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 bmr6655_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.65 _LACS_plot.Line_1_terminator_val_y_1 -3.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.40 _LACS_plot.Line_2_terminator_val_x_2 6.41 _LACS_plot.Line_2_terminator_val_y_2 5.08 _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 101 MET -6.12 -1.10 0 10 LEU -0.31 -0.18 1 11 ASP -0.24 -0.20 1 12 LEU -0.38 -0.55 1 14 VAL -0.79 -0.12 1 16 LYS 4.01 3.54 1 17 ASP 4.52 3.28 1 18 ALA 2.44 2.10 1 19 VAL 5.76 4.43 1 20 ASN 4.66 2.80 1 21 SER 4.75 3.60 1 22 LEU 3.28 3.06 1 23 ILE 4.45 4.25 1 24 ARG 3.61 3.00 1 25 GLU 0.26 0.76 1 26 ASN -2.69 -0.81 1 27 SER 3.19 2.93 1 28 HIS 1.91 2.59 1 29 ILE -1.09 0.88 1 30 PHE -6.65 -4.42 1 31 SER -5.52 -2.03 1 32 ASP 2.57 3.02 1 33 THR -1.39 -0.92 1 34 GLN -3.07 -0.16 1 36 LYS 3.42 3.12 1 37 VAL 4.22 3.64 1 39 SER 3.00 0.36 1 40 ALA -4.99 -2.64 1 41 VAL 0.70 0.18 1 42 LEU -1.45 -2.37 1 43 ILE 0.47 0.66 1 44 SER -5.20 -2.32 1 45 GLU 3.54 2.99 1 46 SER 5.06 3.36 1 47 GLN 3.82 3.19 1 48 LYS 4.50 3.70 1 49 LEU 4.58 3.31 1 50 ALA 3.20 2.16 1 51 HIS 4.83 5.63 1 52 TYR 4.53 3.93 1 53 GLN -0.41 0.60 1 54 SER -1.16 0.52 1 55 ARG 3.51 2.54 1 56 LYS 4.71 3.97 1 57 HIS 4.12 4.82 1 58 ALA 3.38 2.81 1 59 ASN 3.41 2.60 1 60 LYS 4.03 3.15 1 61 VAL 5.61 4.75 1 62 ARG 4.88 3.80 1 63 ARG 3.42 2.70 1 64 TYR 2.57 3.15 1 65 MET 2.32 1.23 1 66 ALA 1.77 1.31 1 67 ILE 1.33 1.20 1 68 ASN 0.89 0.90 1 69 GLN 0.54 0.49 1 71 GLU -0.34 0.10 1 72 ASP 0.04 0.10 1 73 SER 0.11 0.05 1 74 VAL 0.90 0.61 1 76 ALA 0.03 0.11 1 77 LYS 0.09 -0.03 1 78 LYS 0.18 0.24 1 79 PHE -0.35 -0.17 1 80 LYS -0.57 -0.33 1 81 ALA -0.82 -0.51 1 82 ALA -0.23 -0.18 1 84 ALA -0.21 -0.05 1 85 GLU -0.55 -0.10 1 86 ILE -0.11 -0.11 1 87 SER -0.35 -0.23 1 88 ASP 0.41 0.47 1 90 GLU -0.37 0.07 1 91 ASP 0.04 0.07 1 92 ARG 2.31 1.59 1 93 SER 2.05 1.93 1 94 LYS -1.03 0.75 1 98 VAL 3.08 3.31 1 100 ASN 2.94 0.70 1 102 THR -2.67 -1.86 1 103 PHE -4.57 -2.47 1 104 SER 1.37 0.91 1 105 SER -2.32 -0.90 1 107 VAL 3.86 3.13 1 108 VAL 3.82 3.08 1 109 ALA 1.87 2.19 1 110 GLU 3.40 2.77 1 111 SER 3.22 2.31 1 112 HIS 6.11 4.91 1 113 TYR 5.19 4.03 1 114 ILE -0.28 -0.73 1 116 LYS 3.37 3.07 1 117 THR 6.42 5.05 1 118 HIS 4.21 5.56 1 119 ILE 4.52 3.57 1 120 LYS 4.55 3.26 1 121 ASN 2.81 2.04 1 122 LEU 2.48 2.32 1 123 ARG 2.66 1.83 1 124 LEU 1.42 1.26 1 125 ARG 0.67 