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 bmr5031_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.99 _LACS_plot.Line_1_terminator_val_y_1 -2.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.50 _LACS_plot.Line_2_terminator_val_x_2 8.19 _LACS_plot.Line_2_terminator_val_y_2 6.30 _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 79 ALA -6.38 -1.29 0 106 LEU -6.99 -1.50 0 10 TRP -4.34 -3.72 1 11 VAL -3.84 -2.30 1 12 GLU -0.20 -0.59 1 13 SER -3.24 -2.45 1 14 THR 5.61 4.38 1 15 ALA 3.62 2.93 1 16 ILE 3.71 3.02 1 17 LEU 5.68 4.03 1 18 GLN 4.77 3.51 1 19 ASP 3.54 3.52 1 21 GLN 4.23 3.48 1 22 ARG 3.49 3.14 1 23 ALA 0.08 1.63 1 24 LEU -0.39 -2.54 1 25 SER 1.04 1.11 1 26 ALA 0.38 0.62 1 27 ASP 2.77 1.95 1 28 ARG 0.70 0.51 1 29 TYR -1.87 -0.98 1 30 GLN -2.08 -1.16 1 31 LEU -1.60 -0.41 1 32 GLN -1.11 -1.31 1 33 VAL 0.23 0.17 1 35 GLU -0.15 0.21 1 36 SER -4.68 -1.84 1 38 GLU 4.13 3.38 1 39 MET 3.30 3.36 1 40 LEU 4.94 2.72 1 41 LEU 4.30 3.06 1 42 GLU 3.05 2.91 1 43 TYR 4.46 4.59 1 44 ALA 4.01 2.82 1 45 GLN 3.16 3.06 1 46 THR -0.16 0.49 1 47 HIS 2.17 0.21 1 48 ARG 4.75 3.68 1 49 ASP 1.42 0.50 1 50 GLN -1.65 -0.57 1 51 ILE -1.47 0.71 1 52 ASP 1.31 2.19 1 54 LEU -5.53 -1.76 1 55 ILE -0.71 -0.35 1 56 LEU -5.66 -1.96 1 57 VAL 1.43 0.45 1 58 ALA 2.74 1.18 1 59 ALA -0.03 -0.59 1 60 ASN 1.77 0.16 1 62 SER 2.06 0.66 1 63 PHE 4.62 5.66 1 64 ARG 5.04 3.71 1 65 ALA 3.26 2.48 1 66 VAL 5.80 4.37 1 67 VAL 6.26 4.61 1 68 GLN 5.31 4.30 1 69 GLN 4.77 3.52 1 70 LEU 5.01 3.80 1 72 PHE 3.58 2.75 1 73 GLU -0.06 -0.38 1 75 VAL 2.83 -0.01 1 76 VAL 0.75 0.97 1 77 VAL -2.87 -2.15 1 80 ILE -4.78 -1.80 1 81 VAL -1.28 -1.22 1 82 VAL -1.47 -1.27 1 84 ASP -1.79 -0.46 1 85 ARG -0.31 -0.12 1 86 ASP 0.18 0.52 1 87 SER 0.22 0.36 1 88 GLU -0.37 -0.11 1 89 ASP -1.20 -0.25 1 91 ASP 0.34 0.48 1 92 GLU -0.62 0.37 1 94 ALA 0.17 -0.06 1 95 LYS -0.24 0.06 1 96 GLU -1.03 -0.06 1 97 GLN -0.46 -0.19 1 98 LEU -1.21 0.96 1 99 TYR -2.04 -1.61 1 100 HIS -2.76 1.15 1 101 SER 2.43 2.00 1 102 ALA -4.39 -1.96 1 103 GLU 0.06 -0.78 1 104 LEU -4.01 -1.86 1 105 HIS -4.18 -1.63 1 108 ILE 3.06 2.61 1 109 HIS 1.00 1.18 1 110 GLN -1.26 -0.59 1 111 LEU 5.32 2.92 1 112 GLU 3.31 2.11 1 113 GLN 0.49 -0.19 1 114 LEU 8.20 7.21 1 116 TYR 2.53 1.94 1 117 GLN 3.13 1.66 1 118 VAL 6.14 4.75 1 119 ASP 4.69 3.73 1 120 ALA 3.75 2.57 1 121 ALA 4.47 3.11 1 122 LEU 4.87 4.05 1 123 ALA 3.43 2.70 1 124 GLU 1.72 1.89 1 125 PHE 3.12 4.06 1 126 LEU 2.30 2.15 1 127 ARG 2.75 3.25 1 128 LEU -1.02 -1.00 1 129 ALA 1.53 0.88 1 131 VAL 0.68 -0.30 1 132 GLU -3.82 -1.86 1 133 THR -0.85 -0.47 1 134 MET -0.86 -1.24 1 135 ALA -1.17 1.