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 bmr30126_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.20 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.24 _LACS_plot.Line_2_terminator_val_x_2 6.54 _LACS_plot.Line_2_terminator_val_y_2 5.41 _LACS_plot.Y_axis_chem_shift_offset -0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 ILE -0.37 -2.31 0 10 ALA 0.14 0.64 1 11 THR -0.21 0.13 1 14 GLN -1.17 0.05 1 15 PHE 0.87 0.66 1 16 VAL -2.31 -0.89 1 17 SER 0.36 0.78 1 19 VAL -0.65 -0.89 1 21 VAL -4.34 -1.47 1 22 LYS -3.59 -1.06 1 23 ILE -1.17 -0.14 1 24 ILE -3.48 -0.19 1 25 SER -4.24 -3.03 1 26 THR 2.56 1.97 1 27 GLU -1.93 -0.31 1 29 LEU 1.02 1.01 1 32 ARG 5.12 5.13 1 33 LYS 4.29 3.64 1 34 GLN 5.39 4.31 1 35 VAL 6.55 5.72 1 36 ARG 6.47 5.30 1 37 ASP 5.00 3.84 1 38 THR 6.17 5.73 1 39 LEU 3.01 2.87 1 40 ALA 1.37 1.10 1 41 ALA 1.36 1.29 1 42 ILE 0.84 1.64 1 43 SER -1.85 -0.52 1 44 GLU 1.33 0.69 1 45 VAL -2.20 -1.52 1 46 LEU 0.05 1.10 1 47 TYR -2.77 0.29 1 48 VAL -0.67 0.12 1 49 ASP -2.43 -1.37 1 50 LEU -4.59 -0.15 1 51 LEU -0.74 -0.76 1 52 GLU 3.26 2.73 1 54 ASP -1.30 0.14 1 55 THR 0.75 0.22 1 56 GLU -7.16 -2.84 1 58 HIS -2.45 1.19 1 59 ALA -6.16 -2.28 1 60 ARG -3.71 -1.30 1 61 PHE -2.45 0.62 1 62 LYS 3.05 4.10 1 63 THR -2.58 -0.87 1 65 GLU 5.98 4.64 1 66 ASP 2.04 3.97 1 67 ALA 3.32 2.70 1 68 GLN 3.61 2.56 1 69 ALA 3.77 2.96 1 70 VAL 6.04 4.67 1 71 ILE 5.36 2.47 1 72 ASN 3.54 2.37 1 73 ALA 0.35 0.26 1 74 TYR 3.84 4.38 1 75 THR 5.20 4.38 1 76 GLU 2.35 2.27 1 77 ILE 3.74 3.71 1 78 ASN 1.54 1.67 1 79 LYS 2.54 2.53 1 80 LYS -1.03 0.38 1 81 HIS -1.62 -0.09 1 83 TRP -7.20 -3.60 1 84 LYS -1.76 -0.23 1 85 LEU -4.08 -0.29 1 86 GLU -5.55 -1.21 1 87 ILE -0.37 -0.20 1 88 LEU -0.08 1.00 1 89 SER -4.02 -1.07 1 91 ASP 3.24 3.21 1 92 HIS 2.75 4.62 1 93 GLU 2.83 3.21 1 94 GLN 5.02 4.07 1 95 ARG 3.93 3.69 1 96 TYR 4.87 5.02 1 97 TRP 4.41 3.89 1 98 GLN 4.40 3.51 1 99 LYS 3.69 2.92 1 100 ILE 3.19 2.55 1 101 LEU 1.90 1.73 1 102 VAL 2.64 2.33 1 103 ASP 1.41 1.55 1 104 ARG 1.97 1.66 1 105 GLN 1.41 1.29 1 106 ALA 1.08 1.20 1 107 LYS 0.74 0.76 1 108 LEU 0.41 0.66 1 109 ASN 0.08 0.35 1 110 GLN 0.21 0.70 1 112 ARG 0.38 0.58 1 113 GLU -0.80 0.07 1 114 LYS -0.03 0.28 1 115 LYS 0.28 0.50 1 116 ARG 0.35 0.74 1 118 THR 0.21 0.38 1 119 GLU -0.12 0.52 1 120 LYS 0.14 0.39 1 121 LEU 0.06 0.33 1 122 ILE -0.08 0.08 1 123 THR -0.08 0.22 1 124 LYS -0.03 0.39 1 125 ALA 0.14 0.71 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30126_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.20 _LACS_plot.Line_1_terminator_val_y_1 4.