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 bmr27259_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.49 _LACS_plot.Line_1_terminator_val_y_1 -1.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.56 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.74 _LACS_plot.Line_2_terminator_val_x_2 8.87 _LACS_plot.Line_2_terminator_val_y_2 6.87 _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 68 TYR 0.37 -3.10 0 10 TRP -0.01 -0.44 1 11 ASN -0.35 -0.41 1 12 LYS 0.21 -0.06 1 14 SER -0.31 -0.24 1 15 LYS 0.01 -0.02 1 17 LYS 0.49 0.30 1 18 THR -0.32 -0.24 1 19 ASN 0.32 0.01 1 20 MET -0.02 -0.20 1 21 LYS 0.33 0.06 1 22 HIS 0.37 0.19 1 23 MET -0.22 -0.21 1 24 ALA 0.06 0.09 1 26 ALA -0.11 -0.07 1 27 ALA -0.17 -0.04 1 28 ALA -0.02 -0.14 1 29 ALA 0.39 0.27 1 31 ALA -0.52 -0.14 1 32 VAL 0.23 -0.09 1 33 VAL 0.74 0.32 1 36 LEU -0.02 0.01 1 38 VAL 0.57 0.00 1 39 TYR -1.68 -0.47 1 40 MET -3.10 -1.84 1 41 LEU -2.97 -1.86 1 43 SER 0.08 0.15 1 44 ALA 1.32 0.43 1 45 MET -5.31 -1.54 1 46 SER 1.12 0.26 1 47 ARG 1.57 0.85 1 49 ILE 2.57 -0.15 1 50 ILE -2.83 -2.47 1 51 HIS -1.10 -0.94 1 52 PHE -0.08 1.57 1 54 SER -3.69 -1.70 1 55 ASP 4.05 3.36 1 56 TYR 4.43 3.55 1 57 GLU 3.23 3.16 1 58 ASP 5.10 4.16 1 59 ARG 4.69 3.60 1 60 TYR 5.22 4.33 1 61 TYR 5.83 4.96 1 62 ARG 5.02 3.95 1 63 GLU 1.88 1.46 1 64 ASN -0.35 1.76 1 65 MET 6.92 3.82 1 66 HIS 4.25 2.56 1 67 ARG 0.69 0.20 1 70 ASN -0.51 -1.16 1 71 GLN -5.49 -1.64 1 72 VAL -4.17 -3.50 1 73 TYR -4.15 -1.04 1 74 TYR -2.35 -0.28 1 77 MET 2.57 1.59 1 78 ASP 2.99 1.03 1 82 ASN -1.72 -0.91 1 83 GLN 4.41 3.83 1 84 ASN 4.36 3.46 1 85 ASN 4.15 2.84 1 87 VAL 6.80 5.56 1 88 HIS 5.14 4.46 1 89 ASP 3.33 3.06 1 91 VAL 5.16 3.91 1 92 ASN 3.77 3.46 1 93 ILE 3.60 1.46 1 94 THR 8.87 7.03 1 95 ILE 6.71 4.50 1 96 LYS 4.90 3.76 1 97 GLN 3.49 2.00 1 98 HIS 2.42 3.83 1 99 THR 4.27 3.43 1 100 VAL 3.77 2.87 1 101 THR 2.93 2.36 1 102 THR 2.98 2.23 1 103 THR 3.06 2.32 1 104 THR 2.78 2.03 1 105 LYS 1.02 0.25 1 107 GLU -1.75 -0.91 1 108 ASN -1.43 -0.24 1 109 PHE -1.23 -1.00 1 110 THR -3.60 -1.36 1 111 GLU 4.59 3.25 1 112 THR 6.27 5.03 1 113 ASP 3.52 3.76 1 114 VAL 7.07 5.50 1 115 LYS 4.57 3.13 1 116 MET 5.20 4.63 1 117 MET 3.87 4.22 1 118 GLU 5.70 3.96 1 119 ARG 3.53 2.46 1 120 VAL 4.52 3.63 1 121 VAL 6.16 4.33 1 122 GLU 5.48 4.40 1 123 GLN 4.90 3.16 1 124 MET 2.84 4.43 1 126 ILE 6.42 5.46 1 127 THR 7.17 5.33 1 128 GLN 4.41 2.90 1 129 TYR 6.05 4.03 1 130 GLU 4.75 2.76 1 131 ARG 3.98 3.16 1 132 GLU 2.34 1.26 1 133 SER 4.50 3.03 1 134 GLN 3.89 2.56 1 135 ALA 2.43 1.56 1 136 TYR 2.45 2.56 1 137 TYR 2.18 1.30 1 138 GLN 1.49 0.66 1 139 ARG 1.44 0.95 1 141 SER -0.17 -0.10 1 142 SER 0.90 1.66 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27259_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.49 _LACS_plot.Line_1_terminator_val_y_1 3.