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 bmr19042_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 -2.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.48 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.22 _LACS_plot.Line_2_terminator_val_x_2 8.98 _LACS_plot.Line_2_terminator_val_y_2 6.85 _LACS_plot.Y_axis_chem_shift_offset -0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 ARG 7.05 2.00 0 10 ALA 4.00 3.05 1 11 ARG 4.38 3.35 1 12 ARG 5.41 4.79 1 13 PHE 6.78 5.92 1 14 ASP 4.12 3.91 1 15 THR 0.38 1.53 1 16 GLU -0.75 0.49 1 17 PHE 0.58 2.18 1 18 ALA 8.98 6.50 1 20 ARG 3.88 3.71 1 21 ILE 4.99 4.88 1 22 ALA 5.31 3.73 1 23 ARG 3.72 3.23 1 24 ALA 2.67 2.47 1 25 ILE 5.90 5.10 1 26 ALA 4.85 3.65 1 27 ASP 4.01 3.35 1 28 LEU 3.39 2.46 1 29 LEU 0.75 -1.25 1 30 ASN 2.92 1.37 1 31 HIS 5.71 3.94 1 32 ARG 1.15 0.12 1 33 ALA -5.52 -1.95 1 34 HIS -2.27 0.49 1 35 THR -6.08 -4.15 1 36 ASP -3.59 -1.37 1 37 VAL -3.32 -1.35 1 38 VAL 0.14 -0.21 1 40 TYR 2.02 2.32 1 43 HIS 2.54 3.80 1 45 HIS -0.43 0.00 1 47 THR 3.88 3.84 1 48 GLN -6.19 -2.47 1 49 VAL -0.54 0.02 1 50 ARG -3.19 -1.52 1 51 ILE -2.34 -0.30 1 52 VAL -5.74 -2.09 1 53 ALA -3.83 -0.96 1 55 HIS -0.07 1.84 1 56 ALA -2.07 -0.61 1 57 GLU -0.28 0.02 1 58 HIS -0.11 1.28 1 59 VAL -0.01 -0.02 1 60 ARG -0.47 -0.44 1 62 TYR -1.09 -0.69 1 63 ALA 0.52 1.60 1 64 HIS -1.71 0.50 1 66 LEU -0.32 0.31 1 67 ASN 2.82 0.57 1 68 LEU -4.87 -0.79 1 69 ALA -3.56 -1.08 1 70 LEU -2.34 -1.12 1 71 THR -4.19 -1.69 1 72 TRP -2.75 0.78 1 73 ASN -0.69 0.03 1 74 THR 5.90 5.07 1 75 ASP 4.52 3.12 1 76 GLU 3.28 1.83 1 77 ILE 5.84 5.01 1 78 GLU 4.28 3.22 1 79 ARG 3.48 2.90 1 80 LEU 2.92 1.43 1 81 MET -0.32 -1.92 1 82 GLU -2.08 -1.04 1 83 ALA 4.26 3.39 1 84 ASP 1.11 -0.13 1 86 ALA 4.71 3.38 1 87 ALA 3.33 2.38 1 88 ARG 5.19 4.09 1 89 PHE 4.90 4.20 1 90 GLU 4.04 2.98 1 91 ARG 4.17 3.64 1 92 TYR 5.22 4.21 1 93 LEU 3.41 2.30 1 94 ALA 2.20 1.24 1 95 ALA -1.49 -0.95 1 96 LEU 7.18 6.16 1 98 ARG 3.31 2.39 1 99 LYS 4.23 0.90 1 100 LEU 5.60 4.04 1 101 ALA 3.22 2.19 1 102 ALA 3.71 2.32 1 103 TRP 2.77 1.49 1 104 GLU 2.66 3.54 1 105 ASN 1.87 2.45 1 106 ALA 0.12 1.68 1 107 ARG -2.93 -3.26 1 109 VAL -4.43 -2.13 1 110 ASP -2.96 -1.50 1 111 PHE 6.70 5.17 1 113 SER -0.03 0.25 1 115 THR -6.47 -2.26 1 116 GLN -3.16 -1.35 1 117 ALA 1.89 2.02 1 118 ASP -5.59 -2.21 1 119 ALA 3.77 2.72 1 120 LEU -2.91 -0.67 1 121 VAL -1.29 -0.44 1 122 LEU -1.91 -1.73 1 123 LEU -0.77 -1.68 1 126 LEU 1.44 0.13 1 127 ASP -5.55 -3.10 1 128 PHE 1.36 -0.30 1 129 GLU -0.23 -0.11 1 130 ALA -0.03 1.19 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19042_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 3.