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 bmr15646_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.00 _LACS_plot.Line_1_terminator_val_y_1 -1.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -1.63 _LACS_plot.Line_2_terminator_val_x_2 7.59 _LACS_plot.Line_2_terminator_val_y_2 5.51 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 HIS 4.90 7.20 0 10 PHE 4.70 3.50 1 11 PHE 6.30 4.10 1 12 GLU 3.90 2.90 1 13 GLN 4.10 2.90 1 14 VAL 5.90 4.10 1 15 GLU 3.20 2.00 1 16 GLU 2.60 2.20 1 17 ILE 6.20 4.60 1 18 ARG 5.30 3.90 1 20 PHE 2.10 0.90 1 21 ILE 6.70 5.30 1 22 ASP 4.60 3.20 1 23 LYS 3.80 2.00 1 24 ILE 6.50 5.30 1 25 ALA 4.50 3.10 1 26 GLU 3.00 2.40 1 27 ASN 3.60 2.50 1 28 VAL 7.10 4.80 1 29 GLU 3.40 2.00 1 30 GLU 3.20 2.20 1 31 VAL 7.60 4.80 1 32 LYS 4.80 4.10 1 33 ARG 4.50 3.50 1 34 LYS 3.80 2.00 1 35 HIS -0.00 2.30 1 36 SER 4.70 3.10 1 37 ALA 2.80 1.90 1 38 ILE 4.10 3.50 1 39 LEU 2.00 1.10 1 40 ALA 0.60 0.40 1 41 SER -3.00 -1.50 1 43 ASN -1.20 -1.00 1 45 ASP -1.00 -0.40 1 46 GLU 3.00 2.40 1 47 LYS 4.20 2.40 1 48 THR 6.70 4.30 1 49 LYS 5.40 3.90 1 50 GLU 3.20 2.60 1 51 GLU 3.20 2.40 1 52 LEU 4.20 2.80 1 53 GLU 4.00 2.80 1 54 GLU 3.20 2.20 1 55 LEU 2.60 3.00 1 56 MET 4.80 4.30 1 57 SER 4.80 3.20 1 58 ASP 3.70 3.60 1 59 ILE 6.40 5.20 1 60 LYS 5.20 3.90 1 61 LYS 3.90 3.20 1 62 THR 7.60 5.00 1 63 ALA 4.10 2.90 1 64 ASN 4.10 3.50 1 65 LYS 4.30 3.00 1 66 VAL 7.00 5.00 1 67 ARG 5.10 3.70 1 68 SER 4.20 3.10 1 69 LYS 4.20 3.00 1 70 LEU 4.40 2.80 1 71 LYS 4.50 2.10 1 72 SER 4.90 3.30 1 73 ILE 4.50 3.70 1 74 GLU 3.20 2.80 1 75 GLN 3.90 2.70 1 76 SER 4.20 2.70 1 77 ILE 5.10 3.90 1 78 GLU 2.80 2.20 1 79 GLN 2.80 1.80 1 80 GLU 1.90 1.30 1 81 GLU 2.40 2.00 1 83 LEU -0.10 -0.20 1 84 ASN 1.90 0.60 1 85 ARG 1.10 0.40 1 86 SER -0.20 -0.40 1 88 ALA 3.70 2.50 1 89 ASP 3.20 2.50 1 90 LEU 3.60 2.40 1 91 ARG 5.20 3.60 1 92 ILE 4.50 3.30 1 93 ARG 4.40 3.50 1 94 LYS 4.60 3.90 1 95 THR 6.10 4.60 1 96 GLN 4.30 2.70 1 98 SER 4.60 3.30 1 99 THR 5.90 4.60 1 100 LEU 1.80 2.20 1 102 ARG 4.60 3.00 1 103 LYS 3.50 2.00 1 104 PHE 3.00 2.00 1 105 VAL 6.00 4.20 1 106 GLU 3.90 3.30 1 107 VAL 4.50 3.10 1 108 MET 5.00 0.60 1 109 SER 5.30 3.50 1 110 GLU 3.80 2.30 1 111 TYR 3.40 1.50 1 112 ASN 3.80 3.30 1 113 ALA 4.00 2.60 1 114 THR 6.20 4.60 1 115 GLN 3.80 3.20 1 116 SER 4.90 3.30 