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 bmr18282_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.11 _LACS_plot.Line_1_terminator_val_y_1 -2.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.85 _LACS_plot.Line_2_terminator_val_x_2 7.52 _LACS_plot.Line_2_terminator_val_y_2 5.57 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 122 HIS -4.11 2.38 0 10 TYR 4.25 3.41 1 11 VAL 6.64 4.72 1 12 GLU 0.83 -0.63 1 13 GLN -1.69 -1.41 1 14 LEU 4.79 3.08 1 15 LYS 5.14 4.15 1 16 GLN 4.22 2.61 1 17 ALA 3.70 2.29 1 18 LEU 4.33 2.63 1 20 THR 3.99 2.84 1 21 ARG -0.39 -1.84 1 23 VAL -0.26 -0.57 1 24 LYS 0.44 -0.39 1 25 VAL -2.90 -1.88 1 26 LYS 0.18 -0.99 1 27 TYR 0.28 -1.48 1 28 ALA 3.48 2.41 1 29 ASP 3.40 2.26 1 30 LEU 3.25 1.74 1 31 LEU 4.81 3.00 1 32 LYS 4.25 2.88 1 34 PHE 6.55 4.11 1 35 ASP 5.60 4.08 1 36 PHE 4.95 3.72 1 37 VAL 7.23 4.95 1 38 LYS 4.79 3.32 1 39 ASP 2.50 2.38 1 43 TRP 6.09 4.26 1 44 PHE 3.56 2.63 1 46 GLN 2.27 1.62 1 47 GLU -0.86 0.03 1 49 THR 1.36 -2.02 1 50 ILE -4.00 -2.57 1 51 ASP 1.90 0.80 1 52 ILE 4.95 3.73 1 53 LYS 2.20 2.60 1 55 TRP 5.51 4.20 1 56 ARG 4.98 3.83 1 57 ARG 5.83 3.72 1 58 VAL 4.16 2.71 1 60 ASP 3.13 0.14 1 62 PHE 4.45 3.39 1 63 GLN 3.43 3.10 1 64 ASP 3.45 2.45 1 65 TYR 3.70 3.83 1 66 TYR 3.23 2.19 1 67 ASN 3.74 3.42 1 68 THR -0.43 0.71 1 69 PHE 3.02 1.97 1 72 GLU -1.73 -0.94 1 73 LYS -2.52 -1.36 1 74 VAL 4.70 3.12 1 76 VAL 2.44 1.00 1 77 THR 4.13 2.59 1 78 ALA 5.87 3.96 1 79 PHE 6.83 2.13 1 81 TYR 7.52 6.48 1 82 TRP 3.36 3.58 1 83 ASN 3.95 3.13 1 84 LEU 4.95 0.25 1 85 ILE 5.92 3.83 1 86 LYS 3.03 2.35 1 87 GLU 3.55 2.59 1 88 LEU 5.22 3.98 1 89 ILE 4.03 3.48 1 90 ASP -0.51 -1.60 1 91 LYS 0.34 -1.00 1 92 LYS 0.18 -0.30 1 93 GLU 3.01 2.46 1 94 VAL 1.01 -0.01 1 97 GLN 6.91 5.58 1 98 VAL 3.73 2.19 1 100 ALA 4.19 2.51 1 101 ALA -0.03 -0.35 1 102 VAL -0.23 -0.31 1 103 ALA -3.22 -0.04 1 104 GLN 0.20 -0.14 1 105 THR -0.08 0.02 1 106 GLU 0.25 0.12 1 107 GLU 0.79 0.15 1 108 ILE 0.47 0.00 1 109 LEU 0.60 -0.08 1 110 LYS 0.47 0.16 1 111 SER 0.62 0.49 1 112 ASN 0.93 0.62 1 113 SER 0.54 0.34 1 114 GLN 0.81 0.42 1 115 THR 0.58 0.09 1 116 ASP 0.82 0.38 1 117 LEU 0.38 -0.03 1 118 GLU 0.79 0.42 1 119 HIS 1.12 2.04 1 121 HIS 0.20 0.37 1 123 HIS 1.34 1.88 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18282_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.11 _LACS_plot.Line_1_terminator_val_y_1 1.