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 bmr15599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.41 _LACS_plot.Line_1_terminator_val_y_1 -3.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.17 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 5.51 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 87 LYS -6.51 -0.63 0 100 ALA 1.95 -1.00 0 112 LYS -1.20 -3.10 0 11 ASP 3.52 3.73 1 12 VAL -4.13 -1.02 1 13 ASP 0.46 1.48 1 14 ILE -7.90 -3.70 1 19 VAL -2.13 -1.46 1 20 PHE -3.90 -3.40 1 21 LYS 0.28 1.20 1 22 TYR -9.41 -3.22 1 23 VAL -5.85 -2.97 1 24 LEU -4.91 -2.16 1 25 ILE -5.81 -1.43 1 26 ARG -1.88 -0.68 1 27 VAL -3.47 -2.13 1 28 HIS -4.53 -0.33 1 29 SER -0.41 0.07 1 30 ALA -0.40 0.20 1 32 ARG -2.08 -0.88 1 33 SER -0.19 0.91 1 35 ALA -0.78 0.00 1 37 ALA -1.40 -0.52 1 38 ALA -0.94 0.02 1 39 GLU -2.70 -0.41 1 40 SER -3.93 -1.10 1 41 LYS -3.21 -0.57 1 42 GLU -1.08 -0.65 1 43 ILE -4.35 -2.20 1 44 VAL -2.67 -0.60 1 45 ARG -7.41 -3.41 1 47 TYR -8.11 -3.20 1 49 TRP -0.56 -1.16 1 50 ALA -0.50 -0.20 1 51 GLU 0.80 1.60 1 52 TYR -3.51 -1.83 1 53 HIS 2.70 2.70 1 54 ALA 3.33 3.63 1 55 ASP 3.89 4.10 1 56 ILE 5.50 5.30 1 57 TYR 4.90 4.00 1 58 ASP 3.08 3.08 1 59 LYS 4.40 3.70 1 60 VAL 5.33 3.70 1 61 SER 4.25 3.32 1 63 ASP 1.91 1.53 1 64 MET 4.47 3.38 1 65 GLN 3.26 2.59 1 66 LYS -1.21 -0.83 1 67 GLN -3.50 -0.80 1 70 ASP -5.65 -1.54 1 72 GLU 0.48 -0.82 1 74 LEU -5.30 -1.60 1 78 ARG -4.69 -1.68 1 79 ILE -3.20 -2.90 1 80 SER -3.29 -0.27 1 81 HIS 4.40 3.00 1 82 GLN 1.46 0.86 1 83 SER -5.33 -1.03 1 89 HIS -0.91 -0.70 1 90 VAL -1.45 -1.85 1 91 TYR -3.27 -1.37 1 93 TYR -4.23 -3.20 1 94 SER 3.48 2.98 1 95 MET 2.49 2.09 1 96 ALA -3.23 -1.56 1 97 TYR -1.75 -1.65 1 101 GLN 0.50 3.07 1 102 HIS 3.30 2.40 1 103 ALA 4.46 2.79 1 104 ILE 4.36 2.16 1 105 SER 6.98 5.47 1 106 THR 3.78 3.27 1 107 GLU 3.07 1.81 1 108 LYS 5.32 5.20 1 109 ILE 3.40 3.00 1 110 LYS 2.76 1.78 1 111 ALA 0.33 0.24 1 113 TYR -1.31 -0.55 1 117 GLU -0.90 -1.30 1 118 VAL -5.13 -2.23 1 119 THR -5.94 -2.53 1 120 TRP -4.73 -0.73 1 121 ALA 0.06 0.06 1 122 ASN -1.74 -0.29 1 123 ASP 0.95 1.95 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.41 _LACS_plot.Line_1_terminator_val_y_1 5.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.83 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 -1.46 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 87 LYS -6.51 5.88 0 100 ALA 1.95 -2.95 0 112 LYS -1.20 -1.90 0 11 ASP 3.52 0.21 1 12 VAL -4.13 3.11 1 13 ASP 0.46 1.02 1 14 ILE -7.90 4.20 1 19 VAL -2.13 0.67 1 20 PHE -3.90 0.50 1 21 LYS 0.28 0.92 1 22 TYR -9.41 6.19 1 23 VAL -5.85 2.88 1 24 LEU -4.91 2.75 1 25 ILE -5.81 4.38 1 26 ARG -1.88 1.20 1 27 VAL -3.47 1.34 1 28 HIS -4.53 4.20 1 29 SER -0.41 0.48 1 30 ALA -0.40 0.60 1 32 ARG -2.08 1.20 1 33 SER -0.19 1.10 1 35 ALA -0.78 0.78 1 37 ALA -1.40 0.88 1 38 ALA -0.94 0.96 1 39 GLU -2.70 2.29 1 40 SER -3.93 2.83 1 41 LYS -3.21 2.64 1 42 GLU -1.08 0.43 1 43 ILE -4.35 2.15 1 44 VAL -2.67 2.07 1 45 ARG -7.41 4.00 1 