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 bmr6391_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.50 _LACS_plot.Line_1_terminator_val_y_1 -4.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.21 _LACS_plot.Line_2_terminator_val_x_2 8.23 _LACS_plot.Line_2_terminator_val_y_2 5.85 _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 138 MET 3.73 -2.82 0 10 VAL -5.56 -2.82 1 11 TRP 0.57 0.78 1 12 ARG 1.66 -0.56 1 13 LYS -2.77 -1.79 1 14 HIS -2.56 -1.37 1 15 TYR -0.73 -1.21 1 16 ILE -3.53 -2.03 1 17 THR -5.94 -3.15 1 18 TYR -7.17 -2.84 1 19 ARG -5.79 -1.35 1 20 ILE 2.32 0.29 1 21 ASN 0.51 3.16 1 22 ASN -0.61 -1.13 1 23 TYR -1.11 0.84 1 24 THR 1.71 -1.17 1 26 ASP 1.15 1.87 1 27 MET -8.29 -2.06 1 28 ASN 0.78 0.16 1 29 ARG 5.55 4.44 1 30 GLU 4.29 2.92 1 31 ASP 3.28 2.91 1 32 VAL 6.18 4.54 1 33 ASP 4.55 3.77 1 34 TYR 3.81 3.70 1 35 ALA 3.78 3.02 1 36 ILE 4.23 1.17 1 37 ARG 4.92 4.15 1 38 LYS 3.98 2.15 1 39 ALA 2.56 2.93 1 40 PHE 7.06 6.04 1 41 GLN 3.49 2.59 1 42 VAL 5.79 3.86 1 43 TRP -0.03 0.78 1 44 SER 3.11 2.99 1 45 ASN 1.62 1.76 1 46 VAL -1.60 -1.99 1 47 THR -2.39 0.09 1 49 LEU -1.07 -0.51 1 50 LYS -3.83 -1.92 1 51 PHE -4.18 -2.24 1 52 SER -3.52 -1.61 1 53 LYS -1.06 -0.94 1 54 ILE -4.11 -2.11 1 55 ASN -0.65 0.45 1 56 THR -2.49 -1.55 1 58 MET 0.72 -0.29 1 59 ALA -6.01 -2.85 1 60 ASP 3.39 3.67 1 61 ILE -0.62 0.55 1 62 LEU -2.65 -1.65 1 63 VAL -0.41 -0.46 1 64 VAL -5.74 -1.38 1 65 PHE -1.79 -0.70 1 66 ALA -5.08 -1.40 1 67 ARG -5.10 -2.13 1 69 ALA 1.84 0.68 1 70 HIS 0.84 -0.14 1 72 ASP -2.24 -2.51 1 74 HIS -2.03 -1.34 1 75 ALA 1.81 0.99 1 76 PHE 0.64 -0.63 1 77 ASP -0.94 -0.43 1 79 LYS 3.34 2.28 1 82 ILE 2.25 1.48 1 83 LEU 0.87 0.48 1 84 ALA -4.18 -0.90 1 85 HIS -2.60 -0.79 1 86 ALA -6.65 -1.90 1 87 PHE -2.92 -1.20 1 91 SER -0.28 0.39 1 93 ILE 1.58 0.71 1 96 ASP 3.85 2.33 1 97 ALA -3.20 -1.71 1 98 HIS -9.50 -4.54 1 99 PHE -2.40 -0.98 1 100 ASP 0.81 -0.17 1 101 GLU -1.85 -0.39 1 102 ASP 4.41 2.48 1 103 GLU 0.82 -2.93 1 104 PHE -1.62 -2.44 1 105 TRP -1.74 -0.83 1 106 THR -3.98 -1.97 1 107 THR 1.20 0.65 1 108 HIS -1.19 0.34 1 109 SER 0.34 0.08 1 112 THR 2.30 0.97 1 113 ASN 0.06 2.57 1 114 LEU 5.22 3.96 1 115 PHE 5.41 3.69 1 116 LEU 1.41 2.73 1 