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 bmr10011_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.44 _LACS_plot.Line_1_terminator_val_y_1 -3.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.53 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 6.72 _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 92 HIS 5.49 8.21 0 11 SER -0.35 0.00 1 13 VAL 1.19 0.64 1 14 GLU 1.19 1.03 1 16 ALA 0.63 0.63 1 17 ALA 1.51 0.82 1 18 PHE 1.29 0.99 1 19 GLN 0.70 0.73 1 20 SER 0.22 0.18 1 21 ARG 1.13 0.29 1 22 LEU -0.70 -0.55 1 24 HIS 2.14 3.98 1 25 ASP -1.21 -1.45 1 26 ARG -3.50 -1.23 1 27 MET -0.73 0.40 1 28 THR -2.79 -1.25 1 29 SER 5.20 3.49 1 30 GLN 4.01 3.46 1 31 GLU 3.47 2.81 1 32 ALA 3.80 2.67 1 33 ALA 2.34 1.70 1 35 PHE 1.28 -0.22 1 37 ASP 3.03 0.54 1 38 ILE 2.12 -0.33 1 39 ILE 1.41 0.52 1 40 SER -0.08 0.13 1 43 GLN 4.94 3.84 1 44 GLN 5.45 3.78 1 45 THR 5.45 3.91 1 46 GLN 6.17 4.21 1 47 LYS 4.75 3.64 1 48 VAL 6.34 5.24 1 49 PHE 5.14 5.04 1 50 LEU 3.35 2.67 1 51 PHE 4.51 4.47 1 52 ILE 4.98 4.89 1 53 ARG 5.70 5.00 1 54 ASN 4.34 2.71 1 55 ARG 3.30 1.50 1 56 THR 8.67 6.73 1 57 LEU 3.49 3.21 1 58 GLN 4.29 3.39 1 59 LEU 2.35 2.73 1 60 TRP 0.78 1.41 1 61 LEU 2.91 2.01 1 62 ASP 1.86 1.88 1 63 ASN 0.81 0.41 1 65 LYS 0.09 -0.48 1 66 ILE -5.28 -2.24 1 67 GLN 0.97 0.97 1 68 LEU -0.27 -1.21 1 69 THR -2.38 -0.88 1 70 PHE 3.46 2.37 1 71 GLU 6.05 4.50 1 72 ALA 2.24 2.14 1 73 THR 7.53 5.96 1 74 LEU 3.38 2.83 1 75 GLN 2.53 2.01 1 76 GLN -1.50 -0.09 1 77 LEU -2.78 -0.77 1 78 GLU -2.50 -1.18 1 79 ALA 1.89 1.09 1 81 TYR 4.21 2.84 1 82 ASN 0.43 -1.16 1 83 SER 2.90 2.86 1 84 ASP -1.25 -2.25 1 85 THR 5.76 4.18 1 86 VAL 5.72 4.06 1 87 LEU 4.81 3.22 1 88 VAL 6.84 5.33 1 89 HIS 4.50 5.45 1 90 ARG 1.98 4.01 1 91 VAL 6.98 5.73 1 93 SER 3.81 3.37 1 94 TYR 4.06 3.57 1 95 LEU 3.40 2.68 1 96 GLU 2.75 3.07 1 97 ARG 4.06 2.91 1 98 HIS 2.78 2.21 1 100 LEU -0.14 0.93 1 101 ILE -6.44 -3.25 1 102 ASN 4.24 1.14 1 103 PHE -3.72 -1.91 1 105 ILE 0.37 -0.38 1 106 TYR -1.66 -1.28 1 107 LYS -0.39 -0.17 1 108 ARG 0.27 0.14 1 109 ILE -0.24 -0.28 1 110 LYS -0.57 -0.25 1 112 LEU 0.11 0.05 1 114 THR -0.20 0.00 1 115 LYS -0.07 0.06 1 116 LYS 0.10 0.11 1 117 THR 0.02 0.11 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10011_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.44 _LACS_plot.Line_1_terminator_val_y_1 3.