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 bmr6626_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.00 _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 1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 8.50 _LACS_plot.Line_2_terminator_val_y_2 6.51 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 HIS -4.00 1.40 0 10 THR -0.50 0.10 1 11 GLU 1.80 1.70 1 12 PHE 2.60 2.20 1 13 ASP 2.50 2.10 1 14 ARG 3.80 3.10 1 15 ILE 5.80 4.70 1 16 LEU 3.60 2.80 1 17 LEU 4.00 3.00 1 18 PHE 3.10 1.50 1 19 GLU 3.60 2.80 1 20 GLN 4.50 3.40 1 21 ILE 4.90 4.30 1 22 ARG 4.90 4.20 1 23 GLN 3.90 3.20 1 24 ASP 3.30 3.20 1 25 ALA 4.50 1.50 1 26 GLU 3.00 2.30 1 27 ASN 4.00 3.10 1 28 THR 6.80 5.10 1 29 TYR 2.70 3.40 1 30 LYS 3.50 2.80 1 31 SER 1.20 1.40 1 32 ASN -0.00 -0.30 1 34 LEU 0.50 -1.60 1 35 ASP -0.40 -1.00 1 36 ALA 2.30 2.30 1 37 ASP 4.90 3.80 1 38 ASN 3.80 4.30 1 39 LEU 3.40 4.50 1 40 THR 7.90 6.10 1 41 ARG 4.30 3.60 1 42 TRP -1.10 -0.20 1 45 VAL 4.10 2.60 1 46 LEU 3.90 3.30 1 47 LEU 4.40 2.90 1 48 GLU 3.90 2.80 1 49 LEU 1.20 2.30 1 50 SER 5.60 4.50 1 51 GLN 1.90 1.50 1 52 PHE 0.20 -0.30 1 54 SER -0.60 -0.20 1 55 ILE 5.60 4.80 1 56 SER 5.10 3.70 1 57 ASP 3.30 2.80 1 58 ALA 2.70 3.20 1 59 LYS 5.70 5.10 1 60 GLN 4.40 3.30 1 61 MET 3.60 4.10 1 62 ILE 5.50 4.60 1 63 GLN 5.00 3.60 1 64 GLU 3.50 2.60 1 65 ALA 4.40 3.30 1 66 ILE 7.00 6.10 1 67 THR 5.00 3.80 1 68 LYS 5.20 1.20 1 69 PHE 2.20 1.80 1 70 GLU 3.20 3.20 1 71 GLU 3.70 3.30 1 72 ALA 4.00 3.30 1 73 LEU 0.80 1.10 1 74 LEU 2.40 1.90 1 75 ILE 2.20 2.70 1 76 ASP -2.90 -1.80 1 78 LYS 0.70 -1.70 1 79 LYS 1.60 -1.30 1 80 ASP 2.90 3.10 1 81 GLU 2.70 3.30 1 82 ALA 4.40 2.70 1 83 VAL 5.10 4.40 1 84 TRP 5.60 4.50 1 86 ILE 6.90 5.50 1 88 ASN 4.60 3.00 1 89 ALA 2.70 2.90 1 90 TYR 6.70 6.10 1 91 THR 7.90 6.60 1 92 SER 5.70 4.70 1 93 PHE 3.60 3.60 1 94 ALA 4.40 3.30 1 95 PHE 5.30 4.70 1 96 LEU 0.00 -0.10 1 97 THR -2.50 -1.80 1 99 ASP -1.40 0.50 1 100 GLU 3.50 3.50 1 101 THR 6.70 4.70 1 102 GLU 2.50 2.20 1 103 ALA 6.00 3.80 1 104 LYS 4.80 3.60 1 105 HIS 3.60 4.40 1 106 ASN 3.00 4.40 1 107 PHE 4.60 2.80 1 108 ASP 5.20 3.40 1 109 LEU 4.40 2.90 1 110 ALA 4.20 3.70 1 111 THR 7.00 6.00 1 112 GLN 4.60 3.60 1 113 PHE 7.10 5.50 1 114 PHE 2.60 1.10 1 115 GLN 3.50 2.80 1 116 GLN 4.90 3.40 1 117 ALA 6.60 3.60 1 118 VAL 4.80 3.80 1 119 ASP 3.70 2.80 1 120 GLU 0.30 