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 bmr7089_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 -3.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.97 _LACS_plot.Line_2_terminator_val_x_2 7.52 _LACS_plot.Line_2_terminator_val_y_2 5.46 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 MET 3.92 -1.64 0 159 ILE 6.91 0.01 0 12 LYS 4.63 -1.67 0 11 ARG 1.70 -0.40 1 13 HIS -2.90 -0.40 1 14 TYR -0.89 -1.05 1 15 ILE -4.10 -2.07 1 16 THR -5.50 -2.90 1 17 TYR -7.55 -2.71 1 18 ARG -6.15 -1.26 1 19 ILE 2.13 0.45 1 20 ASN 0.34 3.43 1 21 ASN -1.15 -1.02 1 22 TYR -0.02 2.85 1 25 ASP 1.28 1.98 1 26 MET -8.20 -1.75 1 27 ASN 0.65 0.40 1 28 ARG 5.18 4.53 1 29 GLU 4.20 3.10 1 30 ASP 2.33 3.03 1 31 VAL 6.21 4.76 1 32 ASP 4.38 3.88 1 33 TYR 3.76 3.82 1 34 ALA 3.52 3.22 1 35 ILE 4.18 1.12 1 36 ARG 4.67 4.31 1 37 LYS 3.74 2.20 1 38 ALA 3.25 3.15 1 39 PHE 7.12 6.19 1 40 GLN 3.42 2.84 1 41 VAL 5.47 3.87 1 42 TRP 0.27 1.09 1 43 SER 3.27 3.19 1 44 ASN 1.63 1.94 1 45 VAL -1.80 -1.76 1 46 THR -2.87 -0.04 1 48 LEU -1.00 -0.17 1 49 LYS -4.20 -1.90 1 50 PHE -4.47 -2.00 1 51 SER -3.43 -1.43 1 52 LYS -1.04 -0.70 1 53 ILE -1.57 -2.07 1 54 ASN -0.55 0.75 1 55 THR -2.47 -1.37 1 57 MET 1.10 -0.10 1 58 ALA -5.92 -2.42 1 59 ASP 3.27 3.87 1 60 ILE 1.73 0.73 1 61 LEU -2.76 -1.56 1 62 VAL 1.93 -0.37 1 63 VAL -6.46 -1.48 1 64 PHE -1.91 -0.48 1 65 ALA -4.91 -1.11 1 66 ARG -5.07 -1.80 1 68 ALA 1.74 0.84 1 71 ASP -1.21 0.49 1 72 PHE 0.40 -2.97 1 73 HIS 1.05 -1.05 1 74 ALA 6.07 5.57 1 75 PHE 0.67 -0.27 1 76 ASP -0.76 -0.16 1 78 LYS 3.15 2.33 1 81 ILE 6.65 1.25 1 82 LEU -3.30 -2.70 1 83 ALA 2.70 1.50 1 84 HIS -0.70 0.30 1 85 ALA -3.05 -0.35 1 86 PHE 4.30 1.70 1 90 SER -0.25 0.55 1 92 ILE 2.04 1.24 1 95 ASP 3.98 2.38 1 97 HIS -9.60 -4.50 1 98 PHE -2.54 -0.66 1 99 ASP 0.66 0.06 1 100 GLU -2.12 -0.22 1 101 ASP 4.21 2.71 1 102 GLU 0.22 -2.58 1 103 PHE -1.38 -2.08 1 104 TRP -2.21 -0.81 1 105 THR -2.69 -1.81 1 106 THR 1.00 0.60 1 107 HIS -2.07 0.53 1 108 SER -0.30 0.50 1 111 THR 1.27 0.89 1 112 ASN -0.18 2.78 1 113 LEU 5.02 3.74 1 114 PHE 5.71 4.01 1 115 LEU 2.19 2.80 1 116 THR 6.83 5.23 1 117 ALA 4.88 3.08 1 118 VAL 7.53 5.83 1 119 HIS 1.56 3.56 1 120 ALA 5.20 4.10 1 121 ILE 3.34 2.34 1 123 HIS 0.01 1.41 1 124 SER -0.53 -1.97 1 125 LEU -0.80 -2.20 1 127 LEU -0.50 -1.10 1 129 HIS 0.34 1.34 1 130 SER -4.02 -2.72 1 131 SER 0.02 0.44 1 132 ASP -2.37 -0.77 1 134 LYS 4.64 0.24 1 135 ALA -1.32 -0.42 1 136 VAL 4.28 2.75 1 138 PHE 1.09 2.24 1 140 THR -0.28 -0.38 1 141 TYR 0.54 1.16 1 142 LYS -2.75 -0.84 1 143 TYR 3.30 3.00 1 144 VAL -5.17 -2.67 1 145 ASP 0.06 1.06 1 146 ILE 4.45 3.55 1 147 ASN 2.98 2.50 1 148 THR -0.32 -0.85 1 149 PHE 1.87 2.30 1 150 ARG -4.27 -1.66 1 151 LEU -0.83 -0.13 1 152 SER -2.47 -0.47 1 153 ALA 4.11 3.21 1 154 ASP 1.46 4.16 1 155 ASP 0.41 3.61 1 156 ILE 4.73 4.42 1 157 ARG 4.45 3.40 1 160 GLN 5.48 3.08 1 161 SER 4.07 3.12 1 162 LEU 0.53 1.59 1 163 TYR -0.88 1.10 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7089_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 5.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.03 _LACS_plot.Line_2_terminator_val_x_2 7.52 _LACS_plot.Line_2_terminator_val_y_2 -2.06 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 MET 3.92 -5.56 0 159 ILE 6.91 -6.90 0 12 LYS 4.63 -6.30 0 11 ARG 1.70 -2.10 1 13 HIS -2.90 2.50 1 14 TYR -0.89 -0.16 1 15 ILE -4.10 2.03 1 16 THR -5.50 2.60 1 17 TYR -7.55 4.84 1 18 ARG -6.15 4.89 1 19 ILE 2.13 -1.68 1 20 ASN 0.34 3.09 1 21 ASN -1.15 0.13 1 22 TYR -0.02 2.87 1 25 ASP 1.28 0.70 1 26 MET -8.20 6.45 1 27 ASN 0.65 -0.25 1 28 ARG 5.18 -0.65 1 29 GLU 4.20 -1.10 1 30 ASP 2.33 0.70 1 31 VAL 6.21 -1.45 1 32 ASP 4.38 -0.50 1 33 TYR 3.76 0.06 1 34 ALA 3.52 -0.30 1 35 ILE 4.18 -3.06 1 36 ARG 4.67 -0.36 1 37 LYS 3.74 -1.54 1 38 ALA 3.25 -0.10 1 39 PHE 7.12 -0.93 1 40 GLN 3.42 -0.58 1 41 VAL 5.47 -1.60 1 42 TRP 0.27 0.82 1 43 SER 3.27 -0.08 1 44 ASN 1.63 0.31 1 45 VAL -1.80 0.04 1 46 THR -2.87 2.83 1 48 LEU -1.00 0.83 1 49 LYS -4.20 2.30 1 50 PHE -4.47 2.47 1 51 SER -3.43 2.00 1 52 LYS -1.04 0.34 1 53 ILE -1.57 -0.50 1 54 ASN -0.55 1.30 1 55 THR -2.47 1.10 1 57 MET 1.10 -1.20 1 58 ALA -5.92 3.50 1 59 ASP 3.27 0.60 1 60 ILE 1.73 -1.00 1 61 LEU -2.76 1.20 1 62 VAL 1.93 -2.30 1 63 VAL -6.46 4.98 1 64 PHE -1.91 1.43 1 65 ALA -4.91 3.80 1 66 ARG -5.07 3.27 1 68 ALA 1.74 -0.90 1 71 ASP -1.21 1.70 1 72 PHE 0.40 -3.37 1 73 HIS 1.05 -2.10 1 74 ALA 6.07 -0.50 1 75 PHE 0.67 -0.94 1 76 ASP -0.76 0.60 1 78 LYS 3.15 -0.82 1 81 ILE 6.65 -5.40 1 82 LEU -3.30 0.60 1 83 ALA 2.70 -1.20 1 84 HIS -0.70 1.00 1 85 ALA -3.05 2.70 1 86 