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 bmr18990_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 -3.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.56 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 4.87 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 111 MET 2.02 -2.81 0 10 VAL -3.51 -1.54 1 11 LEU -2.07 -1.76 1 14 GLN -0.06 -0.91 1 19 MET 0.33 0.52 1 21 LEU -2.56 -0.91 1 22 LEU -0.57 -0.76 1 23 VAL -2.96 -1.74 1 24 GLU -0.23 0.35 1 26 ASP 1.28 0.30 1 28 ARG 0.30 1.67 1 29 LYS 0.31 0.35 1 30 VAL -1.52 -1.42 1 31 THR -1.59 -0.92 1 33 GLN 2.34 2.60 1 34 ASN -0.07 -0.05 1 38 TYR -0.03 1.28 1 39 VAL -1.11 -1.40 1 40 PHE -4.98 -2.49 1 42 ARG 2.69 2.69 1 43 ASN 2.10 2.68 1 45 LEU 5.90 1.91 1 46 GLN -2.59 -1.68 1 48 TYR 5.84 5.09 1 49 HIS -6.47 -3.57 1 50 ILE -0.45 -0.22 1 52 GLU -0.74 -0.17 1 54 LEU 0.00 -0.26 1 56 GLU 0.07 0.43 1 58 THR 0.40 0.43 1 60 ALA 0.19 0.23 1 61 SER 0.02 -0.01 1 62 ALA 0.12 0.16 1 63 THR 0.30 0.19 1 67 GLU -0.23 0.20 1 68 TYR -0.26 -0.23 1 69 THR -0.18 -0.07 1 70 VAL -0.43 -0.35 1 71 ASP -1.26 -0.62 1 73 ASN 0.89 0.72 1 74 ARG 0.66 0.40 1 75 ALA 0.50 0.46 1 76 ALA 0.35 0.29 1 77 GLU -0.43 -0.02 1 78 ALA -0.05 0.01 1 79 ARG -0.02 -0.07 1 80 TRP 0.06 -0.10 1 81 ASP -0.15 -0.30 1 82 GLU 0.31 0.57 1 83 ALA 0.53 0.52 1 84 SER 0.27 0.25 1 85 ASN 0.40 0.35 1 86 VAL 0.28 0.25 1 87 THR 0.33 0.26 1 88 ILE -0.20 -0.28 1 89 LYS -0.32 -0.26 1 90 VAL -0.13 0.10 1 91 SER -0.00 0.35 1 92 THR -3.49 -1.39 1 93 LYS -4.14 0.18 1 97 LYS 1.47 1.49 1 99 ARG 5.76 0.90 1 100 THR 4.26 3.39 1 102 THR -0.99 0.77 1 103 GLU -3.51 -1.55 1 104 ARG 0.08 -0.14 1 105 ASP -1.55 -1.25 1 109 MET -1.63 -0.43 1 110 HIS -1.09 -1.19 1 112 VAL -1.01 -0.82 1 114 THR 0.24 -0.16 1 115 ARG 1.80 0.95 1 116 ALA 2.82 1.43 1 120 PHE 0.55 2.25 1 121 GLU -3.33 -1.98 1 122 TRP -5.87 -3.73 1 124 TRP 1.73 3.26 1 125 VAL 3.13 3.40 1 127 GLN 5.27 2.35 1 128 THR -4.60 -2.62 1 129 GLU 0.36 0.42 1 130 TRP 0.82 0.72 1 132 ARG 3.56 2.09 1 133 ASP 3.52 2.60 1 135 MET 2.96 2.61 1 137 ALA -0.35 0.94 1 138 HIS 0.93 -0.47 1 139 TRP 0.91 0.86 1 140 PHE -2.64 -1.23 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18990_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.44 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 -1.03 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 111 MET 2.02 -4.83 0 10 VAL -3.51 1.97 1 11 LEU -2.07 0.31 1 14 GLN -0.06 -0.85 1 19 MET 0.33 0.19 1 21 LEU -2.56 1.65 1 22 LEU -0.57 -0.19 1 23 VAL -2.96 1.22 1 24 GLU -0.23 0.58 1 26 ASP 1.28 -0.98 1 28 ARG 0.30 1.37 1 29 LYS 0.31 0.04 1 30 VAL -1.52 0.10 1 31 THR -1.59 0.67 1 33 GLN 2.34 0.26 1 34 ASN -0.07 0.02 1 38 TYR -0.03 1.31 1 39 VAL -1.11 -0.29 1 40 PHE -4.98 2.49 1 42 ARG 2.69 0.00 1 43 ASN 2.10 0.58 1 