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 bmr17831_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 -2.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 5.56 _LACS_plot.Line_2_terminator_val_y_2 4.47 _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 20 PHE -4.04 -4.42 0 10 ARG 0.48 0.32 1 11 SER 0.51 0.40 1 12 GLN 0.26 0.21 1 13 PHE -0.03 -0.08 1 14 VAL -0.56 -0.30 1 16 ALA 4.35 3.43 1 17 ASP 3.03 2.19 1 18 GLN 0.69 0.69 1 19 ALA 3.44 1.50 1 21 ALA -0.13 -0.26 1 22 PHE -3.67 -1.10 1 23 ASP -5.25 -1.66 1 24 PHE -5.80 -2.60 1 25 GLN -2.91 -0.01 1 26 GLN -2.67 -1.36 1 27 ASN -1.01 -0.58 1 28 GLN 5.56 2.75 1 29 HIS 2.66 2.80 1 30 ASP -1.00 0.19 1 31 LEU -4.37 -1.94 1 32 ASN -3.05 -0.63 1 33 LEU -2.65 -1.91 1 34 THR -3.60 -1.43 1 35 TRP -4.41 0.01 1 36 GLN -0.35 -0.54 1 37 ILE 0.15 -0.05 1 38 LYS 0.78 1.25 1 39 ASP 2.25 2.45 1 41 TYR -2.71 -1.10 1 42 TYR -4.52 -1.66 1 43 LEU -6.80 -2.46 1 44 TYR -0.92 0.18 1 45 ARG 4.46 4.18 1 46 LYS 2.74 1.62 1 47 GLN -1.76 -1.61 1 48 ILE 1.85 0.74 1 49 ARG -3.51 -0.80 1 50 ILE -2.49 -0.61 1 51 THR -2.45 -0.66 1 53 GLU -1.80 -0.08 1 54 HIS 4.31 1.78 1 55 ALA -5.69 -1.82 1 56 LYS -3.43 -1.26 1 57 ILE -4.68 -2.53 1 58 ALA -1.74 -1.31 1 59 ASP 1.97 1.46 1 60 VAL 0.75 0.66 1 61 GLN -1.31 -1.83 1 62 LEU 1.45 -0.24 1 64 GLN 1.90 1.85 1 66 VAL -3.57 -2.21 1 67 TRP 0.24 0.73 1 69 GLU -2.74 -1.11 1 70 ASP -4.55 -1.11 1 71 GLU 1.54 1.06 1 72 PHE 1.58 1.86 1 73 TYR -0.81 -0.12 1 75 LYS 0.67 0.62 1 76 SER -3.03 0.15 1 77 GLU -2.25 -1.30 1 78 ILE -5.81 -1.75 1 79 TYR -5.04 -2.23 1 80 ARG -4.82 -1.38 1 81 ASP 5.56 4.86 1 82 ARG -2.21 -0.48 1 83 LEU -4.08 -1.07 1 84 THR -1.22 -0.57 1 85 LEU -6.33 -2.36 1 87 VAL -4.04 -1.50 1 88 THR 0.28 0.50 1 89 ILE -0.67 -1.22 1 90 ASN 2.18 2.45 1 91 GLN -1.33 0.07 1 92 ALA -1.51 0.66 1 93 SER -1.21 -0.51 1 94 ALA 2.72 1.35 1 96 ALA -2.50 0.45 1 97 THR -6.57 -2.24 1 98 LEU -4.49 -1.54 1 99 THR 1.61 1.07 1 100 VAL -2.66 -1.39 1 101 THR -3.07 -1.54 1 102 TYR -2.14 -2.15 1 103 GLN -4.14 -0.88 1 106 ALA -5.14 -2.53 1 107 ASP 4.13 3.57 1 108 ALA 1.23 0.86 1 115 GLU -5.38 -2.36 1 116 THR -1.45 -0.13 1 117 LYS -5.84 -3.47 1 118 THR 0.84 0.61 1 119 VAL -2.03 -1.28 1 121 LEU -3.48 -2.48 1 122 SER -0.26 -0.17 1 123 GLU 0.14 1.06 1 124 VAL -3.29 -0.84 1 125 VAL 0.10 -0.15 1 126 ALA -0.50 -0.12 1 127 ASN -0.06 -0.08 1 128 ASN 0.04 0.02 1 129 ALA -0.57 -0.29 1 130 ALA -0.53 -0.27 1 132 GLN -0.54 -0.22 1 134 VAL 0.59 0.