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.78 _LACS_plot.Line_2_terminator_val_x_2 8.98 _LACS_plot.Line_2_terminator_val_y_2 -2.13 _LACS_plot.Y_axis_chem_shift_offset -0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 ARG 7.05 -5.05 0 10 ALA 4.00 -0.95 1 11 ARG 4.38 -1.03 1 12 ARG 5.41 -0.62 1 13 PHE 6.78 -0.86 1 14 ASP 4.12 -0.21 1 15 THR 0.38 1.15 1 16 GLU -0.75 1.24 1 17 PHE 0.58 1.60 1 18 ALA 8.98 -2.48 1 20 ARG 3.88 -0.17 1 21 ILE 4.99 -0.11 1 22 ALA 5.31 -1.58 1 23 ARG 3.72 -0.49 1 24 ALA 2.67 -0.20 1 25 ILE 5.90 -0.80 1 26 ALA 4.85 -1.20 1 27 ASP 4.01 -0.66 1 28 LEU 3.39 -0.93 1 29 LEU 0.75 -2.00 1 30 ASN 2.92 -1.55 1 31 HIS 5.71 -1.77 1 32 ARG 1.15 -1.03 1 33 ALA -5.52 3.57 1 34 HIS -2.27 2.76 1 35 THR -6.08 1.93 1 36 ASP -3.59 2.22 1 37 VAL -3.32 1.97 1 38 VAL 0.14 -0.35 1 40 TYR 2.02 0.30 1 43 HIS 2.54 1.26 1 45 HIS -0.43 0.43 1 47 THR 3.88 -0.04 1 48 GLN -6.19 3.72 1 49 VAL -0.54 0.56 1 50 ARG -3.19 1.67 1 51 ILE -2.34 2.04 1 52 VAL -5.74 3.65 1 53 ALA -3.83 2.87 1 55 HIS -0.07 1.91 1 56 ALA -2.07 1.46 1 57 GLU -0.28 0.30 1 58 HIS -0.11 1.39 1 59 VAL -0.01 -0.01 1 60 ARG -0.47 0.03 1 62 TYR -1.09 0.40 1 63 ALA 0.52 1.08 1 64 HIS -1.71 2.21 1 66 LEU -0.32 0.63 1 67 ASN 2.82 -2.25 1 68 LEU -4.87 4.08 1 69 ALA -3.56 2.48 1 70 LEU -2.34 1.22 1 71 THR -4.19 2.50 1 72 TRP -2.75 3.53 1 73 ASN -0.69 0.72 1 74 THR 5.90 -0.83 1 75 ASP 4.52 -1.40 1 76 GLU 3.28 -1.45 1 77 ILE 5.84 -0.83 1 78 GLU 4.28 -1.06 1 79 ARG 3.48 -0.58 1 80 LEU 2.92 -1.49 1 81 MET -0.32 -1.60 1 82 GLU -2.08 1.04 1 83 ALA 4.26 -0.87 1 84 ASP 1.11 -1.24 1 86 ALA 4.71 -1.33 1 87 ALA 3.33 -0.95 1 88 ARG 5.19 -1.10 1 89 PHE 4.90 -0.70 1 90 GLU 4.04 -1.06 1 91 ARG 4.17 -0.53 1 92 TYR 5.22 -1.01 1 93 LEU 3.41 -1.11 1 94 ALA 2.20 -0.96 1 95 ALA -1.49 0.54 1 96 LEU 7.18 -1.02 1 98 ARG 3.31 -0.92 1 99 LYS 4.23 -3.33 1 100 LEU 5.60 -1.56 1 101 ALA 3.22 -1.03 1 102 ALA 3.71 -1.39 1 103 TRP 2.77 -1.28 1 104 GLU 2.66 0.88 1 105 ASN 1.87 0.58 1 106 ALA 0.12 1.56 1 107 ARG -2.93 -0.33 1 109 VAL -4.43 2.30 1 110 ASP -2.96 1.46 1 111 PHE 6.70 -1.53 1 113 SER -0.03 0.28 1 115 THR -6.47 4.21 1 116 GLN -3.16 1.81 1 117 ALA 1.89 0.13 1 118 ASP -5.59 3.38 1 119 ALA 3.77 -1.05 1 120 LEU -2.91 2.24 1 121 VAL -1.29 0.85 1 122 LEU -1.91 0.18 1 123 LEU -0.77 -0.91 1 126 LEU 1.44 -1.31 1 127 ASP -5.55 2.45 1 128 PHE 1.36 -1.66 1 129 GLU -0.23 0.12 1 130 ALA -0.03 1.22 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19042_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 0.