45 LEU 5.90 -3.99 1 46 GLN -2.59 0.91 1 48 TYR 5.84 -0.75 1 49 HIS -6.47 2.90 1 50 ILE -0.45 0.23 1 52 GLU -0.74 0.57 1 54 LEU 0.00 -0.26 1 56 GLU 0.07 0.36 1 58 THR 0.40 0.03 1 60 ALA 0.19 0.04 1 61 SER 0.02 -0.03 1 62 ALA 0.12 0.04 1 63 THR 0.30 -0.11 1 67 GLU -0.23 0.43 1 68 TYR -0.26 0.03 1 69 THR -0.18 0.11 1 70 VAL -0.43 0.08 1 71 ASP -1.26 0.64 1 73 ASN 0.89 -0.17 1 74 ARG 0.66 -0.26 1 75 ALA 0.50 -0.04 1 76 ALA 0.35 -0.06 1 77 GLU -0.43 0.41 1 78 ALA -0.05 0.06 1 79 ARG -0.02 -0.05 1 80 TRP 0.06 -0.16 1 81 ASP -0.15 -0.15 1 82 GLU 0.31 0.26 1 83 ALA 0.53 -0.01 1 84 SER 0.27 -0.02 1 85 ASN 0.40 -0.05 1 86 VAL 0.28 -0.03 1 87 THR 0.33 -0.07 1 88 ILE -0.20 -0.08 1 89 LYS -0.32 0.06 1 90 VAL -0.13 0.23 1 91 SER -0.00 0.35 1 92 THR -3.49 2.10 1 93 LYS -4.14 4.32 1 97 LYS 1.47 0.02 1 99 ARG 5.76 -4.86 1 100 THR 4.26 -0.87 1 102 THR -0.99 1.76 1 103 GLU -3.51 1.96 1 104 ARG 0.08 -0.22 1 105 ASP -1.55 0.30 1 109 MET -1.63 1.20 1 110 HIS -1.09 -0.10 1 112 VAL -1.01 0.19 1 114 THR 0.24 -0.40 1 115 ARG 1.80 -0.85 1 116 ALA 2.82 -1.39 1 120 PHE 0.55 1.70 1 121 GLU -3.33 1.35 1 122 TRP -5.87 2.14 1 124 TRP 1.73 1.53 1 125 VAL 3.13 0.27 1 127 GLN 5.27 -2.92 1 128 THR -4.60 1.98 1 129 GLU 0.36 0.06 1 130 TRP 0.82 -0.10 1 132 ARG 3.56 -1.47 1 133 ASP 3.52 -0.92 1 135 MET 2.96 -0.35 1 137 ALA -0.35 1.29 1 138 HIS 0.93 -1.40 1 139 TRP 0.91 -0.05 1 140 PHE -2.64 1.41 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18990_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.47 _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 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _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 121 GLU -3.33 1.37 0 110 HIS -1.09 -1.05 0 10 VAL -3.51 0.30 1 11 LEU -2.07 0.42 1 14 GLN -0.06 -0.06 1 19 MET 0.33 -0.14 1 21 LEU -2.56 0.33 1 22 LEU -0.57 0.34 1 23 VAL -2.96 0.28 1 24 GLU -0.23 -0.02 1 26 ASP 1.28 -0.14 1 28 ARG 0.30 -0.08 1 29 LYS 0.31 -0.15 1 30 VAL -1.52 0.01 1 31 THR -1.59 0.68 1 33 GLN 2.34 -0.34 1 34 ASN -0.07 0.15 1 38 TYR -0.03 -0.07 1 39 VAL -1.11 0.70 1 40 PHE -4.98 0.65 1 42 ARG 2.69 -0.32 1 43 ASN 2.10 -0.03 1 45 LEU 5.90 -0.03 1 46 GLN -2.59 0.44 1 48 TYR 5.84 -0.89 1 49 HIS -6.47 -0.02 1 50 ILE -0.45 -0.05 1 52 GLU -0.74 -0.06 1 54 LEU 0.00 -0.18 1 56 GLU 0.07 -0.13 1 58 THR 0.40 0.05 1 60 ALA 0.19 -0.07 1 61 SER 0.02 -0.02 1 62 ALA 0.12 0.08 1 68 TYR -0.26 0.10 1 69 THR -0.18 -0.04 1 70 VAL -0.43 -0.07 1 71 ASP -1.26 -0.08 1 73 ASN 0.89 -0.06 1 74 ARG 0.66 -0.10 1 76 ALA 0.35 -0.07 1 77 GLU -0.43 -0.16 1 78 ALA -0.05 -0.07 1 79 ARG -0.02 -0.05 1 80 TRP 0.06 0.00 1 81 ASP -0.15 -0.14 1 82 GLU 0.31 -0.26 1 83 ALA 0.53 -0.04 1 84 SER 0.27 -0.08 1 85 ASN 0.40 -0.03 1 86 VAL 0.28 0.07 1 87 THR 0.33 0.00 1 88 ILE -0.20 0.02 1 89 LYS -0.32 