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 bmr15246_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.82 _LACS_plot.Line_1_terminator_val_y_1 -2.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.29 _LACS_plot.Line_2_terminator_val_x_2 6.85 _LACS_plot.Line_2_terminator_val_y_2 5.56 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 45 HIS 3.45 5.40 0 99 HIS 6.31 6.64 0 32 THR 3.28 -0.33 0 23 MET -2.30 -0.70 1 24 PHE -0.48 0.56 1 25 ARG -6.09 -2.03 1 26 SER -4.44 -1.39 1 27 THR -7.82 -2.18 1 28 SER -1.88 -0.57 1 29 HIS -1.70 0.51 1 30 VAL -1.22 -1.06 1 31 ARG 2.52 1.46 1 33 GLU 0.73 0.87 1 34 SER -1.42 -1.46 1 35 ALA 1.33 3.79 1 36 ALA 4.98 3.25 1 37 ARG 3.58 2.70 1 38 TYR 3.08 0.57 1 39 VAL 6.85 5.89 1 40 ASN 3.85 4.42 1 41 ARG 3.75 3.73 1 42 LEU 3.88 3.14 1 44 LYS 3.98 2.80 1 46 TRP 1.74 1.47 1 48 HIS 1.92 3.36 1 49 LYS -2.32 0.37 1 50 PHE -3.48 -1.94 1 51 GLU -0.06 0.25 1 52 VAL -5.50 -2.23 1 53 GLU -4.50 -1.19 1 54 LEU -3.17 -0.09 1 55 THR 0.25 -0.31 1 57 GLU 0.09 0.49 1 58 ARG -2.84 -0.42 1 60 PHE -3.98 -0.47 1 61 ILE -3.43 -0.74 1 62 ASP -2.38 -1.99 1 63 PHE 1.82 0.71 1 65 ASP 0.93 1.21 1 66 SER -2.66 -0.41 1 67 ASN -3.25 -0.10 1 69 GLU -5.91 -2.20 1 70 LEU -5.24 -1.53 1 71 LEU -1.77 -1.29 1 72 ALA -0.41 -0.88 1 73 HIS -0.77 1.38 1 75 ASP -2.90 -2.17 1 76 HIS 1.03 1.94 1 77 VAL -4.99 -2.77 1 78 LEU -4.12 -2.02 1 79 MET -5.59 -1.18 1 80 ILE -2.05 0.24 1 81 LEU -5.92 -1.48 1 82 ASN -4.84 -0.55 1 83 SER -3.76 0.99 1 85 ASP -2.86 -1.08 1 86 GLU 3.53 3.34 1 87 ASP 3.78 3.00 1 88 SER 5.35 3.73 1 89 LEU 2.87 2.86 1 90 ALA 3.52 2.28 1 91 HIS 2.57 4.52 1 92 MET 3.31 0.18 1 93 GLN 4.89 3.15 1 94 ASN 3.62 2.94 1 95 VAL 4.63 4.32 1 96 VAL 6.68 5.75 1 97 ALA 2.85 3.62 1 98 ASP 2.81 3.05 1 100 LEU 5.73 3.65 1 101 GLN 2.49 2.66 1 102 ARG 3.47 2.79 1 103 MET 0.53 0.25 1 104 ALA -0.08 -1.50 1 106 SER -0.60 -0.26 1 107 GLU -3.84 -1.54 1 108 SER -0.03 -1.01 1 109 LEU -2.04 -1.08 1 110 GLU -1.12 -1.05 1 111 ILE -0.08 0.11 1 112 ALA -4.32 -1.90 1 113 TRP -2.92 -1.24 1 114 GLN -2.32 -0.83 1 116 ALA -1.93 -0.53 1 117 GLU -1.41 -0.45 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15246_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.82 _LACS_plot.Line_1_terminator_val_y_1 5.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.71 _LACS_plot.Line_2_terminator_val_x_2 6.85 _LACS_plot.Line_2_terminator_val_y_2 -1.29 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 45 HIS 3.45 1.95 0 99 HIS 6.31 0.33 0 32 THR 3.28 -3.61 0 23 MET -2.30 1.60 1 24 PHE -0.48 1.04 1 25 ARG -6.09 4.06 1 26 SER -4.44 3.05 1 27 THR -7.82 5.64 1 28 SER -1.88 1.31 1 29 HIS -1.70 2.21 1 30 VAL -1.22 0.16 1 31 ARG 2.52 -1.06 1 33 GLU 0.73 0.14 1 34 SER -1.42 -0.04 1 35 