0.38 1 126 GLU -0.46 -0.07 1 127 GLN 0.70 1.67 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6655_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.65 _LACS_plot.Line_1_terminator_val_y_1 3.42 _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 0.60 _LACS_plot.Line_2_terminator_val_x_2 6.41 _LACS_plot.Line_2_terminator_val_y_2 -1.33 _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 101 MET -6.12 5.02 0 10 LEU -0.31 0.13 1 11 ASP -0.24 0.04 1 12 LEU -0.38 -0.17 1 14 VAL -0.79 0.67 1 16 LYS 4.01 -0.47 1 17 ASP 4.52 -1.24 1 18 ALA 2.44 -0.34 1 19 VAL 5.76 -1.33 1 20 ASN 4.66 -1.86 1 21 SER 4.75 -1.15 1 22 LEU 3.28 -0.22 1 23 ILE 4.45 -0.20 1 24 ARG 3.61 -0.61 1 25 GLU 0.26 0.50 1 26 ASN -2.69 1.88 1 27 SER 3.19 -0.26 1 28 HIS 1.91 0.68 1 29 ILE -1.09 1.97 1 30 PHE -6.65 2.23 1 31 SER -5.52 3.49 1 32 ASP 2.57 0.45 1 33 THR -1.39 0.47 1 34 GLN -3.07 2.91 1 36 LYS 3.42 -0.30 1 37 VAL 4.22 -0.58 1 39 SER 3.00 -2.64 1 40 ALA -4.99 2.35 1 41 VAL 0.70 -0.52 1 42 LEU -1.45 -0.92 1 43 ILE 0.47 0.19 1 44 SER -5.20 2.88 1 45 GLU 3.54 -0.55 1 46 SER 5.06 -1.70 1 47 GLN 3.82 -0.63 1 48 LYS 4.50 -0.80 1 49 LEU 4.58 -1.27 1 50 ALA 3.20 -1.04 1 51 HIS 4.83 0.80 1 52 TYR 4.53 -0.60 1 53 GLN -0.41 1.01 1 54 SER -1.16 1.68 1 55 ARG 3.51 -0.97 1 56 LYS 4.71 -0.74 1 57 HIS 4.12 0.70 1 58 ALA 3.38 -0.57 1 59 ASN 3.41 -0.81 1 60 LYS 4.03 -0.88 1 61 VAL 5.61 -0.86 1 62 ARG 4.88 -1.08 1 63 ARG 3.42 -0.72 1 64 TYR 2.57 0.58 1 65 MET 2.32 -1.09 1 66 ALA 1.77 -0.46 1 67 ILE 1.33 -0.13 1 68 ASN 0.89 0.01 1 69 GLN 0.54 -0.05 1 71 GLU -0.34 0.44 1 72 ASP 0.04 0.06 1 73 SER 0.11 -0.06 1 74 VAL 0.90 -0.29 1 76 ALA 0.03 0.08 1 77 LYS 0.09 -0.12 1 78 LYS 0.18 0.06 1 79 PHE -0.35 0.18 1 80 LYS -0.57 0.24 1 81 ALA -0.82 0.31 1 82 ALA -0.23 0.05 1 84 ALA -0.21 0.16 1 85 GLU -0.55 0.45 1 86 ILE -0.11 0.00 1 87 SER -0.35 0.12 1 88 ASP 0.41 0.06 1 90 GLU -0.37 0.44 1 91 ASP 0.04 0.03 1 92 ARG 2.31 -0.72 1 93 SER 2.05 -0.12 1 94 LYS -1.03 1.78 1 98 VAL 3.08 0.23 1 100 ASN 2.94 -2.24 1 102 THR -2.67 0.81 1 103 PHE -4.57 2.10 1 104 SER 1.37 -0.46 1 105 SER -2.32 1.42 1 107 VAL 3.86 -0.73 1 108 VAL 3.82 -0.74 1 109 ALA 1.87 0.32 1 110 GLU 3.40 -0.63 1 111 SER 3.22 -0.91 1 112 HIS 6.11 -1.20 1 113 TYR 5.19 -1.16 1 114 ILE -0.28 -0.45 1 116 LYS 3.37 -0.30 1 117 THR 6.42 -1.37 1 118 HIS 4.21 1.35 1 119 ILE 4.52 -0.95 1 120 LYS 4.55 -1.29 1 121 ASN 2.81 -0.77 1 122 LEU 2.48 -0.16 1 123 ARG 2.66 -0.83 1 124 LEU 1.42 -0.16 1 125 ARG 0.67 -0.29 1 126 GLU -0.46 0.39 1 127 GLN 0.70 0.97 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6655_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.65 _LACS_plot.Line_1_terminator_val_y_1 0.