47 TYR -8.11 4.91 1 49 TRP -0.56 -0.60 1 50 ALA -0.50 0.30 1 51 GLU 0.80 0.80 1 52 TYR -3.51 1.68 1 53 HIS 2.70 0.00 1 54 ALA 3.33 0.30 1 55 ASP 3.89 0.21 1 56 ILE 5.50 -0.20 1 57 TYR 4.90 -0.90 1 58 ASP 3.08 0.00 1 59 LYS 4.40 -0.70 1 60 VAL 5.33 -1.63 1 61 SER 4.25 -0.93 1 63 ASP 1.91 -0.38 1 64 MET 4.47 -1.09 1 65 GLN 3.26 -0.67 1 66 LYS -1.21 0.38 1 67 GLN -3.50 2.70 1 70 ASP -5.65 4.11 1 72 GLU 0.48 -1.30 1 74 LEU -5.30 3.70 1 78 ARG -4.69 3.01 1 79 ILE -3.20 0.30 1 80 SER -3.29 3.02 1 81 HIS 4.40 -1.40 1 82 GLN 1.46 -0.60 1 83 SER -5.33 4.30 1 89 HIS -0.91 0.21 1 90 VAL -1.45 -0.40 1 91 TYR -3.27 1.90 1 93 TYR -4.23 1.03 1 94 SER 3.48 -0.50 1 95 MET 2.49 -0.40 1 96 ALA -3.23 1.67 1 97 TYR -1.75 0.10 1 101 GLN 0.50 2.57 1 102 HIS 3.30 -0.90 1 103 ALA 4.46 -1.67 1 104 ILE 4.36 -2.20 1 105 SER 6.98 -1.51 1 106 THR 3.78 -0.51 1 107 GLU 3.07 -1.26 1 108 LYS 5.32 -0.12 1 109 ILE 3.40 -0.40 1 110 LYS 2.76 -0.98 1 111 ALA 0.33 -0.09 1 113 TYR -1.31 0.76 1 117 GLU -0.90 -0.40 1 118 VAL -5.13 2.90 1 119 THR -5.94 3.41 1 120 TRP -4.73 4.00 1 121 ALA 0.06 0.00 1 122 ASN -1.74 1.45 1 123 ASP 0.95 1.00 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.41 _LACS_plot.Line_1_terminator_val_y_1 1.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 ILE -3.29 -0.59 0 117 GLU -0.90 1.40 0 11 ASP 3.52 -0.16 1 12 VAL -4.13 0.29 1 13 ASP 0.46 0.25 1 14 ILE -7.90 1.24 1 19 VAL -2.13 1.12 1 20 PHE -3.90 0.47 1 21 LYS 0.28 0.21 1 22 TYR -9.41 1.08 1 23 VAL -5.85 0.41 1 24 LEU -4.91 0.86 1 25 ILE -5.81 0.58 1 26 ARG -1.88 0.71 1 27 VAL -3.47 0.73 1 28 HIS -4.53 0.33 1 29 SER -0.41 0.08 1 30 ALA -0.40 0.13 1 32 ARG -2.08 0.21 1 33 SER -0.19 -0.14 1 35 ALA -0.78 0.09 1 37 ALA -1.40 0.04 1 38 ALA -0.94 0.02 1 39 GLU -2.70 0.18 1 40 SER -3.93 0.92 1 41 LYS -3.21 0.33 1 42 GLU -1.08 1.09 1 43 ILE -4.35 1.18 1 44 VAL -2.67 0.59 1 45 ARG -7.41 1.01 1 47 TYR -8.11 1.07 1 49 TRP -0.56 -0.24 1 50 ALA -0.50 0.10 1 51 GLU 0.80 -0.30 1 52 TYR -3.51 0.33 1 53 HIS 2.70 0.55 1 54 ALA 3.33 0.02 1 55 ASP 3.89 -0.28 1 56 ILE 5.50 -0.69 1 57 TYR 4.90 -0.47 1 58 ASP 3.08 -0.16 1 59 LYS 4.40 -0.26 1 60 VAL 5.33 -0.28 1 61 SER 4.25 -0.20 1 63 ASP 1.91 -0.12 1 64 MET 4.47 0.00 1 65 GLN 3.26 -0.15 1 66 LYS -1.21 0.24 1 67 GLN -3.50 0.30 1 70 ASP -5.65 0.40 1 72 GLU 0.48 0.20 1 74 LEU -5.30 0.60 1 78 ARG -4.69 0.33 1 81 HIS 4.40 -0.25 1 82 GLN 1.46 -0.19 1 83 SER -5.33 1.06 1 87 LYS -6.51 1.01 1 89 HIS -0.91 0.22 1 90 VAL -1.45 0.84 1 91 TYR -3.27 0.67 1 93 TYR -4.23 0.17 1 94 SER 3.48 -0.09 1 95 MET 2.49 -0.35 1 96 ALA -3.23 0.18 1 97 TYR -1.75 -0.06 1 100 ALA 1.95 -0.32 1 101 GLN 0.50 -0.69 1 102 HIS 3.30 -1.24 1 103 ALA 4.46 -0.45 1 104 ILE 4.36 -0.69 1 105 SER 6.98 -0.83 1 106 THR 3.78 -0.37 1 107 GLU 3.07 -0.18 1 108 LYS 5.32 -0.65 1 109 ILE 3.40 -0.40 1 110 LYS 2.76 -0.19 1 111 ALA 0.33 -0.21 1 112 LYS -1.31 0.33 1 118 VAL -5.13 0.55 1 119 THR -5.94 1.15 1 120 TRP -4.73 0.02 1 121 ALA 0.06 0.71 1 122 ASN -1.74 0.20 1 123 ASP 0.95 -0.20 1 stop_ save_