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 bmr18001_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.70 _LACS_plot.Line_1_terminator_val_y_1 -2.52 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 5.11 _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 50 ASP -7.00 0.30 0 10 ASP -2.50 -0.90 1 12 ILE -2.80 -0.70 1 13 GLN -1.90 -1.60 1 14 LYS -2.50 -0.70 1 15 ARG -3.40 -1.00 1 16 VAL 3.80 2.50 1 17 ILE 1.30 0.80 1 18 GLN -5.00 -1.00 1 19 GLU 0.30 0.50 1 21 ARG -3.90 -1.60 1 23 GLU -2.80 -1.80 1 24 LEU 0.50 1.00 1 26 ASP 0.60 -0.20 1 27 PHE 3.70 2.40 1 28 GLN -2.50 -0.70 1 29 ASP 3.40 2.40 1 31 THR 4.20 3.80 1 32 LYS -2.70 -1.20 1 33 ALA -4.60 -2.00 1 34 THR 0.20 0.10 1 35 PHE -4.20 -2.20 1 36 HIS -5.10 0.30 1 37 TYR -7.70 -2.20 1 38 ARG -4.70 -0.90 1 39 THR -0.80 -0.50 1 40 LEU -3.80 -1.40 1 41 HIS 0.10 2.60 1 42 SER 0.10 -0.40 1 43 ASP -0.90 -1.10 1 44 ASP 2.70 2.10 1 45 GLU 1.40 1.20 1 47 THR 3.40 2.40 1 48 VAL 1.00 0.80 1 49 LEU 0.10 1.90 1 51 ASP -3.20 -0.90 1 52 SER 7.00 4.40 1 53 ARG 5.50 3.70 1 54 ALA 3.00 1.90 1 55 ARG 0.70 0.70 1 57 LYS -2.20 -0.40 1 59 MET -0.80 -1.80 1 60 GLU -5.60 -2.60 1 61 LEU -5.30 -0.50 1 62 ILE -0.30 -1.50 1 63 ILE 2.70 -0.60 1 65 LYS 0.60 -1.50 1 66 LYS 4.30 0.00 1 67 PHE 1.50 2.00 1 68 LYS 2.60 2.00 1 69 LEU -3.70 -2.50 1 71 VAL 4.10 2.00 1 72 TRP 3.30 2.00 1 73 GLU 4.80 4.20 1 74 THR 5.30 4.30 1 76 VAL 6.20 4.00 1 78 THR -1.70 -0.70 1 79 MET -1.80 1.10 1 80 ARG -3.70 -0.90 1 81 GLU 3.30 3.50 1 83 GLU -4.60 -0.60 1 84 ILE -1.80 -0.70 1 85 ALA -6.80 -1.70 1 86 GLN -4.50 -2.10 1 87 PHE -3.60 -2.10 1 88 LEU 0.20 0.10 1 90 ASP -1.50 0.40 1 91 ILE 4.40 4.40 1 92 LYS 4.90 2.60 1 93 HIS -1.80 2.80 1 94 VAL -1.00 -1.10 1 95 VAL 4.30 3.60 1 96 LEU -0.10 -0.50 1 97 TYR 3.10 2.90 1 99 LEU 4.60 3.60 1 100 VAL 3.50 2.50 1 101 ALA 5.40 4.50 1 102 LYS 4.00 3.20 1 103 SER 3.50 2.30 1 104 LEU 2.60 2.80 1 105 ARG 1.60 1.10 1 106 ASN 1.90 1.60 1 107 ILE 0.50 0.60 1 108 ALA 0.50 0.10 1 109 VAL -0.80 -0.40 1 111 LYS -0.60 0.10 1 112 ASP 0.80 -0.10 1 114 LEU 1.00 1.10 1 115 GLU 0.20 0.30 1 117 GLN 4.80 4.00 1 119 HIS 0.90 0.60 1 123 VAL 0.60 0.50 1 124 ALA 0.50 0.50 1 125 GLN 0.30 0.50 1 127 ARG -0.10 0.30 1 128 GLU -0.80 1.40 1 129 HIS 1.90 0.00 1 130 SER -0.20 -0.10 1 131 SER 0.40 0.50 