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 6.41 _LACS_plot.Line_2_terminator_val_y_2 -0.52 _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 109 ALA 1.87 -2.06 0 10 LEU -0.31 0.02 1 11 ASP -0.24 0.00 1 12 LEU -0.38 0.01 1 14 VAL -0.79 0.14 1 16 LYS 4.01 -0.51 1 17 ASP 4.52 -0.17 1 18 ALA 2.44 -0.14 1 19 VAL 5.76 -0.71 1 20 ASN 4.66 -0.26 1 21 SER 4.75 -0.24 1 22 LEU 3.28 -0.19 1 23 ILE 4.45 -0.53 1 24 ARG 3.61 -0.25 1 25 GLU 0.26 -0.03 1 26 ASN -2.69 0.60 1 27 SER 3.19 0.43 1 28 HIS 1.91 -0.10 1 29 ILE -1.09 0.28 1 30 PHE -6.65 1.19 1 31 SER -5.52 0.45 1 32 ASP 2.57 -0.22 1 33 THR -1.39 0.68 1 34 GLN -3.07 0.73 1 36 LYS 3.42 -0.05 1 37 VAL 4.22 -0.53 1 39 SER 3.00 -0.50 1 40 ALA -4.99 0.35 1 41 VAL 0.70 0.04 1 42 LEU -1.45 0.37 1 43 ILE 0.47 0.19 1 44 SER -5.20 0.35 1 45 GLU 3.54 -0.19 1 46 SER 5.06 -0.27 1 47 GLN 3.82 -0.18 1 48 LYS 4.50 -0.26 1 49 LEU 4.58 -0.35 1 50 ALA 3.20 -0.25 1 51 HIS 4.83 -0.80 1 52 TYR 4.53 -1.15 1 53 GLN -0.41 0.02 1 54 SER -1.16 0.02 1 55 ARG 3.51 -0.26 1 56 LYS 4.71 -0.25 1 57 HIS 4.12 -0.59 1 58 ALA 3.38 -0.45 1 59 ASN 3.41 -0.29 1 60 LYS 4.03 -0.30 1 61 VAL 5.61 -0.48 1 62 ARG 4.88 -0.25 1 63 ARG 3.42 -0.17 1 64 TYR 2.57 -0.33 1 65 MET 2.32 -0.21 1 66 ALA 1.77 -0.05 1 67 ILE 1.33 -0.08 1 68 ASN 0.89 -0.10 1 69 GLN 0.54 0.02 1 71 GLU -0.34 -0.02 1 72 ASP 0.04 0.02 1 73 SER 0.11 -0.01 1 74 VAL 0.90 -0.01 1 76 ALA 0.03 -0.03 1 77 LYS 0.09 -0.02 1 78 LYS 0.18 0.01 1 79 PHE -0.35 0.02 1 80 LYS -0.57 -0.04 1 81 ALA -0.82 -0.03 1 82 ALA -0.23 -0.01 1 84 ALA -0.21 0.00 1 85 GLU -0.55 -0.01 1 86 ILE -0.11 0.08 1 87 SER -0.35 0.07 1 88 ASP 0.41 0.02 1 90 GLU -0.37 -0.01 1 91 ASP 0.04 0.07 1 92 ARG 2.31 0.37 1 93 SER 2.05 -0.08 1 94 LYS -1.03 0.36 1 98 VAL 3.08 -0.21 1 100 ASN 2.94 -0.47 1 101 MET -6.12 0.14 1 102 THR -2.67 -0.05 1 103 PHE -4.57 0.48 1 104 SER 1.37 -0.04 1 105 SER -2.32 0.36 1 107 VAL 3.86 -0.23 1 108 VAL 3.82 -0.37 1 110 GLU 3.40 -0.27 1 111 SER 3.22 -0.25 1 112 HIS 6.11 -0.66 1 113 TYR 5.19 -1.04 1 114 ILE -0.28 0.44 1 116 LYS 3.37 -0.37 1 117 THR 6.42 -0.46 1 118 HIS 4.21 -0.73 1 119 ILE 