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 bmr11388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.62 _LACS_plot.Line_1_terminator_val_y_1 -1.90 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.27 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 6.27 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 HIS -3.62 0.21 0 64 ARG 5.78 1.32 0 10 GLN 2.35 1.76 1 11 THR 3.65 2.99 1 12 ARG 3.72 2.72 1 13 VAL 4.68 3.61 1 14 LYS 4.35 3.35 1 15 LEU 3.71 2.71 1 16 ASN 3.41 2.89 1 17 PHE 4.13 3.97 1 18 LEU 3.52 2.39 1 19 ASP 2.97 3.24 1 20 GLN 4.32 3.45 1 21 ILE 4.45 2.68 1 22 ALA 4.64 3.55 1 23 LYS 3.89 2.72 1 24 TYR 4.54 3.75 1 25 TRP 4.68 3.38 1 26 GLU 3.23 2.92 1 27 LEU 3.53 2.37 1 28 GLN -0.01 -1.35 1 30 SER -3.51 -2.25 1 31 THR -0.49 0.12 1 32 LEU 0.19 0.41 1 33 LYS -1.74 -1.92 1 34 ILE 1.90 0.82 1 37 VAL -1.91 -0.46 1 38 GLU 3.01 1.05 1 39 ARG 4.93 1.81 1 40 LYS -3.26 -1.29 1 41 ILE 1.34 0.89 1 42 LEU -1.37 -0.48 1 43 ASP -0.37 -1.29 1 44 LEU 1.97 2.64 1 45 PHE 3.96 3.62 1 46 GLN 3.14 2.46 1 47 LEU 3.41 3.18 1 48 ASN 3.17 4.02 1 49 LYS 3.40 2.85 1 50 LEU 2.19 2.68 1 51 VAL 6.39 4.68 1 52 ALA 4.52 3.15 1 53 GLU 2.71 2.52 1 54 GLU -1.20 -1.12 1 57 PHE 4.08 4.68 1 58 ALA 4.51 3.24 1 59 VAL 5.39 4.15 1 60 VAL 7.00 4.72 1 62 LYS 4.21 3.53 1 63 ASP 1.26 0.12 1 65 LYS -0.74 -0.15 1 66 TRP 5.05 3.60 1 67 THR 7.01 4.99 1 68 LYS 4.08 3.36 1 69 ILE 5.58 4.13 1 70 ALA 3.86 3.41 1 71 THR 5.15 4.14 1 72 LYS 3.99 3.28 1 73 MET 0.56 1.62 1 75 PHE 0.18 0.12 1 76 ALA 0.53 0.12 1 79 LYS 2.20 1.77 1 80 ALA 1.59 0.95 1 81 VAL 5.08 3.51 1 83 SER 4.18 2.86 1 84 HIS 1.75 3.39 1 85 ILE 6.45 5.01 1 86 ARG 5.60 3.09 1 88 HIS 1.94 4.18 1 89 TYR 4.74 5.39 1 90 GLU 3.34 3.85 1 91 ARG 1.60 2.66 1 92 ILE 1.06 2.73 1 93 LEU 0.93 0.99 1 94 ASN 8.42 6.61 1 96 TYR 2.51 1.98 1 97 ASN 3.90 3.01 1 98 LEU 3.41 2.57 1 99 PHE 3.45 2.51 1 100 LEU 1.92 1.66 1 101 SER 1.25 1.26 1 103 ASP 0.18 0.78 1 104 SER 1.44 1.30 1 105 LEU 1.10 0.62 1 106 ARG 1.25 0.92 1 108 LEU 0.57 0.47 1 109 GLN -0.44 -0.24 1 110 LYS 0.20 0.10 1 112 ASN 0.16 0.05 1 113 LEU 0.30 0.20 1 114 THR -0.19 -0.06 1 115 SER 0.05 0.11 1 116 ASP 0.03 0.27 1 117 THR 0.29 0.19 1 118 LYS 0.53 0.31 1 119 