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5031_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.99 _LACS_plot.Line_1_terminator_val_y_1 4.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.50 _LACS_plot.Line_2_terminator_val_x_2 8.19 _LACS_plot.Line_2_terminator_val_y_2 -1.89 _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 79 ALA -6.38 5.09 0 106 LEU -6.99 5.49 0 10 TRP -4.34 0.62 1 11 VAL -3.84 1.54 1 12 GLU -0.20 -0.39 1 13 SER -3.24 0.79 1 14 THR 5.61 -1.23 1 15 ALA 3.62 -0.69 1 16 ILE 3.71 -0.69 1 17 LEU 5.68 -1.65 1 18 GLN 4.77 -1.26 1 19 ASP 3.54 -0.02 1 21 GLN 4.23 -0.75 1 22 ARG 3.49 -0.35 1 23 ALA 0.08 1.55 1 24 LEU -0.39 -2.15 1 25 SER 1.04 0.07 1 26 ALA 0.38 0.24 1 27 ASP 2.77 -0.82 1 28 ARG 0.70 -0.19 1 29 TYR -1.87 0.89 1 30 GLN -2.08 0.92 1 31 LEU -1.60 1.19 1 32 GLN -1.11 -0.20 1 33 VAL 0.23 -0.06 1 35 GLU -0.15 0.36 1 36 SER -4.68 2.84 1 38 GLU 4.13 -0.75 1 39 MET 3.30 0.06 1 40 LEU 4.94 -2.22 1 41 LEU 4.30 -1.24 1 42 GLU 3.05 -0.14 1 43 TYR 4.46 0.13 1 44 ALA 4.01 -1.19 1 45 GLN 3.16 -0.10 1 46 THR -0.16 0.65 1 47 HIS 2.17 -1.96 1 48 ARG 4.75 -1.07 1 49 ASP 1.42 -0.92 1 50 GLN -1.65 1.08 1 51 ILE -1.47 2.18 1 52 ASP 1.31 0.88 1 54 LEU -5.53 3.77 1 55 ILE -0.71 0.36 1 56 LEU -5.66 3.70 1 57 VAL 1.43 -0.98 1 58 ALA 2.74 -1.56 1 59 ALA -0.03 -0.56 1 60 ASN 1.77 -1.61 1 62 SER 2.06 -1.40 1 63 PHE 4.62 1.04 1 64 ARG 5.04 -1.33 1 65 ALA 3.26 -0.78 1 66 VAL 5.80 -1.43 1 67 VAL 6.26 -1.65 1 68 GLN 5.31 -1.01 1 69 GLN 4.77 -1.25 1 70 LEU 5.01 -1.21 1 72 PHE 3.58 -0.83 1 73 GLU -0.06 -0.32 1 75 VAL 2.83 -2.84 1 76 VAL 0.75 0.22 1 77 VAL -2.87 0.72 1 80 ILE -4.78 2.98 1 81 VAL -1.28 0.06 1 82 VAL -1.47 0.20 1 84 ASP -1.79 1.33 1 85 ARG -0.31 0.19 1 86 ASP 0.18 0.34 1 87 SER 0.22 0.14 1 88 GLU -0.37 0.26 1 89 ASP -1.20 0.95 1 91 ASP 0.34 0.14 1 92 GLU -0.62 0.99 1 94 ALA 0.17 -0.23 1 95 LYS -0.24 0.30 1 96 GLU -1.03 0.97 1 97 GLN -0.46 0.27 1 98 LEU -1.21 2.17 1 99 TYR -2.04 0.43 1 100 HIS -2.76 3.91 1 101 SER 2.43 -0.43 1 102 ALA -4.39 2.43 1 103 GLU 0.06 -0.84 1 104 LEU -4.01 2.15 1 105 HIS -4.18 2.55 1 108 ILE 3.06 -0.45 1 109 HIS 1.00 0.18 1 110 GLN -1.26 0.67 1 111 LEU 5.32 -2.40 1 112 GLU 3.31 -1.20 1 113 GLN 0.49 -0.68 1 114 LEU 8.20 -0.99 1 116 TYR 2.53 -0.59 1 117 GLN 3.13 -1.47 1 118 VAL 6.14 -1.39 1 119 ASP 4.69 -0.96 1 120 ALA 3.75 -1.18 1 121 ALA 4.47 -1.36 1 122 LEU 4.87 -0.82 1 123 ALA 3.43 -0.73 1 124 GLU 1.72 0.17 1 125 PHE 3.12 0.94 1 126 LEU 2.30 -0.15 1 127 ARG 2.75 0.50 1 128 LEU -1.02 0.02 1 129 ALA 1.53 -0.65 1 131 VAL 0.68 -0.98 1 132 