117 THR 6.31 4.82 1 118 ALA 5.59 3.37 1 119 VAL 8.24 6.26 1 120 HIS 4.73 4.15 1 121 GLU 4.13 0.89 1 122 ILE 4.38 2.67 1 124 HIS 4.86 3.28 1 126 LEU 0.25 -0.15 1 128 LEU -0.34 0.14 1 130 HIS -2.02 0.21 1 131 SER -4.73 -3.08 1 132 SER -0.28 -0.08 1 133 ASP -2.13 -0.84 1 135 LYS 0.97 -0.23 1 136 ALA -1.00 -0.50 1 137 VAL 3.65 1.96 1 139 PHE 0.38 2.24 1 141 THR -3.24 -1.60 1 143 LYS -2.68 -0.97 1 144 TYR 3.09 2.70 1 145 VAL -4.93 -2.92 1 146 ASP 0.09 0.82 1 147 ILE 4.30 3.27 1 148 ASN 3.03 2.47 1 149 THR -0.59 -1.19 1 150 PHE 1.91 2.17 1 151 ARG -4.05 -1.76 1 152 LEU -0.61 -0.13 1 153 SER -2.80 -0.71 1 154 ALA 4.32 2.99 1 155 ASP 1.93 3.88 1 156 ASP 0.72 3.63 1 157 ILE 4.98 4.56 1 158 ARG 4.17 3.33 1 160 ILE 0.27 0.02 1 161 GLN 5.32 2.97 1 162 SER 3.92 3.00 1 163 LEU 0.09 1.34 1 164 TYR -0.57 1.10 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6391_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.50 _LACS_plot.Line_1_terminator_val_y_1 5.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.79 _LACS_plot.Line_2_terminator_val_x_2 8.23 _LACS_plot.Line_2_terminator_val_y_2 -2.38 _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 138 MET 3.73 -6.55 0 10 VAL -5.56 2.74 1 11 TRP 0.57 0.21 1 12 ARG 1.66 -2.22 1 13 LYS -2.77 0.98 1 14 HIS -2.56 1.19 1 15 TYR -0.73 -0.48 1 16 ILE -3.53 1.50 1 17 THR -5.94 2.79 1 18 TYR -7.17 4.33 1 19 ARG -5.79 4.44 1 20 ILE 2.32 -2.03 1 21 ASN 0.51 2.65 1 22 ASN -0.61 -0.52 1 23 TYR -1.11 1.95 1 24 THR 1.71 -2.88 1 26 ASP 1.15 0.72 1 27 MET -8.29 6.23 1 28 ASN 0.78 -0.62 1 29 ARG 5.55 -1.11 1 30 GLU 4.29 -1.37 1 31 ASP 3.28 -0.37 1 32 VAL 6.18 -1.64 1 33 ASP 4.55 -0.78 1 34 TYR 3.81 -0.11 1 35 ALA 3.78 -0.76 1 36 ILE 4.23 -3.06 1 37 ARG 4.92 -0.77 1 38 LYS 3.98 -1.83 1 39 ALA 2.56 0.37 1 40 PHE 7.06 -1.02 1 41 GLN 3.49 -0.90 1 42 VAL 5.79 -1.93 1 43 TRP -0.03 0.81 1 44 SER 3.11 -0.12 1 45 ASN 1.62 0.14 1 46 VAL -1.60 -0.39 1 47 THR -2.39 2.48 1 49 LEU -1.07 0.56 1 50 LYS -3.83 1.91 1 51 PHE -4.18 1.94 1 52 SER -3.52 1.91 1 53 LYS -1.06 0.12 1 54 ILE -4.11 2.00 1 55 ASN -0.65 1.10 1 56 THR -2.49 0.94 1 58 MET 0.72 -1.01 1 59 ALA -6.01 3.16 1 60 ASP 3.39 0.28 1 61 ILE -0.62 1.17 1 62 LEU -2.65 1.00 1 63 VAL -0.41 -0.05 