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.15 _LACS_plot.Line_2_terminator_val_x_2 7.52 _LACS_plot.Line_2_terminator_val_y_2 -1.95 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 122 HIS -4.11 6.49 0 10 TYR 4.25 -0.84 1 11 VAL 6.64 -1.92 1 12 GLU 0.83 -1.46 1 13 GLN -1.69 0.28 1 14 LEU 4.79 -1.71 1 15 LYS 5.14 -0.99 1 16 GLN 4.22 -1.61 1 17 ALA 3.70 -1.41 1 18 LEU 4.33 -1.70 1 20 THR 3.99 -1.15 1 21 ARG -0.39 -1.45 1 23 VAL -0.26 -0.31 1 24 LYS 0.44 -0.83 1 25 VAL -2.90 1.02 1 26 LYS 0.18 -1.17 1 27 TYR 0.28 -1.76 1 28 ALA 3.48 -1.07 1 29 ASP 3.40 -1.14 1 30 LEU 3.25 -1.51 1 31 LEU 4.81 -1.81 1 32 LYS 4.25 -1.37 1 34 PHE 6.55 -2.44 1 35 ASP 5.60 -1.52 1 36 PHE 4.95 -1.23 1 37 VAL 7.23 -2.28 1 38 LYS 4.79 -1.47 1 39 ASP 2.50 -0.12 1 43 TRP 6.09 -1.83 1 44 PHE 3.56 -0.93 1 46 GLN 2.27 -0.65 1 47 GLU -0.86 0.89 1 49 THR 1.36 -3.38 1 50 ILE -4.00 1.43 1 51 ASP 1.90 -1.10 1 52 ILE 4.95 -1.22 1 53 LYS 2.20 0.40 1 55 TRP 5.51 -1.31 1 56 ARG 4.98 -1.15 1 57 ARG 5.83 -2.11 1 58 VAL 4.16 -1.45 1 60 ASP 3.13 -2.99 1 62 PHE 4.45 -1.06 1 63 GLN 3.43 -0.33 1 64 ASP 3.45 -1.00 1 65 TYR 3.70 0.13 1 66 TYR 3.23 -1.04 1 67 ASN 3.74 -0.32 1 68 THR -0.43 1.14 1 69 PHE 3.02 -1.05 1 72 GLU -1.73 0.79 1 73 LYS -2.52 1.16 1 74 VAL 4.70 -1.58 1 76 VAL 2.44 -1.44 1 77 THR 4.13 -1.54 1 78 ALA 5.87 -1.91 1 79 PHE 6.83 -4.70 1 81 TYR 7.52 -1.04 1 82 TRP 3.36 0.22 1 83 ASN 3.95 -0.82 1 84 LEU 4.95 -4.70 1 85 ILE 5.92 -2.09 1 86 LYS 3.03 -0.68 1 87 GLU 3.55 -0.96 1 88 LEU 5.22 -1.24 1 89 ILE 4.03 -0.55 1 90 ASP -0.51 -1.09 1 91 LYS 0.34 -1.34 1 92 LYS 0.18 -0.48 1 93 GLU 3.01 -0.55 1 94 VAL 1.01 -1.02 1 97 GLN 6.91 -1.33 1 98 VAL 3.73 -1.54 1 100 ALA 4.19 -1.68 1 101 ALA -0.03 -0.32 1 102 VAL -0.23 -0.08 1 103 ALA -3.22 3.18 1 104 GLN 0.20 -0.34 1 105 THR -0.08 0.10 1 106 GLU 0.25 -0.13 1 107 GLU 0.79 -0.64 1 108 ILE 0.47 -0.47 1 109 LEU 0.60 -0.68 1 110 LYS 0.47 -0.31 1 111 SER 0.62 -0.13 1 112 ASN 0.93 -0.31 1 113 SER 0.54 -0.20 1 114 GLN 0.81 -0.39 1 115 THR 0.58 -0.49 1 116 ASP 0.82 -0.44 1 117 LEU 0.38 -0.41 1 118 GLU 0.79 -0.37 1 119 HIS 1.12 0.92 1 121 HIS 0.20 0.17 1 123 HIS 1.34 0.54 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18282_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.00 _LACS_plot.Line_1_terminator_val_y_1 0.16 _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 0.04 _LACS_plot.Line_2_terminator_val_x_2 7.52 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 GLN -1.69 -0.68 0 10 TYR 4.25 -0.36 1 11 VAL 6.64 -1.00 1 12 GLU 0.83 -0.14 1 14 LEU 4.79 -0.47 1 15 LYS 5.14 -0.58 1 16 GLN 4.22 -0.48 1 17 ALA 3.70 -0.53 1 18 LEU 4.33 -0.56 1 20 THR 3.99 -0.22 1 21 ARG -0.39 0.03 1 23 VAL -0.26 -0.08 1 24 LYS 0.44 0.02 1 25 VAL -2.90 0.02 1 26 LYS 0.18 -0.20 1 28 ALA 3.48 -0.61 1 29 ASP 3.40 -0.26 1 30 LEU 3.25 -0.85 1 31 LEU 4.81 -0.73 1 32 LYS 4.25 -0.12 1 34 PHE 6.55 -0.82 1 37 VAL 7.23 -1.02 1 38 LYS 4.79 -0.85 1 39 ASP 2.50 -0.38 1 43 TRP 6.09 -0.30 1 44 PHE 3.56 -0.40 1 46 GLN 2.27 -0.26 1 47 GLU -0.86 -0.10 1 49 THR 1.36 -0.04 1 50 ILE -4.00 -0.02 1 51 ASP 1.90 -0.02 1 52 ILE 4.95 -0.20 1 53 LYS 2.20 0.09 1 55 TRP 5.51 0.07 1 56 ARG 4.98 -0.15 1 57 ARG 5.83 -0.44 1 58 VAL 4.16 -0.38 1 60 ASP 3.13 -0.50 