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 8.98 _LACS_plot.Line_2_terminator_val_y_2 -0.81 _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 127 ASP -5.55 -0.01 0 35 THR -6.08 1.47 0 48 GLN -6.19 1.49 0 10 ALA 4.00 -0.48 1 11 ARG 4.38 -0.14 1 12 ARG 5.41 -0.35 1 13 PHE 6.78 -0.29 1 14 ASP 4.12 -0.35 1 15 THR 0.38 0.04 1 16 GLU -0.75 -0.01 1 17 PHE 0.58 -0.47 1 18 ALA 8.98 -0.97 1 20 ARG 3.88 -0.22 1 21 ILE 4.99 -0.52 1 22 ALA 5.31 -0.53 1 23 ARG 3.72 -0.23 1 24 ALA 2.67 -0.07 1 25 ILE 5.90 -0.65 1 26 ALA 4.85 -0.65 1 27 ASP 4.01 -0.48 1 28 LEU 3.39 -0.24 1 29 LEU 0.75 0.10 1 30 ASN 2.92 -0.29 1 31 HIS 5.71 -0.77 1 32 ARG 1.15 0.10 1 33 ALA -5.52 0.31 1 34 HIS -2.27 0.18 1 36 ASP -3.59 0.00 1 37 VAL -3.32 0.93 1 38 VAL 0.14 0.02 1 40 TYR 2.02 -0.17 1 43 HIS 2.54 -0.33 1 45 HIS -0.43 -0.11 1 47 THR 3.88 0.08 1 49 VAL -0.54 0.96 1 50 ARG -3.19 1.05 1 51 ILE -2.34 0.56 1 52 VAL -5.74 0.83 1 53 ALA -3.83 0.42 1 55 HIS -0.07 -0.16 1 56 ALA -2.07 0.09 1 57 GLU -0.28 -0.14 1 58 HIS -0.11 -0.12 1 59 VAL -0.01 0.01 1 60 ARG -0.47 0.04 1 62 TYR -1.09 0.01 1 63 ALA 0.52 -0.27 1 64 HIS -1.71 -0.06 1 66 LEU -0.32 -0.41 1 67 ASN 2.82 0.47 1 68 LEU -4.87 1.26 1 69 ALA -3.56 0.78 1 70 LEU -2.34 0.52 1 71 THR -4.19 0.50 1 72 TRP -2.75 -0.03 1 73 ASN -0.69 -0.12 1 74 THR 5.90 -0.66 1 75 ASP 4.52 -0.28 1 76 GLU 3.28 -0.26 1 77 ILE 5.84 -1.01 1 78 GLU 4.28 -0.50 1 79 ARG 3.48 -0.26 1 80 LEU 2.92 -0.59 1 81 MET -0.32 -0.02 1 82 GLU -2.08 0.06 1 83 ALA 4.26 -0.15 1 84 ASP 1.11 0.18 1 86 ALA 4.71 -0.04 1 87 ALA 3.33 -0.08 1 88 ARG 5.19 -0.38 1 89 PHE 4.90 -0.39 1 90 GLU 4.04 -0.44 1 91 ARG 4.17 -0.27 1 92 TYR 5.22 -0.61 1 93 LEU 3.41 -0.73 1 94 ALA 2.20 -0.23 1 95 ALA -1.49 0.12 1 96 LEU 7.18 -0.97 1 98 ARG 3.31 -0.25 1 99 LYS 4.23 -0.76 1 100 LEU 5.60 -0.62 1 101 ALA 3.22 0.09 1 102 ALA 3.71 -0.06 1 103 TRP 2.77 0.00 1 104 GLU 2.66 -0.13 1 105 ASN 1.87 -0.08 1 106 ALA 0.12 0.12 1 107 ARG -2.93 0.39 1 109 VAL -4.43 0.03 1 110 ASP -2.96 0.47 1 111 PHE 6.70 -0.46 1 113 SER -0.03 -0.10 1 114 ARG 7.05 -0.66 1 115 THR -6.47 1.11 1 116 GLN -3.16 0.53 1 117 ALA 1.89 -0.09 1 118 ASP -5.59 0.15 1 119 ALA 3.77 -0.97 1 120 LEU -2.91 0.23 1 121 VAL -1.29 -0.10 1 122 LEU -1.91 0.55 1 123 LEU -0.77 -0.03 1 126 LEU 1.44 -0.35 1 128 PHE 1.36 -0.14 1 129 GLU -0.23 -0.25 1 130 ALA -0.03 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19042_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 -2.