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 bmr6344_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 -2.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.80 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 3.91 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 TYR -7.40 -0.80 0 77 TYR -1.60 2.30 0 40 ILE 4.00 4.50 0 11 MET -0.30 -0.30 1 12 ARG 0.10 0.30 1 13 LYS -0.70 -0.50 1 14 ILE -1.00 -0.30 1 15 ASP -1.10 -1.70 1 16 LEU -0.80 1.10 1 18 LEU 0.10 0.50 1 19 SER 3.50 2.20 1 20 SER 4.10 2.50 1 21 GLU -0.20 -0.70 1 23 SER 0.80 0.70 1 24 GLU -7.50 -1.30 1 25 VAL 1.20 -0.50 1 26 ILE -3.80 -0.90 1 27 LEU 1.10 0.20 1 28 ALA -2.30 -0.90 1 29 THR 2.40 2.80 1 30 SER -2.10 0.50 1 31 SER -0.30 -0.40 1 32 ASP -2.20 -0.10 1 33 GLU 3.00 2.60 1 34 LYS 1.10 0.60 1 35 HIS -0.50 0.70 1 38 GLU 4.60 3.00 1 39 ASN 2.10 0.60 1 41 ILE 1.90 -0.40 1 42 ASP -0.50 -1.00 1 44 ASN -3.80 -2.10 1 46 GLU 0.90 1.20 1 47 THR -3.10 -3.20 1 49 TRP -4.70 -2.00 1 50 THR -4.60 -2.50 1 51 THR -1.30 -0.80 1 52 THR -1.00 -0.60 1 54 MET -0.50 -0.10 1 55 PHE 4.00 3.20 1 57 GLN -5.00 -1.40 1 58 GLU -8.10 -1.90 1 59 PHE -1.40 -0.60 1 60 ILE -4.60 -1.70 1 61 ILE -1.80 -0.50 1 63 PHE 2.50 2.70 1 64 HIS 6.60 3.10 1 65 LYS -1.60 -0.80 1 66 HIS -2.00 -0.20 1 67 VAL -4.20 -3.10 1 68 ARG -0.50 -0.60 1 69 ILE -0.80 0.80 1 70 GLU -2.60 -0.20 1 71 ARG -3.50 0.20 1 72 LEU -6.00 -1.30 1 73 VAL -2.90 -0.50 1 74 ILE -4.50 -1.50 1 75 GLN -3.10 -1.20 1 76 SER -6.90 -2.80 1 78 PHE 3.70 0.30 1 79 VAL 4.70 3.60 1 80 GLN 2.40 0.90 1 81 THR 0.70 1.50 1 82 LEU -6.80 -2.30 1 83 LYS -4.60 -1.30 1 84 ILE -2.60 -1.10 1 85 GLU -6.50 -2.40 1 86 LYS -6.30 -1.80 1 87 SER -5.00 -3.00 1 88 THR 2.40 0.50 1 89 SER 0.70 0.50 1 90 LYS 3.30 2.90 1 91 GLU -2.20 -0.60 1 93 VAL -6.60 -3.50 1 94 ASP 4.00 1.10 1 95 PHE 1.90 2.50 1 96 GLU -5.70 -2.40 1 97 GLN 3.10 2.40 1 98 TRP -0.50 0.60 1 99 ILE -5.10 -1.80 1 100 GLU -3.10 -0.60 1 101 LYS -5.40 -1.30 1 102 ASP -1.50 -1.10 1 103 LEU -0.20 0.10 1 104 VAL -1.50 -0.80 1 105 HIS -1.30 0.60 1 106 THR -1.30 -1.00 1 107 GLU 1.90 1.50 1 109 GLN -4.30 -1.90 1 110 LEU 0.90 0.50 1 111 GLN 0.70 0.20 1 112 ASN -2.20 -0.40 1 113 GLU -4.10 -1.70 1 114 GLU -3.20 -1.80 1 115 ILE -3.00 -0.60 1 116 VAL 4.00 1.80 1 117 ALA -3.20 -0.90 1 118 HIS -3.40 -1.10 1 120 SER -1.80 -0.90 1 121 ALA -4.90 -0.10 1 122 THR 1.70 0.60 1 124 LEU -6.80 -1.50 1 125 ARG -3.70 -1.20 1 126 PHE -2.40 -1.10 1 127 ILE -2.50 -0.60 1 128 ILE 1.30 0.20 1 129 VAL 3.20 3.20 1 130 SER -3.50 -2.00 1 131 ALA -7.80 -2.00 1 132 PHE 0.80 1.50 1 133 ASP -3.80 -2.00 1 134 HIS 1.90 2.20 1 135 PHE -4.30 -2.80 1 136 ALA -5.70 -1.50 1 137 SER -4.90 -1.70 1 138 VAL -1.20 0.70 1 140 SER -3.30 -0.40 1 141 VAL -0.70 1.10 1 142 SER -4.60 -1.40 1 143 ALA -5.80 -1.50 1 144 GLU -5.50 -2.40 1 146 THR -4.50 -1.90 1 147 VAL 1.30 1.20 1 148 VAL 1.90 1.30 1 149 SER -1.00 -0.20 1 150 ASN 0.40 0.40 1 151 LEU 0.20 0.20 1 152 SER 0.90 1.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6344_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 5.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.06 _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 6.60 _LACS_plot.Line_2_terminator_val_y_2 -2.69 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 TYR -7.40 6.60 0 77 TYR -1.60 3.90 0 40 ILE 4.00 0.50 0 11 MET -0.30 0.00 1 12 ARG 0.10 0.20 1 13 LYS -0.70 0.20 1 14 ILE -1.00 0.70 1 15 ASP -1.10 -0.60 1 16 LEU -0.80 1.90 1 18 LEU 0.10 0.40 1 19 SER 3.50 -1.30 1 20 SER 4.10 -1.60 1 21 GLU -0.20 -0.50 1 23 SER 0.80 -0.10 1 24 GLU -7.50 6.20 1 25 VAL 1.20 -1.70 1 26 ILE -3.80 2.90 1 27 LEU 1.10 -0.90 1 28 ALA -2.30 1.40 1 29 THR 2.40 0.40 1 30 SER -2.10 2.60 1 31 SER -0.30 -0.10 1 32 ASP -2.20 2.10 1 33 GLU 3.00 -0.40 1 34 LYS 1.10 -0.50 1 35 HIS -0.50 1.20 1 38 GLU 4.60 -1.60 1 39 ASN 2.10 -1.50 1 41 ILE 1.90 -2.30 1 42 ASP -0.50 -0.50 1 44 ASN -3.80 1.70 1 46 GLU 0.90 0.30 1 47 THR -3.10 -0.10 1 49 TRP -4.70 2.70 1 50 THR -4.60 2.10 1 51 THR -1.30 0.50 1 52 THR -1.00 0.40 1 54 MET -0.50 0.40 1 55 PHE 4.00 -0.80 1 57 GLN -5.00 3.60 1 58 GLU -8.10 6.20 1 59 PHE -1.40 0.80 1 60 ILE -4.60 2.90 1 61 ILE -1.80 1.30 1 63 PHE 2.50 0.20 1 64 HIS 6.60 -3.50 1 65 LYS -1.60 0.80 1 66 HIS -2.00 1.80 1 67 VAL -4.20 1.10 1 68 ARG -0.50 -0.10 1 69 ILE -0.80 1.60 1 70 GLU -2.60 2.40 1 71 ARG -3.50 3.70 1 72 LEU -6.00 4.70 1 73 VAL -2.90 2.40 1 74 ILE -4.50 3.00 1 75 GLN -3.10 1.90 1 76 SER -6.90 4.10 1 78 PHE 3.70 -3.40 1 79 VAL 4.70 -1.10 1 80 GLN 2.40 -1.50 1 81 THR 0.70 0.80 1 82 LEU -6.80 4.50 1 83 LYS -4.60 3.30 1 84 ILE -2.60 1.50 1 85 