1 62 PHE 4.45 -0.14 1 63 GLN 3.43 -0.16 1 64 ASP 3.45 0.05 1 65 TYR 3.70 -0.51 1 66 TYR 3.23 -0.36 1 67 ASN 3.74 -0.48 1 68 THR -0.43 0.01 1 69 PHE 3.02 -0.29 1 72 GLU -1.73 0.06 1 73 LYS -2.52 -0.02 1 74 VAL 4.70 -0.20 1 76 VAL 2.44 -0.44 1 77 THR 4.13 -0.32 1 78 ALA 5.87 -0.17 1 79 PHE 6.83 -0.42 1 81 TYR 7.52 -0.22 1 82 TRP 3.36 -0.51 1 83 ASN 3.95 -0.29 1 84 LEU 4.95 -0.71 1 85 ILE 5.92 -1.09 1 86 LYS 3.03 -0.49 1 87 GLU 3.55 -0.43 1 88 LEU 5.22 -0.83 1 89 ILE 4.03 -0.75 1 90 ASP 0.34 0.22 1 92 LYS 0.18 -0.07 1 93 GLU 3.01 -0.67 1 94 VAL 1.01 -0.39 1 97 GLN 6.91 -0.68 1 98 VAL 3.73 -0.10 1 100 ALA 4.19 -0.32 1 101 ALA -0.03 -0.03 1 102 VAL -0.23 -0.03 1 103 ALA -3.22 -0.06 1 104 GLN 0.20 -0.06 1 105 THR -0.08 -0.11 1 106 GLU 0.25 -0.17 1 107 GLU 0.79 -0.12 1 108 ILE 0.47 -0.04 1 109 LEU 0.60 -0.04 1 110 LYS 0.47 -0.08 1 111 SER 0.62 -0.04 1 112 ASN 0.93 -0.09 1 113 SER 0.54 0.01 1 114 GLN 0.81 -0.11 1 115 THR 0.58 -0.06 1 116 ASP 0.82 -0.18 1 117 LEU 0.38 -0.26 1 118 GLU 0.79 -0.25 1 119 HIS 0.20 -0.14 1 122 HIS 1.34 -0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18282_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.00 _LACS_plot.Line_1_terminator_val_y_1 -1.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.66 _LACS_plot.Line_2_terminator_val_x_2 7.22 _LACS_plot.Line_2_terminator_val_y_2 2.24 _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 18 LEU 4.33 -2.66 0 50 ILE 1.36 -3.79 0 10 TYR 4.25 0.74 1 11 VAL 6.64 0.98 1 12 GLU 0.83 -1.39 1 15 LYS 5.14 1.22 1 17 ALA 3.70 1.35 1 20 THR 3.99 0.77 1 21 ARG -0.39 0.06 1 23 VAL -0.26 -0.70 1 24 LYS 0.44 -1.05 1 25 VAL -2.90 -2.09 1 28 ALA 3.48 2.41 1 29 ASP 3.40 2.13 1 31 LEU 4.81 1.52 1 32 LYS 4.25 3.44 1 34 PHE 6.55 0.55 1 35 ASP 5.60 0.79 1 36 PHE 4.95 2.99 1 37 VAL 7.23 -0.15 1 38 LYS 4.79 -0.24 1 43 TRP 6.09 0.88 1 46 GLN 3.56 1.23 1 47 GLU 2.27 2.53 1 51 ASP -4.00 -0.53 1 52 ILE 1.90 0.56 1 53 LYS 4.95 3.85 1 55 TRP 2.20 3.85 1 56 ARG 5.51 1.80 1 57 ARG 4.98 3.14 1 58 VAL 5.83 0.26 1 60 ASP 4.16 2.24 1 62 PHE 3.13 2.28 1 63 GLN 4.45 1.65 1 65 TYR 3.45 2.62 1 66 TYR 3.70 2.32 1 67 ASN 3.23 1.43 1 68 THR 3.74 0.13 1 69 PHE -0.43 0.70 1 72 GLU 3.02 0.64 1 73 LYS -1.73 -0.94 1 77 THR 2.44 1.03 1 78 ALA 4.13 1.73 1 79 PHE 5.87 2.79 1 81 TYR 6.83 1.80 1 83 ASN 3.36 0.94 1 84 LEU 3.95 0.77 1 85 ILE 4.95 0.41 1 86 LYS 5.92 0.62 1 87 GLU 3.03 2.21 1 93 GLU 0.18 -0.99 1 97 GLN 1.01 3.27 1 100 ALA 3.73 1.80 1 101 ALA 4.19 3.17 1 102 VAL -0.03 -0.63 1 103 ALA -0.23 -0.46 1 105 THR 0.20 -0.32 1 106 GLU -0.08 -0.27 1 107 GLU 0.25 -0.20 1 108 ILE 0.79 -0.14 1 109 LEU 0.47 -0.32 1 110 LYS 0.60 0.01 1 111 SER 0.47 0.57 1 112 ASN 0.62 0.35 1 113 SER 0.93 -0.04 1 114 GLN 0.54 0.25 1 115 THR 0.81 -0.42 1 116 ASP 0.58 -0.06 1 117 LEU 0.82 0.04 1 118 GLU 0.38 -0.34 1 stop_ save_