PHE 4.30 -2.60 1 90 SER -0.25 0.80 1 92 ILE 2.04 -0.80 1 95 ASP 3.98 -1.60 1 97 HIS -9.60 5.10 1 98 PHE -2.54 1.88 1 99 ASP 0.66 -0.60 1 100 GLU -2.12 1.90 1 101 ASP 4.21 -1.50 1 102 GLU 0.22 -2.80 1 103 PHE -1.38 -0.70 1 104 TRP -2.21 1.40 1 105 THR -2.69 0.88 1 106 THR 1.00 -0.40 1 107 HIS -2.07 2.60 1 108 SER -0.30 0.80 1 111 THR 1.27 -0.38 1 112 ASN -0.18 2.96 1 113 LEU 5.02 -1.28 1 114 PHE 5.71 -1.70 1 115 LEU 2.19 0.61 1 116 THR 6.83 -1.60 1 117 ALA 4.88 -1.80 1 118 VAL 7.53 -1.70 1 119 HIS 1.56 2.00 1 120 ALA 5.20 -1.10 1 121 ILE 3.34 -1.00 1 123 HIS 0.01 1.40 1 124 SER -0.53 -1.44 1 125 LEU -0.80 -1.40 1 127 LEU -0.50 -0.60 1 129 HIS 0.34 1.00 1 130 SER -4.02 1.30 1 131 SER 0.02 0.42 1 132 ASP -2.37 1.60 1 134 LYS 4.64 -4.40 1 135 ALA -1.32 0.90 1 136 VAL 4.28 -1.53 1 138 PHE 1.09 1.15 1 140 THR -0.28 -0.10 1 141 TYR 0.54 0.62 1 142 LYS -2.75 1.91 1 143 TYR 3.30 -0.30 1 144 VAL -5.17 2.50 1 145 ASP 0.06 1.00 1 146 ILE 4.45 -0.90 1 147 ASN 2.98 -0.48 1 148 THR -0.32 -0.53 1 149 PHE 1.87 0.43 1 150 ARG -4.27 2.61 1 151 LEU -0.83 0.70 1 152 SER -2.47 2.00 1 153 ALA 4.11 -0.90 1 154 ASP 1.46 2.70 1 155 ASP 0.41 3.20 1 156 ILE 4.73 -0.31 1 157 ARG 4.45 -1.05 1 160 GLN 5.48 -2.40 1 161 SER 4.07 -0.95 1 162 LEU 0.53 1.06 1 163 TYR -0.88 1.98 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7089_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.60 _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 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 7.52 _LACS_plot.Line_2_terminator_val_y_2 -0.33 _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 62 VAL 1.93 1.10 0 17 TYR -7.55 1.31 0 11 ARG 1.70 0.22 1 12 LYS 4.63 0.22 1 13 HIS -2.90 0.09 1 14 TYR -0.89 -0.01 1 15 ILE -4.10 0.01 1 16 THR -5.50 0.97 1 18 ARG -6.15 0.36 1 19 ILE 2.13 0.17 1 20 ASN 0.34 -0.40 1 21 ASN -1.15 -0.07 1 22 TYR -0.02 -0.73 1 25 ASP 1.28 -0.54 1 26 MET -8.20 0.14 1 27 ASN 0.65 -0.13 1 28 ARG 5.18 0.42 1 29 GLU 4.20 -0.22 1 30 ASP 2.33 0.02 1 31 VAL 6.21 0.01 1 32 ASP 4.38 -0.28 1 33 TYR 3.76 -0.35 1 34 ALA 3.52 -0.40 1 35 ILE 4.18 -0.64 1 36 ARG 4.67 -0.21 1 37 LYS 3.74 -0.41 1 38 ALA 3.25 -0.40 1 39 PHE 7.12 -0.87 1 40 GLN 3.42 -0.15 1 41 VAL 5.47 -0.49 1 42 TRP 0.27 -0.29 1 43 SER 3.27 -0.10 1 44 ASN 1.63 -0.01 1 45 VAL -1.80 0.74 1 46 THR -2.87 -0.24 1 48 LEU -1.00 -0.20 1 49 LYS -4.20 -0.05 1 50 PHE -4.47 1.08 1 51 SER -3.43 0.15 1 52 LYS -1.04 0.27 1 53 ILE -1.57 0.47 1 54 ASN -0.55 -0.64 1 55 THR -2.47 0.40 1 57 MET 1.10 -0.04 1 58 ALA -5.92 0.23 1 59 ASP 3.27 -0.10 1 60 ILE 1.73 0.05 1 61 LEU -2.76 0.74 1 63 VAL -6.46 0.45 1 64 PHE -1.91 0.75 1 65 ALA -4.91 0.51 1 66 ARG -5.07 0.92 1 68 ALA 1.74 0.44 1 71 ASP -1.21 -0.39 1 72 PHE 0.40 -0.45 1 73 HIS 1.05 -0.10 1 74 ALA 6.07 -0.39 1 75 PHE 0.67 -0.40 1 76 ASP -0.76 0.24 1 78 LYS 3.15 -0.86 1 81 ILE 6.65 -0.24 1 82 LEU -3.30 0.69 1 83 ALA 2.70 -0.59 1 84 HIS -0.70 -0.76 1 85 ALA -3.05 -0.18 1 86 PHE 4.30 0.07 1 90 SER -0.25 -0.11 1 92 ILE 2.04 -0.15 1 95 ASP 3.98 -0.33 1 97 HIS -9.60 0.08 1 98 PHE -2.54 -0.30 1 99 ASP 0.66 -0.30 1 100 GLU -2.12 0.14 1 101 ASP 4.21 0.17 1 102 GLU 0.22 0.12 1 103 PHE -1.38 0.31 1 104 TRP -2.21 0.34 1 105 THR -2.69 0.05 1 106 THR 1.00 0.25 1 107 HIS -2.07 -0.41 1 108 SER -0.30 -0.30 1 111 THR 1.27 -0.35 1 112 ASN -0.18 0.03 1 113 LEU 5.02 0.06 1 114 PHE 5.71 -0.68 1 115 LEU 2.19 0.02 1 116 THR 6.83 0.05 1 117 ALA 4.88 -0.28 1 118 VAL 7.53 0.46 1 119 HIS 1.56 -0.45 1 120 ALA 5.20 -0.04 1 121 ILE 3.34 -0.62 1 123 HIS 0.01 -0.45 1 124 SER -0.53 -0.16 1 125 LEU -0.80 0.19 1 127 LEU -0.50 -0.38 1 129 HIS 0.34 0.49 1 130 SER -4.02 0.28 1 131 SER 0.02 0.29 1 132 ASP -2.37 -0.09 1 134 LYS 4.64 -0.19 1 135 ALA -1.32 0.24 1 136 VAL 4.28 0.13 1 137 MET 3.92 -0.26 1 138 PHE 1.09 -1.03 1 140 THR -0.28 -0.23 1 141 TYR 0.54 -0.27 1 142 LYS -2.75 -0.29 1 143 TYR 3.30 -0.69 1 144 VAL -5.17 -0.24 1 145 ASP 0.06 -0.36 1 146 ILE 4.45 -0.33 1 147 ASN 2.98 -0.16 1 148 THR -0.32 0.05 1 149 PHE 1.87 -0.47 1 150 ARG -4.27 -0.21 1 151 LEU -0.83 -0.42 1 152 SER -2.47 -0.27 1 153 ALA 4.11 0.22 1 154 ASP 1.46 -0.26 1 155 ASP 0.41 0.12 1 156 ILE 4.73 -0.48 1 157 ARG 4.45 -0.21 1 159 ILE 6.91 0.36 1 160 GLN 5.48 0.17 1 161 SER 4.07 -0.18 1 162 LEU 0.53 0.15 1 163 TYR -0.88 0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7089_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 -2.