1 117 ASP 2.80 3.30 1 118 TYR 3.70 2.80 1 123 LYS 4.40 3.90 1 125 ARG 3.50 1.10 1 129 GLN -2.80 0.10 1 130 LEU 1.20 0.40 1 131 GLU 0.60 0.40 1 132 ILE 1.50 0.80 1 133 THR -0.40 -0.30 1 137 THR -2.40 -0.70 1 138 THR -2.10 -1.00 1 148 SER 1.50 1.80 1 150 ASN -2.90 -2.80 1 152 ALA 1.00 0.40 1 153 ILE 2.00 1.10 1 156 SER 0.80 1.00 1 158 ILE 0.60 0.00 1 159 ILE 1.00 -0.30 1 160 MET 0.50 -0.30 1 161 ASP 0.20 0.10 1 193 PHE 1.60 1.10 1 194 MET 4.00 1.80 1 195 ASP 2.20 1.40 1 196 MET 1.80 1.40 1 197 ALA 1.95 1.15 1 198 MET 1.70 0.90 1 199 LEU 1.80 0.90 1 200 VAL 1.60 0.80 1 201 GLU 0.70 0.50 1 202 SER 0.40 0.50 1 203 GLN 0.90 0.40 1 205 GLU -0.30 -0.20 1 206 MET 0.70 0.10 1 207 ILE 1.40 1.70 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15646_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.00 _LACS_plot.Line_1_terminator_val_y_1 1.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.37 _LACS_plot.Line_2_terminator_val_x_2 7.59 _LACS_plot.Line_2_terminator_val_y_2 -2.08 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 HIS 4.90 2.30 0 10 PHE 4.70 -1.20 1 11 PHE 6.30 -2.20 1 12 GLU 3.90 -1.00 1 13 GLN 4.10 -1.20 1 14 VAL 5.90 -1.80 1 15 GLU 3.20 -1.20 1 16 GLU 2.60 -0.40 1 17 ILE 6.20 -1.60 1 18 ARG 5.30 -1.40 1 20 PHE 2.10 -1.20 1 21 ILE 6.70 -1.40 1 22 ASP 4.60 -1.40 1 23 LYS 3.80 -1.80 1 24 ILE 6.50 -1.20 1 25 ALA 4.50 -1.40 1 26 GLU 3.00 -0.60 1 27 ASN 3.60 -1.10 1 28 VAL 7.10 -2.30 1 29 GLU 3.40 -1.40 1 30 GLU 3.20 -1.00 1 31 VAL 7.60 -2.80 1 32 LYS 4.80 -0.70 1 33 ARG 4.50 -1.00 1 34 LYS 3.80 -1.80 1 35 HIS -0.00 2.30 1 36 SER 4.70 -1.60 1 37 ALA 2.80 -0.90 1 38 ILE 4.10 -0.60 1 39 LEU 2.00 -0.90 1 40 ALA 0.60 -0.20 1 41 SER -3.00 1.50 1 43 ASN -1.20 0.20 1 45 ASP -1.00 0.60 1 46 GLU 3.00 -0.60 1 47 LYS 4.20 -1.80 1 48 THR 6.70 -2.40 1 49 LYS 5.40 -1.50 1 50 GLU 3.20 -0.60 1 51 GLU 3.20 -0.80 1 52 LEU 4.20 -1.40 1 53 GLU 4.00 -1.20 1 54 GLU 3.20 -1.00 1 55 LEU 2.60 0.40 1 56 MET 4.80 -0.50 1 57 SER 4.80 -1.60 1 58 ASP 3.70 -0.10 1 59 ILE 6.40 -1.20 1 60 LYS 5.20 -1.30 1 61 LYS 3.90 -0.70 1 62 THR 7.60 -2.60 1 63 ALA 4.10 -1.20 1 64 ASN 4.10 -0.60 1 65 LYS 4.30 -1.30 1 66 VAL 7.00 -2.00 1 67 ARG 5.10 -1.40 1 68 SER 4.20 -1.10 1 69 LYS 4.20 -1.20 1 70 LEU 4.40 -1.60 1 71 LYS 4.50 -2.40 1 72 SER 4.90 -1.60 1 73 ILE 4.50 -0.80 1 74 GLU 3.20 -0.40 