GLU -6.50 4.10 1 86 LYS -6.30 4.50 1 87 SER -5.00 2.00 1 88 THR 2.40 -1.90 1 89 SER 0.70 -0.20 1 90 LYS 3.30 -0.40 1 91 GLU -2.20 1.60 1 93 VAL -6.60 3.10 1 94 ASP 4.00 -2.90 1 95 PHE 1.90 0.60 1 96 GLU -5.70 3.30 1 97 GLN 3.10 -0.70 1 98 TRP -0.50 1.10 1 99 ILE -5.10 3.30 1 100 GLU -3.10 2.50 1 101 LYS -5.40 4.10 1 102 ASP -1.50 0.40 1 103 LEU -0.20 0.30 1 104 VAL -1.50 0.70 1 105 HIS -1.30 1.90 1 106 THR -1.30 0.30 1 107 GLU 1.90 -0.40 1 109 GLN -4.30 2.40 1 110 LEU 0.90 -0.40 1 111 GLN 0.70 -0.50 1 112 ASN -2.20 1.80 1 113 GLU -4.10 2.40 1 114 GLU -3.20 1.40 1 115 ILE -3.00 2.40 1 116 VAL 4.00 -2.20 1 117 ALA -3.20 2.30 1 118 HIS -3.40 2.30 1 120 SER -1.80 0.90 1 121 ALA -4.90 4.80 1 122 THR 1.70 -1.10 1 124 LEU -6.80 5.30 1 125 ARG -3.70 2.50 1 126 PHE -2.40 1.30 1 127 ILE -2.50 1.90 1 128 ILE 1.30 -1.10 1 129 VAL 3.20 0.00 1 130 SER -3.50 1.50 1 131 ALA -7.80 5.80 1 132 PHE 0.80 0.70 1 133 ASP -3.80 1.80 1 134 HIS 1.90 0.30 1 135 PHE -4.30 1.50 1 136 ALA -5.70 4.20 1 137 SER -4.90 3.20 1 138 VAL -1.20 1.90 1 140 SER -3.30 2.90 1 141 VAL -0.70 1.80 1 142 SER -4.60 3.20 1 143 ALA -5.80 4.30 1 144 GLU -5.50 3.10 1 146 THR -4.50 2.60 1 147 VAL 1.30 -0.10 1 148 VAL 1.90 -0.60 1 149 SER -1.00 0.80 1 150 ASN 0.40 0.00 1 151 LEU 0.20 0.00 1 152 SER 0.90 0.90 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6344_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 0.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 41 ILE 1.90 1.01 0 75 GLN -3.10 1.68 0 11 MET -0.30 -0.03 1 12 ARG 0.10 0.02 1 13 LYS -0.70 0.18 1 14 ILE -1.00 0.01 1 15 ASP -1.10 0.47 1 16 LEU -0.80 -0.36 1 18 LEU 0.10 0.01 1 19 SER 3.50 0.34 1 20 SER 4.10 -0.14 1 21 GLU -0.20 0.10 1 23 SER 0.80 0.49 1 24 GLU -7.50 0.33 1 25 VAL 1.20 0.84 1 26 ILE -3.80 0.56 1 27 LEU 1.10 -0.21 1 28 ALA -2.30 1.12 1 29 THR 2.40 -0.05 1 30 SER -2.10 0.41 1 31 SER -0.30 0.38 1 32 ASP -2.20 -0.06 1 33 GLU 3.00 -0.32 1 34 LYS 1.10 -0.29 1 35 HIS -0.50 -0.45 1 38 GLU 4.60 -0.41 1 39 ASN 2.10 -0.36 1 40 ILE 4.00 -0.77 1 42 ASP -0.50 -0.01 1 44 ASN -3.80 0.40 1 46 GLU 0.90 0.11 1 47 THR -3.10 0.44 1 49 TRP -4.70 0.27 1 50 THR -4.60 0.83 1 51 THR -1.30 -0.50 1 52 THR -1.00 0.20 1 54 MET -0.50 -0.15 1 55 PHE 4.00 -0.71 1 57 GLN -5.00 0.37 1 58 GLU -8.10 1.67 1 59 PHE -1.40 0.19 1 