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 8.87 _LACS_plot.Line_2_terminator_val_y_2 -2.00 _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 68 TYR 0.37 -3.47 0 10 TRP -0.01 -0.43 1 11 ASN -0.35 -0.06 1 12 LYS 0.21 -0.27 1 14 SER -0.31 0.07 1 15 LYS 0.01 -0.03 1 17 LYS 0.49 -0.19 1 18 THR -0.32 0.08 1 19 ASN 0.32 -0.31 1 20 MET -0.02 -0.18 1 21 LYS 0.33 -0.27 1 22 HIS 0.37 -0.18 1 23 MET -0.22 0.01 1 24 ALA 0.06 0.03 1 26 ALA -0.11 0.04 1 27 ALA -0.17 0.13 1 28 ALA -0.02 -0.12 1 29 ALA 0.39 -0.12 1 31 ALA -0.52 0.38 1 32 VAL 0.23 -0.32 1 33 VAL 0.74 -0.42 1 36 LEU -0.02 0.03 1 38 VAL 0.57 -0.57 1 39 TYR -1.68 1.21 1 40 MET -3.10 1.26 1 41 LEU -2.97 1.11 1 43 SER 0.08 0.07 1 44 ALA 1.32 -0.89 1 45 MET -5.31 3.77 1 46 SER 1.12 -0.86 1 47 ARG 1.57 -0.72 1 49 ILE 2.57 -2.72 1 50 ILE -2.83 0.36 1 51 HIS -1.10 0.16 1 52 PHE -0.08 1.65 1 54 SER -3.69 1.99 1 55 ASP 4.05 -0.69 1 56 TYR 4.43 -0.88 1 57 GLU 3.23 -0.07 1 58 ASP 5.10 -0.94 1 59 ARG 4.69 -1.09 1 60 TYR 5.22 -0.89 1 61 TYR 5.83 -0.87 1 62 ARG 5.02 -1.07 1 63 GLU 1.88 -0.42 1 64 ASN -0.35 2.11 1 65 MET 6.92 -3.10 1 66 HIS 4.25 -1.69 1 67 ARG 0.69 -0.49 1 70 ASN -0.51 -0.65 1 71 GLN -5.49 3.85 1 72 VAL -4.17 0.67 1 73 TYR -4.15 3.11 1 74 TYR -2.35 2.07 1 77 MET 2.57 -0.98 1 78 ASP 2.99 -1.96 1 82 ASN -1.72 0.81 1 83 GLN 4.41 -0.58 1 84 ASN 4.36 -0.90 1 85 ASN 4.15 -1.31 1 87 VAL 6.80 -1.24 1 88 HIS 5.14 -0.68 1 89 ASP 3.33 -0.27 1 91 VAL 5.16 -1.25 1 92 ASN 3.77 -0.31 1 93 ILE 3.60 -2.14 1 94 THR 8.87 -1.84 1 95 ILE 6.71 -2.21 1 96 LYS 4.90 -1.14 1 97 GLN 3.49 -1.49 1 98 HIS 2.42 1.41 1 99 THR 4.27 -0.84 1 100 VAL 3.77 -0.90 1 101 THR 2.93 -0.57 1 102 THR 2.98 -0.75 1 103 THR 3.06 -0.74 1 104 THR 2.78 -0.75 1 105 LYS 1.02 -0.77 1 107 GLU -1.75 0.84 1 108 ASN -1.43 1.19 1 109 PHE -1.23 0.23 1 110 THR -3.60 2.24 1 111 GLU 4.59 -1.34 1 112 THR 6.27 -1.24 1 113 ASP 3.52 0.24 1 114 VAL 7.07 -1.57 1 115 LYS 4.57 -1.44 1 116 MET 5.20 -0.57 1 117 MET 3.87 0.35 1 118 GLU 5.70 -1.74 1 119 ARG 3.53 -1.07 1 120 VAL 4.52 -0.89 1 121 VAL 6.16 -1.83 1 122 GLU 5.48 -1.08 1 123 GLN 4.90 -1.74 1 124 MET 2.84 1.59 1 126 ILE 6.42 -0.96 1 127 THR 7.17 -1.84 1 128 GLN 4.41 -1.51 1 129 TYR 6.05 -2.02 1 130 GLU 4.75 -1.99 1 131 ARG 3.98 -0.82 1 132 GLU 2.34 -1.08 1 133 SER 4.50 -1.47 1 134 GLN 3.89 -1.33 1 135 ALA 2.43 -0.87 1 136 TYR 2.45 0.11 1 137 TYR 2.18 -0.88 1 138 GLN 1.49 -0.83 1 139 ARG 1.44 -0.49 1 141 SER -0.17 0.07 1 142 SER 0.90 0.76 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27259_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.49 _LACS_plot.Line_1_terminator_val_y_1 0.