4.52 -0.62 1 120 LYS 4.55 -0.28 1 121 ASN 2.81 -0.16 1 122 LEU 2.48 -0.38 1 123 ARG 2.66 -0.16 1 124 LEU 1.42 -0.09 1 125 ARG 0.67 0.02 1 126 GLU -0.46 0.01 1 127 GLN 0.70 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6655_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.65 _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 1.00 _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 6.41 _LACS_plot.Line_2_terminator_val_y_2 2.75 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 SER -5.20 -0.31 0 101 MET -6.12 -2.55 0 51 HIS 4.83 5.00 0 30 PHE -6.65 -1.86 0 31 SER -5.52 -0.10 0 10 LEU -0.31 -0.77 1 11 ASP -0.24 -0.83 1 14 VAL -0.79 0.21 1 17 ASP 4.52 2.41 1 18 ALA 2.44 3.13 1 19 VAL 5.76 0.30 1 20 ASN 4.66 3.56 1 21 SER 4.75 0.62 1 22 LEU 3.28 2.27 1 23 ILE 4.45 0.98 1 24 ARG 3.61 2.98 1 25 GLU 0.26 -0.06 1 26 ASN -2.69 0.75 1 27 SER 3.19 0.34 1 28 HIS 1.91 2.12 1 29 ILE -1.09 -2.79 1 32 ASP 2.57 -0.20 1 33 THR -1.39 1.39 1 34 GLN -3.07 -2.46 1 36 LYS 3.42 1.93 1 37 VAL 4.22 1.76 1 39 SER 3.00 -1.48 1 40 ALA -4.99 -2.06 1 41 VAL 0.70 -1.16 1 42 LEU -1.45 -0.79 1 43 ILE 0.47 -0.93 1 45 GLU 3.54 1.84 1 46 SER 5.06 3.21 1 47 GLN 3.82 2.74 1 48 LYS 4.50 0.90 1 50 ALA 3.20 2.67 1 52 TYR 4.53 -0.13 1 53 GLN -0.41 -0.40 1 54 SER -1.16 1.18 1 56 LYS 4.71 2.37 1 57 HIS 4.12 1.74 1 58 ALA 3.38 2.88 1 59 ASN 3.41 3.00 1 61 VAL 5.61 1.05 1 62 ARG 4.88 3.03 1 63 ARG 3.42 1.34 1 64 TYR 2.57 2.05 1 65 MET 2.32 1.14 1 66 ALA 1.77 1.28 1 67 ILE 1.33 0.49 1 68 ASN 0.89 -0.03 1 69 GLN 0.54 0.47 1 71 GLU -0.34 -0.15 1 72 ASP 0.04 -0.05 1 73 SER 0.11 -0.32 1 76 ALA 0.03 0.22 1 77 LYS 0.09 1.53 1 78 LYS 0.18 -0.41 1 79 PHE -0.35 -0.48 1 80 LYS -0.57 -1.18 1 81 ALA -0.82 -0.89 1 84 ALA -0.21 -0.03 1 85 GLU -0.55 -0.10 1 86 ILE -0.11 -0.11 1 87 SER -0.35 -0.13 1 88 ASP 0.41 0.61 1 90 GLU -0.37 -0.20 1 91 ASP 0.04 1.15 1 92 ARG 2.31 1.45 1 94 LYS -1.03 0.36 1 98 VAL 3.08 1.39 1 100 ASN 2.94 -1.55 1 102 THR -2.67 -1.53 1 104 SER 1.37 -0.62 1 107 VAL 3.86 2.35 1 108 VAL 3.82 2.51 1 109 ALA 1.87 0.45 1 110 GLU 3.40 2.95 1 111 SER 3.22 1.69 1 112 HIS 6.11 4.52 1 113 TYR 5.19 -0.45 1 114 ILE -0.28 -0.03 1 116 LYS 3.37 2.59 1 117 THR 6.42 0.37 1 118 HIS 4.21 2.29 1 119 ILE 4.52 2.09 1 120 LYS 4.55 2.39 1 121 ASN 2.81 1.34 1 122 LEU 2.48 1.47 1 123 ARG 2.66 2.05 1 124 LEU 1.42 0.66 1 125 ARG 0.67 0.20 1 126 GLU -0.46 -0.94 1 stop_ save_