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 bmr16569_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 -3.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 7.20 _LACS_plot.Line_2_terminator_val_y_2 5.24 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 ILE 1.42 -2.84 0 11 GLU 0.48 0.32 1 12 PHE -0.10 -0.11 1 13 TYR -0.03 -0.16 1 14 GLN -0.51 -0.17 1 15 ASP -0.05 0.62 1 16 ASN 0.37 2.40 1 17 VAL -2.58 -1.62 1 18 THR -1.24 0.10 1 19 ASP -2.63 -1.61 1 20 TYR 2.23 1.75 1 21 THR 0.49 1.30 1 23 GLN -1.19 -0.19 1 25 SER -0.60 -0.02 1 26 SER 5.13 3.39 1 27 SER 4.52 3.02 1 28 ASP 4.57 3.54 1 29 ILE 7.21 5.04 1 30 THR 6.23 5.03 1 31 ASN 4.20 2.75 1 32 ILE 5.39 4.89 1 33 GLN 4.23 2.92 1 34 ALA 4.05 2.67 1 35 ALA 2.91 2.30 1 36 ILE 5.74 5.26 1 37 ASP 5.46 3.73 1 38 ASP 3.99 3.39 1 39 VAL 5.77 4.34 1 40 LYS 4.08 4.14 1 41 ALA 2.17 1.99 1 42 SER 5.83 2.01 1 43 GLU -2.63 -2.10 1 44 GLN 5.57 1.53 1 45 LYS -5.88 -1.72 1 46 VAL -1.64 0.01 1 47 ILE -4.09 -1.45 1 48 PHE -2.72 -0.55 1 49 VAL -3.55 -1.86 1 50 VAL -4.38 -2.40 1 51 PHE -2.15 -1.97 1 52 LEU -4.11 -1.98 1 53 SER 4.11 2.72 1 54 SER -3.10 -2.43 1 55 PHE 3.99 3.06 1 56 ASP 2.53 0.80 1 58 VAL -0.78 -0.84 1 59 ASP 0.16 0.53 1 61 GLU 4.31 3.38 1 62 THR 5.95 4.39 1 63 TRP 3.03 5.21 1 64 THR 6.28 5.06 1 65 GLN 5.31 3.93 1 66 GLN 5.05 2.98 1 67 ALA 3.08 2.00 1 68 LEU 3.79 2.83 1 69 GLN 3.98 2.58 1 70 ALA 2.61 1.53 1 71 ASN 0.89 2.08 1 75 ASN 0.89 -1.03 1 76 VAL -0.79 -0.16 1 77 LEU -4.33 -1.27 1 78 ILE -3.16 -2.50 1 79 TYR -5.34 -4.43 1 80 ALA -7.57 -3.52 1 81 LEU -3.96 -1.16 1 82 ALA -5.46 -3.12 1 84 GLU 2.18 2.02 1 85 GLU -2.43 -1.60 1 86 ARG 4.52 1.00 1 87 GLN -5.91 -1.54 1 88 TYR -5.26 -1.65 1 90 ILE -4.09 -0.76 1 91 GLN -5.08 -1.50 1 94 THR 3.34 2.79 1 95 GLN 1.24 0.86 1 96 TRP 1.32 -0.26 1 97 THR -2.79 -1.49 1 98 ASP 4.76 3.40 1 99 ALA 3.39 2.64 1 100 GLU 1.54 2.30 1 101 LEU 4.42 2.82 1 102 ASP 3.38 3.08 1 103 ALA 3.90 2.62 1 104 ALA 4.77 2.62 1 105 ASN 3.15 3.95 1 106 ASN 4.05 3.45 1 107 ALA 2.68 1.99 1 108 ALA 4.76 2.68 1 109 PHE 4.76 4.33 1 110 GLN 4.79 3.22 1 111 ALA 3.01 1.65 1 112 LEU 4.50 2.84 1 113 SER 4.20 2.88 1 114 GLN -0.82 -1.57 1 115 GLU 4.23 -0.07 1 116 ASP -1.17 -3.50 1 117 TRP 1.32 1.45 1 118 ALA 3.67 2.95 1 120 SER 4.32 2.91 1 121 ALA 0.68 1.69 1 122 LEU 3.47 2.85 1 123 ALA 2.88 1.78 1 124 LEU 5.89 4.89 1 125 ALA 4.38 3.02 1 126 GLU 2.08 1.65 1 127 SER 2.98 2.65 1 128 VAL 2.66 1.21 1 130 SER 0.34 0.30 1 131 SER 0.47 0.30 1 138 SER 0.31 0.12 1 139 SER 0.34 0.30 1 140 SER 0.56 0.27 1 141 LEU 0.58 0.28 1 142 GLU -0.26 -0.04 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16569_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 4.