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17831_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 4.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 5.56 _LACS_plot.Line_2_terminator_val_y_2 -1.09 _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 20 PHE -4.04 -0.38 0 10 ARG 0.48 -0.16 1 11 SER 0.51 -0.11 1 12 GLN 0.26 -0.05 1 13 PHE -0.03 -0.05 1 14 VAL -0.56 0.26 1 16 ALA 4.35 -0.92 1 17 ASP 3.03 -0.84 1 18 GLN 0.69 0.00 1 19 ALA 3.44 -1.94 1 21 ALA -0.13 -0.13 1 22 PHE -3.67 2.57 1 23 ASP -5.25 3.59 1 24 PHE -5.80 3.20 1 25 GLN -2.91 2.90 1 26 GLN -2.67 1.31 1 27 ASN -1.01 0.43 1 28 GLN 5.56 -2.81 1 29 HIS 2.66 0.14 1 30 ASP -1.00 1.19 1 31 LEU -4.37 2.43 1 32 ASN -3.05 2.42 1 33 LEU -2.65 0.74 1 34 THR -3.60 2.17 1 35 TRP -4.41 4.42 1 36 GLN -0.35 -0.19 1 37 ILE 0.15 -0.20 1 38 LYS 0.78 0.47 1 39 ASP 2.25 0.20 1 41 TYR -2.71 1.61 1 42 TYR -4.52 2.86 1 43 LEU -6.80 4.34 1 44 TYR -0.92 1.10 1 45 ARG 4.46 -0.28 1 46 LYS 2.74 -1.12 1 47 GLN -1.76 0.15 1 48 ILE 1.85 -1.11 1 49 ARG -3.51 2.71 1 50 ILE -2.49 1.88 1 51 THR -2.45 1.79 1 53 GLU -1.80 1.72 1 54 HIS 4.31 -2.53 1 55 ALA -5.69 3.87 1 56 LYS -3.43 2.17 1 57 ILE -4.68 2.15 1 58 ALA -1.74 0.43 1 59 ASP 1.97 -0.51 1 60 VAL 0.75 -0.09 1 61 GLN -1.31 -0.52 1 62 LEU 1.45 -1.69 1 64 GLN 1.90 -0.05 1 66 VAL -3.57 1.36 1 67 TRP 0.24 0.49 1 69 GLU -2.74 1.63 1 70 ASP -4.55 3.44 1 71 GLU 1.54 -0.48 1 72 PHE 1.58 0.28 1 73 TYR -0.81 0.69 1 75 LYS 0.67 -0.05 1 76 SER -3.03 3.18 1 77 GLU -2.25 0.95 1 78 ILE -5.81 4.06 1 79 TYR -5.04 2.81 1 80 ARG -4.82 3.44 1 81 ASP 5.56 -0.70 1 82 ARG -2.21 1.73 1 83 LEU -4.08 3.01 1 84 THR -1.22 0.65 1 85 LEU -6.33 3.97 1 87 VAL -4.04 2.54 1 88 THR 0.28 0.22 1 89 ILE -0.67 -0.55 1 90 ASN 2.18 0.27 1 91 GLN -1.33 1.40 1 92 ALA -1.51 2.17 1 93 SER -1.21 0.70 1 94 ALA 2.72 -1.37 1 96 ALA -2.50 2.95 1 97 THR -6.57 4.33 1 98 LEU -4.49 2.95 1 99 THR 1.61 -0.54 1 100 VAL -2.66 1.27 1 101 THR -3.07 1.53 1 102 TYR -2.14 -0.01 1 103 GLN -4.14 3.26 1 106 ALA -5.14 2.61 1 107 ASP 4.13 -0.56 1 108 ALA 1.23 -0.37 1 115 GLU -5.38 3.02 1 116 THR -1.45 1.32 1 117 LYS -5.84 2.37 1 118 THR 0.84 -0.23 1 119 VAL -2.03 0.75 1 121 LEU -3.48 1.00 1 122 SER -0.26 0.09 1 123 GLU 0.14 0.92 1 124 VAL -3.29 2.45 1 125 VAL 0.10 -0.25 1 126 ALA -0.50 0.38 1 127 ASN -0.06 -0.02 1 128 ASN 0.04 -0.02 1 129 ALA -0.57 0.28 1 130 ALA -0.53 0.26 1 132 GLN -0.54 0.32 1 134 VAL 0.59 -0.09 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17831_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 0.