1 75 GLN 3.90 -1.20 1 76 SER 4.20 -1.50 1 77 ILE 5.10 -1.20 1 78 GLU 2.80 -0.60 1 79 GLN 2.80 -1.00 1 80 GLU 1.90 -0.60 1 81 GLU 2.40 -0.40 1 83 LEU -0.10 -0.10 1 84 ASN 1.90 -1.30 1 85 ARG 1.10 -0.70 1 86 SER -0.20 -0.20 1 88 ALA 3.70 -1.20 1 89 ASP 3.20 -0.70 1 90 LEU 3.60 -1.20 1 91 ARG 5.20 -1.60 1 92 ILE 4.50 -1.20 1 93 ARG 4.40 -0.90 1 94 LYS 4.60 -0.70 1 95 THR 6.10 -1.50 1 96 GLN 4.30 -1.60 1 98 SER 4.60 -1.30 1 99 THR 5.90 -1.30 1 100 LEU 1.80 0.40 1 102 ARG 4.60 -1.60 1 103 LYS 3.50 -1.50 1 104 PHE 3.00 -1.00 1 105 VAL 6.00 -1.80 1 106 GLU 3.90 -0.60 1 107 VAL 4.50 -1.40 1 108 MET 5.00 -4.40 1 109 SER 5.30 -1.80 1 110 GLU 3.80 -1.50 1 111 TYR 3.40 -1.90 1 112 ASN 3.80 -0.50 1 113 ALA 4.00 -1.40 1 114 THR 6.20 -1.60 1 115 GLN 3.80 -0.60 1 116 SER 4.90 -1.60 1 117 ASP 2.80 0.50 1 118 TYR 3.70 -0.90 1 123 LYS 4.40 -0.50 1 125 ARG 3.50 -2.40 1 129 GLN -2.80 2.90 1 130 LEU 1.20 -0.80 1 131 GLU 0.60 -0.20 1 132 ILE 1.50 -0.70 1 133 THR -0.40 0.10 1 137 THR -2.40 1.70 1 138 THR -2.10 1.10 1 148 SER 1.50 0.30 1 150 ASN -2.90 0.10 1 152 ALA 1.00 -0.60 1 153 ILE 2.00 -0.90 1 156 SER 0.80 0.20 1 158 ILE 0.60 -0.60 1 159 ILE 1.00 -1.30 1 160 MET 0.50 -0.80 1 161 ASP 0.20 -0.10 1 193 PHE 1.60 -0.50 1 194 MET 4.00 -2.20 1 195 ASP 2.20 -0.80 1 196 MET 1.80 -0.40 1 197 ALA 1.95 -0.80 1 198 MET 1.70 -0.80 1 199 LEU 1.80 -0.90 1 200 VAL 1.60 -0.80 1 201 GLU 0.70 -0.20 1 202 SER 0.40 0.10 1 203 GLN 0.90 -0.50 1 205 GLU -0.30 0.10 1 206 MET 0.70 -0.60 1 207 ILE 1.40 0.30 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15646_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.00 _LACS_plot.Line_1_terminator_val_y_1 0.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 7.59 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 35 HIS -0.00 -0.72 0 10 PHE 4.70 -0.44 1 11 PHE 6.30 -0.57 1 12 GLU 3.90 -0.28 1 13 GLN 4.10 -0.24 1 14 VAL 5.90 -0.86 1 15 GLU 3.20 -0.34 1 16 GLU 2.60 -0.61 1 17 ILE 6.20 -0.67 1 18 ARG 5.30 -0.64 1 20 PHE 2.10 0.01 1 21 ILE 6.70 -0.52 1 23 LYS 3.80 -0.13 1 24 ILE 6.50 -0.65 1 25 ALA 4.50 -0.40 1 26 GLU 3.00 -0.26 1 27 ASN 3.60 -0.20 1 28 VAL 7.10 -0.75 1 29 GLU 3.40 -0.35 1 30 GLU 3.20 -0.25 1 31 VAL 7.60 -1.06 1 32 LYS 4.80 -0.49 1 33 ARG 4.50 -0.23 1 36 SER 4.70 -0.30 1 37 ALA 2.80 -0.11 1 38 ILE 4.10 -0.38 1 39 LEU 2.00 -0.19 1 