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 bmr4717_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.00 _LACS_plot.Line_1_terminator_val_y_1 -2.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.59 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 5.81 _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 121 ARG 7.40 2.20 0 86 MET -7.10 -1.00 0 10 VAL -1.80 -0.80 1 11 ILE -0.90 -2.70 1 12 ILE -3.20 -0.10 1 13 MET -3.70 -0.50 1 14 ASN -5.20 -0.50 1 15 VAL 0.10 -0.20 1 16 ALA -8.00 -2.70 1 17 ALA -1.90 -1.10 1 18 HIS 1.60 1.80 1 19 HIS 3.40 2.90 1 21 SER -3.20 -1.30 1 22 GLU -4.90 -1.00 1 23 LEU -1.20 -1.30 1 24 ASN 0.20 1.30 1 26 GLU 4.20 3.50 1 27 LEU 2.70 2.30 1 28 LEU 3.30 3.10 1 29 LEU 5.20 3.30 1 30 ASN 4.20 3.60 1 31 SER 4.60 4.00 1 32 ILE 5.20 4.70 1 33 GLN 4.40 3.40 1 34 GLN 3.80 2.80 1 35 ALA 0.30 -0.50 1 37 PHE 0.30 1.20 1 38 ILE -4.30 -1.80 1 39 PHE 2.20 1.70 1 41 ASP 2.20 2.00 1 42 MET 5.40 1.50 1 43 ASN 5.40 2.10 1 44 ILE -2.30 -1.10 1 45 TYR -3.50 0.50 1 46 HIS -4.50 0.40 1 47 ARG -1.90 -2.10 1 48 HIS -1.10 -0.50 1 49 LEU 2.10 3.10 1 50 SER -2.20 -1.60 1 52 ASP 0.50 -0.70 1 54 SER -0.30 0.30 1 57 ALA 0.30 -0.50 1 58 LEU -0.80 0.80 1 59 PHE -2.60 -2.10 1 60 SER -1.90 0.30 1 61 LEU -4.30 -0.10 1 62 ALA -7.40 -2.90 1 63 ASN 0.20 -0.50 1 64 MET 2.50 3.60 1 65 VAL -0.10 -0.60 1 66 LYS 2.70 1.60 1 69 THR -2.80 -1.60 1 70 PHE -4.50 -1.00 1 71 ASP -2.90 -1.70 1 73 GLU -0.20 -0.60 1 74 MET 0.60 0.10 1 75 LYS -0.60 0.00 1 76 ASP 0.50 -0.60 1 77 PHE -3.10 -1.70 1 78 THR -4.00 -1.90 1 79 THR -2.60 -3.40 1 82 VAL -5.80 -3.50 1 83 THR -2.40 -0.30 1 84 ILE -2.50 -1.30 1 85 PHE -6.20 -3.00 1 87 GLN -0.40 0.10 1 88 VAL -3.10 -1.70 1 90 SER -2.50 -1.40 1 91 TYR -0.10 0.90 1 93 ASP -1.30 -1.10 1 94 GLU 4.90 5.00 1 95 LEU 4.40 2.90 1 96 GLN 4.20 2.70 1 97 ASN 4.00 2.80 1 98 PHE 4.10 3.50 1 99 LYS 5.00 3.70 1 100 LEU 2.90 2.30 1 101 MET 5.10 4.50 1 102 LEU 3.40 2.60 1 103 GLN 3.90 3.20 1 104 SER 5.50 4.70 1 105 ALA 3.80 2.90 1 106 GLN 3.40 2.60 1 107 HIS 4.40 3.90 1 108 ILE 4.70 4.30 1 109 ALA 4.70 3.70 1 110 ASP 3.60 2.90 1 111 GLU 2.60 2.40 1 112 VAL -1.20 -1.80 1 115 VAL -5.30 -2.60 1 116 VAL 1.90 0.50 1 117 LEU -7.70 -3.40 1 118 ASP -3.30 -1.90 1 119 ASP 3.30 1.80 1 120 GLN -0.60 -1.20 1 122 ARG -2.10 -1.80 1 123 MET 2.40 1.60 1 124 MET 2.00 0.50 1 125 THR -2.20 -1.40 1 127 GLN 5.70 3.70 1 128 LYS 2.60 0.60 1 129 LEU 4.40 3.60 1 130 ARG 4.50 3.10 1 131 GLU 3.70 3.10 1 132 TYR 1.70 1.50 1 133 GLN 4.50 4.00 1 134 ASP 4.60 3.30 1 135 ILE 5.40 4.40 1 136 ILE 6.40 5.40 1 137 ARG 4.60 4.00 1 138 GLU 3.40 3.00 1 139 VAL 4.80 3.20 1 140 LYS 5.00 3.00 1 141 ASP 3.00 2.30 1 142 ALA 0.80 1.30 1 143 ASN -1.40 0.40 1 144 ALA 1.20 1.90 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4717_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.00 _LACS_plot.Line_1_terminator_val_y_1 5.19 _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 0.41 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 -1.59 _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 121 ARG 7.40 -5.20 0 86 MET -7.10 6.10 0 10 VAL -1.80 1.00 1 11 ILE -0.90 -1.80 1 12 ILE -3.20 3.10 1 13 MET -3.70 3.20 1 14 ASN -5.20 4.70 1 15 VAL 0.10 -0.30 1 16 ALA -8.00 5.30 1 17 ALA -1.90 0.80 1 18 HIS 1.60 0.20 1 19 HIS 3.40 -0.50 1 21 SER -3.20 1.90 1 22 GLU -4.90 3.90 1 23 LEU -1.20 -0.10 1 24 ASN 0.20 1.10 1 26 GLU 4.20 -0.70 1 27 LEU 2.70 -0.40 1 28 LEU 3.30 -0.20 1 29 LEU 5.20 -1.90 1 30 ASN 4.20 -0.60 1 31 SER 4.60 -0.60 1 32 ILE 5.20 -0.50 1 33 GLN 4.40 -1.00 1 34 GLN 3.80 -1.00 1 35 ALA 0.30 -0.80 1 37 PHE 0.30 0.90 1 38 ILE -4.30 2.50 1 39 PHE 2.20 -0.50 1 41 ASP 2.20 -0.20 1 42 MET 5.40 -3.90 1 43 ASN 5.40 -3.30 1 44 ILE -2.30 1.20 1 45 TYR -3.50 4.00 1 46 HIS -4.50 4.90 1 47 ARG -1.90 -0.20 1 48 HIS -1.10 0.60 1 49 LEU 2.10 1.00 1 50 SER -2.20 0.60 1 52 ASP 0.50 -1.20 1 54 SER -0.30 0.60 1 57 ALA 0.30 -0.80 1 58 LEU -0.80 1.60 1 59 PHE -2.60 0.50 1 60 SER -1.90 2.20 1 61 LEU -4.30 4.20 1 62 ALA -7.40 4.50 1 63 ASN 0.20 -0.70 1 64 MET 2.50 1.10 1 65 VAL -0.10 -0.50 1 66 LYS 2.70 -1.10 1 69 THR -2.80 1.20 1 70 PHE -4.50 3.50 1 71 ASP -2.90 1.20 1 73 GLU -0.20 -0.40 1 74 MET 0.60 -0.50 1 75 LYS -0.60 0.60 1 76 ASP 0.50 -1.10 1 77 PHE -3.10 1.40 1 78 THR -4.00 2.10 1 79 