1 132 LEU -4.60 -0.20 1 134 HIS 3.70 3.10 1 135 ALA 4.90 1.80 1 136 ASP 3.00 1.90 1 137 LEU 4.80 3.50 1 138 ASP 3.90 2.70 1 139 ALA 2.00 1.80 1 140 LEU 3.50 2.90 1 141 GLN 1.50 1.50 1 142 GLN -1.20 -0.20 1 143 ASN -4.10 -0.70 1 145 GLN -7.10 -2.60 1 147 LEU -3.10 -1.60 1 148 ILE -2.70 -1.60 1 149 PHE -2.40 1.50 1 150 HIS -6.30 -1.80 1 151 MET -4.40 -2.70 1 152 GLU 2.20 -0.40 1 153 MET 2.00 1.70 1 154 LEU -3.40 -0.20 1 155 LYS -0.40 0.30 1 156 VAL -6.10 -2.00 1 157 GLU 3.40 2.00 1 158 SER 0.10 0.60 1 161 THR -4.70 -3.20 1 162 TYR -0.10 0.00 1 163 GLN -0.60 0.20 1 164 GLN 0.70 1.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18001_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.70 _LACS_plot.Line_1_terminator_val_y_1 5.18 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.68 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 -1.89 _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 50 ASP -7.00 7.30 0 10 ASP -2.50 1.60 1 12 ILE -2.80 2.10 1 13 GLN -1.90 0.30 1 14 LYS -2.50 1.80 1 15 ARG -3.40 2.40 1 16 VAL 3.80 -1.30 1 17 ILE 1.30 -0.50 1 18 GLN -5.00 4.00 1 19 GLU 0.30 0.20 1 21 ARG -3.90 2.30 1 23 GLU -2.80 1.00 1 24 LEU 0.50 0.50 1 26 ASP 0.60 -0.80 1 27 PHE 3.70 -1.30 1 28 GLN -2.50 1.80 1 29 ASP 3.40 -1.00 1 31 THR 4.20 -0.40 1 32 LYS -2.70 1.50 1 33 ALA -4.60 2.60 1 34 THR 0.20 -0.10 1 35 PHE -4.20 2.00 1 36 HIS -5.10 5.40 1 37 TYR -7.70 5.50 1 38 ARG -4.70 3.80 1 39 THR -0.80 0.30 1 40 LEU -3.80 2.40 1 41 HIS 0.10 2.50 1 42 SER 0.10 -0.50 1 43 ASP -0.90 -0.20 1 44 ASP 2.70 -0.60 1 45 GLU 1.40 -0.20 1 47 THR 3.40 -1.00 1 48 VAL 1.00 -0.20 1 49 LEU 0.10 1.80 1 51 ASP -3.20 2.30 1 52 SER 7.00 -2.60 1 53 ARG 5.50 -1.80 1 54 ALA 3.00 -1.10 1 55 ARG 0.70 0.00 1 57 LYS -2.20 1.80 1 59 MET -0.80 -1.00 1 60 GLU -5.60 3.00 1 61 LEU -5.30 4.80 1 62 ILE -0.30 -1.20 1 63 ILE 2.70 -3.30 1 65 LYS 0.60 -2.10 1 66 LYS 4.30 -4.30 1 67 PHE 1.50 0.50 1 68 LYS 2.60 -0.60 1 69 LEU -3.70 1.20 1 71 VAL 4.10 -2.10 1 72 TRP 3.30 -1.30 1 73 GLU 4.80 -0.60 1 74 THR 5.30 -1.00 1 76 VAL 6.20 -2.20 1 78 THR -1.70 1.00 1 79 MET -1.80 2.90 1 80 ARG -3.70 2.80 1 81 GLU 3.30 0.20 1 83 GLU -4.60 4.00 1 84 ILE -1.80 1.10 1 85 ALA -6.80 5.10 1 86 GLN -4.50 2.40 1 87 PHE -3.60 1.50 1 88 LEU 0.20 -0.10 1 90 ASP -1.50 1.90 1 91 ILE 4.40 0.00 