60 ILE -4.60 1.20 1 61 ILE -1.80 0.46 1 63 PHE 2.50 0.19 1 64 HIS 6.60 -0.78 1 65 LYS -1.60 0.13 1 66 HIS -2.00 0.17 1 67 VAL -4.20 0.88 1 68 ARG -0.50 0.34 1 69 ILE -0.80 -0.08 1 70 GLU -2.60 0.45 1 71 ARG -3.50 0.69 1 72 LEU -6.00 1.23 1 73 VAL -2.90 0.96 1 74 ILE -4.50 0.80 1 76 SER -6.90 0.28 1 77 TYR -1.60 0.10 1 78 PHE 3.70 -0.63 1 79 VAL 4.70 -0.63 1 80 GLN 2.40 0.23 1 81 THR 0.70 0.59 1 82 LEU -6.80 1.01 1 83 LYS -4.60 0.80 1 84 ILE -2.60 0.77 1 85 GLU -6.50 0.92 1 86 LYS -6.30 1.36 1 87 SER -5.00 0.53 1 88 THR 2.40 0.45 1 89 SER 0.70 0.00 1 90 LYS 3.30 -0.06 1 91 GLU -2.20 0.00 1 93 VAL -6.60 0.30 1 94 ASP 4.00 -0.41 1 95 PHE 1.90 -0.42 1 96 GLU -5.70 0.43 1 97 GLN 3.10 -0.18 1 98 TRP -0.50 0.63 1 99 ILE -5.10 0.22 1 100 GLU -3.10 0.75 1 101 LYS -5.40 0.32 1 102 ASP -1.50 0.83 1 103 LEU -0.20 0.25 1 104 VAL -1.50 0.28 1 105 HIS -1.30 -0.18 1 106 THR -1.30 -0.35 1 107 GLU 1.90 -0.42 1 109 GLN -4.30 0.27 1 110 LEU 0.90 -0.39 1 111 GLN 0.70 0.01 1 112 ASN -2.20 0.68 1 113 GLU -4.10 0.38 1 114 GLU -3.20 0.76 1 115 ILE -3.00 0.10 1 116 VAL 4.00 -0.13 1 117 ALA -3.20 -0.03 1 118 HIS -3.40 1.07 1 120 SER -1.80 1.08 1 121 ALA -4.90 0.48 1 122 THR 1.70 0.69 1 123 TYR -7.40 1.12 1 124 LEU -6.80 1.17 1 125 ARG -3.70 0.30 1 126 PHE -2.40 -0.03 1 127 ILE -2.50 0.45 1 128 ILE 1.30 0.31 1 129 VAL 3.20 -0.47 1 130 SER -3.50 -0.37 1 131 ALA -7.80 0.44 1 132 PHE 0.80 -0.46 1 133 ASP -3.80 -0.38 1 134 HIS 1.90 -0.27 1 135 PHE -4.30 0.08 1 136 ALA -5.70 0.59 1 137 SER -4.90 1.54 1 138 VAL -1.20 0.45 1 140 SER -3.30 1.06 1 141 VAL -0.70 0.58 1 142 SER -4.60 1.16 1 143 ALA -5.80 1.30 1 144 GLU -5.50 0.71 1 146 THR -4.50 0.49 1 147 VAL 1.30 -0.04 1 148 VAL 1.90 -0.17 1 149 SER -1.00 0.10 1 150 ASN 0.40 0.07 1 151 LEU 0.20 0.12 1 152 SER 0.90 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6344_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 -2.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.18 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 0.43 _LACS_plot.Y_axis_chem_shift_offset 0.79 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 ALA -2.30 2.80 0 64 HIS 6.60 -1.50 0 135 PHE -4.30 -5.70 0 18 LEU 0.10 3.50 0 11 MET -0.30 -0.70 1 12 ARG 0.10 -0.50 1 13 LYS -0.70 -0.60 1 14 ILE -1.00 -1.30 1 15 ASP -1.10 0.50 1 