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 8.87 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _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 129 TYR 6.05 -1.59 0 83 GLN 4.41 -1.52 0 10 TRP -0.01 0.02 1 11 ASN -0.35 -0.12 1 12 LYS 0.21 -0.16 1 14 SER -0.31 -0.09 1 15 LYS 0.01 0.03 1 17 LYS 0.49 0.04 1 18 THR -0.32 -0.01 1 19 ASN 0.32 0.00 1 20 MET -0.02 -0.03 1 21 LYS 0.33 -0.07 1 22 HIS 0.37 -0.04 1 23 MET -0.22 0.00 1 24 ALA 0.06 0.01 1 26 ALA -0.11 0.00 1 27 ALA -0.17 -0.04 1 28 ALA -0.02 -0.04 1 29 ALA 0.39 0.00 1 31 ALA -0.52 0.07 1 32 VAL 0.23 0.01 1 33 VAL 0.74 0.01 1 36 LEU -0.02 0.02 1 38 VAL 0.57 -0.02 1 39 TYR -1.68 0.01 1 40 MET -3.10 0.05 1 41 LEU -2.97 0.14 1 43 SER 0.08 -0.09 1 44 ALA 1.32 0.13 1 45 MET -5.31 0.27 1 46 SER 1.12 -0.09 1 47 ARG 1.57 -0.23 1 49 ILE 2.57 -0.03 1 50 ILE -2.83 -0.24 1 51 HIS -1.10 0.20 1 52 PHE -0.08 -0.26 1 54 SER -3.69 0.35 1 55 ASP 4.05 -0.12 1 56 TYR 4.43 -0.35 1 57 GLU 3.23 -0.75 1 58 ASP 5.10 0.03 1 59 ARG 4.69 -0.33 1 60 TYR 5.22 -0.70 1 61 TYR 5.83 -0.41 1 62 ARG 5.02 -0.40 1 63 GLU 1.88 -0.27 1 64 ASN -0.35 -0.46 1 65 MET 6.92 -1.02 1 66 HIS 4.25 -0.49 1 67 ARG 0.69 -0.21 1 68 TYR 0.37 0.20 1 70 ASN -0.51 -0.01 1 71 GLN -5.49 0.21 1 72 VAL -4.17 0.80 1 73 TYR -4.15 0.98 1 74 TYR -2.35 -0.09 1 77 MET 2.57 0.00 1 78 ASP 2.99 -0.15 1 82 ASN -1.72 0.04 1 84 ASN 4.36 -0.47 1 85 ASN 4.15 -0.17 1 87 VAL 6.80 -0.59 1 88 HIS 5.14 -0.42 1 89 ASP 3.33 -0.07 1 91 VAL 5.16 -0.47 1 92 ASN 3.77 -0.41 1 93 ILE 3.60 -0.44 1 94 THR 8.87 -0.28 1 95 ILE 6.71 -0.46 1 96 LYS 4.90 -0.24 1 97 GLN 3.49 -0.29 1 98 HIS 2.42 -0.13 1 99 THR 4.27 -0.16 1 100 VAL 3.77 -0.12 1 101 THR 2.93 -0.11 1 102 THR 2.98 -0.13 1 103 THR 3.06 0.04 1 104 THR 2.78 -0.10 1 105 LYS 1.02 0.05 1 107 GLU -1.75 -0.07 1 108 ASN -1.43 -0.06 1 109 PHE -1.23 0.66 1 110 THR -3.60 0.28 1 111 GLU 4.59 -0.26 1 112 THR 6.27 -0.54 1 113 ASP 3.52 -0.05 1 114 VAL 7.07 -0.80 1 115 LYS 4.57 -0.23 1 116 MET 5.20 -0.31 1 117 MET 3.87 -0.89 1 118 GLU 5.70 -0.66 1 119 ARG 3.53 -0.12 1 120 VAL 4.52 -0.31 1 121 VAL 6.16 -0.47 1 122 GLU 5.48 -0.74 1 123 GLN 4.90 -0.34 1 124 MET 2.84 -0.29 1 126 ILE 6.42 -0.57 1 127 THR 7.17 -0.38 1 128 GLN 4.41 -0.68 1 130 GLU 4.75 -0.61 1 131 ARG 3.98 -0.34 1 132 GLU 2.34 -0.31 1 133 SER 4.50 -0.56 1 134 GLN 3.89 -0.20 1 135 ALA 2.43 -0.13 1 136 TYR 2.45 -0.38 1 137 TYR 2.18 -0.17 1 138 GLN 1.49 -0.09 1 139 ARG 1.44 -0.06 1 141 SER -0.17 0.05 1 142 SER 0.90 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27259_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.49 _LACS_plot.Line_1_terminator_val_y_1 -2.