1 92 LYS 4.90 -2.30 1 93 HIS -1.80 4.60 1 94 VAL -1.00 -0.10 1 95 VAL 4.30 -0.70 1 96 LEU -0.10 -0.40 1 97 TYR 3.10 -0.20 1 99 LEU 4.60 -1.00 1 100 VAL 3.50 -1.00 1 101 ALA 5.40 -0.90 1 102 LYS 4.00 -0.80 1 103 SER 3.50 -1.20 1 104 LEU 2.60 0.20 1 105 ARG 1.60 -0.50 1 106 ASN 1.90 -0.30 1 107 ILE 0.50 0.10 1 108 ALA 0.50 -0.40 1 109 VAL -0.80 0.40 1 111 LYS -0.60 0.70 1 112 ASP 0.80 -0.90 1 114 LEU 1.00 0.10 1 115 GLU 0.20 0.10 1 117 GLN 4.80 -0.80 1 119 HIS 0.90 -0.30 1 123 VAL 0.60 -0.10 1 124 ALA 0.50 0.00 1 125 GLN 0.30 0.20 1 127 ARG -0.10 0.40 1 128 GLU -0.80 2.20 1 129 HIS 1.90 -1.90 1 130 SER -0.20 0.10 1 131 SER 0.40 0.10 1 132 LEU -4.60 4.40 1 134 HIS 3.70 -0.60 1 135 ALA 4.90 -3.10 1 136 ASP 3.00 -1.10 1 137 LEU 4.80 -1.30 1 138 ASP 3.90 -1.20 1 139 ALA 2.00 -0.20 1 140 LEU 3.50 -0.60 1 141 GLN 1.50 0.00 1 142 GLN -1.20 1.00 1 143 ASN -4.10 3.40 1 145 GLN -7.10 4.50 1 147 LEU -3.10 1.50 1 148 ILE -2.70 1.10 1 149 PHE -2.40 3.90 1 150 HIS -6.30 4.50 1 151 MET -4.40 1.70 1 152 GLU 2.20 -2.60 1 153 MET 2.00 -0.30 1 154 LEU -3.40 3.20 1 155 LYS -0.40 0.70 1 156 VAL -6.10 4.10 1 157 GLU 3.40 -1.40 1 158 SER 0.10 0.50 1 161 THR -4.70 1.50 1 162 TYR -0.10 0.10 1 163 GLN -0.60 0.80 1 164 GLN 0.70 1.10 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18001_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.70 _LACS_plot.Line_1_terminator_val_y_1 0.85 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.27 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 34 THR 0.20 1.02 0 39 THR -0.80 1.13 0 37 TYR -7.70 1.69 0 10 ASP -2.50 0.57 1 12 ILE -2.80 0.71 1 13 GLN -1.90 0.23 1 14 LYS -2.50 0.37 1 15 ARG -3.40 0.13 1 16 VAL 3.80 -0.48 1 17 ILE 1.30 -0.18 1 18 GLN -5.00 0.23 1 19 GLU 0.30 -0.20 1 21 ARG -3.90 0.35 1 23 GLU -2.80 0.07 1 24 LEU 0.50 -0.38 1 26 ASP 0.60 -0.12 1 27 PHE 3.70 -0.61 1 28 GLN -2.50 0.08 1 29 ASP 3.40 -0.46 1 31 THR 4.20 0.08 1 32 LYS -2.70 0.72 1 33 ALA -4.60 1.01 1 35 PHE -4.20 0.84 1 36 HIS -5.10 0.58 1 38 ARG -4.70 1.02 1 40 LEU -3.80 0.94 1 41 HIS 0.10 -0.31 1 42 SER 0.10 -0.10 1 43 ASP -0.90 -0.03 1 44 ASP 2.70 -0.28 1 45 GLU 1.40 -0.23 1 47 THR 3.40 -0.41 1 48 VAL 1.00 0.06 1 49 LEU 0.10 0.05 1 50 ASP -7.00 0.45 1 51 ASP -3.20 0.52 1 52 SER 7.00 -0.04 1 53 ARG 5.50 -0.79 1 54 ALA 3.00 -0.22 1 55 ARG 0.70 0.09 1 57 LYS -2.20 0.24 1 59 MET -0.80 -0.13 1 60 GLU -5.60 0.84 1 61 LEU -5.30 0.18 1 62 ILE -0.30 0.69 1 63 ILE 2.70 -0.40 1 65 LYS 0.60 0.18 1 66 LYS 4.30 -0.33 1 67 PHE 1.50 -0.23 1 68 LYS 2.60 -0.61 1 69 LEU -3.70 0.22 1 71 VAL 4.10 -0.09 1 72 TRP 3.30 -0.46 1 73 GLU 4.80 -0.76 1 74 THR 5.30 -0.75 1 76 VAL 6.20 -1.08 1 78 THR -1.70 0.13 1 79 MET -1.80 0.15 1 80 ARG -3.70 0.04 1 81 GLU 3.30 -0.88 1 83 GLU -4.60 0.00 1 84 ILE -1.80 0.99 1 85 ALA -6.80 0.56 1 86 GLN -4.50 1.13 1 87 PHE -3.60 0.63 1 88 LEU 0.20 0.51 1 90 ASP -1.50 -0.12 1 91 ILE 4.40 -0.69 1 92 LYS 4.90 -0.21 1 93 HIS -1.80 0.05 1 94 VAL -1.00 0.68 1 95 VAL 4.30 -0.13 1 96 LEU -0.10 0.19 1 97 TYR 3.10 -0.41 1 99 LEU 4.60 -0.70 1 100 VAL 3.50 -0.63 1 101 ALA 5.40 -0.86 1 102 LYS 4.00 -0.12 1 103 SER 3.50 -0.14 1 104 LEU 2.60 -0.25 1 105 ARG 1.60 -0.05 1 106 ASN 1.90 -0.07 1 107 ILE 0.50 0.05 1 108 ALA 0.50 0.12 1 109 VAL -0.80 0.03 1 111 LYS -0.60 -0.09 1 112 ASP 0.80 -0.05 1 114 LEU 1.00 -0.23 1 115 GLU 0.20 0.01 1 117 GLN 4.80 -0.24 1 119 HIS 0.90 -0.05 1 123 VAL 0.60 -0.08 1 124 ALA 0.50 -0.07 1 125 GLN 0.30 -0.05 1 127 ARG -0.10 -0.15 1 128 GLU -0.80 -0.11 1 129 HIS 1.90 0.14 1 130 SER -0.20 0.05 1 131 SER 0.40 0.01 1 132 LEU -4.60 0.07 1 134 HIS 3.70 -0.10 1 135 ALA 4.90 -0.26 1 136 ASP 3.00 -0.14 1 137 LEU 4.80 -0.16 1 138 ASP 3.90 -0.13 1 139 ALA 2.00 -0.16 1 140 LEU 3.50 -0.23 1 141 GLN 1.50 -0.19 1 142 GLN -1.20 0.06 1 143 ASN -4.10 0.16 1 145 GLN -7.10 0.51 1 147 LEU -3.10 0.69 1 148 ILE -2.70 1.17 1 149 PHE -2.40 0.33 1 150 HIS -6.30 0.95 1 151 MET -4.40 0.71 1 152 GLU 2.20 0.33 1 153 MET 2.00 0.19 1 154 LEU -3.40 0.35 1 155 LYS -0.40 0.58 1 156 VAL -6.10 0.41 1 157 GLU 3.40 -0.35 1 158 SER 0.10 0.12 1 161 THR -4.70 0.39 1 162 TYR -0.10 -0.08 1 163 GLN -0.60 0.05 1 164 GLN 0.70 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18001_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.70 _LACS_plot.Line_1_terminator_val_y_1 -2.60 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.72 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 2.11 _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 164 GLN 0.70 4.60 0 93 HIS -1.80 4.30 0 10 ASP -2.50 0.70 1 12 ILE -2.80 -1.40 1 13 GLN -1.90 -1.10 1 14 LYS -2.50 -2.00 1 15 