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.72 _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 6.54 _LACS_plot.Line_2_terminator_val_y_2 -1.13 _LACS_plot.Y_axis_chem_shift_offset -0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 ILE -0.37 -1.94 0 10 ALA 0.14 0.50 1 11 THR -0.21 0.34 1 14 GLN -1.17 1.22 1 15 PHE 0.87 -0.21 1 16 VAL -2.31 1.42 1 17 SER 0.36 0.42 1 19 VAL -0.65 -0.24 1 21 VAL -4.34 2.87 1 22 LYS -3.59 2.53 1 23 ILE -1.17 1.03 1 24 ILE -3.48 3.29 1 25 SER -4.24 1.21 1 26 THR 2.56 -0.59 1 27 GLU -1.93 1.62 1 29 LEU 1.02 -0.01 1 32 ARG 5.12 0.01 1 33 LYS 4.29 -0.65 1 34 GLN 5.39 -1.08 1 35 VAL 6.55 -0.83 1 36 ARG 6.47 -1.17 1 37 ASP 5.00 -1.16 1 38 THR 6.17 -0.44 1 39 LEU 3.01 -0.14 1 40 ALA 1.37 -0.27 1 41 ALA 1.36 -0.07 1 42 ILE 0.84 0.80 1 43 SER -1.85 1.33 1 44 GLU 1.33 -0.64 1 45 VAL -2.20 0.68 1 46 LEU 0.05 1.05 1 47 TYR -2.77 3.06 1 48 VAL -0.67 0.79 1 49 ASP -2.43 1.06 1 50 LEU -4.59 4.44 1 51 LEU -0.74 -0.02 1 52 GLU 3.26 -0.53 1 54 ASP -1.30 1.44 1 55 THR 0.75 -0.53 1 56 GLU -7.16 4.32 1 58 HIS -2.45 3.64 1 59 ALA -6.16 3.88 1 60 ARG -3.71 2.41 1 61 PHE -2.45 3.07 1 62 LYS 3.05 1.05 1 63 THR -2.58 1.71 1 65 GLU 5.98 -1.34 1 66 ASP 2.04 1.93 1 67 ALA 3.32 -0.62 1 68 GLN 3.61 -1.05 1 69 ALA 3.77 -0.81 1 70 VAL 6.04 -1.37 1 71 ILE 5.36 -2.89 1 72 ASN 3.54 -1.17 1 73 ALA 0.35 -0.09 1 74 TYR 3.84 0.54 1 75 THR 5.20 -0.82 1 76 GLU 2.35 -0.08 1 77 ILE 3.74 -0.03 1 78 ASN 1.54 0.13 1 79 LYS 2.54 -0.01 1 80 LYS -1.03 1.41 1 81 HIS -1.62 1.53 1 83 TRP -7.20 3.60 1 84 LYS -1.76 1.53 1 85 LEU -4.08 3.79 1 86 GLU -5.55 4.34 1 87 ILE -0.37 0.17 1 88 LEU -0.08 1.08 1 89 SER -4.02 2.95 1 91 ASP 3.24 -0.03 1 92 HIS 2.75 1.87 1 93 GLU 2.83 0.38 1 94 GLN 5.02 -0.95 1 95 ARG 3.93 -0.24 1 96 TYR 4.87 0.15 1 97 TRP 4.41 -0.52 1 98 GLN 4.40 -0.89 1 99 LYS 3.69 -0.77 1 100 ILE 3.19 -0.64 1 101 LEU 1.90 -0.17 1 102 VAL 2.64 -0.31 1 103 ASP 1.41 0.14 1 104 ARG 1.97 -0.31 1 105 GLN 1.41 -0.12 1 106 ALA 1.08 0.12 1 107 LYS 0.74 0.02 1 108 LEU 0.41 0.25 1 109 ASN 0.08 0.27 1 110 GLN 0.21 0.49 1 112 ARG 0.38 0.20 1 113 GLU -0.80 0.87 1 114 LYS -0.03 0.31 1 115 LYS 0.28 0.22 1 116 ARG 0.35 0.39 1 118 THR 0.21 0.17 1 119 GLU -0.12 0.64 1 120 LYS 0.14 