ASP 0.45 0.47 1 120 LYS -0.24 -0.08 1 121 GLU -0.64 0.00 1 122 TYR 0.53 1.22 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.62 _LACS_plot.Line_1_terminator_val_y_1 1.72 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.73 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 -2.14 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 HIS -3.62 3.83 0 64 ARG 5.78 -4.46 0 10 GLN 2.35 -0.59 1 11 THR 3.65 -0.66 1 12 ARG 3.72 -1.00 1 13 VAL 4.68 -1.07 1 14 LYS 4.35 -1.00 1 15 LEU 3.71 -1.00 1 16 ASN 3.41 -0.52 1 17 PHE 4.13 -0.16 1 18 LEU 3.52 -1.13 1 19 ASP 2.97 0.27 1 20 GLN 4.32 -0.87 1 21 ILE 4.45 -1.77 1 22 ALA 4.64 -1.09 1 23 LYS 3.89 -1.17 1 24 TYR 4.54 -0.79 1 25 TRP 4.68 -1.30 1 26 GLU 3.23 -0.31 1 27 LEU 3.53 -1.16 1 28 GLN -0.01 -1.34 1 30 SER -3.51 1.26 1 31 THR -0.49 0.61 1 32 LEU 0.19 0.22 1 33 LYS -1.74 -0.18 1 34 ILE 1.90 -1.08 1 37 VAL -1.91 1.45 1 38 GLU 3.01 -1.96 1 39 ARG 4.93 -3.12 1 40 LYS -3.26 1.97 1 41 ILE 1.34 -0.45 1 42 LEU -1.37 0.89 1 43 ASP -0.37 -0.92 1 44 LEU 1.97 0.67 1 45 PHE 3.96 -0.34 1 46 GLN 3.14 -0.68 1 47 LEU 3.41 -0.23 1 48 ASN 3.17 0.85 1 49 LYS 3.40 -0.55 1 50 LEU 2.19 0.49 1 51 VAL 6.39 -1.71 1 52 ALA 4.52 -1.37 1 53 GLU 2.71 -0.19 1 54 GLU -1.20 0.08 1 57 PHE 4.08 0.60 1 58 ALA 4.51 -1.27 1 59 VAL 5.39 -1.24 1 60 VAL 7.00 -2.28 1 62 LYS 4.21 -0.68 1 63 ASP 1.26 -1.14 1 65 LYS -0.74 0.59 1 66 TRP 5.05 -1.45 1 67 THR 7.01 -2.02 1 68 LYS 4.08 -0.72 1 69 ILE 5.58 -1.45 1 70 ALA 3.86 -0.45 1 71 THR 5.15 -1.01 1 72 LYS 3.99 -0.71 1 73 MET 0.56 1.06 1 75 PHE 0.18 -0.06 1 76 ALA 0.53 -0.41 1 79 LYS 2.20 -0.43 1 80 ALA 1.59 -0.64 1 81 VAL 5.08 -1.57 1 83 SER 4.18 -1.32 1 84 HIS 1.75 1.64 1 85 ILE 6.45 -1.44 1 86 ARG 5.60 -2.51 1 88 HIS 1.94 2.24 1 89 TYR 4.74 0.65 1 90 GLU 3.34 0.51 1 91 ARG 1.60 1.06 1 92 ILE 1.06 1.67 1 93 LEU 0.93 0.06 1 94 ASN 8.42 -1.81 1 96 TYR 2.51 -0.53 1 97 ASN 3.90 -0.89 1 98 LEU 3.41 -0.84 1 99 PHE 3.45 -0.94 1 100 LEU 1.92 -0.26 1 101 SER 1.25 0.01 1 103 ASP 0.18 0.60 1 104 SER 1.44 -0.14 1 105 LEU 1.10 -0.48 1 106 ARG 1.25 -0.33 1 108 LEU 0.57 -0.10 1 109 GLN -0.44 0.20 1 110 LYS 0.20 -0.10 1 112 ASN 0.16 -0.11 1 113 LEU 0.30 -0.10 1 114 THR -0.19 0.13 1 115 SER 0.05 