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.47 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 -1.95 _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 92 HIS 5.49 2.72 0 11 SER -0.35 0.35 1 13 VAL 1.19 -0.55 1 14 GLU 1.19 -0.16 1 16 ALA 0.63 0.00 1 17 ALA 1.51 -0.69 1 18 PHE 1.29 -0.30 1 19 GLN 0.70 0.03 1 20 SER 0.22 -0.04 1 21 ARG 1.13 -0.84 1 22 LEU -0.70 0.15 1 24 HIS 2.14 1.84 1 25 ASP -1.21 -0.24 1 26 ARG -3.50 2.27 1 27 MET -0.73 1.13 1 28 THR -2.79 1.54 1 29 SER 5.20 -1.71 1 30 GLN 4.01 -0.55 1 31 GLU 3.47 -0.66 1 32 ALA 3.80 -1.13 1 33 ALA 2.34 -0.64 1 35 PHE 1.28 -1.50 1 37 ASP 3.03 -2.49 1 38 ILE 2.12 -2.45 1 39 ILE 1.41 -0.89 1 40 SER -0.08 0.21 1 43 GLN 4.94 -1.10 1 44 GLN 5.45 -1.67 1 45 THR 5.45 -1.54 1 46 GLN 6.17 -1.96 1 47 LYS 4.75 -1.11 1 48 VAL 6.34 -1.10 1 49 PHE 5.14 -0.10 1 50 LEU 3.35 -0.68 1 51 PHE 4.51 -0.04 1 52 ILE 4.98 -0.09 1 53 ARG 5.70 -0.70 1 54 ASN 4.34 -1.63 1 55 ARG 3.30 -1.80 1 56 THR 8.67 -1.94 1 57 LEU 3.49 -0.28 1 58 GLN 4.29 -0.90 1 59 LEU 2.35 0.38 1 60 TRP 0.78 0.63 1 61 LEU 2.91 -0.90 1 62 ASP 1.86 0.02 1 63 ASN 0.81 -0.40 1 65 LYS 0.09 -0.57 1 66 ILE -5.28 3.04 1 67 GLN 0.97 0.00 1 68 LEU -0.27 -0.94 1 69 THR -2.38 1.50 1 70 PHE 3.46 -1.09 1 71 GLU 6.05 -1.55 1 72 ALA 2.24 -0.10 1 73 THR 7.53 -1.57 1 74 LEU 3.38 -0.55 1 75 GLN 2.53 -0.52 1 76 GLN -1.50 1.41 1 77 LEU -2.78 2.01 1 78 GLU -2.50 1.32 1 79 ALA 1.89 -0.80 1 81 TYR 4.21 -1.37 1 82 ASN 0.43 -1.59 1 83 SER 2.90 -0.04 1 84 ASP -1.25 -1.00 1 85 THR 5.76 -1.58 1 86 VAL 5.72 -1.66 1 87 LEU 4.81 -1.59 1 88 VAL 6.84 -1.51 1 89 HIS 4.50 0.95 1 90 ARG 1.98 2.03 1 91 VAL 6.98 -1.25 1 93 SER 3.81 -0.44 1 94 TYR 4.06 -0.49 1 95 LEU 3.40 -0.72 1 96 GLU 2.75 0.32 1 97 ARG 4.06 -1.15 1 98 HIS 2.78 -0.57 1 100 LEU -0.14 1.07 1 101 ILE -6.44 3.19 1 102 ASN 4.24 -3.10 1 103 PHE -3.72 1.81 1 105 ILE 0.37 -0.75 1 106 TYR -1.66 0.38 1 107 LYS -0.39 0.22 1 108 ARG 0.27 -0.13 1 109 ILE -0.24 -0.04 1 110 LYS -0.57 0.32 1 112 LEU 0.11 -0.06 1 114 THR -0.20 0.20 1 115 LYS -0.07 0.13 1 116 LYS 0.10 0.01 1 117 THR 0.02 0.09 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10011_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.44 _LACS_plot.Line_1_terminator_val_y_1 0.