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 bmr6336_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 -2.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.45 _LACS_plot.Line_2_terminator_val_x_2 8.59 _LACS_plot.Line_2_terminator_val_y_2 6.65 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 144 HIS 5.10 7.50 0 10 ALA -6.70 -2.30 1 13 LEU -5.50 -2.40 1 14 ILE 1.80 0.80 1 15 ILE -2.20 -1.90 1 16 PHE -6.00 -2.20 1 17 ARG -6.70 -3.40 1 18 ARG 1.30 -1.40 1 20 LEU 1.50 1.00 1 21 ILE -0.40 -0.50 1 23 LYS -0.40 0.10 1 24 VAL 1.10 0.80 1 25 ASP 0.90 0.50 1 26 ASN -0.10 0.40 1 27 ASN -0.50 0.00 1 28 ALA 0.80 1.40 1 29 ILE -2.10 -0.90 1 30 GLU -7.70 -2.70 1 31 PHE -2.80 -0.10 1 32 LEU -1.00 -1.30 1 33 LEU -6.30 -1.80 1 34 LEU -3.20 -2.00 1 35 GLN 0.70 -1.90 1 36 ALA 0.50 1.00 1 37 SER 0.20 0.50 1 38 ASP -4.30 -2.50 1 40 ILE 0.50 -0.40 1 41 HIS 4.80 1.50 1 42 HIS -0.80 1.40 1 43 TRP -3.50 -1.50 1 44 THR 3.10 0.00 1 47 LYS -1.50 -0.40 1 49 HIS 0.10 0.90 1 50 VAL -0.30 0.20 1 51 GLU -0.40 -0.40 1 54 GLU -1.80 -0.50 1 55 ASP -2.80 -0.80 1 56 ASP 3.40 4.10 1 57 LEU 3.70 2.30 1 58 GLU 3.40 2.90 1 59 THR 7.70 6.00 1 60 ALA 4.00 3.30 1 61 LEU 2.80 2.90 1 62 ARG 5.80 3.90 1 63 ALA 3.40 2.30 1 64 THR 8.60 6.80 1 65 GLN 5.90 4.50 1 66 GLU 2.70 3.10 1 67 GLU -3.30 0.10 1 68 ALA -2.90 -1.50 1 70 ILE -1.30 -0.30 1 71 GLU -2.40 -0.90 1 72 ALA 3.40 3.20 1 74 GLN -1.30 -0.20 1 75 LEU -5.60 -1.40 1 76 THR -1.50 -0.60 1 77 ILE 1.80 -0.40 1 78 ILE 0.50 -2.60 1 79 GLU 0.30 0.90 1 81 PHE -1.80 -0.50 1 82 LYS -2.10 -0.50 1 83 ARG -6.60 -2.40 1 84 GLU -4.00 -2.10 1 85 LEU -2.90 -0.30 1 86 ASN -4.10 -0.40 1 87 TYR -2.00 -2.10 1 88 VAL 0.90 0.00 1 89 ALA -5.20 -2.40 1 90 ARG 3.90 1.40 1 91 ASN 2.40 1.70 1 92 LYS -2.80 -1.00 1 94 LYS -2.50 -1.10 1 95 THR 1.00 -0.90 1 96 VAL -4.50 -2.70 1 97 ILE -1.90 -1.70 1 98 TYR -5.00 -0.50 1 99 TRP -1.80 0.90 1 100 LEU -3.50 -0.30 1 101 ALA -7.50 -1.20 1 102 GLU -5.60 -2.90 1 103 VAL -0.00 -1.10 1 104 LYS 2.30 2.30 1 105 ASP -2.90 -1.90 1 106 TYR 2.70 3.80 1 107 ASP -0.80 -1.00 1 108 VAL 1.30 -0.10 1 109 GLU -0.60 -0.20 1 110 ILE -0.40 -3.10 1 111 ARG -2.60 -1.40 1 112 LEU -1.50 -0.80 1 113 SER -3.90 -1.30 1 114 HIS 3.00 2.90 1 115 GLU 1.10 1.20 1 116 HIS -2.60 2.00 1 118 ALA -4.10 -0.80 1 119 TYR -5.20 -1.70 1 120 ARG -5.70 -0.40 1 121 TRP -2.80 -1.60 1 122 LEU -6.40 -1.20 1 124 LEU 5.10 4.40 1 125 GLU 4.80 3.80 1 126 GLU 2.90 2.90 1 127 ALA 3.90 2.60 1 129 GLN 4.10 2.80 1 130 LEU 3.10 1.70 1 131 ALA 2.90 2.30 1 132 GLN 7.20 6.30 1 133 PHE -0.10 0.90 1 134 LYS 4.60 4.40 1 135 GLU 3.60 3.40 1 136 MET -4.20 0.60 1 137 LYS 5.00 4.40 1 138 ALA 3.60 2.60 1 139 ALA 4.50 3.50 1 140 LEU 3.90 3.00 1 141 GLN 5.30 4.00 1 142 GLU 3.40 2.70 1 145 GLN 4.50 3.40 1 146 PHE 4.20 4.00 1 147 LEU 2.30 2.00 1 149 SER 0.90 1.00 1 150 ILE 0.90 0.70 1 151 GLU -6.40 -0.20 1 152 ALA 0.30 1.40 1 153 LEU 3.40 1.40 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6336_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 5.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.55 _LACS_plot.Line_2_terminator_val_x_2 8.59 _LACS_plot.Line_2_terminator_val_y_2 -1.94 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 144 HIS 5.10 2.40 0 10 ALA -6.70 4.40 1 13 LEU -5.50 3.10 1 14 ILE 1.80 -1.00 1 15 ILE -2.20 0.30 1 16 PHE -6.00 3.80 1 17 ARG -6.70 3.30 1 18 ARG 1.30 -2.70 1 20 LEU 1.50 -0.50 1 21 ILE -0.40 -0.10 1 23 LYS -0.40 0.50 1 24 VAL 1.10 -0.30 1 25 ASP 0.90 -0.40 1 26 ASN -0.10 0.50 1 27 ASN -0.50 0.50 1 28 ALA 0.80 0.60 1 29 ILE -2.10 1.20 1 30 GLU -7.70 5.00 1 31 PHE -2.80 2.70 1 32 LEU -1.00 -0.30 1 33 LEU -6.30 4.50 1 34 LEU -3.20 1.20 1 35 GLN 0.70 -2.60 1 36 ALA 0.50 0.50 1 37 SER 0.20 0.30 1 38 ASP -4.30 1.80 1 40 ILE 0.50 -0.90 1 41 HIS 4.80 -3.30 1 42 HIS -0.80 2.20 1 43 TRP -3.50 2.00 1 44 THR 3.10 -3.10 1 47 LYS -1.50 1.10 1 49 HIS 0.10 0.80 1 50 VAL -0.30 0.50 1 51 GLU -0.40 0.00 1 54 GLU -1.80 1.30 1 55 ASP -2.80 2.00 1 56 ASP 3.40 0.70 1 57 LEU 3.70 -1.40 1 58 GLU 3.40 -0.50 1 59 THR 7.70 -1.70 1 60 ALA 4.00 -0.70 1 61 LEU 2.80 0.10 1 62 ARG 5.80 -1.90 1 63 ALA 3.40 -1.10 1 64 THR 8.60 -1.80 1 65 GLN 5.90 -1.40 1 66 GLU 2.70 0.40 1 67 GLU -3.30 3.40 1 68 ALA -2.90 1.40 1 70 ILE -1.30 1.00 1 71 GLU -2.40 1.50 1 72 ALA 3.40 -0.20 1 74 GLN -1.30 1.10 1 75 LEU -5.60 4.20 1 76 THR -1.50 0.90 1 77 ILE 1.80 -2.20 1 78 ILE 0.50 -3.10 1 79 GLU 0.30 0.60 1 81 PHE -1.80 1.30 1 82 LYS -2.10 1.60 1 83 ARG -6.60 4.20 1 84 GLU -4.00 1.90 1 85 LEU -2.90 2.60 1 86 ASN -4.10 3.70 1 87 TYR -2.00 -0.10 1 88 