ALA 1.33 2.46 1 36 ALA 4.98 -1.73 1 37 ARG 3.58 -0.88 1 38 TYR 3.08 -2.51 1 39 VAL 6.85 -0.96 1 40 ASN 3.85 0.57 1 41 ARG 3.75 -0.02 1 42 LEU 3.88 -0.74 1 44 LYS 3.98 -1.18 1 46 TRP 1.74 -0.27 1 48 HIS 1.92 1.44 1 49 LYS -2.32 2.69 1 50 PHE -3.48 1.54 1 51 GLU -0.06 0.31 1 52 VAL -5.50 3.27 1 53 GLU -4.50 3.31 1 54 LEU -3.17 3.08 1 55 THR 0.25 -0.56 1 57 GLU 0.09 0.40 1 58 ARG -2.84 2.42 1 60 PHE -3.98 3.51 1 61 ILE -3.43 2.69 1 62 ASP -2.38 0.39 1 63 PHE 1.82 -1.11 1 65 ASP 0.93 0.28 1 66 SER -2.66 2.25 1 67 ASN -3.25 3.15 1 69 GLU -5.91 3.71 1 70 LEU -5.24 3.71 1 71 LEU -1.77 0.48 1 72 ALA -0.41 -0.47 1 73 HIS -0.77 2.15 1 75 ASP -2.90 0.73 1 76 HIS 1.03 0.91 1 77 VAL -4.99 2.22 1 78 LEU -4.12 2.10 1 79 MET -5.59 4.41 1 80 ILE -2.05 2.29 1 81 LEU -5.92 4.44 1 82 ASN -4.84 4.29 1 83 SER -3.76 4.75 1 85 ASP -2.86 1.78 1 86 GLU 3.53 -0.19 1 87 ASP 3.78 -0.78 1 88 SER 5.35 -1.62 1 89 LEU 2.87 -0.01 1 90 ALA 3.52 -1.24 1 91 HIS 2.57 1.95 1 92 MET 3.31 -3.13 1 93 GLN 4.89 -1.74 1 94 ASN 3.62 -0.68 1 95 VAL 4.63 -0.31 1 96 VAL 6.68 -0.93 1 97 ALA 2.85 0.77 1 98 ASP 2.81 0.24 1 100 LEU 5.73 -2.08 1 101 GLN 2.49 0.17 1 102 ARG 3.47 -0.68 1 103 MET 0.53 -0.28 1 104 ALA -0.08 -1.42 1 106 SER -0.60 0.34 1 107 GLU -3.84 2.30 1 108 SER -0.03 -0.98 1 109 LEU -2.04 0.96 1 110 GLU -1.12 0.07 1 111 ILE -0.08 0.19 1 112 ALA -4.32 2.42 1 113 TRP -2.92 1.68 1 114 GLN -2.32 1.49 1 116 ALA -1.93 1.40 1 117 GLU -1.41 0.96 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15246_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.82 _LACS_plot.Line_1_terminator_val_y_1 1.18 _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 0.36 _LACS_plot.Line_2_terminator_val_x_2 6.85 _LACS_plot.Line_2_terminator_val_y_2 -0.73 _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 27 THR -7.82 1.82 0 93 GLN 4.89 -1.47 0 23 MET -2.30 0.08 1 24 PHE -0.48 -0.08 1 25 ARG -6.09 1.59 1 26 SER -4.44 0.84 1 28 SER -1.88 0.17 1 29 HIS -1.70 0.32 1 30 VAL -1.22 0.31 1 31 ARG 2.52 0.18 1 32 THR 3.28 0.28 1 33 GLU 0.73 0.38 1 34 SER -1.42 0.32 1 35 ALA 1.33 -0.78 1 36 ALA 4.98 -0.63 1 37 ARG 3.58 -0.24 1 38 TYR 3.08 -0.12 1 39 VAL 6.85 -0.63 1 40 ASN 3.85 -0.46 1 41 ARG 3.75 -0.33 1 42 LEU 3.88 -0.44 1 44 LYS 3.98 -0.23 1 45 HIS 3.45 -0.32 1 46 TRP 1.74 0.24 1 49 LYS -2.32 -0.08 1 50 PHE -3.48 0.40 1 51 GLU -0.06 0.10 1 52 VAL -5.50 1.26 1 53 GLU -4.50 0.37 1 54 LEU -3.17 1.04 1 55 THR 0.25 0.28 1 57 GLU 0.09 0.00 1 58 ARG -2.84 1.08 1 60 PHE -3.98 0.85 1 61 ILE -3.43 0.06 1 62 ASP -2.38 -0.18 1 63 PHE 1.82 -0.61 1 65 ASP 0.93 0.03 1 66 SER -2.66 0.82 1 67 ASN -3.25 0.39 1 69 GLU -5.91 0.93 1 70 LEU -5.24 0.97 1 71 LEU -1.77 0.66 1 72 ALA -0.41 -0.01 1 73 HIS -0.77 -0.08 1 75 ASP -2.90 0.32 1 76 HIS 