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 5.56 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _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 23 ASP -5.25 -0.40 0 101 THR -3.07 1.43 0 19 ALA 3.44 -1.24 0 10 ARG 0.48 -0.05 1 11 SER 0.51 -0.12 1 12 GLN 0.26 -0.15 1 13 PHE -0.03 0.02 1 14 VAL -0.56 -0.03 1 16 ALA 4.35 -0.99 1 17 ASP 3.03 -0.19 1 18 GLN 0.69 -0.19 1 20 PHE -4.04 0.31 1 21 ALA -0.13 0.32 1 22 PHE -3.67 0.34 1 24 PHE -5.80 0.67 1 25 GLN -2.91 -0.01 1 26 GLN -2.67 0.67 1 27 ASN -1.01 0.06 1 28 GLN 5.56 -0.74 1 29 HIS 2.66 -0.24 1 30 ASP -1.00 0.36 1 31 LEU -4.37 0.74 1 32 ASN -3.05 0.57 1 33 LEU -2.65 0.22 1 34 THR -3.60 1.12 1 35 TRP -4.41 0.73 1 36 GLN -0.35 0.30 1 37 ILE 0.15 0.49 1 38 LYS 0.78 -0.26 1 39 ASP 2.25 -0.01 1 41 TYR -2.71 0.66 1 42 TYR -4.52 0.83 1 43 LEU -6.80 0.28 1 44 TYR -0.92 0.12 1 45 ARG 4.46 -0.42 1 46 LYS 2.74 -0.20 1 47 GLN -1.76 0.19 1 48 ILE 1.85 0.68 1 49 ARG -3.51 0.34 1 50 ILE -2.49 0.75 1 51 THR -2.45 0.40 1 53 GLU -1.80 0.08 1 54 HIS 4.31 -0.56 1 55 ALA -5.69 0.59 1 56 LYS -3.43 0.43 1 57 ILE -4.68 1.04 1 58 ALA -1.74 0.12 1 59 ASP 1.97 -0.24 1 60 VAL 0.75 -0.05 1 61 GLN -1.31 0.18 1 62 LEU 1.45 -0.17 1 64 GLN 1.90 -0.22 1 66 VAL -3.57 0.38 1 67 TRP 0.24 0.18 1 69 GLU -2.74 0.45 1 70 ASP -4.55 0.08 1 71 GLU 1.54 -0.27 1 72 PHE 1.58 -0.27 1 73 TYR -0.81 0.03 1 75 LYS 0.67 0.72 1 76 SER -3.03 0.43 1 77 GLU -2.25 -0.40 1 78 ILE -5.81 0.88 1 79 TYR -5.04 0.73 1 80 ARG -4.82 0.29 1 81 ASP 5.56 -0.25 1 82 ARG -2.21 0.70 1 83 LEU -4.08 0.24 1 84 THR -1.22 0.89 1 85 LEU -6.33 0.40 1 87 VAL -4.04 0.32 1 88 THR 0.28 0.56 1 89 ILE -0.67 -0.04 1 90 ASN 2.18 0.00 1 91 GLN -1.33 -0.16 1 92 ALA -1.51 0.42 1 93 SER -1.21 0.18 1 94 ALA 2.72 -0.14 1 96 ALA -2.50 0.18 1 97 THR -6.57 0.81 1 98 LEU -4.49 0.53 1 99 THR 1.61 0.52 1 100 VAL -2.66 0.86 1 102 TYR -2.14 0.28 1 103 GLN -4.14 0.71 1 106 ALA -5.14 0.20 1 107 ASP 4.13 -0.12 1 108 ALA 1.23 -0.03 1 115 GLU -5.38 0.01 1 116 THR -1.45 0.74 1 117 LYS -5.84 0.37 1 118 THR 0.84 0.39 1 119 VAL -2.03 -0.47 1 121 LEU -3.48 0.24 1 122 SER -0.26 -0.10 1 123 GLU 0.14 -0.71 1 124 VAL -3.29 0.04 1 125 VAL 0.10 0.07 1 126 ALA -0.50 0.22 1 127 ASN -0.06 -0.06 1 128 ASN 0.04 -0.07 1 129 ALA -0.57 -0.05 1 130 ALA -0.53 -0.06 1 132 GLN -0.54 -0.07 1 134 VAL 0.59 0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17831_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 -2.