VAL 0.90 -0.90 1 89 ALA -5.20 2.80 1 90 ARG 3.90 -2.50 1 91 ASN 2.40 -0.70 1 92 LYS -2.80 1.80 1 94 LYS -2.50 1.40 1 95 THR 1.00 -1.90 1 96 VAL -4.50 1.80 1 97 ILE -1.90 0.20 1 98 TYR -5.00 4.50 1 99 TRP -1.80 2.70 1 100 LEU -3.50 3.20 1 101 ALA -7.50 6.30 1 102 GLU -5.60 2.70 1 103 VAL -0.00 -1.10 1 104 LYS 2.30 0.00 1 105 ASP -2.90 1.00 1 106 TYR 2.70 1.10 1 107 ASP -0.80 -0.20 1 108 VAL 1.30 -1.40 1 109 GLU -0.60 0.40 1 110 ILE -0.40 -2.70 1 111 ARG -2.60 1.20 1 112 LEU -1.50 0.70 1 113 SER -3.90 2.60 1 114 HIS 3.00 -0.10 1 115 GLU 1.10 0.10 1 116 HIS -2.60 4.60 1 118 ALA -4.10 3.30 1 119 TYR -5.20 3.50 1 120 ARG -5.70 5.30 1 121 TRP -2.80 1.20 1 122 LEU -6.40 5.20 1 124 LEU 5.10 -0.70 1 125 GLU 4.80 -1.00 1 126 GLU 2.90 0.00 1 127 ALA 3.90 -1.30 1 129 GLN 4.10 -1.30 1 130 LEU 3.10 -1.40 1 131 ALA 2.90 -0.60 1 132 GLN 7.20 -0.90 1 133 PHE -0.10 1.00 1 134 LYS 4.60 -0.20 1 135 GLU 3.60 -0.20 1 136 MET -4.20 4.80 1 137 LYS 5.00 -0.60 1 138 ALA 3.60 -1.00 1 139 ALA 4.50 -1.00 1 140 LEU 3.90 -0.90 1 141 GLN 5.30 -1.30 1 142 GLU 3.40 -0.70 1 145 GLN 4.50 -1.10 1 146 PHE 4.20 -0.20 1 147 LEU 2.30 -0.30 1 149 SER 0.90 0.10 1 150 ILE 0.90 -0.20 1 151 GLU -6.40 6.20 1 152 ALA 0.30 1.10 1 153 LEU 3.40 -2.00 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6336_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 0.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 8.59 _LACS_plot.Line_2_terminator_val_y_2 -1.01 _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 102 GLU -5.60 -0.79 0 10 ALA -6.70 0.88 1 13 LEU -5.50 1.04 1 14 ILE 1.80 0.00 1 15 ILE -2.20 1.13 1 16 PHE -6.00 1.62 1 17 ARG -6.70 0.48 1 18 ARG 1.30 0.75 1 20 LEU 1.50 -0.27 1 21 ILE -0.40 -0.13 1 23 LYS -0.40 -0.09 1 24 VAL 1.10 -0.20 1 25 ASP 0.90 -0.24 1 26 ASN -0.10 -0.13 1 27 ASN -0.50 0.07 1 28 ALA 0.80 -0.07 1 29 ILE -2.10 0.43 1 30 GLU -7.70 0.38 1 31 PHE -2.80 0.73 1 32 LEU -1.00 -0.05 1 33 LEU -6.30 0.34 1 34 LEU -3.20 0.55 1 35 GLN 0.70 -0.56 1 36 ALA 0.50 -0.15 1 37 SER 0.20 -0.11 1 38 ASP -4.30 0.00 1 40 ILE 0.50 0.12 1 41 HIS 4.80 -0.37 1 42 HIS -0.80 0.12 1 43 TRP -3.50 0.82 1 44 THR 3.10 0.41 1 47 LYS -1.50 0.55 1 49 HIS 0.10 -0.03 1 50 VAL -0.30 -0.07 1 51 GLU -0.40 0.01 1 54 GLU -1.80 -0.05 1 55 ASP -2.80 -0.02 1 56 ASP 