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.84 _LACS_plot.Line_2_terminator_val_x_2 8.87 _LACS_plot.Line_2_terminator_val_y_2 2.94 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 12 LYS 0.21 3.68 0 10 TRP -0.01 -0.54 1 11 ASN -0.35 -1.19 1 14 SER -0.31 -0.59 1 15 LYS 0.01 -0.45 1 17 LYS 0.49 0.15 1 18 THR -0.32 -0.87 1 19 ASN 0.32 -0.16 1 20 MET -0.02 -0.24 1 21 LYS 0.33 -0.54 1 22 HIS 0.37 0.09 1 23 MET -0.22 -0.74 1 24 ALA 0.06 0.16 1 26 ALA -0.11 -0.18 1 27 ALA -0.17 -0.34 1 28 ALA -0.02 -0.34 1 29 ALA 0.39 0.34 1 31 ALA -0.52 -0.34 1 32 VAL 0.23 -0.24 1 33 VAL 0.74 0.11 1 36 LEU -0.02 -0.12 1 38 VAL 0.57 -1.08 1 39 TYR -1.68 -0.68 1 40 MET -3.10 -3.32 1 41 LEU -2.97 0.38 1 43 SER 0.08 0.44 1 44 ALA 1.32 -0.53 1 45 MET -5.31 -0.92 1 46 SER 1.12 -0.27 1 47 ARG 1.57 0.03 1 49 ILE 2.57 -1.36 1 50 ILE -2.83 -3.26 1 51 HIS -1.10 0.43 1 52 PHE -0.08 0.79 1 54 SER -3.69 -0.77 1 55 ASP 4.05 2.16 1 56 TYR 4.43 1.90 1 57 GLU 3.23 0.83 1 58 ASP 5.10 2.87 1 59 ARG 4.69 1.34 1 60 TYR 5.22 3.61 1 61 TYR 5.83 1.03 1 62 ARG 5.02 3.21 1 63 GLU 1.88 0.67 1 64 ASN -0.35 0.18 1 65 MET 6.92 0.11 1 66 HIS 4.25 0.78 1 67 ARG 0.69 0.11 1 68 TYR 0.37 -2.00 1 70 ASN -0.51 -2.40 1 71 GLN -5.49 -1.31 1 72 VAL -4.17 -2.47 1 73 TYR -4.15 -1.71 1 74 TYR -2.35 -1.82 1 77 MET 2.57 0.29 1 78 ASP 2.99 -2.11 1 82 ASN -1.72 -1.19 1 83 GLN 4.41 0.75 1 84 ASN 4.36 2.60 1 85 ASN 4.15 2.05 1 87 VAL 6.80 0.45 1 89 ASP 3.33 -0.40 1 91 VAL 5.16 0.79 1 92 ASN 3.77 3.10 1 93 ILE 3.60 1.40 1 94 THR 8.87 2.57 1 95 ILE 6.71 2.43 1 96 LYS 4.90 2.23 1 97 GLN 3.49 1.96 1 98 HIS 2.42 2.83 1 99 THR 4.27 1.02 1 100 VAL 3.77 1.32 1 101 THR 2.93 1.20 1 102 THR 2.98 1.36 1 103 THR 3.06 1.96 1 104 THR 2.78 0.18 1 105 LYS 1.02 0.15 1 107 GLU -1.75 -1.56 1 108 ASN -1.43 -1.37 1 109 PHE -1.23 0.79 1 110 THR -3.60 0.52 1 111 GLU 4.59 2.39 1 112 THR 6.27 0.70 1 113 ASP 3.52 1.16 1 114 VAL 7.07 1.32 1 115 LYS 4.57 3.39 1 116 MET 5.20 1.68 1 117 MET 3.87 1.32 1 118 GLU 5.70 1.54 1 119 ARG 3.53 2.87 1 120 VAL 4.52 0.79 1 121 VAL 6.16 0.97 1 122 GLU 5.48 0.86 1 123 GLN 4.90 2.83 1 124 MET 2.84 2.18 1 126 ILE 6.42 1.56 1 127 THR 7.17 2.05 1 128 GLN 4.41 1.09 1 129 TYR 6.05 2.06 1 130 GLU 4.75 2.23 1 131 ARG 3.98 3.21 1 132 GLU 2.34 2.04 1 133 SER 4.50 1.12 1 134 GLN 3.89 1.62 1 135 ALA 2.43 1.19 1 136 TYR 2.45 1.19 1 137 TYR 2.18 0.69 1 138 GLN 1.49 0.25 1 139 ARG 1.44 0.63 1 141 SER -0.17 -0.93 1 142 SER 0.90 -0.41 1 stop_ save_