0.11 1 90 VAL -0.13 0.16 1 91 SER -0.00 0.02 1 92 THR -3.49 1.10 1 93 LYS -4.14 0.10 1 97 LYS 1.47 -0.35 1 99 ARG 5.76 -0.37 1 100 THR 4.26 -0.24 1 102 THR -0.99 0.32 1 103 GLU -3.51 0.59 1 104 ARG 0.08 -0.63 1 105 ASP -1.55 0.00 1 109 MET -1.63 0.07 1 111 MET 2.02 -0.16 1 112 VAL -1.01 0.67 1 114 THR 0.24 0.04 1 115 ARG 1.80 -0.12 1 116 ALA 2.82 -0.17 1 120 PHE 0.55 -0.04 1 122 TRP -5.87 0.85 1 124 TRP 1.73 -0.23 1 125 VAL 3.13 -0.50 1 127 GLN 5.27 -0.30 1 128 THR -4.60 0.33 1 129 GLU 0.36 -0.06 1 130 TRP 0.82 -0.37 1 132 ARG 3.56 -0.57 1 133 ASP 3.52 -0.43 1 135 MET 2.96 -0.46 1 137 ALA -0.35 -0.03 1 138 HIS 0.93 0.17 1 139 TRP 0.91 -0.37 1 140 PHE -2.64 0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18990_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 -2.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.04 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 1.55 _LACS_plot.Y_axis_chem_shift_offset 0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 TYR 5.84 -3.04 0 10 VAL -3.51 -2.89 1 11 LEU -2.07 -1.38 1 14 GLN -0.06 -0.48 1 19 MET 0.33 -0.66 1 21 LEU -2.56 -1.73 1 22 LEU -0.57 -1.44 1 23 VAL -2.96 -0.71 1 24 GLU -0.23 0.53 1 26 ASP 1.28 -1.18 1 28 ARG 0.30 -1.39 1 29 LYS 0.31 -1.73 1 30 VAL -1.52 -2.90 1 31 THR -1.59 -0.36 1 33 GLN 2.34 0.83 1 34 ASN -0.07 -1.15 1 38 TYR -0.03 -2.24 1 39 VAL -1.11 -0.42 1 40 PHE -4.98 -2.56 1 42 ARG 2.69 -1.29 1 43 ASN 2.10 0.46 1 45 LEU 5.90 -1.88 1 46 GLN -2.59 -0.70 1 49 HIS -6.47 -0.86 1 50 ILE -0.45 1.81 1 52 GLU -0.74 0.30 1 54 LEU 0.00 -0.44 1 56 GLU 0.07 0.60 1 58 THR 0.40 0.63 1 60 ALA 0.19 0.14 1 61 SER 0.02 -0.17 1 62 ALA 0.12 0.18 1 63 THR 0.30 -0.28 1 67 GLU -0.23 -0.65 1 68 TYR -0.26 -0.29 1 69 THR -0.18 -0.85 1 70 VAL -0.43 -1.02 1 73 ASN 0.89 0.33 1 74 ARG 0.66 -0.06 1 75 ALA 0.50 0.03 1 76 ALA 0.35 0.22 1 77 GLU -0.43 -0.33 1 78 ALA -0.05 -0.31 1 79 ARG -0.02 0.00 1 80 TRP 0.06 -0.24 1 81 ASP -0.15 -0.12 1 82 GLU 0.31 0.12 1 83 ALA 0.53 0.29 1 84 SER 0.27 -0.26 1 85 ASN 0.40 -0.15 1 86 VAL 0.28 -0.09 1 87 THR 0.33 -0.34 1 88 ILE -0.20 -0.63 1 89 LYS -0.32 -0.36 1 91 SER -0.00 -0.77 1 92 THR -3.49 -0.72 1 93 LYS -4.14 -1.21 1 97 LYS 1.47 0.29 1 99 ARG 5.76 -1.05 1 100 THR 4.26 0.50 1 102 THR -0.99 -2.57 1 103 GLU -3.51 -1.31 1 104 ARG 0.08 -1.01 1 105 ASP -1.55 -0.28 1 109 MET -1.63 -1.64 1 110 HIS -1.09 -1.66 1 111 MET 2.02 -0.82 1 112 VAL -1.01 -0.82 1 114 THR 0.24 0.56 1 115 ARG 1.80 1.48 1 116 ALA 2.82 0.96 1 120 PHE 0.55 -1.35 1 121 GLU -3.33 -0.53 1 122 TRP -5.87 -3.26 1 124 TRP 1.73 -0.05 1 125 VAL 3.13 2.64 1 128 THR -4.60 -1.35 1 129 GLU 0.36 -1.06 1 130 TRP 0.82 -0.69 1 132 ARG 3.56 1.75 1 133 ASP 3.52 1.90 1 137 ALA -0.35 0.40 1 138 HIS 0.93 -0.78 1 139 TRP 0.91 -0.53 1 140 PHE -2.64 -0.67 1 stop_ save_