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.69 _LACS_plot.Line_2_terminator_val_x_2 7.20 _LACS_plot.Line_2_terminator_val_y_2 -1.96 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 ILE 1.42 -4.26 0 11 GLU 0.48 -0.16 1 12 PHE -0.10 -0.01 1 13 TYR -0.03 -0.13 1 14 GLN -0.51 0.34 1 15 ASP -0.05 0.67 1 16 ASN 0.37 2.03 1 17 VAL -2.58 0.96 1 18 THR -1.24 1.34 1 19 ASP -2.63 1.02 1 20 TYR 2.23 -0.48 1 21 THR 0.49 0.81 1 23 GLN -1.19 1.00 1 25 SER -0.60 0.58 1 26 SER 5.13 -1.74 1 27 SER 4.52 -1.50 1 28 ASP 4.57 -1.03 1 29 ILE 7.21 -2.17 1 30 THR 6.23 -1.20 1 31 ASN 4.20 -1.45 1 32 ILE 5.39 -0.50 1 33 GLN 4.23 -1.31 1 34 ALA 4.05 -1.38 1 35 ALA 2.91 -0.61 1 36 ILE 5.74 -0.48 1 37 ASP 5.46 -1.73 1 38 ASP 3.99 -0.60 1 39 VAL 5.77 -1.43 1 40 LYS 4.08 0.06 1 41 ALA 2.17 -0.18 1 42 SER 5.83 -3.82 1 43 GLU -2.63 0.53 1 44 GLN 5.57 -4.04 1 45 LYS -5.88 4.16 1 46 VAL -1.64 1.65 1 47 ILE -4.09 2.64 1 48 PHE -2.72 2.17 1 49 VAL -3.55 1.69 1 50 VAL -4.38 1.98 1 51 PHE -2.15 0.18 1 52 LEU -4.11 2.13 1 53 SER 4.11 -1.39 1 54 SER -3.10 0.67 1 55 PHE 3.99 -0.93 1 56 ASP 2.53 -1.73 1 58 VAL -0.78 -0.06 1 59 ASP 0.16 0.37 1 61 GLU 4.31 -0.93 1 62 THR 5.95 -1.56 1 63 TRP 3.03 2.18 1 64 THR 6.28 -1.22 1 65 GLN 5.31 -1.38 1 66 GLN 5.05 -2.07 1 67 ALA 3.08 -1.08 1 68 LEU 3.79 -0.96 1 69 GLN 3.98 -1.40 1 70 ALA 2.61 -1.08 1 71 ASN 0.89 1.19 1 75 ASN 0.89 -1.92 1 76 VAL -0.79 0.63 1 77 LEU -4.33 3.06 1 78 ILE -3.16 0.66 1 79 TYR -5.34 0.91 1 80 ALA -7.57 4.05 1 81 LEU -3.96 2.80 1 82 ALA -5.46 2.34 1 84 GLU 2.18 -0.16 1 85 GLU -2.43 0.83 1 86 ARG 4.52 -3.52 1 87 GLN -5.91 4.37 1 88 TYR -5.26 3.61 1 90 ILE -4.09 3.33 1 91 GLN -5.08 3.58 1 94 THR 3.34 -0.55 1 95 GLN 1.24 -0.38 1 96 TRP 1.32 -1.58 1 97 THR -2.79 1.30 1 98 ASP 4.76 -1.36 1 99 ALA 3.39 -0.75 1 100 GLU 1.54 0.76 1 101 LEU 4.42 -1.60 1 102 ASP 3.38 -0.30 1 103 ALA 3.90 -1.28 1 104 ALA 4.77 -2.15 1 105 ASN 3.15 0.80 1 106 ASN 4.05 -0.60 1 107 ALA 2.68 -0.69 1 108 ALA 4.76 -2.08 1 109 PHE 4.76 -0.43 1 110 GLN 4.79 -1.57 1 111 ALA 3.01 -1.36 1 112 LEU 4.50 -1.66 1 113 SER 4.20 -1.32 1 114 GLN -0.82 -0.75 1 115 GLU 4.23 -4.30 1 116 ASP -1.17 -2.33 1 117 TRP 1.32 0.13 1 118 ALA 3.67 -0.72 1 120 SER 4.32 -1.41 1 121 ALA 0.68 1.01 1 122 LEU 3.47 -0.62 1 123 ALA 2.88 -1.10 1 124 LEU 5.89 -1.00 1 125 ALA 4.38 -1.36 1 126 GLU 2.08 -0.43 1 127 SER 2.98 -0.33 1 128 VAL 2.66 -1.45 1 130 SER 0.34 -0.04 1 131 SER 0.47 -0.17 1 138 SER 0.31 -0.19 1 139 SER 0.34 -0.04 1 140 SER 0.56 -0.29 1 141 LEU 0.58 -0.30 1 142 GLU -0.26 0.22 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16569_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 0.