THR -2.60 -0.80 1 82 VAL -5.80 2.30 1 83 THR -2.40 2.10 1 84 ILE -2.50 1.20 1 85 PHE -6.20 3.20 1 87 GLN -0.40 0.50 1 88 VAL -3.10 1.40 1 90 SER -2.50 1.10 1 91 TYR -0.10 1.00 1 93 ASP -1.30 0.20 1 94 GLU 4.90 0.10 1 95 LEU 4.40 -1.50 1 96 GLN 4.20 -1.50 1 97 ASN 4.00 -1.20 1 98 PHE 4.10 -0.60 1 99 LYS 5.00 -1.30 1 100 LEU 2.90 -0.60 1 101 MET 5.10 -0.60 1 102 LEU 3.40 -0.80 1 103 GLN 3.90 -0.70 1 104 SER 5.50 -0.80 1 105 ALA 3.80 -0.90 1 106 GLN 3.40 -0.80 1 107 HIS 4.40 -0.50 1 108 ILE 4.70 -0.40 1 109 ALA 4.70 -1.00 1 110 ASP 3.60 -0.70 1 111 GLU 2.60 -0.20 1 112 VAL -1.20 -0.60 1 115 VAL -5.30 2.70 1 116 VAL 1.90 -1.40 1 117 LEU -7.70 4.30 1 118 ASP -3.30 1.40 1 119 ASP 3.30 -1.50 1 120 GLN -0.60 -0.60 1 122 ARG -2.10 0.30 1 123 MET 2.40 -0.80 1 124 MET 2.00 -1.50 1 125 THR -2.20 0.80 1 127 GLN 5.70 -2.00 1 128 LYS 2.60 -2.00 1 129 LEU 4.40 -0.80 1 130 ARG 4.50 -1.40 1 131 GLU 3.70 -0.60 1 132 TYR 1.70 -0.20 1 133 GLN 4.50 -0.50 1 134 ASP 4.60 -1.30 1 135 ILE 5.40 -1.00 1 136 ILE 6.40 -1.00 1 137 ARG 4.60 -0.60 1 138 GLU 3.40 -0.40 1 139 VAL 4.80 -1.60 1 140 LYS 5.00 -2.00 1 141 ASP 3.00 -0.70 1 142 ALA 0.80 0.50 1 143 ASN -1.40 1.80 1 144 ALA 1.20 0.70 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4717_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.00 _LACS_plot.Line_1_terminator_val_y_1 0.94 _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 0.27 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 -0.76 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 MET 5.10 -1.70 0 10 VAL -1.80 0.73 1 11 ILE -0.90 0.09 1 12 ILE -3.20 0.81 1 13 MET -3.70 0.25 1 14 ASN -5.20 1.03 1 15 VAL 0.10 0.68 1 16 ALA -8.00 1.04 1 17 ALA -1.90 0.00 1 18 HIS 1.60 -0.35 1 19 HIS 3.40 -0.33 1 21 SER -3.20 0.38 1 22 GLU -4.90 0.02 1 23 LEU -1.20 0.17 1 24 ASN 0.20 -0.42 1 26 GLU 4.20 -0.40 1 27 LEU 2.70 -0.21 1 28 LEU 3.30 -0.47 1 29 LEU 5.20 -0.64 1 30 ASN 4.20 -0.28 1 31 SER 4.60 -0.29 1 32 ILE 5.20 -0.75 1 33 GLN 4.40 0.10 1 34 GLN 3.80 -0.19 1 35 ALA 0.30 0.15 1 37 PHE 0.30 -0.19 1 38 ILE -4.30 0.66 1 39 PHE 2.20 -0.93 1 41 ASP 2.20 -0.30 1 42 MET 5.40 -0.46 1 43 ASN 5.40 -0.83 1 44 ILE -2.30 0.81 1 45 TYR -3.50 0.35 1 46 HIS -4.50 0.54 1 47 ARG -1.90 0.09 1 48 HIS -1.10 0.17 1 49 LEU 2.10 -0.37 1 50 SER -2.20 0.31 1 52 ASP 0.50 -0.18 1 54 SER -0.30 -0.18 1 57 ALA 0.30 -0.91 1 58 LEU -0.80 0.04 1 59 PHE -2.60 0.45 1 60 SER -1.90 0.90 1 61 LEU -4.30 1.19 1 62 ALA -7.40 0.94 1 63 ASN 0.20 -0.11 1 64 MET 2.50 -0.43 1 65 VAL -0.10 -0.14 1 66 LYS 2.70 -0.49 1 69 THR -2.80 0.23 1 70 PHE -4.50 0.15 1 71 ASP -2.90 0.03 1 73 GLU -0.20 -0.12 1 74 MET 0.60 -0.04 1 75 LYS -0.60 0.15 1 76 ASP 0.50 0.13 1 77 PHE -3.10 0.48 1 78 THR -4.00 0.64 1 79 THR -2.60 0.76 1 82 VAL -5.80 1.12 1 83 THR -2.40 0.64 1 84 ILE -2.50 1.19 1 85 PHE -6.20 1.46 1 86 MET -7.10 0.49 1 87 GLN -0.40 0.52 1 88 VAL -3.10 0.08 1 90 SER -2.50 0.13 1 91 TYR -0.10 -0.13 1 93 ASP -1.30 0.03 1 94 GLU 4.90 -0.36 1 95 LEU 4.40 -0.07 1 96 GLN 4.20 -0.15 1 97 ASN 4.00 -0.29 1 98 PHE 4.10 -0.65 1 99 LYS 5.00 -0.65 1 100 LEU 2.90 -0.17 1 102 LEU 3.40 -0.58 1 103 GLN 3.90 -0.35 1 104 SER 5.50 -0.11 1 105 ALA 3.80 -0.65 1 106 GLN 3.40 -0.59 1 107 HIS 4.40 -0.31 1 108 ILE 4.70 -0.51 1 109 ALA 4.70 -0.87 1 110 ASP 3.60 -0.25 1 111 GLU 2.60 -0.29 1 112 VAL -1.20 0.35 1 115 VAL -5.30 0.43 1 116 VAL 1.90 0.48 1 117 LEU -7.70 0.82 1 118 ASP -3.30 0.29 1 119 ASP 3.30 -0.62 1 120 GLN -0.60 0.09 1 121 ARG 7.40 -0.80 1 122 ARG -2.10 0.32 1 123 MET 2.40 -0.25 1 124 MET 2.00 0.09 1 125 THR -2.20 0.43 1 127 GLN 5.70 -0.32 1 128 LYS 2.60 -0.23 1 129 LEU 4.40 -0.05 1 130 ARG 4.50 -0.25 1 131 GLU 3.70 -0.25 1 132 TYR 1.70 -0.20 1 133 GLN 4.50 -0.86 1 134 ASP 4.60 -0.19 1 135 ILE 5.40 -0.45 1 136 ILE 6.40 -0.86 1 137 ARG 4.60 -0.46 1 138 GLU 3.40 -0.30 1 139 VAL 4.80 -0.19 1 140 LYS 5.00 -0.28 1 141 ASP 3.00 -0.17 1 142 ALA 0.80 -0.11 1 143 ASN -1.40 0.03 1 144 ALA 1.20 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4717_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.00 _LACS_plot.Line_1_terminator_val_y_1 -2.