3.40 -0.24 1 57 LEU 3.70 -0.91 1 58 GLU 3.40 -0.59 1 59 THR 7.70 -0.69 1 60 ALA 4.00 -0.53 1 61 LEU 2.80 -0.56 1 62 ARG 5.80 -0.32 1 63 ALA 3.40 -0.25 1 64 THR 8.60 -0.75 1 65 GLN 5.90 -0.57 1 66 GLU 2.70 -0.50 1 67 GLU -3.30 0.13 1 68 ALA -2.90 0.27 1 70 ILE -1.30 -0.15 1 71 GLU -2.40 -0.24 1 72 ALA 3.40 -0.56 1 74 GLN -1.30 -0.08 1 75 LEU -5.60 0.70 1 76 THR -1.50 0.05 1 77 ILE 1.80 0.09 1 78 ILE 0.50 0.04 1 79 GLU 0.30 -0.03 1 81 PHE -1.80 -0.41 1 82 LYS -2.10 -0.09 1 83 ARG -6.60 0.04 1 84 GLU -4.00 0.66 1 85 LEU -2.90 0.41 1 86 ASN -4.10 0.78 1 87 TYR -2.00 0.05 1 88 VAL 0.90 -0.04 1 89 ALA -5.20 0.27 1 90 ARG 3.90 -0.62 1 91 ASN 2.40 -0.78 1 92 LYS -2.80 0.17 1 94 LYS -2.50 0.36 1 95 THR 1.00 0.55 1 96 VAL -4.50 0.72 1 97 ILE -1.90 0.37 1 98 TYR -5.00 0.84 1 99 TRP -1.80 0.29 1 100 LEU -3.50 0.92 1 101 ALA -7.50 0.96 1 103 VAL -0.00 0.39 1 104 LYS 2.30 -0.43 1 105 ASP -2.90 0.04 1 106 TYR 2.70 -1.18 1 107 ASP -0.80 -0.10 1 108 VAL 1.30 -0.37 1 109 GLU -0.60 -0.27 1 110 ILE -0.40 0.00 1 111 ARG -2.60 0.03 1 112 LEU -1.50 0.24 1 113 SER -3.90 0.30 1 114 HIS 3.00 -0.37 1 115 GLU 1.10 -0.56 1 116 HIS -2.60 0.43 1 118 ALA -4.10 0.15 1 119 TYR -5.20 1.25 1 120 ARG -5.70 -0.02 1 121 TRP -2.80 0.58 1 122 LEU -6.40 0.50 1 124 LEU 5.10 -0.50 1 125 GLU 4.80 -0.58 1 126 GLU 2.90 -0.53 1 127 ALA 3.90 -0.69 1 129 GLN 4.10 -0.60 1 130 LEU 3.10 -0.58 1 131 ALA 2.90 -0.15 1 132 GLN 7.20 -0.83 1 133 PHE -0.10 -0.32 1 134 LYS 4.60 -0.53 1 135 GLU 3.60 -0.10 1 136 MET -4.20 0.15 1 137 LYS 5.00 -0.53 1 138 ALA 3.60 -0.27 1 139 ALA 4.50 -0.40 1 140 LEU 3.90 -0.93 1 141 GLN 5.30 -0.62 1 142 GLU 3.40 -0.31 1 144 HIS 5.10 -0.92 1 145 GLN 4.50 -0.44 1 146 PHE 4.20 -0.60 1 147 LEU 2.30 -0.63 1 149 SER 0.90 -0.21 1 150 ILE 0.90 -0.23 1 151 GLU -6.40 -0.19 1 152 ALA 0.30 -0.31 1 153 LEU 3.40 0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6336_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 -3.