1 87 THR -0.09 0.15 1 89 HIS 2.66 -0.13 1 90 ARG -2.66 0.61 1 91 THR -4.54 1.33 1 92 TYR -0.86 0.37 1 93 HIS 7.33 -1.13 1 97 ALA 3.61 -0.67 1 98 LEU 2.22 -0.42 1 99 HIS -2.25 0.43 1 100 ASP 5.17 -0.52 1 101 LYS -0.41 -0.22 1 102 ALA -4.49 0.13 1 103 GLN -0.36 0.29 1 104 ILE -2.36 0.36 1 105 ARG -5.35 0.57 1 106 GLU -3.26 0.42 1 107 LYS 4.35 -0.26 1 109 SER -2.36 0.16 1 110 GLN -1.56 -0.21 1 112 ILE -0.16 -0.04 1 113 TYR -5.24 0.45 1 114 MET -4.76 0.93 1 115 VAL -5.07 1.05 1 116 TYR 4.26 -0.47 1 118 ARG 1.78 -0.16 1 119 LYS -0.37 0.03 1 120 HIS 0.71 -0.07 1 121 LYS -0.40 0.04 1 122 LYS 0.05 -0.11 1 123 THR -0.12 -0.13 1 124 ALA -0.19 -0.13 1 125 HIS 0.14 -0.03 1 126 ASN 0.86 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26509_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 -2.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 7.46 _LACS_plot.Line_2_terminator_val_y_2 1.85 _LACS_plot.Y_axis_chem_shift_offset 0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 ALA 0.79 3.91 0 25 ASN 4.36 -3.03 0 91 THR -4.54 1.69 0 10 LYS 4.09 -1.71 1 12 ASN 0.17 0.49 1 13 ARG 1.29 -0.45 1 14 ASP 1.75 0.85 1 15 LYS 3.92 1.92 1 16 GLU 1.61 0.88 1 19 GLN 0.76 -0.14 1 20 LEU 1.51 -3.29 1 21 LEU -0.27 -3.12 1 22 ILE -3.72 -0.56 1 23 SER -0.12 -0.41 1 26 GLN 3.74 -0.46 1 27 LYS -2.95 -4.58 1 28 VAL -6.46 -1.95 1 29 ALA -3.35 -1.14 1 31 HIS 0.89 3.48 1 32 HIS 6.47 0.67 1 33 LYS 7.46 0.36 1 35 MET 1.85 -0.25 1 36 LEU 1.01 -0.64 1 37 PHE 4.00 3.96 1 38 SER 4.43 -0.26 1 39 SER -0.89 -1.68 1 40 ALA -1.98 -2.55 1 41 LEU -3.10 -1.04 1 42 VAL 1.10 -0.59 1 43 SER -1.29 -0.93 1 44 SER 1.35 0.07 1 45 HIS -1.12 -0.61 1 46 SER 0.85 -0.37 1 47 ASP -0.23 -0.69 1 48 ASN 0.59 -2.11 1 49 GLU -2.52 -1.36 1 50 SER -2.18 -0.71 1 54 PHE -0.77 1.32 1 55 SER 5.45 0.78 1 56 ILE 3.89 2.60 1 57 GLU 4.45 3.03 1 58 ASP 6.80 1.38 1 59 VAL 4.59 3.10 1 60 GLN 4.42 1.91 1 61 LYS 1.05 2.34 1 62 GLU 5.77 3.05 1 63 ILE 4.63 3.65 1 64 LYS 4.08 2.88 1 65 ARG 3.77 -0.10 1 67 THR -1.04 -1.15 1 68 LYS -2.04 -3.28 1 69 LEU -1.98 -0.67 1 70 MET 4.52 -1.77 1 72 SER -0.83 -1.42 1 73 LEU -0.52 -2.91 1 79 ALA 2.04 -0.58 1 80 THR 2.08 -1.93 1 81 ILE 0.90 0.34 1 84 ASP 4.59 1.93 1 85 VAL 3.76 1.25 1 86 LYS 0.56 -1.45 1 87 THR -0.09 1.14 1 89 HIS 2.66 -0.89 1 90 ARG -2.66 -3.03 1 92 TYR -0.86 3.01 1 93 HIS 7.33 -0.01 1 94 TYR 3.58 3.02 1 95 HIS 6.18 0.95 1 97 ALA 3.61 3.89 1 98 LEU 2.22 0.31 1 99 HIS -2.25 -0.92 1 100 ASP 5.17 -1.61 1 101 LYS -0.41 -1.27 1 102 ALA -4.49 -2.31 1 103 GLN -0.36 -0.37 1 104 ILE -2.36 -3.55 1 105 ARG -5.35 -1.33 1 106 GLU -3.26 -2.28 1 107 LYS 4.35 0.46 1 109 SER -2.36 -0.46 1 110 GLN -1.56 -3.93 1 112 ILE -0.16 -2.03 1 113 TYR -5.24 -3.25 1 114 MET -4.76 -2.71 1 115 VAL -5.07 -0.03 1 116 TYR 4.26 0.61 1 118 ARG 1.78 0.76 1 119 LYS -0.37 -0.06 1 120 HIS 0.71 -0.11 1 121 LYS -0.40 0.25 1 122 LYS 0.05 -0.69 1 123 THR -0.12 -0.60 1 124 ALA -0.19 0.46 1 125 HIS 0.14 -1.17 1 126 ASN 0.86 3.82 1 stop_ save_