1 64 VAL -5.74 4.36 1 65 PHE -1.79 1.09 1 66 ALA -5.08 3.68 1 67 ARG -5.10 2.97 1 69 ALA 1.84 -1.16 1 70 HIS 0.84 -0.98 1 72 ASP -2.24 -0.27 1 74 HIS -2.03 0.69 1 75 ALA 1.81 -0.82 1 76 PHE 0.64 -1.27 1 77 ASP -0.94 0.51 1 79 LYS 3.34 -1.06 1 82 ILE 2.25 -0.77 1 83 LEU 0.87 -0.39 1 84 ALA -4.18 3.28 1 85 HIS -2.60 1.81 1 86 ALA -6.65 4.75 1 87 PHE -2.92 1.72 1 91 SER -0.28 0.67 1 93 ILE 1.58 -0.87 1 96 ASP 3.85 -1.52 1 97 ALA -3.20 1.49 1 98 HIS -9.50 4.96 1 99 PHE -2.40 1.42 1 100 ASP 0.81 -0.98 1 101 GLU -1.85 1.46 1 102 ASP 4.41 -1.93 1 103 GLU 0.82 -3.75 1 104 PHE -1.62 -0.82 1 105 TRP -1.74 0.91 1 106 THR -3.98 2.01 1 107 THR 1.20 -0.55 1 108 HIS -1.19 1.53 1 109 SER 0.34 -0.26 1 112 THR 2.30 -1.33 1 113 ASN 0.06 2.51 1 114 LEU 5.22 -1.26 1 115 PHE 5.41 -1.72 1 116 LEU 1.41 1.32 1 117 THR 6.31 -1.49 1 118 ALA 5.59 -2.22 1 119 VAL 8.24 -1.98 1 120 HIS 4.73 -0.58 1 121 GLU 4.13 -3.24 1 122 ILE 4.38 -1.71 1 124 HIS 4.86 -1.58 1 126 LEU 0.25 -0.40 1 128 LEU -0.34 0.48 1 130 HIS -2.02 2.23 1 131 SER -4.73 1.65 1 132 SER -0.28 0.20 1 133 ASP -2.13 1.29 1 135 LYS 0.97 -1.20 1 136 ALA -1.00 0.50 1 137 VAL 3.65 -1.69 1 139 PHE 0.38 1.86 1 141 THR -3.24 1.64 1 143 LYS -2.68 1.71 1 144 TYR 3.09 -0.39 1 145 VAL -4.93 2.01 1 146 ASP 0.09 0.73 1 147 ILE 4.30 -1.03 1 148 ASN 3.03 -0.56 1 149 THR -0.59 -0.60 1 150 PHE 1.91 0.26 1 151 ARG -4.05 2.29 1 152 LEU -0.61 0.48 1 153 SER -2.80 2.09 1 154 ALA 4.32 -1.33 1 155 ASP 1.93 1.95 1 156 ASP 0.72 2.91 1 157 ILE 4.98 -0.42 1 158 ARG 4.17 -0.84 1 160 ILE 0.27 -0.25 1 161 GLN 5.32 -2.35 1 162 SER 3.92 -0.92 1 163 LEU 0.09 1.25 1 164 TYR -0.57 1.67 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6391_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.50 _LACS_plot.Line_1_terminator_val_y_1 0.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.08 _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 8.23 _LACS_plot.Line_2_terminator_val_y_2 -0.53 _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 98 HIS -9.50 1.21 0 117 THR 6.31 0.66 0 10 VAL -5.56 0.36 1 11 TRP 0.57 -0.14 1 12 ARG 1.66 0.19 1 13 LYS -2.77 0.26 1 14 HIS -2.56 0.15 1 15 TYR -0.73 0.34 1 16 ILE -3.53 0.05 1 17 THR -5.94 1.04 1 18 TYR -7.17 