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 bmr19579_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.55 _LACS_plot.Line_1_terminator_val_y_1 -1.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.42 _LACS_plot.Line_2_terminator_val_x_2 9.29 _LACS_plot.Line_2_terminator_val_y_2 7.11 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 HIS 3.57 6.32 0 11 TYR 0.31 0.27 1 13 TYR 0.49 0.43 1 15 THR -0.05 0.03 1 16 SER -0.05 0.06 1 17 ALA 0.28 0.27 1 18 ALA -0.11 0.08 1 19 ALA 0.07 0.25 1 21 ALA -0.01 0.21 1 23 VAL 0.22 0.08 1 24 ALA -0.24 -0.04 1 25 ALA 0.03 0.25 1 27 SER 0.28 0.39 1 28 TYR 0.76 -0.18 1 29 ALA 3.45 2.89 1 31 ALA 2.16 2.04 1 32 VAL 4.17 3.36 1 33 ASN 3.57 2.99 1 34 ARG 3.46 2.70 1 35 LEU 3.56 2.12 1 36 SER -0.11 -0.62 1 37 SER -2.54 -0.27 1 38 ALA 3.31 2.24 1 39 GLU 4.86 3.77 1 40 ALA 2.74 2.92 1 41 ALA 5.11 3.04 1 42 SER 4.48 3.33 1 43 ARG 3.75 4.66 1 44 VAL 7.32 5.99 1 45 SER 5.49 4.64 1 46 SER 2.77 2.53 1 47 ASN -1.11 2.26 1 48 ILE 5.52 4.13 1 49 ALA 4.50 2.89 1 50 ALA 2.73 2.25 1 51 ILE 3.32 2.18 1 52 ALA 3.01 2.89 1 53 SER 1.64 1.68 1 56 ALA 3.38 2.56 1 57 SER 3.33 2.51 1 58 ALA -1.22 -0.37 1 59 LEU 9.29 7.21 1 61 SER 4.00 2.93 1 62 VAL 5.39 4.26 1 63 ILE 5.43 3.98 1 64 SER 4.14 3.29 1 65 ASN 3.52 3.62 1 66 ILE 5.25 5.46 1 67 TYR 5.00 5.18 1 68 SER 4.97 3.73 1 70 VAL 5.99 4.80 1 71 VAL 5.17 4.02 1 72 ALA 3.01 1.92 1 73 SER 1.19 1.33 1 75 VAL 0.56 0.08 1 76 SER -0.69 0.14 1 77 SER 4.47 3.29 1 78 ASN 3.86 2.96 1 79 GLU -0.03 1.43 1 80 ALA 3.19 2.73 1 81 LEU 4.54 2.91 1 82 ILE 5.22 3.16 1 83 GLN 5.84 4.62 1 84 ALA 3.61 2.33 1 85 LEU 3.69 2.91 1 86 LEU 2.74 2.88 1 87 GLU 4.82 4.70 1 88 LEU 3.83 3.06 1 89 LEU 3.76 3.56 1 90 SER 5.51 4.66 1 91 ALA 4.63 2.87 1 92 LEU 3.06 3.25 1 93 VAL 5.92 4.47 1 95 VAL 5.93 4.63 1 96 LEU 3.12 2.66 1 97 SER 3.66 3.11 1 98 SER -1.10 -0.33 1 99 ALA -3.55 -1.03 1 100 SER -0.46 -0.96 1 101 ILE 0.45 0.26 1 103 ASN 0.57 0.33 1 104 VAL -1.34 -0.83 1 105 SER -2.71 -1.61 1 106 SER 1.40 0.70 1 107 VAL 3.80 2.38 1 109 VAL 5.32 3.69 1 110 ASP 4.96 2.51 1 111 SER 4.54 3.22 1 112 THR 7.77 4.85 1 113 LEU 5.44 4.07 1 114 ASN 3.32 3.40 1 115 VAL 5.38 4.04 1 116 VAL 7.77 5.98 1 117 GLN 3.87 4.61 1 118 ASP 2.64 2.83 1 119 SER 3.86 3.68 1 120 VAL 1.59 1.06 1 122 GLN 2.27 1.36 1 123 TYR 0.56 0.75 1 124 VAL 0.04 -0.24 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19579_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.55 _LACS_plot.Line_1_terminator_val_y_1 2.