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.23 _LACS_plot.Line_2_terminator_val_x_2 5.56 _LACS_plot.Line_2_terminator_val_y_2 0.71 _LACS_plot.Y_axis_chem_shift_offset 0.72 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 LEU -6.80 0.18 0 28 GLN 5.56 -1.52 0 81 ASP 5.56 -1.58 0 106 ALA -5.14 1.33 0 23 ASP -5.25 -4.98 0 10 ARG 0.48 0.21 1 11 SER 0.51 -0.32 1 12 GLN 0.26 -0.83 1 13 PHE -0.03 -0.45 1 14 VAL -0.56 -1.44 1 16 ALA 4.35 0.64 1 17 ASP 3.03 0.30 1 18 GLN 0.69 0.33 1 19 ALA 3.44 -2.32 1 20 PHE -4.04 -2.49 1 21 ALA -0.13 -1.39 1 22 PHE -3.67 -1.71 1 24 PHE -5.80 -2.21 1 25 GLN -2.91 -2.08 1 26 GLN -2.67 -1.74 1 27 ASN -1.01 -0.84 1 29 HIS 2.66 -0.41 1 30 ASP -1.00 -2.47 1 31 LEU -4.37 -3.85 1 32 ASN -3.05 -0.91 1 33 LEU -2.65 -2.59 1 34 THR -3.60 -2.66 1 35 TRP -4.41 -0.36 1 36 GLN -0.35 -0.56 1 37 ILE 0.15 -1.34 1 38 LYS 0.78 -1.18 1 39 ASP 2.25 1.17 1 41 TYR -2.71 -2.05 1 42 TYR -4.52 -2.48 1 44 TYR -0.92 0.96 1 45 ARG 4.46 1.32 1 46 LYS 2.74 -0.30 1 47 GLN -1.76 -1.06 1 48 ILE 1.85 -0.36 1 49 ARG -3.51 -1.74 1 50 ILE -2.49 -1.08 1 51 THR -2.45 0.03 1 53 GLU -1.80 -1.78 1 54 HIS 4.31 -2.12 1 55 ALA -5.69 -2.83 1 56 LYS -3.43 -0.80 1 57 ILE -4.68 -1.09 1 58 ALA -1.74 -0.22 1 59 ASP 1.97 0.33 1 60 VAL 0.75 -0.29 1 61 GLN -1.31 -1.15 1 62 LEU 1.45 0.15 1 64 GLN 1.90 0.99 1 66 VAL -3.57 -1.18 1 67 TRP 0.24 0.35 1 69 GLU -2.74 -2.54 1 70 ASP -4.55 0.13 1 71 GLU 1.54 -0.74 1 72 PHE 1.58 1.18 1 73 TYR -0.81 0.49 1 75 LYS 0.67 0.12 1 76 SER -3.03 -3.24 1 77 GLU -2.25 0.32 1 78 ILE -5.81 -2.89 1 79 TYR -5.04 -0.82 1 80 ARG -4.82 -0.21 1 82 ARG -2.21 -2.24 1 83 LEU -4.08 -3.32 1 84 THR -1.22 -2.17 1 85 LEU -6.33 -2.61 1 87 VAL -4.04 -0.91 1 88 THR 0.28 -1.36 1 89 ILE -0.67 -1.14 1 90 ASN 2.18 -0.08 1 91 GLN -1.33 -2.85 1 92 ALA -1.51 -1.66 1 93 SER -1.21 -1.82 1 94 ALA 2.72 1.52 1 96 ALA -2.50 -0.68 1 97 THR -6.57 -1.15 1 98 LEU -4.49 -1.89 1 99 THR 1.61 -0.76 1 100 VAL -2.66 -2.54 1 101 THR -3.07 -2.12 1 102 TYR -2.14 -3.50 1 103 GLN -4.14 -2.06 1 107 ASP 4.13 1.13 1 108 ALA 1.23 0.39 1 115 GLU -5.38 -2.06 1 116 THR -1.45 -0.68 1 117 LYS -5.84 -1.43 1 118 THR 0.84 -0.97 1 119 VAL -2.03 -1.94 1 121 LEU -3.48 -0.32 1 122 SER -0.26 -1.45 1 123 GLU 0.14 -0.29 1 124 VAL -3.29 -1.06 1 125 VAL 0.10 -0.70 1 126 ALA -0.50 0.01 1 127 ASN -0.06 -0.12 1 128 ASN 0.04 -0.51 1 129 ALA -0.57 -0.90 1 134 VAL 0.59 0.43 1 stop_ save_