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 2.89 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 121 ARG 7.40 -2.21 0 10 VAL -1.80 -1.30 1 11 ILE -0.90 -1.40 1 12 ILE -3.20 -1.00 1 13 MET -3.70 -3.23 1 14 ASN -5.20 -1.30 1 15 VAL 0.10 -2.70 1 16 ALA -8.00 -1.61 1 17 ALA -1.90 0.78 1 18 HIS 1.60 0.74 1 19 HIS 3.40 2.05 1 22 GLU -4.90 -1.12 1 23 LEU -1.20 -1.45 1 24 ASN 0.20 -0.04 1 26 GLU 4.20 2.37 1 27 LEU 2.70 2.41 1 28 LEU 3.30 0.55 1 29 LEU 5.20 2.31 1 30 ASN 4.20 2.29 1 31 SER 4.60 2.66 1 32 ILE 5.20 1.78 1 33 GLN 4.40 5.19 1 34 GLN 3.80 1.24 1 35 ALA 0.30 -0.91 1 37 PHE 0.30 -0.02 1 38 ILE -4.30 0.35 1 39 PHE 2.20 0.23 1 41 ASP 2.20 0.78 1 42 MET 5.40 -2.02 1 43 ASN 5.40 -2.14 1 44 ILE -2.30 -2.98 1 45 TYR -3.50 0.09 1 46 HIS -4.50 -0.19 1 47 ARG -1.90 -1.46 1 48 HIS -1.10 -0.60 1 49 LEU 2.10 -0.61 1 52 ASP 0.50 0.72 1 54 SER -0.30 -0.49 1 57 ALA 0.30 -1.42 1 58 LEU -0.80 -0.32 1 59 PHE -2.60 -1.41 1 60 SER -1.90 -4.30 1 61 LEU -4.30 -4.22 1 62 ALA -7.40 -2.20 1 63 ASN 0.20 1.40 1 64 MET 2.50 0.60 1 65 VAL -0.10 -0.30 1 69 THR -2.80 -0.30 1 70 PHE -4.50 -1.34 1 73 GLU -0.20 -0.25 1 74 MET 0.60 -1.72 1 75 LYS -0.60 -0.69 1 76 ASP 0.50 -2.26 1 77 PHE -3.10 -2.40 1 78 THR -4.00 -1.10 1 82 VAL -5.80 -2.86 1 83 THR -2.40 -2.21 1 84 ILE -2.50 -2.52 1 85 PHE -6.20 -2.53 1 86 MET -7.10 -1.98 1 87 GLN -0.40 -1.23 1 90 SER -2.50 -0.90 1 91 TYR -0.10 -0.43 1 93 ASP -1.30 0.02 1 94 GLU 4.90 2.23 1 95 LEU 4.40 2.49 1 96 GLN 4.20 3.47 1 97 ASN 4.00 1.87 1 98 PHE 4.10 -0.09 1 99 LYS 5.00 2.64 1 100 LEU 2.90 1.85 1 101 MET 5.10 0.73 1 102 LEU 3.40 0.65 1 104 SER 5.50 0.23 1 105 ALA 3.80 0.58 1 106 GLN 3.40 1.86 1 107 HIS 4.40 3.25 1 108 ILE 4.70 0.99 1 109 ALA 4.70 1.69 1 110 ASP 3.60 2.65 1 111 GLU 2.60 2.29 1 112 VAL -1.20 -0.59 1 115 VAL -5.30 -0.92 1 116 VAL 1.90 -1.18 1 117 LEU -7.70 -1.16 1 118 ASP -3.30 1.16 1 119 ASP 3.30 0.68 1 120 GLN -0.60 -1.34 1 122 ARG -2.10 0.51 1 123 MET 2.40 1.35 1 124 MET 2.00 -1.03 1 127 GLN 5.70 2.03 1 128 LYS 2.60 3.31 1 129 LEU 4.40 2.42 1 130 ARG 4.50 1.65 1 131 GLU 3.70 3.17 1 132 TYR 1.70 2.33 1 133 GLN 4.50 1.77 1 134 ASP 4.60 2.98 1 135 ILE 5.40 1.16 1 136 ILE 6.40 1.09 1 137 ARG 4.60 1.65 1 138 GLU 3.40 2.40 1 139 VAL 4.80 2.75 1 140 LYS 5.00 3.22 1 141 ASP 3.00 2.02 1 142 ALA 0.80 0.41 1 143 ASN -1.40 -1.77 1 stop_ save_