1.03 0.69 1 77 VAL -4.99 0.72 1 78 LEU -4.12 1.13 1 79 MET -5.59 1.20 1 80 ILE -2.05 0.79 1 81 LEU -5.92 0.93 1 82 ASN -4.84 1.11 1 83 SER -3.76 0.51 1 85 ASP -2.86 -0.01 1 86 GLU 3.53 -1.03 1 87 ASP 3.78 -0.23 1 88 SER 5.35 -0.30 1 89 LEU 2.87 -0.32 1 90 ALA 3.52 -0.54 1 91 HIS 2.57 -0.35 1 92 MET 3.31 -0.39 1 94 ASN 3.62 -0.14 1 95 VAL 4.63 -0.14 1 96 VAL 6.68 -0.13 1 97 ALA 2.85 -0.21 1 98 ASP 2.81 -0.28 1 99 HIS 6.31 -0.88 1 100 LEU 5.73 -0.48 1 101 GLN 2.49 -0.37 1 102 ARG 3.47 -0.35 1 103 MET 0.53 -0.13 1 104 ALA -0.08 0.07 1 106 SER -0.60 0.14 1 107 GLU -3.84 0.29 1 108 SER -0.03 0.08 1 109 LEU -2.04 0.27 1 110 GLU -1.12 0.19 1 111 ILE -0.08 -0.26 1 112 ALA -4.32 0.41 1 113 TRP -2.92 0.47 1 114 GLN -2.32 0.43 1 116 ALA -1.93 0.30 1 117 GLU -1.41 0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15246_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.82 _LACS_plot.Line_1_terminator_val_y_1 -3.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.98 _LACS_plot.Line_2_terminator_val_x_2 6.85 _LACS_plot.Line_2_terminator_val_y_2 3.13 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 32 THR 3.28 -2.14 0 27 THR -7.82 -0.96 0 23 MET -2.30 -0.98 1 24 PHE -0.48 -2.16 1 25 ARG -6.09 -0.43 1 26 SER -4.44 -1.37 1 28 SER -1.88 -1.20 1 29 HIS -1.70 1.23 1 30 VAL -1.22 -0.68 1 31 ARG 2.52 0.22 1 33 GLU 0.73 1.21 1 34 SER -1.42 -1.24 1 35 ALA 1.33 0.76 1 36 ALA 4.98 2.10 1 37 ARG 3.58 2.42 1 38 TYR 3.08 2.21 1 39 VAL 6.85 1.15 1 40 ASN 3.85 1.99 1 41 ARG 3.75 3.75 1 42 LEU 3.88 1.09 1 44 LYS 3.98 2.42 1 45 HIS 3.45 3.77 1 46 TRP 1.74 1.80 1 48 HIS 1.92 1.93 1 49 LYS -2.32 -1.72 1 50 PHE -3.48 -1.61 1 51 GLU -0.06 -1.03 1 52 VAL -5.50 -0.45 1 53 GLU -4.50 -2.23 1 54 LEU -3.17 -2.50 1 57 GLU 0.09 -0.88 1 58 ARG -2.84 -2.69 1 60 PHE -3.98 -2.62 1 61 ILE -3.43 -3.45 1 62 ASP -2.38 -0.06 1 63 PHE 1.82 -0.16 1 65 ASP 0.93 -0.13 1 66 SER -2.66 -2.41 1 67 ASN -3.25 -2.90 1 69 GLU -5.91 -2.41 1 70 LEU -5.24 -2.87 1 71 LEU -1.77 -2.29 1 72 ALA -0.41 -3.00 1 75 ASP -2.90 1.08 1 76 HIS 1.03 -1.63 1 77 VAL -4.99 -2.88 1 78 LEU -4.12 -2.46 1 79 MET -5.59 -1.14 1 80 ILE -2.05 -1.24 1 81 LEU -5.92 -3.32 1 82 ASN -4.84 -0.36 1 85 ASP -2.86 -1.76 1 86 GLU 3.53 1.84 1 87 ASP 3.78 3.10 1 88 SER 5.35 1.51 1 89 LEU 2.87 0.19 1 90 ALA 3.52 2.61 1 91 HIS 2.57 3.77 1 92 MET 3.31 2.09 1 93 GLN 4.89 2.42 1 94 ASN 3.62 2.18 1 95 VAL 4.63 3.75 1 96 VAL 6.68 1.19 1 97 ALA 2.85 1.52 1 98 ASP 2.81 2.80 1 99 HIS 6.31 3.34 1 100 LEU 5.73 0.12 1 101 GLN 2.49 2.99 1 102 ARG 3.47 2.24 1 103 MET 0.53 0.00 1 106 SER -0.60 -1.12 1 108 SER -0.03 -0.38 1 109 LEU -2.04 -0.88 1 110 GLU -1.12 -1.26 1 111 ILE -0.08 -3.15 1 112 ALA -4.32 -0.76 1 113 TRP -2.92 0.62 1 116 ALA -1.93 -0.57 1 stop_ save_