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.08 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 -0.82 _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 101 ILE -6.44 -1.75 0 11 SER -0.35 -0.01 1 13 VAL 1.19 -0.11 1 14 GLU 1.19 -0.22 1 16 ALA 0.63 -0.12 1 17 ALA 1.51 -0.18 1 18 PHE 1.29 -0.12 1 19 GLN 0.70 -0.11 1 20 SER 0.22 -0.05 1 21 ARG 1.13 -0.08 1 22 LEU -0.70 -0.02 1 24 HIS 2.14 -0.58 1 25 ASP -1.21 -0.16 1 26 ARG -3.50 0.16 1 27 MET -0.73 0.06 1 28 THR -2.79 0.07 1 29 SER 5.20 -0.31 1 30 GLN 4.01 -0.17 1 31 GLU 3.47 -0.86 1 32 ALA 3.80 -0.73 1 33 ALA 2.34 -0.26 1 35 PHE 1.28 -0.30 1 37 ASP 3.03 -0.45 1 38 ILE 2.12 -0.24 1 39 ILE 1.41 -0.20 1 40 SER -0.08 0.03 1 43 GLN 4.94 -0.43 1 44 GLN 5.45 -0.26 1 45 THR 5.45 -0.24 1 46 GLN 6.17 -0.52 1 47 LYS 4.75 -0.28 1 48 VAL 6.34 -0.23 1 49 PHE 5.14 -0.95 1 50 LEU 3.35 -0.72 1 51 PHE 4.51 -0.75 1 52 ILE 4.98 -0.83 1 53 ARG 5.70 -0.92 1 54 ASN 4.34 -0.45 1 55 ARG 3.30 -0.42 1 56 THR 8.67 -0.63 1 57 LEU 3.49 -0.35 1 58 GLN 4.29 -0.53 1 59 LEU 2.35 -0.33 1 60 TRP 0.78 0.03 1 61 LEU 2.91 -0.85 1 62 ASP 1.86 -0.28 1 63 ASN 0.81 -0.35 1 65 LYS 0.09 0.04 1 66 ILE -5.28 0.48 1 67 GLN 0.97 -0.46 1 68 LEU -0.27 0.48 1 69 THR -2.38 0.30 1 70 PHE 3.46 -1.21 1 71 GLU 6.05 -1.16 1 72 ALA 2.24 -0.31 1 73 THR 7.53 -0.80 1 74 LEU 3.38 -0.60 1 75 GLN 2.53 -0.36 1 76 GLN -1.50 0.02 1 77 LEU -2.78 0.19 1 78 GLU -2.50 -0.03 1 79 ALA 1.89 -0.41 1 81 TYR 4.21 -0.46 1 82 ASN 0.43 -0.52 1 83 SER 2.90 -0.38 1 84 ASP -1.25 0.39 1 85 THR 5.76 -0.53 1 86 VAL 5.72 -0.35 1 87 LEU 4.81 -0.11 1 88 VAL 6.84 -0.56 1 89 HIS 4.50 -0.80 1 90 ARG 1.98 -0.17 1 91 VAL 6.98 -0.27 1 92 HIS 5.49 -0.95 1 93 SER 3.81 -0.20 1 94 TYR 4.06 -0.12 1 95 LEU 3.40 -0.76 1 96 GLU 2.75 -0.53 1 97 ARG 4.06 -0.34 1 98 HIS 2.78 -0.35 1 100 LEU -0.14 -0.18 1 102 ASN 4.24 -1.42 1 103 PHE -3.72 0.30 1 105 ILE 0.37 -0.05 1 106 TYR -1.66 0.06 1 107 LYS -0.39 -0.09 1 108 ARG 0.27 0.03 1 109 ILE -0.24 0.01 1 110 LYS -0.57 0.03 1 112 LEU 0.11 -0.13 1 114 THR -0.20 -0.07 1 116 LYS 0.10 0.05 1 117 THR 0.02 0.