ARG -3.40 -1.40 1 16 VAL 3.80 -0.90 1 17 ILE 1.30 -0.60 1 18 GLN -5.00 -1.80 1 19 GLU 0.30 1.20 1 21 ARG -3.90 -0.10 1 23 GLU -2.80 0.40 1 24 LEU 0.50 -0.70 1 26 ASP 0.60 0.50 1 27 PHE 3.70 -1.00 1 28 GLN -2.50 0.00 1 29 ASP 3.40 0.70 1 31 THR 4.20 -2.60 1 32 LYS -2.70 -1.60 1 33 ALA -4.60 -2.70 1 34 THR 0.20 -0.90 1 35 PHE -4.20 -2.60 1 36 HIS -5.10 1.50 1 37 TYR -7.70 -1.90 1 38 ARG -4.70 -1.10 1 39 THR -0.80 -1.10 1 40 LEU -3.80 -0.90 1 41 HIS 0.10 1.60 1 42 SER 0.10 0.20 1 43 ASP -0.90 -0.10 1 44 ASP 2.70 1.10 1 45 GLU 1.40 0.70 1 47 THR 3.40 -0.20 1 48 VAL 1.00 0.50 1 49 LEU 0.10 -1.90 1 50 ASP -7.00 -2.00 1 51 ASP -3.20 0.70 1 52 SER 7.00 2.70 1 53 ARG 5.50 3.20 1 54 ALA 3.00 1.30 1 55 ARG 0.70 1.00 1 57 LYS -2.20 -1.90 1 59 MET -0.80 -2.90 1 60 GLU -5.60 -1.40 1 61 LEU -5.30 -3.40 1 62 ILE -0.30 -0.20 1 63 ILE 2.70 1.70 1 65 LYS 0.60 -0.30 1 66 LYS 4.30 -0.40 1 67 PHE 1.50 1.90 1 68 LYS 2.60 -2.70 1 71 VAL 4.10 0.50 1 72 TRP 3.30 1.60 1 73 GLU 4.80 0.50 1 76 VAL 6.20 -0.60 1 78 THR -1.70 -0.30 1 79 MET -1.80 -3.00 1 80 ARG -3.70 1.00 1 81 GLU 3.30 -0.30 1 83 GLU -4.60 -1.40 1 84 ILE -1.80 -0.70 1 85 ALA -6.80 -4.20 1 86 GLN -4.50 -1.10 1 87 PHE -3.60 -1.50 1 88 LEU 0.20 -1.00 1 90 ASP -1.50 -0.40 1 91 ILE 4.40 1.50 1 92 LYS 4.90 0.90 1 94 VAL -1.00 0.80 1 95 VAL 4.30 1.20 1 96 LEU -0.10 -0.30 1 97 TYR 3.10 2.20 1 99 LEU 4.60 1.90 1 100 VAL 3.50 1.80 1 101 ALA 5.40 1.70 1 102 LYS 4.00 2.00 1 103 SER 3.50 2.10 1 104 LEU 2.60 1.20 1 105 ARG 1.60 1.00 1 106 ASN 1.90 0.40 1 107 ILE 0.50 0.10 1 108 ALA 0.50 0.40 1 109 VAL -0.80 -0.60 1 111 LYS -0.60 0.50 1 112 ASP 0.80 0.10 1 114 LEU 1.00 0.80 1 115 GLU 0.90 0.00 1 123 VAL 0.60 0.00 1 124 ALA 0.30 0.00 1 127 ARG -0.20 0.80 1 131 SER 0.40 0.40 1 132 LEU 3.70 1.90 1 135 ALA 4.90 2.80 1 136 ASP 3.00 1.20 1 137 LEU 4.80 2.90 1 138 ASP 3.90 2.70 1 139 ALA 2.00 0.80 1 140 LEU 3.50 1.90 1 141 GLN 1.50 0.10 1 142 GLN -1.20 -3.80 1 143 ASN -7.10 -2.60 1 147 LEU -3.10 -0.90 1 148 ILE -2.70 -0.90 1 149 PHE -2.40 0.40 1 150 HIS -6.30 -2.30 1 151 MET -4.40 -1.40 1 152 GLU 2.20 -0.40 1 153 MET 2.00 0.10 1 154 LEU -3.40 -3.40 1 155 LYS -0.40 -0.80 1 156 VAL -6.10 -1.60 1 157 GLU 3.40 -1.20 1 158 SER 0.10 -1.30 1 161 THR -4.70 -1.60 1 162 TYR -0.10 -0.50 1 163 GLN -0.60 -1.40 1 stop_ save_