0.06 1 116 ASP 0.03 0.24 1 117 THR 0.29 -0.10 1 118 LYS 0.53 -0.22 1 119 ASP 0.45 0.02 1 120 LYS -0.24 0.16 1 121 GLU -0.64 0.64 1 122 TYR 0.53 0.69 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.62 _LACS_plot.Line_1_terminator_val_y_1 0.31 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.15 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _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 86 ARG 5.60 -2.14 0 10 GLN 2.35 -0.09 1 11 THR 3.65 -0.33 1 12 ARG 3.72 -0.27 1 13 VAL 4.68 -0.32 1 14 LYS 4.35 -0.99 1 15 LEU 3.71 -0.26 1 16 ASN 3.41 -0.17 1 17 PHE 4.13 -0.21 1 18 LEU 3.52 -0.43 1 19 ASP 2.97 -0.18 1 20 GLN 4.32 -0.34 1 21 ILE 4.45 -0.65 1 22 ALA 4.64 -0.12 1 23 LYS 3.89 -0.24 1 24 TYR 4.54 -0.73 1 25 TRP 4.68 -0.57 1 26 GLU 3.23 -0.13 1 27 LEU 3.53 -0.27 1 28 GLN -0.01 -0.17 1 30 SER -3.51 0.36 1 31 THR -0.49 -0.09 1 32 LEU 0.19 -0.36 1 33 LYS -1.74 0.18 1 34 ILE 1.90 -0.48 1 36 HIS -3.62 0.43 1 37 VAL -1.91 -0.04 1 38 GLU 3.01 -0.54 1 39 ARG 4.93 -0.53 1 40 LYS -3.26 0.38 1 41 ILE 1.34 -0.63 1 42 LEU -1.37 0.02 1 43 ASP -0.37 0.08 1 44 LEU 1.97 -0.27 1 45 PHE 3.96 -1.01 1 46 GLN 3.14 -0.54 1 47 LEU 3.41 -0.04 1 48 ASN 3.17 -0.13 1 49 LYS 3.40 -0.45 1 50 LEU 2.19 -0.31 1 51 VAL 6.39 -0.97 1 52 ALA 4.52 -0.34 1 53 GLU 2.71 -0.40 1 54 GLU -1.20 -0.15 1 57 PHE 4.08 -0.99 1 58 ALA 4.51 -0.43 1 59 VAL 5.39 -0.64 1 60 VAL 7.00 -1.18 1 62 LYS 4.21 -0.35 1 63 ASP 1.26 0.04 1 64 ARG 5.78 -0.22 1 65 LYS -0.74 0.32 1 66 TRP 5.05 -0.61 1 67 THR 7.01 -0.33 1 68 LYS 4.08 -0.28 1 69 ILE 5.58 -0.67 1 70 ALA 3.86 -0.23 1 71 THR 5.15 0.09 1 72 LYS 3.99 -0.19 1 73 MET 0.56 -0.25 1 75 PHE 0.18 0.03 1 76 ALA 0.53 -0.07 1 79 LYS 2.20 -0.16 1 80 ALA 1.59 -0.04 1 81 VAL 5.08 -0.35 1 83 SER 4.18 -0.53 1 84 HIS 1.75 -0.39 1 85 ILE 6.45 -0.44 1 88 HIS 1.94 -0.02 1 89 TYR 4.74 -0.70 1 90 GLU 3.34 -0.76 1 91 ARG 1.60 -0.08 1 92 ILE 1.06 0.01 1 93 LEU 0.93 0.18 1 94 ASN 8.42 -0.45 1 96 TYR 2.51 -1.46 1 97 ASN 3.90 -0.55 1 98 LEU 3.41 -0.25 1 99 PHE 3.45 -0.32 1 100 LEU 1.92 -0.72 1 101 SER 1.25 -0.17 1 103 ASP 0.18 -0.06 1 104 SER 1.44 -0.15 1 105 LEU 1.10 0.00 1 106 ARG 1.25 -0.07 1 108 LEU 0.57 0.01 1 109 GLN -0.44 0.01 1 110 LYS 0.20 -0.02 1 