0.25 1 121 LEU 0.06 0.27 1 122 ILE -0.08 0.16 1 123 THR -0.08 0.30 1 124 LYS -0.03 0.42 1 125 ALA 0.14 0.57 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30126_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.20 _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 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 6.54 _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 15 PHE 0.87 -1.56 0 10 ALA 0.14 0.06 1 11 THR -0.21 0.06 1 14 GLN -1.17 -0.03 1 16 VAL -2.31 -0.37 1 17 SER 0.36 -0.12 1 19 VAL -0.65 0.59 1 20 ILE -0.37 1.05 1 21 VAL -4.34 0.67 1 22 LYS -3.59 0.30 1 23 ILE -1.17 0.43 1 24 ILE -3.48 0.52 1 25 SER -4.24 0.99 1 26 THR 2.56 0.03 1 27 GLU -1.93 0.23 1 29 LEU 1.02 -0.25 1 32 ARG 5.12 -0.71 1 33 LYS 4.29 -0.36 1 34 GLN 5.39 -0.15 1 35 VAL 6.55 -0.43 1 36 ARG 6.47 -0.74 1 37 ASP 5.00 -0.29 1 38 THR 6.17 -0.34 1 39 LEU 3.01 -0.08 1 40 ALA 1.37 0.73 1 41 ALA 1.36 -0.04 1 42 ILE 0.84 -0.12 1 43 SER -1.85 0.32 1 44 GLU 1.33 0.08 1 45 VAL -2.20 -0.48 1 46 LEU 0.05 0.13 1 47 TYR -2.77 0.03 1 48 VAL -0.67 0.09 1 49 ASP -2.43 0.09 1 50 LEU -4.59 0.34 1 51 LEU -0.74 0.26 1 52 GLU 3.26 -0.42 1 54 ASP -1.30 0.19 1 55 THR 0.75 -0.13 1 56 GLU -7.16 1.15 1 58 HIS -2.45 0.79 1 59 ALA -6.16 0.81 1 60 ARG -3.71 0.97 1 61 PHE -2.45 0.11 1 62 LYS 3.05 -0.21 1 63 THR -2.58 0.42 1 65 GLU 5.98 -0.36 1 66 ASP 2.04 -0.15 1 67 ALA 3.32 -1.61 1 68 GLN 3.61 -0.60 1 69 ALA 3.77 -0.19 1 70 VAL 6.04 -0.34 1 71 ILE 5.36 -0.40 1 72 ASN 3.54 -0.10 1 73 ALA 0.35 0.39 1 74 TYR 3.84 -0.40 1 75 THR 5.20 -0.10 1 76 GLU 2.35 -0.14 1 77 ILE 3.74 -0.41 1 78 ASN 1.54 0.23 1 79 LYS 2.54 -0.17 1 80 LYS -1.03 -0.12 1 81 HIS -1.62 -0.20 1 83 TRP -7.20 0.95 1 84 LYS -1.76 0.49 1 85 LEU -4.08 1.12 1 86 GLU -5.55 0.23 1 87 ILE -0.37 0.57 1 88 LEU -0.08 0.16 1 89 SER -4.02 0.39 1 91 ASP 3.24 -0.18 1 92 HIS 2.75 -0.28 1 93 GLU 2.83 -0.26 1 94 GLN 5.02 -0.30 1 95 ARG 3.93 -0.28 1 96 TYR 4.87 -0.59 1 97 TRP 4.41 -0.62 1 98 GLN 4.40 -0.28 1 99 LYS 3.69 -0.29 1 100 ILE 3.19 -0.38 1 101 LEU 1.90 -0.10 1 102 VAL 2.64 -0.16 1 103 ASP 1.41 -0.07 1 104 ARG 1.97 -0.13 1 105 GLN 1.41 -0.13 1 106 ALA 1.08 -0.07 1 107 LYS 0.74 -0.06 1 108 LEU 0.41 -0.02 1 109 ASN 0.08 0.07 1 110 GLN 0.21 -0.01 1 112 ARG 0.38 -0.01 1 113 GLU -0.80 -0.04 1 114 LYS -0.03 0.05 1 115 LYS 0.28 -0.06 1 116 ARG 0.35 0.05 1 118 THR 0.21 0.01 1 119 GLU -0.12 -0.04 1 120 LYS 0.14 0.01 1 121 LEU 0.06 0.07 1 122 ILE -0.08 0.12 1 123 THR -0.08 0.02 1 124 LYS -0.03 0.03 1 125 ALA 0.14 0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30126_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.16 _LACS_plot.Line_1_terminator_val_y_1 -3.