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.99 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.63 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 2.82 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 ARG 7.05 -0.51 0 123 LEU -0.77 -4.57 0 48 GLN -6.19 1.28 0 10 ALA 4.00 0.97 1 11 ARG 4.38 4.20 1 12 ARG 5.41 3.27 1 13 PHE 6.78 1.77 1 14 ASP 4.12 1.19 1 15 THR 0.38 1.24 1 16 GLU -0.75 0.17 1 17 PHE 0.58 0.55 1 20 ARG 3.88 0.47 1 21 ILE 4.99 1.00 1 22 ALA 5.31 3.28 1 23 ARG 3.72 1.34 1 24 ALA 2.67 3.49 1 25 ILE 5.90 3.57 1 26 ALA 4.85 2.33 1 27 ASP 4.01 4.23 1 28 LEU 3.39 0.98 1 29 LEU 0.75 -0.46 1 30 ASN 2.92 -1.06 1 31 HIS 5.71 1.33 1 32 ARG 1.15 -1.38 1 33 ALA -5.52 -2.88 1 34 HIS -2.27 1.09 1 35 THR -6.08 -1.81 1 36 ASP -3.59 -2.95 1 37 VAL -3.32 0.14 1 38 VAL 0.14 -0.66 1 40 TYR 2.02 1.92 1 47 THR 3.88 -0.06 1 49 VAL -0.54 -0.97 1 50 ARG -3.19 -0.53 1 51 ILE -2.34 -1.36 1 52 VAL -5.74 -0.87 1 55 HIS -0.07 0.97 1 56 ALA -2.07 -0.92 1 57 GLU -0.28 -0.37 1 58 HIS -0.11 1.01 1 59 VAL -0.01 -0.76 1 60 ARG -0.47 -0.75 1 62 TYR -1.09 -0.15 1 63 ALA 0.52 -0.47 1 66 LEU -0.32 -1.22 1 67 ASN 2.82 -1.83 1 68 LEU -4.87 -0.89 1 69 ALA -3.56 -4.01 1 70 LEU -2.34 -1.73 1 71 THR -4.19 -2.78 1 72 TRP -2.75 0.83 1 73 ASN -0.69 1.46 1 74 THR 5.90 0.26 1 75 ASP 4.52 3.07 1 76 GLU 3.28 2.42 1 77 ILE 5.84 1.62 1 78 GLU 4.28 4.01 1 79 ARG 3.48 3.10 1 80 LEU 2.92 -1.37 1 81 MET -0.32 2.01 1 82 GLU -2.08 1.28 1 83 ALA 4.26 1.51 1 84 ASP 1.11 0.91 1 86 ALA 4.71 2.91 1 87 ALA 3.33 3.28 1 88 ARG 5.19 3.41 1 89 PHE 4.90 1.06 1 90 GLU 4.04 3.94 1 91 ARG 4.17 2.34 1 92 TYR 5.22 1.59 1 93 LEU 3.41 3.16 1 94 ALA 2.20 0.26 1 95 ALA -1.49 0.26 1 98 ARG 3.31 3.18 1 99 LYS 4.23 0.37 1 100 LEU 5.60 1.52 1 101 ALA 3.22 2.63 1 102 ALA 3.71 4.02 1 103 TRP 2.77 2.73 1 104 GLU 2.66 2.72 1 105 ASN 1.87 1.93 1 106 ALA 0.12 2.00 1 107 ARG -2.93 0.17 1 109 VAL -4.43 -2.54 1 110 ASP -2.96 0.10 1 111 PHE 6.70 1.70 1 113 SER -0.03 -0.29 1 115 THR -6.47 -2.57 1 116 GLN -3.16 -1.04 1 117 ALA 1.89 -0.31 1 118 ASP -5.59 -1.13 1 119 ALA 3.77 -0.13 1 120 LEU -2.91 -3.02 1 121 VAL -1.29 -3.46 1 122 LEU -1.91 -1.76 1 126 LEU 1.44 -2.28 1 127 ASP -5.55 -1.28 1 128 PHE 1.36 -0.26 1 129 GLU -0.23 -0.67 1 stop_ save_