16 LEU -0.80 1.80 1 19 SER 3.50 0.50 1 20 SER 4.10 1.30 1 21 GLU -0.20 0.10 1 23 SER 0.80 -2.30 1 24 GLU -7.50 -2.30 1 25 VAL 1.20 -0.30 1 27 LEU 1.10 -2.10 1 29 THR 2.40 0.40 1 30 SER -2.10 -1.60 1 31 SER -0.30 -1.40 1 32 ASP -2.20 -3.10 1 33 GLU 3.00 1.00 1 34 LYS 1.10 0.00 1 38 GLU 4.60 1.10 1 39 ASN 2.10 2.50 1 40 ILE 4.00 -1.80 1 41 ILE 1.90 -1.80 1 42 ASP -0.50 0.50 1 46 GLU 0.90 1.80 1 47 THR -3.10 1.10 1 49 TRP -4.70 -0.60 1 50 THR -4.60 -3.20 1 51 THR -1.30 -0.30 1 52 THR -1.00 0.20 1 54 MET -0.50 -0.80 1 57 GLN -5.00 -2.40 1 58 GLU -8.10 -2.50 1 59 PHE -1.40 -3.40 1 60 ILE -4.60 -0.70 1 61 ILE -1.80 -2.40 1 63 PHE 2.50 -0.20 1 65 LYS -1.60 -4.30 1 66 HIS -2.00 1.00 1 67 VAL -4.20 -2.60 1 68 ARG -0.50 -1.40 1 69 ILE -0.80 -1.00 1 70 GLU -2.60 -0.20 1 71 ARG -3.50 -2.60 1 72 LEU -6.00 -2.30 1 73 VAL -2.90 -1.00 1 74 ILE -4.50 -2.50 1 77 TYR -1.60 -0.80 1 78 PHE 3.70 -0.50 1 79 VAL 4.70 -2.20 1 80 GLN 2.40 -2.50 1 81 THR 0.70 -2.60 1 82 LEU -6.80 -3.40 1 83 LYS -4.60 -2.00 1 84 ILE -2.60 -0.90 1 85 GLU -6.50 -0.70 1 86 LYS -6.30 -2.50 1 87 SER -5.00 0.00 1 88 THR 2.40 -0.10 1 89 SER 0.70 -0.40 1 90 LYS 3.30 1.60 1 93 VAL -6.60 -2.80 1 94 ASP 4.00 -0.50 1 95 PHE 1.90 0.90 1 96 GLU -5.70 -0.70 1 97 GLN 3.10 -0.90 1 98 TRP -0.50 -1.90 1 99 ILE -5.10 -1.60 1 100 GLU -3.10 -2.40 1 101 LYS -5.40 -3.60 1 102 ASP -1.50 -0.40 1 104 VAL -1.50 0.20 1 105 HIS -1.30 0.20 1 106 THR -1.30 -1.80 1 107 GLU 1.90 0.80 1 109 GLN -4.30 -1.90 1 110 LEU 0.90 0.40 1 111 GLN 0.70 -0.70 1 112 ASN -2.20 -1.30 1 113 GLU -4.10 -2.50 1 114 GLU -3.20 -1.00 1 115 ILE -3.00 -1.50 1 116 VAL 4.00 -1.70 1 117 ALA -3.20 -4.80 1 118 HIS -3.40 2.20 1 120 SER -1.80 -1.60 1 121 ALA -4.90 -2.30 1 122 THR 1.70 2.20 1 123 TYR -7.40 -0.40 1 124 LEU -6.80 -3.30 1 125 ARG -3.70 -3.60 1 126 PHE -2.40 -2.20 1 127 ILE -2.50 -0.30 1 128 ILE 1.30 -1.60 1 129 VAL 3.20 -0.90 1 130 SER -3.50 -3.10 1 131 ALA -7.80 -1.60 1 132 PHE 0.80 -2.20 1 133 ASP -3.80 -0.70 1 134 HIS 1.90 -1.30 1 136 ALA -5.70 -2.20 1 137 SER -4.90 -0.80 1 140 SER -3.30 -1.80 1 141 VAL -0.70 -2.40 1 142 SER -4.60 -1.80 1 143 ALA -5.80 -2.00 1 144 GLU -5.50 -0.30 1 146 THR -4.50 -1.90 1 147 VAL 1.30 -0.20 1 148 VAL 1.90 -0.30 1 149 SER -1.00 -0.90 1 150 ASN 0.40 -0.10 1 151 LEU 0.20 -0.60 1 stop_ save_