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 7.20 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _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 115 GLU 4.23 -2.19 0 11 GLU 0.48 -0.22 1 12 PHE -0.10 -0.15 1 13 TYR -0.03 -0.03 1 14 GLN -0.51 0.00 1 15 ASP -0.05 0.04 1 16 ASN 0.37 0.28 1 17 VAL -2.58 1.05 1 18 THR -1.24 0.09 1 19 ASP -2.63 0.94 1 20 TYR 2.23 0.00 1 21 THR 0.49 -0.14 1 23 GLN -1.19 -0.05 1 24 ILE 1.42 -0.05 1 25 SER -0.60 -0.20 1 26 SER 5.13 -0.41 1 27 SER 4.52 -0.27 1 28 ASP 4.57 -0.09 1 29 ILE 7.21 -0.61 1 30 THR 6.23 -0.40 1 31 ASN 4.20 -0.16 1 32 ILE 5.39 -0.58 1 33 GLN 4.23 -0.67 1 34 ALA 4.05 -0.02 1 35 ALA 2.91 -0.07 1 36 ILE 5.74 -0.69 1 37 ASP 5.46 -0.14 1 38 ASP 3.99 -0.04 1 39 VAL 5.77 -0.37 1 40 LYS 4.08 -0.11 1 41 ALA 2.17 -0.13 1 42 SER 5.83 -0.03 1 43 GLU -2.63 0.22 1 44 GLN 5.57 -0.19 1 45 LYS -5.88 0.27 1 46 VAL -1.64 -0.11 1 47 ILE -4.09 0.79 1 48 PHE -2.72 0.74 1 49 VAL -3.55 1.08 1 50 VAL -4.38 0.84 1 51 PHE -2.15 0.65 1 52 LEU -4.11 0.07 1 53 SER 4.11 -0.42 1 54 SER -3.10 -0.43 1 55 PHE 3.99 -0.81 1 56 ASP 2.53 -0.41 1 58 VAL -0.78 -0.08 1 59 ASP 0.16 -0.45 1 61 GLU 4.31 -0.38 1 62 THR 5.95 -0.43 1 63 TRP 3.03 -0.81 1 64 THR 6.28 -0.32 1 65 GLN 5.31 -0.45 1 66 GLN 5.05 -0.47 1 67 ALA 3.08 -0.49 1 68 LEU 3.79 -0.46 1 69 GLN 3.98 -0.39 1 70 ALA 2.61 -0.25 1 71 ASN 0.89 -0.22 1 75 ASN 0.89 -0.17 1 76 VAL -0.79 1.08 1 77 LEU -4.33 0.50 1 78 ILE -3.16 0.90 1 79 TYR -5.34 1.16 1 80 ALA -7.57 0.96 1 81 LEU -3.96 0.68 1 82 ALA -5.46 0.96 1 84 GLU 2.18 -0.45 1 85 GLU -2.43 0.08 1 86 ARG 4.52 -0.70 1 87 GLN -5.91 0.76 1 88 TYR -5.26 1.10 1 90 ILE -4.09 1.28 1 91 GLN -5.08 0.36 1 94 THR 3.34 -0.13 1 95 GLN 1.24 -0.08 1 96 TRP 1.32 -0.22 1 97 THR -2.79 0.23 1 98 ASP 4.76 -0.23 1 99 ALA 3.39 -0.08 1 100 GLU 1.54 -0.19 1 101 LEU 4.42 -0.38 1 102 ASP 3.38 -0.18 1 103 ALA 3.90 -0.14 1 104 ALA 4.77 -0.12 1 105 ASN 3.15 -0.56 1 106 ASN 4.05 -0.32 1 107 ALA 2.68 -0.27 1 108 ALA 4.76 -0.34 1 109 PHE 4.76 -0.79 1 110 GLN 4.79 -0.51 1 111 ALA 3.01 -0.09 1 112 LEU 4.50 -0.86 1 113 SER 4.20 -0.46 1 114 GLN -0.82 0.05 1 116 ASP -1.17 -0.11 1 117 TRP 1.32 -0.34 1 118 ALA 3.67 -0.05 1 120 SER 4.32 -0.41 1 121 ALA 0.68 -0.06 1 122 LEU 3.47 -0.40 1 123 ALA 2.88 -0.28 1 124 LEU 5.89 -0.60 1 125 ALA 4.38 -0.44 1 126 GLU 2.08 -0.26 1 127 SER 2.98 -0.29 1 128 VAL 2.66 -0.01 1 130 SER 0.34 0.03 1 131 SER 0.47 0.03 1 138 SER 0.31 0.04 1 139 SER 0.34 0.03 1 140 SER 0.56 -0.05 1 141 LEU 0.58 -0.07 1 142 GLU -0.26 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16569_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.57 _LACS_plot.Line_1_terminator_val_y_1 -3.