GLU -3.82 1.96 1 133 THR -0.85 0.38 1 134 MET -0.86 -0.38 1 135 ALA -1.17 2.34 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5031_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.99 _LACS_plot.Line_1_terminator_val_y_1 0.80 _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 0.30 _LACS_plot.Line_2_terminator_val_x_2 8.19 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 ALA 2.74 -1.95 0 10 TRP -4.34 1.40 1 11 VAL -3.84 0.11 1 12 GLU -0.20 0.25 1 13 SER -3.24 0.38 1 14 THR 5.61 -0.45 1 15 ALA 3.62 -0.23 1 16 ILE 3.71 -0.37 1 17 LEU 5.68 -0.51 1 18 GLN 4.77 -0.18 1 19 ASP 3.54 -0.12 1 21 GLN 4.23 -0.72 1 22 ARG 3.49 -0.31 1 23 ALA 0.08 -0.04 1 24 LEU -0.39 -0.02 1 25 SER 1.04 -0.12 1 26 ALA 0.38 0.16 1 27 ASP 2.77 -0.24 1 28 ARG 0.70 -0.19 1 29 TYR -1.87 0.63 1 30 GLN -2.08 0.34 1 31 LEU -1.60 0.70 1 32 GLN -1.11 0.13 1 33 VAL 0.23 0.25 1 35 GLU -0.15 0.47 1 36 SER -4.68 0.86 1 38 GLU 4.13 -0.48 1 39 MET 3.30 -0.24 1 40 LEU 4.94 0.13 1 41 LEU 4.30 -0.58 1 42 GLU 3.05 -0.29 1 43 TYR 4.46 -0.52 1 44 ALA 4.01 -0.55 1 45 GLN 3.16 -0.37 1 46 THR -0.16 -0.06 1 47 HIS 2.17 0.00 1 48 ARG 4.75 -0.38 1 49 ASP 1.42 0.04 1 50 GLN -1.65 0.27 1 51 ILE -1.47 -0.20 1 52 ASP 1.31 0.16 1 54 LEU -5.53 1.15 1 55 ILE -0.71 0.86 1 56 LEU -5.66 0.69 1 57 VAL 1.43 0.13 1 59 ALA -0.03 -0.22 1 60 ASN 1.77 -0.66 1 62 SER 2.06 -0.03 1 63 PHE 4.62 -0.40 1 64 ARG 5.04 -0.50 1 65 ALA 3.26 -0.15 1 66 VAL 5.80 -0.58 1 67 VAL 6.26 -0.75 1 68 GLN 5.31 -0.42 1 69 GLN 4.77 -0.24 1 70 LEU 5.01 -0.49 1 72 PHE 3.58 -0.23 1 73 GLU -0.06 -0.03 1 75 VAL 2.83 -0.04 1 76 VAL 0.75 0.04 1 77 VAL -2.87 -0.05 1 79 ALA -6.38 1.60 1 80 ILE -4.78 0.55 1 81 VAL -1.28 0.67 1 82 VAL -1.47 0.86 1 84 ASP -1.79 0.06 1 85 ARG -0.31 -0.10 1 86 ASP 0.18 -0.11 1 87 SER 0.22 -0.10 1 88 GLU -0.37 -0.04 1 89 ASP -1.20 -0.03 1 91 ASP 0.34 0.00 1 92 GLU -0.62 -0.06 1 94 ALA 0.17 -0.06 1 95 LYS -0.24 0.00 1 96 GLU -1.03 -0.09 1 97 GLN -0.46 0.37 1 98 LEU -1.21 0.13 1 99 TYR -2.04 0.42 1 100 HIS -2.76 0.36 1 101 SER 2.43 -0.25 1 102 ALA -4.39 0.58 1 103 GLU 0.06 0.14 1 104 LEU -4.01 0.56 1 105 HIS -4.18 0.97 1 106 LEU -6.99 0.30 1 108 ILE 3.06 -0.51 1 109 HIS 1.00 0.17 1 110 GLN -1.26 0.43 1 111 LEU 5.32 -0.49 1 112 GLU 3.31 -0.17 1 113 GLN 0.49 0.17 1 114 LEU 8.20 -0.81 1 116 TYR 2.53 -0.04 1 117 GLN 3.13 0.17 1 118 VAL 6.14 -0.46 1 119 ASP 4.69 -0.20 1 120 ALA 3.75 -0.07 1 121 ALA 4.47 -0.18 1 122 LEU 4.87 -0.30 1 123 ALA 3.43 -0.09 1 124 GLU 1.72 0.14 1 125 PHE 3.12 -0.95 1 126 LEU 2.30 -0.18 1 127 ARG 2.75 -0.30 1 128 LEU -1.02 -0.06 1 129 ALA 1.53 -0.63 1 131 VAL 0.68 -0.46 1 132 GLU -3.82 0.33 1 133 THR -0.85 0.34 1 134 MET -0.86 0.30 1 135 ALA -1.17 -0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5031_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.99 _LACS_plot.Line_1_terminator_val_y_1 -2.