40 ALA 0.60 -0.08 1 41 SER -3.00 0.18 1 43 ASN -1.20 0.04 1 45 ASP -1.00 -0.08 1 46 GLU 3.00 -0.41 1 47 LYS 4.20 -0.19 1 48 THR 6.70 -0.36 1 49 LYS 5.40 -0.42 1 50 GLU 3.20 -0.27 1 51 GLU 3.20 -0.27 1 52 LEU 4.20 -0.26 1 53 GLU 4.00 -0.29 1 54 GLU 3.20 -0.26 1 55 LEU 2.60 -0.29 1 56 MET 4.80 -0.57 1 57 SER 4.80 -0.16 1 58 ASP 3.70 -0.18 1 59 ILE 6.40 -0.65 1 60 LYS 5.20 -0.42 1 61 LYS 3.90 -0.27 1 62 THR 7.60 -0.81 1 63 ALA 4.10 -0.23 1 64 ASN 4.10 -0.22 1 65 LYS 4.30 -0.26 1 66 VAL 7.00 -0.91 1 67 ARG 5.10 -0.60 1 68 SER 4.20 -0.25 1 69 LYS 4.20 -0.24 1 70 LEU 4.40 -0.20 1 71 LYS 4.50 -0.11 1 72 SER 4.90 -0.13 1 73 ILE 4.50 -0.24 1 74 GLU 3.20 -0.96 1 75 GLN 3.90 -0.22 1 76 SER 4.20 -0.15 1 77 ILE 5.10 -0.61 1 78 GLU 2.80 -0.28 1 79 GLN 2.80 -0.23 1 80 GLU 1.90 -0.25 1 81 GLU 2.40 -0.35 1 83 LEU -0.10 0.01 1 84 ASN 1.90 -0.13 1 89 ASP 3.20 -0.18 1 90 LEU 3.60 -0.43 1 91 ARG 5.20 -0.32 1 92 ILE 4.50 -0.28 1 93 ARG 4.40 -0.50 1 94 LYS 4.60 -0.29 1 95 THR 6.10 -0.24 1 96 GLN 4.30 -0.12 1 97 HIS 4.90 -0.76 1 98 SER 4.60 -0.28 1 99 THR 5.90 -0.37 1 100 LEU 1.80 -0.35 1 102 ARG 4.60 -0.29 1 103 LYS 3.50 -0.11 1 105 VAL 6.00 -0.85 1 106 GLU 3.90 -0.34 1 107 VAL 4.50 -0.08 1 109 SER 5.30 -0.22 1 110 GLU 3.80 -0.02 1 111 TYR 3.40 -0.11 1 112 ASN 3.80 -0.61 1 113 ALA 4.00 -0.16 1 114 THR 6.20 -0.13 1 116 SER 4.90 -0.35 1 117 ASP 2.80 -0.23 1 118 TYR 3.70 -0.30 1 125 ARG 3.50 -0.16 1 148 SER 1.50 -0.26 1 150 ASN -2.90 0.29 1 152 ALA 1.00 0.06 1 153 ILE 2.00 -0.30 1 158 ILE 0.60 0.00 1 159 ILE 1.00 -0.01 1 160 MET 0.50 0.04 1 195 ASP 2.20 -0.19 1 197 ALA 1.95 -0.14 1 198 MET 1.70 -0.11 1 199 LEU 1.80 0.00 1 201 GLU 0.70 -0.08 1 202 SER 0.40 -0.05 1 203 GLN 0.90 0.02 1 205 GLU -0.30 -0.07 1 206 MET 0.70 0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15646_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.80 _LACS_plot.Line_1_terminator_val_y_1 -0.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.38 _LACS_plot.Line_2_terminator_val_x_2 7.59 _LACS_plot.Line_2_terminator_val_y_2 3.51 _LACS_plot.Y_axis_chem_shift_offset -0.82 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 ILE 1.50 -1.50 0 31 VAL 7.60 0.90 0 129 GLN -2.80 0.70 0 138 THR -2.10 2.30 0 35 HIS -0.00 4.20 0 10 PHE 4.70 1.80 1 11 PHE 6.30 3.40 1 12 GLU 3.90 3.40 1 13 GLN 4.10 3.40 1 14 VAL 