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10011_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.44 _LACS_plot.Line_1_terminator_val_y_1 -3.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.76 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 3.13 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 ASN 4.24 -2.91 0 11 SER -0.35 0.70 1 13 VAL 1.19 0.26 1 14 GLU 1.19 0.93 1 16 ALA 0.63 0.42 1 17 ALA 1.51 0.34 1 18 PHE 1.29 0.93 1 19 GLN 0.70 -0.07 1 20 SER 0.22 -0.88 1 21 ARG 1.13 -0.55 1 22 LEU -0.70 -1.20 1 24 HIS 2.14 1.76 1 25 ASP -1.21 -1.24 1 26 ARG -3.50 -2.61 1 27 MET -0.73 1.44 1 28 THR -2.79 0.92 1 29 SER 5.20 3.01 1 30 GLN 4.01 2.80 1 31 GLU 3.47 2.04 1 32 ALA 3.80 1.36 1 33 ALA 2.34 2.02 1 35 PHE 1.28 -1.06 1 37 ASP 3.03 0.45 1 38 ILE 2.12 2.60 1 39 ILE 1.41 -1.08 1 40 SER -0.08 -0.07 1 43 GLN 4.94 2.56 1 44 GLN 5.45 2.01 1 45 THR 5.45 1.71 1 46 GLN 6.17 1.81 1 47 LYS 4.75 3.34 1 48 VAL 6.34 0.73 1 49 PHE 5.14 0.21 1 50 LEU 3.35 -0.03 1 51 PHE 4.51 2.57 1 52 ILE 4.98 2.60 1 53 ARG 5.70 0.34 1 54 ASN 4.34 2.89 1 55 ARG 3.30 1.19 1 56 THR 8.67 1.15 1 57 LEU 3.49 0.63 1 58 GLN 4.29 1.58 1 59 LEU 2.35 2.50 1 60 TRP 0.78 0.31 1 61 LEU 2.91 2.43 1 62 ASP 1.86 1.19 1 63 ASN 0.81 -2.18 1 65 LYS 0.09 -0.14 1 66 ILE -5.28 -3.09 1 67 GLN 0.97 -0.74 1 68 LEU -0.27 0.30 1 69 THR -2.38 1.42 1 70 PHE 3.46 0.19 1 71 GLU 6.05 2.27 1 72 ALA 2.24 2.58 1 73 THR 7.53 3.47 1 74 LEU 3.38 1.69 1 75 GLN 2.53 0.99 1 76 GLN -1.50 -0.99 1 77 LEU -2.78 -2.48 1 78 GLU -2.50 -0.57 1 79 ALA 1.89 0.99 1 81 TYR 4.21 -1.49 1 82 ASN 0.43 0.60 1 83 SER 2.90 -0.08 1 84 ASP -1.25 0.56 1 85 THR 5.76 1.98 1 86 VAL 5.72 2.16 1 87 LEU 4.81 1.35 1 88 VAL 6.84 1.08 1 89 HIS 4.50 4.46 1 90 ARG 1.98 4.60 1 91 VAL 6.98 0.36 1 92 HIS 5.49 2.63 1 93 SER 3.81 2.35 1 94 TYR 4.06 1.63 1 95 LEU 3.40 1.54 1 96 GLU 2.75 3.78 1 97 ARG 4.06 1.63 1 98 HIS 2.78 0.51 1 100 LEU -0.14 -1.63 1 101 ILE -6.44 -3.29 1 103 PHE -3.72 -0.73 1 105 ILE 0.37 -1.18 1 106 TYR -1.66 -1.34 1 107 LYS -0.39 -0.87 1 108 ARG 0.27 -0.03 1 109 ILE -0.24 -0.49 1 110 LYS -0.57 -0.67 1 112 LEU 0.11 -0.13 1 114 THR -0.20 -0.23 1 115 LYS -0.07 -0.23 1 116 LYS 0.10 0.18 1 117 THR 0.02 0.31 1 stop_ save_