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.59 _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 6.54 _LACS_plot.Line_2_terminator_val_y_2 2.37 _LACS_plot.Y_axis_chem_shift_offset 0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 HIS 2.75 4.92 0 10 ALA 0.14 -0.11 1 11 THR -0.21 -0.05 1 14 GLN -1.17 -1.48 1 15 PHE 0.87 -1.89 1 16 VAL -2.31 -2.38 1 17 SER 0.36 1.54 1 19 VAL -0.65 -1.58 1 20 ILE -0.37 -1.02 1 21 VAL -4.34 -1.81 1 22 LYS -3.59 -2.15 1 23 ILE -1.17 -2.12 1 24 ILE -3.48 -1.24 1 25 SER -4.24 -0.30 1 26 THR 2.56 -0.10 1 27 GLU -1.93 1.59 1 29 LEU 1.02 0.38 1 32 ARG 5.12 1.32 1 33 LYS 4.29 0.74 1 34 GLN 5.39 3.91 1 35 VAL 6.55 0.76 1 36 ARG 6.47 1.38 1 37 ASP 5.00 3.09 1 38 THR 6.17 1.18 1 39 LEU 3.01 0.58 1 40 ALA 1.37 0.76 1 41 ALA 1.36 -0.40 1 42 ILE 0.84 -0.77 1 43 SER -1.85 -2.45 1 44 GLU 1.33 -2.00 1 45 VAL -2.20 -1.99 1 46 LEU 0.05 -0.39 1 47 TYR -2.77 -3.01 1 48 VAL -0.67 -3.86 1 49 ASP -2.43 -2.30 1 50 LEU -4.59 -3.54 1 51 LEU -0.74 -1.92 1 52 GLU 3.26 0.90 1 54 ASP -1.30 0.47 1 55 THR 0.75 -2.66 1 56 GLU -7.16 -2.00 1 58 HIS -2.45 -0.58 1 59 ALA -6.16 -4.38 1 60 ARG -3.71 -1.53 1 61 PHE -2.45 -1.31 1 62 LYS 3.05 -0.27 1 65 GLU 5.98 2.90 1 66 ASP 2.04 1.94 1 67 ALA 3.32 0.96 1 68 GLN 3.61 1.52 1 69 ALA 3.77 2.55 1 70 VAL 6.04 0.45 1 71 ILE 5.36 3.78 1 72 ASN 3.54 1.04 1 73 ALA 0.35 -0.51 1 74 TYR 3.84 0.91 1 75 THR 5.20 1.18 1 76 GLU 2.35 2.49 1 78 ASN 1.54 0.48 1 79 LYS 2.54 0.46 1 85 LEU -4.08 -1.56 1 86 GLU -5.55 -2.41 1 87 ILE -0.37 0.76 1 88 LEU -0.08 -1.22 1 89 SER -4.02 0.37 1 93 GLU 2.83 0.38 1 94 GLN 5.02 2.69 1 95 ARG 3.93 2.47 1 96 TYR 4.87 1.48 1 97 TRP 4.41 2.10 1 98 GLN 4.40 1.73 1 99 LYS 3.69 1.36 1 100 ILE 3.19 1.45 1 101 LEU 1.90 0.77 1 102 VAL 2.64 0.72 1 103 ASP 1.41 1.06 1 104 ARG 1.97 1.03 1 105 GLN 1.41 0.50 1 106 ALA 1.08 0.54 1 107 LYS 0.74 0.37 1 108 LEU 0.41 -0.45 1 109 ASN 0.08 -0.61 1 110 GLN 0.21 -0.68 1 112 ARG 0.38 -0.05 1 113 GLU -0.80 -0.37 1 114 LYS -0.03 -0.27 1 115 LYS 0.28 -0.18 1 116 ARG 0.35 0.47 1 118 THR 0.21 0.02 1 119 GLU -0.12 -0.36 1 120 LYS 0.14 -0.51 1 121 LEU 0.06 -0.69 1 122 ILE -0.08 -0.17 1 stop_ save_