1.10 1 121 GLN -1.80 -1.00 1 123 ASP -1.40 -1.40 1 124 ASN 1.20 0.60 1 125 THR 4.90 3.50 1 126 HIS 3.40 3.70 1 127 TYR 2.60 -0.90 1 128 LEU 3.40 3.10 1 129 LYS 4.20 2.60 1 130 SER 7.20 4.70 1 131 LEU 2.70 2.70 1 132 GLU 3.10 2.90 1 133 MET 3.10 1.90 1 134 THR 4.60 3.80 1 135 ALA 2.20 1.90 1 136 LYS -1.20 -0.80 1 137 ALA 8.50 6.10 1 139 GLN 4.20 3.00 1 140 LEU 3.00 2.50 1 141 HIS 4.00 6.70 1 142 ALA 3.50 2.50 1 143 GLU 2.40 2.30 1 144 ALA 3.10 2.10 1 145 TYR 3.30 2.90 1 146 LYS 2.20 1.70 1 147 GLN 0.60 0.50 1 149 LEU 0.40 0.20 1 157 HIS 0.60 2.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6626_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.00 _LACS_plot.Line_1_terminator_val_y_1 1.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.88 _LACS_plot.Line_2_terminator_val_x_2 8.50 _LACS_plot.Line_2_terminator_val_y_2 -1.99 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 HIS -4.00 5.40 0 10 THR -0.50 0.60 1 11 GLU 1.80 -0.10 1 12 PHE 2.60 -0.40 1 13 ASP 2.50 -0.40 1 14 ARG 3.80 -0.70 1 15 ILE 5.80 -1.10 1 16 LEU 3.60 -0.80 1 17 LEU 4.00 -1.00 1 18 PHE 3.10 -1.60 1 19 GLU 3.60 -0.80 1 20 GLN 4.50 -1.10 1 21 ILE 4.90 -0.60 1 22 ARG 4.90 -0.70 1 23 GLN 3.90 -0.70 1 24 ASP 3.30 -0.10 1 25 ALA 4.50 -3.00 1 26 GLU 3.00 -0.70 1 27 ASN 4.00 -0.90 1 28 THR 6.80 -1.70 1 29 TYR 2.70 0.70 1 30 LYS 3.50 -0.70 1 31 SER 1.20 0.20 1 32 ASN -0.00 -0.30 1 34 LEU 0.50 -2.10 1 35 ASP -0.40 -0.60 1 36 ALA 2.30 0.00 1 37 ASP 4.90 -1.10 1 38 ASN 3.80 0.50 1 39 LEU 3.40 1.10 1 40 THR 7.90 -1.80 1 41 ARG 4.30 -0.70 1 42 TRP -1.10 0.90 1 45 VAL 4.10 -1.50 1 46 LEU 3.90 -0.60 1 47 LEU 4.40 -1.50 1 48 GLU 3.90 -1.10 1 49 LEU 1.20 1.10 1 50 SER 5.60 -1.10 1 51 GLN 1.90 -0.40 1 52 PHE 0.20 -0.50 1 54 SER -0.60 0.40 1 55 ILE 5.60 -0.80 1 56 SER 5.10 -1.40 1 57 ASP 3.30 -0.50 1 58 ALA 2.70 0.50 1 59 LYS 5.70 -0.60 1 60 GLN 4.40 -1.10 1 61 MET 3.60 0.50 1 62 ILE 5.50 -0.90 1 63 GLN 5.00 -1.40 1 64 GLU 3.50 -0.90 1 65 ALA 4.40 -1.10 1 66 ILE 7.00 -0.90 1 67 THR 5.00 -1.20 1 68 LYS 5.20 -4.00 1 69 PHE 2.20 -0.40 1 70 GLU 3.20 0.00 1 71 GLU 3.70 -0.40 1 72 ALA 4.00 -0.70 1 73 LEU 0.80 0.30 1 74 LEU 2.40 -0.50 1 75 ILE 2.20 0.50 1 76 ASP -2.90 1.10 1 78 LYS 0.70 -2.40 1 79 LYS 1.60 -2.90 1 80 ASP 2.90 0.20 1 81 GLU 2.70 0.60 1 82 ALA 4.40 -1.70 1 83 VAL 5.10 -0.70 1 84 TRP 5.60 -1.10 1 86 ILE 6.90 -1.40 1 88 ASN 4.60 -1.60 1 89 ALA 2.70 0.20 1 90 TYR 6.70 -0.60 1 91 THR 7.90 -1.30 1 92 SER 5.70 -1.00 1 93 PHE 3.60 0.00 1 94 ALA 4.40 -1.10 1 95 PHE 5.30 -0.60 1 96 LEU 0.00 -0.10 1 97 THR -2.50 0.70 1 99 ASP -1.40 1.90 1 100 GLU 3.50 0.00 1 101 THR 6.70 -2.00 1 102 GLU 2.50 -0.30 1 103 ALA 6.00 -2.20 1 104 LYS 4.80 -1.20 1 105 HIS 3.60 0.80 1 106 ASN 3.00 1.40 1 107 PHE 4.60 -1.80 1 108 ASP 5.20 -1.80 1 109 LEU 4.40 -1.50 1 110 ALA 4.20 -0.50 1 111 THR 7.00 -1.00 1 112 GLN 4.60 -1.00 1 113 PHE 7.10 -1.60 1 114 PHE 2.60 -1.50 1 115 GLN 3.50 -0.70 1 116 GLN 4.90 -1.50 1 117 ALA 6.60 -3.00 1 118 VAL 4.80 -1.00 1 119 ASP 3.70 -0.90 1 120 GLU 0.30 0.80 1 121 GLN -1.80 0.80 1 123 ASP -1.40 0.00 1 124 ASN 1.20 -0.60 1 125 THR 4.90 -1.40 1 126 HIS 3.40 0.30 1 127 TYR 2.60 -3.50 1 128 LEU 3.40 -0.30 1 129 LYS 4.20 -1.60 1 130 SER 7.20 -2.50 1 131 LEU 2.70 0.00 1 132 GLU 3.10 -0.20 1 133 MET 3.10 -1.20 1 134 THR 4.60 -0.80 1 135 ALA 2.20 -0.30 1 136 LYS -1.20 0.40 1 137 ALA 8.50 -2.40 1 139 GLN 4.20 -1.20 1 140 LEU 3.00 -0.50 1 141 HIS 4.00 2.70 1 142 ALA 3.50 -1.00 1 143 GLU 2.40 -0.10 1 144 ALA 3.10 -1.00 1 145 TYR 3.30 -0.40 1 146 LYS 2.20 -0.50 1 147 GLN 0.60 -0.10 1 149 LEU 0.40 -0.20 1 157 HIS 0.60 2.00 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6626_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.00 _LACS_plot.Line_1_terminator_val_y_1 0.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.06 _LACS_plot.Line_2_terminator_val_x_2 8.50 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _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 26 GLU 3.00 -1.77 0 10 THR -0.50 0.00 1 11 GLU 1.80 -0.27 1 12 PHE 2.60 -0.46 1 13 ASP 2.50 -0.37 1 14 ARG 3.80 -0.68 1 15 ILE 5.80 -0.86 1 16 LEU 3.60 -0.47 1 17 LEU 4.00 -0.29 1 18 PHE 3.10 -0.12 1 19 GLU 3.60 -0.05 1 20 GLN 4.50 -0.34 1 21 ILE 4.90 -0.45 1 22 ARG 4.90 -0.79 1 23 GLN 3.90 -0.51 1 24 ASP 3.30 -0.30 1 25 ALA 4.50 0.23 1 27 ASN 4.00 -0.41 1 28 THR 6.80 -0.48 1 29 TYR 2.70 -0.69 1 30 LYS 3.50 -0.47 1 31 SER 1.20 -0.09 1 32 ASN -0.00 -0.02 1 34 LEU 0.50 0.24 1 35 ASP -0.40 0.09 1 36 ALA 2.30 -0.07 1 37 ASP 4.90 -0.14 1 38 ASN 3.80 -0.34 1 39 LEU 3.40 -0.21 1 40 THR 7.90 -0.31 1 41 ARG 4.30 -0.15 1 42 TRP -1.10 -0.32 1 45 VAL 4.10 -0.07 1 46 LEU 3.90 -0.31 1 47 LEU 4.40 -0.50 1 48 GLU 3.90 -0.42 1 49 LEU 1.20 -0.08 1 50 SER 5.60 -0.60 1 51 GLN 