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.58 _LACS_plot.Line_2_terminator_val_x_2 9.29 _LACS_plot.Line_2_terminator_val_y_2 -2.18 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 HIS 3.57 2.75 0 11 TYR 0.31 -0.04 1 13 TYR 0.49 -0.06 1 15 THR -0.05 0.08 1 16 SER -0.05 0.11 1 17 ALA 0.28 -0.01 1 18 ALA -0.11 0.19 1 19 ALA 0.07 0.18 1 21 ALA -0.01 0.22 1 23 VAL 0.22 -0.14 1 24 ALA -0.24 0.20 1 25 ALA 0.03 0.22 1 27 SER 0.28 0.11 1 28 TYR 0.76 -0.94 1 29 ALA 3.45 -0.56 1 31 ALA 2.16 -0.12 1 32 VAL 4.17 -0.81 1 33 ASN 3.57 -0.58 1 34 ARG 3.46 -0.76 1 35 LEU 3.56 -1.44 1 36 SER -0.11 -0.51 1 37 SER -2.54 2.27 1 38 ALA 3.31 -1.07 1 39 GLU 4.86 -1.09 1 40 ALA 2.74 0.18 1 41 ALA 5.11 -2.07 1 42 SER 4.48 -1.15 1 43 ARG 3.75 0.91 1 44 VAL 7.32 -1.33 1 45 SER 5.49 -0.85 1 46 SER 2.77 -0.24 1 47 ASN -1.11 3.37 1 48 ILE 5.52 -1.39 1 49 ALA 4.50 -1.61 1 50 ALA 2.73 -0.48 1 51 ILE 3.32 -1.14 1 52 ALA 3.01 -0.12 1 53 SER 1.64 0.04 1 56 ALA 3.38 -0.82 1 57 SER 3.33 -0.82 1 58 ALA -1.22 0.85 1 59 LEU 9.29 -2.08 1 61 SER 4.00 -1.07 1 62 VAL 5.39 -1.13 1 63 ILE 5.43 -1.45 1 64 SER 4.14 -0.85 1 65 ASN 3.52 0.10 1 66 ILE 5.25 0.21 1 67 TYR 5.00 0.18 1 68 SER 4.97 -1.24 1 70 VAL 5.99 -1.19 1 71 VAL 5.17 -1.15 1 72 ALA 3.01 -1.09 1 73 SER 1.19 0.14 1 75 VAL 0.56 -0.48 1 76 SER -0.69 0.83 1 77 SER 4.47 -1.18 1 78 ASN 3.86 -0.90 1 79 GLU -0.03 1.46 1 80 ALA 3.19 -0.46 1 81 LEU 4.54 -1.63 1 82 ILE 5.22 -2.06 1 83 GLN 5.84 -1.22 1 84 ALA 3.61 -1.28 1 85 LEU 3.69 -0.78 1 86 LEU 2.74 0.14 1 87 GLU 4.82 -0.12 1 88 LEU 3.83 -0.77 1 89 LEU 3.76 -0.20 1 90 SER 5.51 -0.85 1 91 ALA 4.63 -1.76 1 92 LEU 3.06 0.19 1 93 VAL 5.92 -1.45 1 95 VAL 5.93 -1.30 1 96 LEU 3.12 -0.46 1 97 SER 3.66 -0.55 1 98 SER -1.10 0.77 1 99 ALA -3.55 2.52 1 100 SER -0.46 -0.50 1 101 ILE 0.45 -0.19 1 103 ASN 0.57 -0.24 1 104 VAL -1.34 0.51 1 105 SER -2.71 1.10 1 106 SER 1.40 -0.70 1 107 VAL 3.80 -1.42 1 109 VAL 5.32 -1.63 1 110 ASP 4.96 -2.45 1 111 SER 4.54 -1.32 1 112 THR 7.77 -2.92 1 113 LEU 5.44 -1.37 1 114 ASN 3.32 0.08 1 115 VAL 5.38 -1.34 1 116 VAL 7.77 -1.79 1 117 GLN 3.87 0.74 1 118 ASP 2.64 0.19 1 119 SER 3.86 -0.18 1 120 VAL 1.59 -0.53 1 122 GLN 2.27 -0.91 1 123 TYR 0.56 0.19 1 124 VAL 0.04 -0.28 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19579_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.55 _LACS_plot.Line_1_terminator_val_y_1 0.