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.92 _LACS_plot.Line_2_terminator_val_x_2 7.20 _LACS_plot.Line_2_terminator_val_y_2 3.04 _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 115 GLU 4.23 -3.51 0 11 GLU 0.48 -0.69 1 12 PHE -0.10 -0.83 1 13 TYR -0.03 -0.81 1 14 GLN -0.51 -0.80 1 15 ASP -0.05 0.66 1 16 ASN 0.37 -2.11 1 17 VAL -2.58 -1.92 1 18 THR -1.24 -2.54 1 19 ASP -2.63 -0.16 1 20 TYR 2.23 1.06 1 21 THR 0.49 1.79 1 23 GLN -1.19 0.14 1 24 ILE 1.42 -0.02 1 25 SER -0.60 0.72 1 26 SER 5.13 2.71 1 27 SER 4.52 1.78 1 28 ASP 4.57 2.19 1 29 ILE 7.21 1.18 1 30 THR 6.23 2.32 1 31 ASN 4.20 3.17 1 32 ILE 5.39 0.80 1 33 GLN 4.23 1.31 1 34 ALA 4.05 2.44 1 35 ALA 2.91 2.91 1 36 ILE 5.74 2.91 1 37 ASP 5.46 3.24 1 38 ASP 3.99 2.54 1 39 VAL 5.77 2.65 1 40 LYS 4.08 3.06 1 41 ALA 2.17 1.51 1 42 SER 5.83 1.40 1 43 GLU -2.63 -0.58 1 44 GLN 5.57 -0.91 1 45 LYS -5.88 -1.98 1 46 VAL -1.64 -3.09 1 47 ILE -4.09 -1.90 1 48 PHE -2.72 -1.30 1 49 VAL -3.55 -1.21 1 50 VAL -4.38 -2.78 1 51 PHE -2.15 -0.83 1 52 LEU -4.11 -0.40 1 53 SER 4.11 -0.10 1 54 SER -3.10 -1.27 1 55 PHE 3.99 0.11 1 56 ASP 2.53 -0.28 1 58 VAL -0.78 -0.51 1 59 ASP 0.16 0.27 1 61 GLU 4.31 1.42 1 62 THR 5.95 1.44 1 63 TRP 3.03 3.91 1 64 THR 6.28 2.03 1 65 GLN 5.31 2.37 1 66 GLN 5.05 2.95 1 67 ALA 3.08 2.09 1 68 LEU 3.79 1.61 1 69 GLN 3.98 2.37 1 70 ALA 2.61 0.45 1 71 ASN 0.89 0.47 1 75 ASN 0.89 0.12 1 76 VAL -0.79 -3.26 1 77 LEU -4.33 -3.34 1 78 ILE -3.16 -2.96 1 79 TYR -5.34 -3.74 1 80 ALA -7.57 -3.30 1 81 LEU -3.96 -4.16 1 82 ALA -5.46 -0.82 1 84 GLU 2.18 1.18 1 85 GLU -2.43 -1.63 1 86 ARG 4.52 -1.68 1 87 GLN -5.91 -2.20 1 88 TYR -5.26 -3.63 1 90 ILE -4.09 -0.26 1 91 GLN -5.08 -2.44 1 94 THR 3.34 1.32 1 95 GLN 1.24 0.84 1 96 TRP 1.32 0.04 1 97 THR -2.79 0.62 1 98 ASP 4.76 2.30 1 99 ALA 3.39 3.61 1 100 GLU 1.54 3.64 1 101 LEU 4.42 2.17 1 102 ASP 3.38 2.07 1 103 ALA 3.90 2.91 1 104 ALA 4.77 0.69 1 105 ASN 3.15 1.64 1 106 ASN 4.05 2.00 1 107 ALA 2.68 2.21 1 108 ALA 4.76 1.51 1 109 PHE 4.76 2.45 1 110 GLN 4.79 2.37 1 111 ALA 3.01 2.56 1 112 LEU 4.50 3.58 1 113 SER 4.20 -0.22 1 114 GLN -0.82 -1.38 1 116 ASP -1.17 0.19 1 117 TRP 1.32 4.49 1 118 ALA 3.67 1.86 1 120 SER 4.32 -0.57 1 121 ALA 0.68 0.33 1 122 LEU 3.47 0.18 1 123 ALA 2.88 2.79 1 124 LEU 5.89 1.82 1 125 ALA 4.38 0.92 1 126 GLU 2.08 1.77 1 127 SER 2.98 0.60 1 128 VAL 2.66 0.54 1 130 SER 0.34 0.60 1 131 SER 0.47 0.37 1 138 SER 0.31 0.25 1 139 SER 0.34 0.25 1 141 LEU 0.58 -0.17 1 142 GLU -0.26 -0.34 1 stop_ save_