1.90 -0.32 1 52 PHE 0.20 -0.02 1 53 HIS -4.00 -0.02 1 54 SER -0.60 -0.04 1 55 ILE 5.60 -0.39 1 56 SER 5.10 -0.39 1 57 ASP 3.30 -0.23 1 58 ALA 2.70 -0.48 1 59 LYS 5.70 -0.63 1 60 GLN 4.40 -0.27 1 61 MET 3.60 -0.53 1 62 ILE 5.50 -0.83 1 63 GLN 5.00 -0.65 1 64 GLU 3.50 -0.62 1 65 ALA 4.40 -1.10 1 66 ILE 7.00 -0.81 1 67 THR 5.00 -0.21 1 68 LYS 5.20 -0.52 1 69 PHE 2.20 -0.28 1 70 GLU 3.20 -0.49 1 71 GLU 3.70 -0.38 1 72 ALA 4.00 -0.32 1 73 LEU 0.80 -0.05 1 74 LEU 2.40 -0.20 1 75 ILE 2.20 -0.38 1 76 ASP -2.90 0.10 1 78 LYS 0.70 0.10 1 79 LYS 1.60 0.22 1 80 ASP 2.90 -0.43 1 81 GLU 2.70 0.06 1 82 ALA 4.40 -0.56 1 83 VAL 5.10 -0.68 1 84 TRP 5.60 -0.82 1 86 ILE 6.90 -1.11 1 88 ASN 4.60 -0.41 1 89 ALA 2.70 -0.50 1 90 TYR 6.70 -0.44 1 91 THR 7.90 -0.59 1 92 SER 5.70 -0.17 1 93 PHE 3.60 -0.82 1 94 ALA 4.40 -0.81 1 95 PHE 5.30 -0.12 1 96 LEU 0.00 0.01 1 97 THR -2.50 0.03 1 99 ASP -1.40 -0.28 1 100 GLU 3.50 -0.65 1 101 THR 6.70 -0.47 1 102 GLU 2.50 -0.32 1 103 ALA 6.00 -0.80 1 104 LYS 4.80 -0.29 1 105 HIS 3.60 -0.40 1 106 ASN 3.00 -0.54 1 107 PHE 4.60 -0.17 1 108 ASP 5.20 -0.27 1 109 LEU 4.40 -0.57 1 110 ALA 4.20 -0.52 1 111 THR 7.00 -0.49 1 112 GLN 4.60 -0.44 1 113 PHE 7.10 -0.64 1 114 PHE 2.60 0.16 1 115 GLN 3.50 -0.39 1 116 GLN 4.90 -0.27 1 117 ALA 6.60 -0.51 1 118 VAL 4.80 -0.44 1 119 ASP 3.70 -0.38 1 120 GLU 0.30 -0.10 1 121 GLN -1.80 0.25 1 123 ASP -1.40 0.06 1 124 ASN 1.20 -0.40 1 125 THR 4.90 -0.57 1 126 HIS 3.40 -0.40 1 127 TYR 2.60 -0.15 1 128 LEU 3.40 -0.41 1 129 LYS 4.20 -0.24 1 130 SER 7.20 -0.61 1 131 LEU 2.70 -0.26 1 132 GLU 3.10 -0.34 1 133 MET 3.10 -0.21 1 134 THR 4.60 -0.38 1 135 ALA 2.20 -0.14 1 136 LYS -1.20 0.14 1 137 ALA 8.50 -0.54 1 139 GLN 4.20 -0.12 1 140 LEU 3.00 -0.16 1 141 HIS 4.00 -0.57 1 142 ALA 3.50 0.01 1 143 GLU 2.40 -0.34 1 144 ALA 3.10 -0.31 1 145 TYR 3.30 -0.26 1 146 LYS 2.20 -0.08 1 147 GLN 0.60 -0.03 1 149 LEU 0.40 -0.06 1 157 HIS 0.60 -0.39 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6626_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.00 _LACS_plot.Line_1_terminator_val_y_1 -0.