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.48 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 2.10 _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 97 HIS -9.60 -1.20 0 21 ASN -1.15 -5.40 0 11 ARG 1.70 0.20 1 12 LYS 4.63 -2.50 1 13 HIS -2.90 -0.80 1 14 TYR -0.89 -2.00 1 15 ILE -4.10 -1.00 1 16 THR -5.50 -0.10 1 17 TYR -7.55 -4.00 1 18 ARG -6.15 -2.10 1 19 ILE 2.13 -1.20 1 20 ASN 0.34 -1.30 1 22 TYR -0.02 1.50 1 25 ASP 1.28 -0.40 1 26 MET -8.20 -1.40 1 27 ASN 0.65 2.10 1 28 ARG 5.18 1.70 1 29 GLU 4.20 2.80 1 30 ASP 2.33 2.90 1 31 VAL 6.21 1.10 1 32 ASP 4.38 3.40 1 33 TYR 3.76 0.40 1 34 ALA 3.52 1.60 1 35 ILE 4.18 0.90 1 36 ARG 4.67 3.50 1 37 LYS 3.74 2.10 1 38 ALA 3.25 0.80 1 39 PHE 7.12 2.90 1 40 GLN 3.42 1.90 1 41 VAL 5.47 1.90 1 42 TRP 0.27 4.60 1 43 SER 3.27 1.10 1 44 ASN 1.63 1.50 1 45 VAL -1.80 -1.70 1 46 THR -2.87 0.20 1 48 LEU -1.00 -1.30 1 49 LYS -4.20 -1.10 1 50 PHE -4.47 0.80 1 51 SER -3.43 -3.50 1 52 LYS -1.04 0.00 1 53 ILE -1.57 -1.00 1 54 ASN -0.55 -0.10 1 55 THR -2.47 -2.10 1 57 MET 1.10 -1.30 1 58 ALA -5.92 -1.30 1 59 ASP 3.27 0.80 1 60 ILE 1.73 -3.20 1 61 LEU -2.76 -1.90 1 62 VAL 1.93 -1.10 1 63 VAL -6.46 -1.50 1 64 PHE -1.91 0.30 1 65 ALA -4.91 -3.00 1 66 ARG -5.07 -0.60 1 71 ASP -1.21 0.00 1 72 PHE 0.40 0.50 1 73 HIS 1.05 0.60 1 75 PHE 0.67 0.40 1 76 ASP -0.76 1.00 1 78 LYS 3.15 1.30 1 82 LEU -3.30 -1.00 1 84 HIS -0.70 0.70 1 86 PHE 4.30 4.70 1 95 ASP 3.98 -1.30 1 98 PHE -2.54 -1.60 1 99 ASP 0.66 3.10 1 100 GLU -2.12 0.00 1 101 ASP 4.21 1.00 1 102 GLU 0.22 -1.50 1 103 PHE -1.38 -3.00 1 104 TRP -2.21 0.70 1 105 THR -2.69 1.40 1 106 THR 1.00 0.90 1 107 HIS -2.07 0.10 1 108 SER -0.30 1.40 1 111 THR 1.27 -2.00 1 112 ASN -0.18 1.50 1 113 LEU 5.02 -1.10 1 114 PHE 5.71 0.10 1 115 LEU 2.19 2.80 1 116 THR 6.83 1.90 1 117 ALA 4.88 0.60 1 119 HIS 1.56 1.80 1 120 ALA 5.20 0.80 1 121 ILE 3.34 0.80 1 124 SER -0.53 1.20 1 130 SER -4.02 1.00 1 131 SER 0.02 -1.10 1 132 ASP -2.37 -0.10 1 134 LYS 4.64 0.20 1 135 ALA -1.32 1.70 1 137 MET 3.92 1.40 1 138 PHE 1.09 2.40 1 140 THR -0.28 -1.20 1 141 TYR 0.54 -1.30 1 142 LYS -2.75 -2.90 1 143 TYR 3.30 -0.70 1 144 VAL -5.17 -4.10 1 145 ASP 0.06 2.80 1 146 ILE 4.45 1.00 1 147 ASN 2.98 1.30 1 148 THR -0.32 -0.80 1 149 PHE 1.87 -1.20 1 150 ARG -4.27 -1.70 1 151 LEU -0.83 -0.60 1 152 SER -2.47 0.50 1 153 ALA 4.11 2.50 1 154 ASP 1.46 2.30 1 155 ASP 0.41 1.40 1 156 ILE 4.73 1.20 1 157 ARG 4.45 4.20 1 159 ILE 6.91 1.40 1 160 GLN 5.48 3.30 1 161 SER 4.07 0.50 1 162 LEU 0.53 0.00 1 163 TYR -0.88 -1.40 1 stop_ save_