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.85 _LACS_plot.Line_2_terminator_val_x_2 6.26 _LACS_plot.Line_2_terminator_val_y_2 2.30 _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 94 ALA 0.17 -4.07 0 10 TRP -4.34 -2.16 1 11 VAL -3.84 -4.33 1 12 GLU -0.20 -1.30 1 13 SER -3.24 -0.26 1 14 THR 5.61 1.07 1 15 ALA 3.62 2.20 1 16 ILE 3.71 2.36 1 17 LEU 5.68 0.64 1 18 GLN 4.77 3.08 1 19 ASP 3.54 3.49 1 21 GLN 4.23 2.53 1 22 ARG 3.49 2.37 1 23 ALA 0.08 1.17 1 24 LEU -0.39 -2.93 1 25 SER 1.04 1.18 1 26 ALA 0.38 0.03 1 27 ASP 2.77 0.22 1 28 ARG 0.70 -2.07 1 29 TYR -1.87 -0.87 1 30 GLN -2.08 -1.16 1 31 LEU -1.60 -1.61 1 32 GLN -1.11 -1.94 1 33 VAL 0.23 -0.14 1 35 GLU -0.15 -2.65 1 36 SER -4.68 -0.14 1 38 GLU 4.13 2.67 1 39 MET 3.30 2.34 1 40 LEU 4.94 0.15 1 41 LEU 4.30 0.84 1 42 GLU 3.05 2.48 1 43 TYR 4.46 2.63 1 44 ALA 4.01 0.56 1 45 GLN 3.16 2.37 1 46 THR -0.16 0.44 1 47 HIS 2.17 1.16 1 48 ARG 4.75 0.41 1 49 ASP 1.42 0.09 1 50 GLN -1.65 -1.17 1 51 ILE -1.47 -2.17 1 52 ASP 1.31 -0.52 1 54 LEU -5.53 -1.71 1 55 ILE -0.71 -2.15 1 56 LEU -5.66 -2.73 1 57 VAL 1.43 -1.78 1 58 ALA 2.74 -1.57 1 59 ALA -0.03 -0.47 1 62 SER 2.06 -0.44 1 63 PHE 4.62 0.49 1 64 ARG 5.04 2.03 1 65 ALA 3.26 3.30 1 66 VAL 5.80 1.55 1 67 VAL 6.26 2.20 1 68 GLN 5.31 2.42 1 69 GLN 4.77 2.38 1 70 LEU 5.01 1.60 1 72 PHE 3.58 2.37 1 73 GLU -0.06 0.08 1 75 VAL 2.83 -2.05 1 76 VAL 0.75 -2.95 1 79 ALA -6.38 -2.78 1 80 ILE -4.78 -1.83 1 81 VAL -1.28 -0.40 1 82 VAL -1.47 0.50 1 84 ASP -1.79 -0.01 1 85 ARG -0.31 -0.45 1 86 ASP 0.18 0.17 1 87 SER 0.22 0.06 1 88 GLU -0.37 -0.63 1 91 ASP 0.34 -0.27 1 95 LYS -0.24 -0.31 1 96 GLU -1.03 -0.79 1 97 GLN -0.46 -0.60 1 98 LEU -1.21 -1.80 1 99 TYR -2.04 -0.83 1 100 HIS -2.76 1.87 1 101 SER 2.43 0.27 1 102 ALA -4.39 -1.21 1 103 GLU 0.06 1.27 1 104 LEU -4.01 -1.12 1 105 HIS -4.18 -0.07 1 106 LEU -6.99 -2.61 1 108 ILE 3.06 -0.07 1 109 HIS 1.00 1.97 1 110 GLN -1.26 0.51 1 111 LEU 5.32 0.24 1 112 GLU 3.31 1.27 1 113 GLN 0.49 1.01 1 116 TYR 2.53 2.91 1 117 GLN 3.13 2.04 1 118 VAL 6.14 1.05 1 119 ASP 4.69 3.50 1 120 ALA 3.75 1.81 1 121 ALA 4.47 4.05 1 122 LEU 4.87 1.57 1 123 ALA 3.43 3.51 1 124 GLU 1.72 1.07 1 125 PHE 3.12 0.36 1 126 LEU 2.30 2.28 1 127 ARG 2.75 1.87 1 128 LEU -1.02 -2.12 1 131 VAL 0.68 -0.95 1 132 GLU -3.82 0.33 1 133 THR -0.85 0.96 1 134 MET -0.86 -1.11 1 stop_ save_