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.61 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 2.50 _LACS_plot.Y_axis_chem_shift_offset -0.87 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 LEU 0.00 -2.30 0 53 HIS -4.00 0.50 0 10 THR -0.50 0.50 1 12 PHE 2.60 1.00 1 13 ASP 2.50 1.80 1 14 ARG 3.80 0.80 1 15 ILE 5.80 1.00 1 16 LEU 3.60 2.40 1 17 LEU 4.00 2.00 1 18 PHE 3.10 2.80 1 19 GLU 3.60 2.80 1 20 GLN 4.50 2.70 1 21 ILE 4.90 1.90 1 22 ARG 4.90 0.80 1 23 GLN 3.90 2.60 1 24 ASP 3.30 2.60 1 25 ALA 4.50 2.70 1 26 GLU 3.00 2.40 1 27 ASN 4.00 3.70 1 28 THR 6.80 0.70 1 29 TYR 2.70 0.00 1 30 LYS 3.50 1.70 1 31 SER 1.20 0.00 1 32 ASN -0.00 -1.40 1 34 LEU 0.50 -1.60 1 35 ASP -0.40 1.10 1 36 ALA 2.30 2.30 1 37 ASP 4.90 2.70 1 38 ASN 3.80 2.20 1 39 LEU 3.40 0.60 1 40 THR 7.90 2.30 1 41 ARG 4.30 2.20 1 42 TRP -1.10 2.60 1 45 VAL 4.10 1.00 1 46 LEU 3.90 1.60 1 47 LEU 4.40 3.80 1 48 GLU 3.90 3.00 1 49 LEU 1.20 2.50 1 50 SER 5.60 0.50 1 51 GLN 1.90 0.10 1 52 PHE 0.20 -0.90 1 54 SER -0.60 -0.50 1 55 ILE 5.60 1.00 1 56 SER 5.10 3.00 1 57 ASP 3.30 2.00 1 58 ALA 2.70 1.90 1 59 LYS 5.70 2.10 1 60 GLN 4.40 2.60 1 61 MET 3.60 1.70 1 62 ILE 5.50 1.20 1 64 GLU 3.50 2.90 1 65 ALA 4.40 0.40 1 66 ILE 7.00 1.00 1 67 THR 5.00 2.70 1 68 LYS 5.20 2.10 1 69 PHE 2.20 2.50 1 70 GLU 3.20 3.10 1 71 GLU 3.70 2.50 1 72 ALA 4.00 1.30 1 73 LEU 0.80 1.60 1 74 LEU 2.40 1.90 1 75 ILE 2.20 0.40 1 76 ASP -2.90 -0.40 1 78 LYS 0.70 -0.30 1 79 LYS 1.60 -1.10 1 80 ASP 2.90 0.40 1 81 GLU 2.70 2.50 1 82 ALA 4.40 0.30 1 83 VAL 5.10 1.20 1 84 TRP 5.60 1.90 1 86 ILE 6.90 1.50 1 88 ASN 4.60 2.40 1 89 ALA 2.70 1.00 1 90 TYR 6.70 2.80 1 91 THR 7.90 0.80 1 93 PHE 3.60 3.20 1 94 ALA 4.40 1.60 1 95 PHE 5.30 1.40 1 99 ASP -1.40 -0.10 1 100 GLU 3.50 1.70 1 101 THR 6.70 2.00 1 102 GLU 2.50 3.40 1 103 ALA 6.00 0.60 1 104 LYS 4.80 1.10 1 105 HIS 3.60 3.30 1 106 ASN 3.00 2.00 1 107 PHE 4.60 3.10 1 108 ASP 5.20 3.30 1 109 LEU 4.40 1.00 1 110 ALA 4.20 0.90 1 111 THR 7.00 0.50 1 112 GLN 4.60 3.40 1 113 PHE 7.10 2.20 1 114 PHE 2.60 3.90 1 115 GLN 3.50 1.10 1 116 GLN 4.90 2.10 1 117 ALA 6.60 1.00 1 118 VAL 4.80 0.70 1 119 ASP 3.70 3.10 1 120 GLU 0.30 1.00 1 123 ASP -1.40 -0.10 1 124 ASN 1.20 0.60 1 125 THR 4.90 1.60 1 126 HIS 3.40 4.30 1 127 TYR 2.60 3.50 1 128 LEU 3.40 2.00 1 129 LYS 4.20 2.50 1 130 SER 7.20 1.20 1 131 LEU 2.70 1.80 1 132 GLU 3.10 3.00 1 133 MET 3.10 2.90 1 134 THR 4.60 2.10 1 135 ALA 2.20 1.00 1 136 LYS -1.20 -0.10 1 139 GLN 4.20 2.30 1 140 LEU 3.00 2.40 1 141 HIS 4.00 2.20 1 142 ALA 3.50 3.20 1 143 GLU 2.40 1.80 1 144 ALA 3.10 1.80 1 145 TYR 3.30 1.20 1 146 LYS 2.20 0.90 1 147 GLN 0.60 0.70 1 stop_ save_