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 9.29 _LACS_plot.Line_2_terminator_val_y_2 -0.88 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 112 THR 7.77 0.02 0 11 TYR 0.31 -0.09 1 13 TYR 0.49 -0.07 1 15 THR -0.05 0.02 1 16 SER -0.05 -0.06 1 17 ALA 0.28 -0.08 1 18 ALA -0.11 -0.10 1 19 ALA 0.07 -0.06 1 21 ALA -0.01 -0.02 1 23 VAL 0.22 -0.05 1 24 ALA -0.24 -0.03 1 25 ALA 0.03 -0.04 1 27 SER 0.28 -0.10 1 28 TYR 0.76 0.22 1 29 ALA 3.45 -0.44 1 31 ALA 2.16 -0.29 1 32 VAL 4.17 -0.66 1 33 ASN 3.57 -0.38 1 34 ARG 3.46 -0.22 1 35 LEU 3.56 -0.39 1 36 SER -0.11 0.05 1 37 SER -2.54 -0.09 1 38 ALA 3.31 -0.22 1 39 GLU 4.86 -0.41 1 40 ALA 2.74 -0.27 1 41 ALA 5.11 -0.57 1 42 SER 4.48 -0.30 1 43 ARG 3.75 -0.34 1 44 VAL 7.32 -0.79 1 45 SER 5.49 -0.39 1 46 SER 2.77 -0.14 1 47 ASN -1.11 0.22 1 48 ILE 5.52 -0.50 1 49 ALA 4.50 -0.28 1 50 ALA 2.73 -0.27 1 51 ILE 3.32 -0.54 1 52 ALA 3.01 -0.38 1 53 SER 1.64 -0.12 1 56 ALA 3.38 -0.50 1 57 SER 3.33 -0.25 1 58 ALA -1.22 0.08 1 59 LEU 9.29 -0.80 1 61 SER 4.00 -0.24 1 62 VAL 5.39 -0.38 1 63 ILE 5.43 -0.49 1 64 SER 4.14 -0.17 1 65 ASN 3.52 -0.38 1 66 ILE 5.25 -0.65 1 67 TYR 5.00 -0.93 1 68 SER 4.97 -0.43 1 70 VAL 5.99 -0.88 1 71 VAL 5.17 -0.40 1 72 ALA 3.01 -0.16 1 73 SER 1.19 -0.03 1 75 VAL 0.56 -0.21 1 76 SER -0.69 -0.08 1 77 SER 4.47 -0.39 1 78 ASN 3.86 -0.08 1 79 GLU -0.03 -0.24 1 80 ALA 3.19 -0.63 1 81 LEU 4.54 -0.23 1 82 ILE 5.22 -0.72 1 83 GLN 5.84 -0.71 1 84 ALA 3.61 -0.45 1 85 LEU 3.69 -0.44 1 86 LEU 2.74 -0.37 1 87 GLU 4.82 -0.72 1 88 LEU 3.83 -0.52 1 89 LEU 3.76 -0.55 1 90 SER 5.51 -0.26 1 91 ALA 4.63 -0.55 1 92 LEU 3.06 -0.52 1 93 VAL 5.92 -0.72 1 94 HIS 3.57 -0.69 1 95 VAL 5.93 -0.55 1 96 LEU 3.12 -0.51 1 97 SER 3.66 -0.17 1 98 SER -1.10 0.23 1 99 ALA -3.55 0.31 1 100 SER -0.46 0.29 1 101 ILE 0.45 -0.18 1 103 ASN 0.57 -0.09 1 104 VAL -1.34 0.05 1 105 SER -2.71 0.29 1 106 SER 1.40 -0.34 1 107 VAL 3.80 -0.30 1 109 VAL 5.32 -0.77 1 110 ASP 4.96 -0.49 1 111 SER 4.54 -0.16 1 113 LEU 5.44 -0.42 1 114 ASN 3.32 -0.25 1 115 VAL 5.38 -0.24 1 116 VAL 7.77 -0.76 1 117 GLN 3.87 -0.74 1 118 ASP 2.64 -0.29 1 119 SER 3.86 -0.16 1 120 VAL 1.59 0.09 1 122 GLN 2.27 -0.29 1 123 TYR 0.56 -0.32 1 124 VAL 0.04 0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19579_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.55 _LACS_plot.Line_1_terminator_val_y_1 -1.