112 ASN 0.16 -0.03 1 113 LEU 0.30 0.10 1 114 THR -0.19 0.06 1 115 SER 0.05 0.01 1 116 ASP 0.03 0.06 1 117 THR 0.29 -0.04 1 118 LYS 0.53 0.00 1 119 ASP 0.45 -0.09 1 120 LYS -0.24 -0.04 1 121 GLU -0.64 -0.12 1 122 TYR 0.53 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.62 _LACS_plot.Line_1_terminator_val_y_1 -2.30 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 -1.20 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 3.10 _LACS_plot.Y_axis_chem_shift_offset 0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 HIS -3.62 1.75 0 85 ILE 6.45 -1.87 0 10 GLN 2.35 1.46 1 11 THR 3.65 2.86 1 12 ARG 3.72 1.68 1 13 VAL 4.68 2.00 1 14 LYS 4.35 1.25 1 19 ASP 2.97 1.54 1 20 GLN 4.32 3.64 1 23 LYS 3.89 1.87 1 24 TYR 4.54 1.42 1 25 TRP 4.68 2.68 1 26 GLU 3.23 4.74 1 27 LEU 3.53 1.02 1 28 GLN -0.01 0.64 1 30 SER -3.51 -1.97 1 31 THR -0.49 -0.70 1 32 LEU 0.19 -2.57 1 33 LYS -1.74 -1.45 1 34 ILE 1.90 -0.29 1 37 VAL -1.91 -1.55 1 38 GLU 3.01 -1.03 1 39 ARG 4.93 -1.03 1 40 LYS -3.26 -1.21 1 41 ILE 1.34 -0.24 1 42 LEU -1.37 -2.88 1 43 ASP -0.37 -0.68 1 45 PHE 3.96 1.02 1 46 GLN 3.14 1.75 1 47 LEU 3.41 -0.30 1 48 ASN 3.17 3.19 1 49 LYS 3.40 2.09 1 50 LEU 2.19 1.75 1 51 VAL 6.39 1.69 1 52 ALA 4.52 4.11 1 53 GLU 2.71 1.79 1 54 GLU -1.20 -1.14 1 57 PHE 4.08 0.50 1 58 ALA 4.51 3.10 1 59 VAL 5.39 0.79 1 60 VAL 7.00 2.23 1 67 THR 7.01 1.33 1 68 LYS 4.08 2.45 1 69 ILE 5.58 0.63 1 70 ALA 3.86 2.06 1 71 THR 5.15 4.73 1 72 LYS 3.99 1.74 1 73 MET 0.56 -0.72 1 75 PHE 0.18 -0.41 1 76 ALA 0.53 0.46 1 80 ALA 1.59 0.71 1 81 VAL 5.08 0.99 1 83 SER 4.18 2.83 1 84 HIS 1.75 4.56 1 86 ARG 5.60 1.80 1 88 HIS 1.94 4.27 1 89 TYR 4.74 2.74 1 90 GLU 3.34 0.89 1 91 ARG 1.60 1.28 1 96 TYR 2.51 -0.07 1 97 ASN 3.90 4.00 1 98 LEU 3.41 1.91 1 99 PHE 3.45 2.39 1 100 LEU 1.92 1.34 1 101 SER 1.25 0.65 1 103 ASP 0.18 0.52 1 104 SER 1.44 0.43 1 105 LEU 1.10 0.26 1 106 ARG 1.25 0.25 1 108 LEU 0.57 -0.47 1 109 GLN -0.44 -0.49 1 110 LYS 0.20 -0.34 1 112 ASN 0.16 -0.13 1 113 LEU 0.30 -0.05 1 114 THR -0.19 -0.16 1 115 SER 0.05 -0.39 1 116 ASP 0.03 0.13 1 117 THR 0.29 0.01 1 118 LYS 0.53 -0.31 1 119 ASP 0.45 -0.40 1 120 LYS -0.24 -0.57 1 121 GLU -0.64 -1.54 1 122 TYR 0.53 4.32 1 stop_ save_