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.73 _LACS_plot.Line_2_terminator_val_x_2 8.59 _LACS_plot.Line_2_terminator_val_y_2 3.31 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 GLN 7.20 -0.30 0 102 GLU -5.60 1.90 0 10 ALA -6.70 -2.20 1 13 LEU -5.50 -2.40 1 14 ILE 1.80 -1.60 1 15 ILE -2.20 0.40 1 16 PHE -6.00 -4.20 1 17 ARG -6.70 -2.40 1 18 ARG 1.30 -0.70 1 20 LEU 1.50 -0.30 1 23 LYS -0.40 0.40 1 24 VAL 1.10 -0.20 1 25 ASP 0.90 -0.30 1 26 ASN -0.10 -0.20 1 27 ASN -0.50 -0.50 1 28 ALA 0.80 -0.50 1 29 ILE -2.10 -0.70 1 30 GLU -7.70 -1.50 1 31 PHE -2.80 -0.40 1 32 LEU -1.00 -1.90 1 33 LEU -6.30 -3.10 1 34 LEU -3.20 -1.50 1 35 GLN 0.70 0.30 1 36 ALA 0.50 0.60 1 37 SER 0.20 -2.10 1 38 ASP -4.30 -1.30 1 40 ILE 0.50 0.80 1 41 HIS 4.80 -0.30 1 47 LYS -1.50 -1.70 1 49 HIS 0.10 1.00 1 50 VAL -0.30 0.60 1 51 GLU -0.40 3.10 1 54 GLU -1.80 0.20 1 55 ASP -2.80 0.40 1 56 ASP 3.40 1.20 1 57 LEU 3.70 1.60 1 58 GLU 3.40 4.00 1 59 THR 7.70 0.90 1 60 ALA 4.00 3.10 1 61 LEU 2.80 2.40 1 62 ARG 5.80 2.50 1 63 ALA 3.40 2.10 1 64 THR 8.60 1.70 1 65 GLN 5.90 3.50 1 66 GLU 2.70 3.50 1 67 GLU -3.30 0.40 1 68 ALA -2.90 -0.40 1 70 ILE -1.30 -1.40 1 71 GLU -2.40 1.20 1 72 ALA 3.40 2.50 1 74 GLN -1.30 -1.10 1 75 LEU -5.60 -2.00 1 76 THR -1.50 -0.50 1 77 ILE 1.80 0.20 1 78 ILE 0.50 0.00 1 79 GLU 0.30 1.10 1 81 PHE -1.80 -2.40 1 82 LYS -2.10 -1.70 1 83 ARG -6.60 -3.10 1 84 GLU -4.00 -1.00 1 85 LEU -2.90 -2.20 1 86 ASN -4.10 -1.50 1 87 TYR -2.00 -3.30 1 88 VAL 0.90 -1.70 1 89 ALA -5.20 -1.20 1 90 ARG 3.90 -0.40 1 91 ASN 2.40 -1.00 1 94 LYS -2.50 -2.50 1 95 THR 1.00 -1.70 1 96 VAL -4.50 -2.30 1 99 TRP -1.80 -0.70 1 100 LEU -3.50 -1.10 1 101 ALA -7.50 -4.70 1 103 VAL -0.00 -0.20 1 104 LYS 2.30 0.10 1 105 ASP -2.90 -1.40 1 106 TYR 2.70 -0.40 1 107 ASP -0.80 -0.60 1 108 VAL 1.30 -2.70 1 109 GLU -0.60 -1.40 1 110 ILE -0.40 -0.40 1 111 ARG -2.60 -1.60 1 113 SER -3.90 0.50 1 114 HIS 3.00 2.30 1 115 GLU 1.10 -0.30 1 116 HIS -2.60 -1.00 1 118 ALA -4.10 -2.80 1 119 TYR -5.20 -2.40 1 120 ARG -5.70 -2.50 1 121 TRP -2.80 1.60 1 122 LEU -6.40 -0.60 1 124 LEU 5.10 0.50 1 125 GLU 4.80 3.30 1 126 GLU 2.90 2.20 1 127 ALA 3.90 1.60 1 129 GLN 4.10 3.20 1 130 LEU 3.10 1.20 1 131 ALA 2.90 3.40 1 133 PHE -0.10 2.60 1 134 LYS 4.60 2.40 1 135 GLU 3.60 2.40 1 136 MET -4.20 1.50 1 137 LYS 5.00 1.60 1 138 ALA 3.60 1.30 1 139 ALA 4.50 1.80 1 140 LEU 3.90 1.10 1 141 GLN 5.30 3.70 1 142 GLU 3.40 4.10 1 144 HIS 5.10 3.30 1 145 GLN 4.50 3.00 1 146 PHE 4.20 2.90 1 147 LEU 2.30 2.30 1 149 SER 0.90 -0.10 1 150 ILE 0.90 -0.10 1 151 GLU -6.40 -1.40 1 152 ALA 0.30 -1.50 1 stop_ save_