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.61 _LACS_plot.Line_2_terminator_val_x_2 9.29 _LACS_plot.Line_2_terminator_val_y_2 3.04 _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 59 LEU 9.29 -1.27 0 11 TYR 0.31 0.33 1 13 TYR 0.49 0.52 1 15 THR -0.05 0.02 1 16 SER -0.05 -0.26 1 17 ALA 0.28 -0.33 1 18 ALA -0.11 0.41 1 19 ALA 0.07 0.43 1 21 ALA -0.01 0.31 1 23 VAL 0.22 -0.35 1 24 ALA -0.24 -0.50 1 25 ALA 0.03 0.29 1 27 SER 0.28 0.73 1 28 TYR 0.76 -0.01 1 29 ALA 3.45 1.57 1 31 ALA 2.16 -0.31 1 32 VAL 4.17 3.07 1 33 ASN 3.57 2.47 1 34 ARG 3.46 1.16 1 35 LEU 3.56 -2.63 1 36 SER -0.11 0.07 1 37 SER -2.54 0.08 1 38 ALA 3.31 3.02 1 39 GLU 4.86 1.96 1 40 ALA 2.74 1.30 1 41 ALA 5.11 2.95 1 42 SER 4.48 2.61 1 43 ARG 3.75 3.26 1 44 VAL 7.32 2.20 1 45 SER 5.49 1.74 1 46 SER 2.77 -0.21 1 47 ASN -1.11 -0.52 1 48 ILE 5.52 0.37 1 49 ALA 4.50 2.50 1 50 ALA 2.73 2.79 1 51 ILE 3.32 1.21 1 52 ALA 3.01 0.74 1 53 SER 1.64 1.46 1 56 ALA 3.38 1.90 1 57 SER 3.33 0.38 1 58 ALA -1.22 -0.41 1 61 SER 4.00 1.95 1 62 VAL 5.39 1.74 1 63 ILE 5.43 -0.18 1 64 SER 4.14 2.93 1 65 ASN 3.52 3.42 1 66 ILE 5.25 0.57 1 67 TYR 5.00 0.93 1 68 SER 4.97 2.72 1 70 VAL 5.99 3.77 1 71 VAL 5.17 3.53 1 72 ALA 3.01 0.76 1 73 SER 1.19 -0.04 1 75 VAL 0.56 -1.30 1 76 SER -0.69 0.96 1 77 SER 4.47 1.65 1 78 ASN 3.86 1.31 1 79 GLU -0.03 0.39 1 80 ALA 3.19 0.52 1 81 LEU 4.54 0.25 1 82 ILE 5.22 0.48 1 83 GLN 5.84 1.52 1 84 ALA 3.61 1.51 1 85 LEU 3.69 1.31 1 86 LEU 2.74 2.53 1 87 GLU 4.82 1.90 1 88 LEU 3.83 0.56 1 89 LEU 3.76 0.46 1 90 SER 5.51 0.03 1 91 ALA 4.63 0.74 1 92 LEU 3.06 1.11 1 93 VAL 5.92 1.47 1 94 HIS 3.57 4.78 1 95 VAL 5.93 1.43 1 96 LEU 3.12 1.27 1 97 SER 3.66 -0.10 1 98 SER -1.10 -1.56 1 99 ALA -3.55 -1.60 1 100 SER -0.46 -0.46 1 101 ILE 0.45 -0.53 1 103 ASN 0.57 -0.39 1 104 VAL -1.34 -1.80 1 105 SER -2.71 -0.36 1 107 VAL 3.80 1.24 1 109 VAL 5.32 -0.26 1 110 ASP 4.96 2.11 1 111 SER 4.54 2.18 1 112 THR 7.77 1.53 1 113 LEU 5.44 0.96 1 114 ASN 3.32 1.98 1 115 VAL 5.38 3.82 1 116 VAL 7.77 1.12 1 117 GLN 3.87 2.33 1 118 ASP 2.64 2.11 1 119 SER 3.86 0.82 1 120 VAL 1.59 1.02 1 122 GLN 2.27 0.06 1 123 TYR 0.56 -0.98 1 124 VAL 0.04 -1.63 1 stop_ save_