5.90 1.50 1 15 GLU 3.20 3.20 1 16 GLU 2.60 2.60 1 17 ILE 6.20 1.60 1 18 ARG 5.30 2.70 1 20 PHE 2.10 2.80 1 21 ILE 6.70 1.50 1 22 ASP 4.60 3.20 1 23 LYS 3.80 2.80 1 24 ILE 6.50 1.70 1 25 ALA 4.50 3.40 1 26 GLU 3.00 3.40 1 27 ASN 3.60 2.90 1 28 VAL 7.10 1.60 1 29 GLU 3.40 3.20 1 30 GLU 3.20 2.70 1 32 LYS 4.80 4.10 1 33 ARG 4.50 4.20 1 34 LYS 3.80 2.50 1 36 SER 4.70 2.70 1 37 ALA 2.80 3.50 1 38 ILE 4.10 2.00 1 39 LEU 2.00 0.60 1 40 ALA 0.60 -0.20 1 45 ASP -1.00 0.40 1 46 GLU 3.00 2.50 1 47 LYS 4.20 2.20 1 48 THR 6.70 2.30 1 49 LYS 5.40 2.80 1 50 GLU 3.20 3.40 1 51 GLU 3.20 4.00 1 52 LEU 4.20 0.40 1 53 GLU 4.00 3.50 1 54 GLU 3.20 3.00 1 55 LEU 2.60 2.20 1 56 MET 4.80 3.70 1 57 SER 4.80 2.40 1 58 ASP 3.70 4.30 1 59 ILE 6.40 0.70 1 60 LYS 5.20 2.40 1 61 LYS 3.90 4.10 1 62 THR 7.60 1.50 1 63 ALA 4.10 1.70 1 64 ASN 4.10 3.30 1 65 LYS 4.30 2.40 1 66 VAL 7.00 1.10 1 67 ARG 5.10 3.00 1 68 SER 4.20 3.20 1 69 LYS 4.20 3.80 1 70 LEU 4.40 2.20 1 71 LYS 4.50 2.60 1 72 SER 4.90 3.80 1 73 ILE 4.50 2.00 1 74 GLU 3.20 2.20 1 75 GLN 3.90 2.80 1 76 SER 4.20 2.60 1 77 ILE 5.10 1.20 1 78 GLU 2.80 3.20 1 79 GLN 2.80 2.40 1 80 GLU 1.90 2.30 1 81 GLU 2.40 2.40 1 83 LEU -0.10 0.10 1 84 ASN 1.90 0.00 1 85 ARG 1.10 0.30 1 88 ALA 3.70 2.30 1 89 ASP 3.20 2.20 1 90 LEU 3.60 1.20 1 91 ARG 5.20 3.60 1 92 ILE 4.50 2.30 1 93 ARG 4.40 2.60 1 94 LYS 4.60 3.50 1 95 THR 6.10 3.20 1 96 GLN 4.30 2.60 1 97 HIS 4.90 4.60 1 98 SER 4.60 2.80 1 99 THR 5.90 2.60 1 100 LEU 1.80 0.80 1 102 ARG 4.60 2.60 1 103 LYS 3.50 2.30 1 104 PHE 3.00 1.20 1 105 VAL 6.00 3.10 1 106 GLU 3.90 3.60 1 107 VAL 4.50 2.50 1 108 MET 5.00 4.00 1 109 SER 5.30 3.00 1 110 GLU 3.80 3.80 1 111 TYR 3.40 1.90 1 112 ASN 3.80 3.10 1 113 ALA 4.00 2.90 1 114 THR 6.20 2.60 1 115 GLN 3.80 2.60 1 116 SER 4.90 2.20 1 117 ASP 2.80 1.90 1 123 LYS 4.40 1.90 1 125 ARG 3.50 2.80 1 130 LEU 1.20 0.50 1 131 GLU 0.60 0.60 1 133 THR -0.40 0.30 1 137 THR -2.40 0.20 1 148 SER 1.50 1.50 1 152 ALA 1.00 1.50 1 156 SER 0.80 0.90 1 158 ILE 0.60 -0.20 1 159 ILE 1.00 0.20 1 160 MET 0.50 -0.30 1 193 PHE 1.60 1.30 1 194 MET 4.00 1.30 1 195 ASP 2.20 1.60 1 196 MET 1.80 0.80 1 197 ALA 1.95 1.00 1 198 MET 1.70 1.00 1 199 LEU 1.80 0.60 1 200 VAL 1.60 0.80 1 201 GLU 0.70 0.70 1 202 SER 0.40 0.50 1 203 GLN 0.90 0.90 1 205 GLU -0.30 0.10 1 206 MET 0.70 -0.90 1 stop_ save_