1.34 1 19 ARG -5.79 0.39 1 20 ILE 2.32 0.24 1 21 ASN 0.51 -0.35 1 22 ASN -0.61 -0.04 1 23 TYR -1.11 -0.42 1 24 THR 1.71 -0.23 1 26 ASP 1.15 -0.49 1 27 MET -8.29 0.17 1 28 ASN 0.78 -0.07 1 29 ARG 5.55 -0.52 1 30 GLU 4.29 -0.20 1 31 ASP 3.28 0.07 1 32 VAL 6.18 -0.52 1 33 ASP 4.55 -0.22 1 34 TYR 3.81 -0.28 1 35 ALA 3.78 -0.31 1 36 ILE 4.23 -0.60 1 37 ARG 4.92 -0.17 1 38 LYS 3.98 0.40 1 39 ALA 2.56 -0.36 1 40 PHE 7.06 -0.85 1 41 GLN 3.49 -0.09 1 42 VAL 5.79 -0.44 1 43 TRP -0.03 0.20 1 44 SER 3.11 -0.08 1 45 ASN 1.62 -0.05 1 46 VAL -1.60 0.77 1 47 THR -2.39 0.65 1 49 LEU -1.07 -0.13 1 50 LYS -3.83 0.00 1 51 PHE -4.18 1.14 1 52 SER -3.52 0.20 1 53 LYS -1.06 -0.84 1 54 ILE -4.11 0.51 1 55 ASN -0.65 0.14 1 56 THR -2.49 0.11 1 58 MET 0.72 0.02 1 59 ALA -6.01 0.26 1 60 ASP 3.39 -0.06 1 61 ILE -0.62 0.11 1 62 LEU -2.65 0.73 1 63 VAL -0.41 1.15 1 64 VAL -5.74 0.51 1 65 PHE -1.79 0.83 1 66 ALA -5.08 0.57 1 67 ARG -5.10 0.97 1 69 ALA 1.84 0.05 1 70 HIS 0.84 0.35 1 72 ASP -2.24 -0.05 1 74 HIS -2.03 -0.78 1 75 ALA 1.81 -0.09 1 76 PHE 0.64 0.38 1 77 ASP -0.94 0.07 1 79 LYS 3.34 -0.69 1 82 ILE 2.25 -0.22 1 83 LEU 0.87 0.26 1 84 ALA -4.18 0.37 1 85 HIS -2.60 -0.02 1 86 ALA -6.65 0.77 1 87 PHE -2.92 -0.33 1 91 SER -0.28 0.03 1 93 ILE 1.58 0.11 1 96 ASP 3.85 0.06 1 97 ALA -3.20 0.53 1 99 PHE -2.40 -0.32 1 100 ASP 0.81 -0.08 1 101 GLU -1.85 0.20 1 102 ASP 4.41 0.22 1 103 GLU 0.82 0.17 1 104 PHE -1.62 0.38 1 105 TRP -1.74 0.31 1 106 THR -3.98 0.31 1 107 THR 1.20 0.06 1 108 HIS -1.19 0.41 1 109 SER 0.34 -0.75 1 112 THR 2.30 -0.50 1 113 ASN 0.06 0.24 1 114 LEU 5.22 0.25 1 115 PHE 5.41 -0.56 1 116 LEU 1.41 -1.04 1 118 ALA 5.59 -0.36 1 119 VAL 8.24 -0.98 1 120 HIS 4.73 -0.87 1 121 GLU 4.13 -0.38 1 122 ILE 4.38 -0.61 1 124 HIS 4.86 -0.03 1 126 LEU 0.25 0.26 1 128 LEU -0.34 -0.17 1 130 HIS -2.02 0.78 1 131 SER -4.73 0.26 1 132 SER -0.28 0.33 1 133 ASP -2.13 -0.02 1 135 LYS 0.97 -0.04 1 136 ALA -1.00 0.32 1 137 VAL 3.65 0.45 1 138 MET 3.73 0.15 1 139 PHE 0.38 0.37 1 141 THR -3.24 0.19 1 143 LYS -2.68 -0.48 1 144 TYR 3.09 -0.80 1 145 VAL -4.93 -0.17 1 146 ASP 0.09 -0.35 1 147 ILE 4.30 -0.18 1 148 ASN 3.03 -0.13 1 149 THR -0.59 0.14 1 150 PHE 1.91 -0.37 1 151 ARG -4.05 -0.38 1 152 LEU -0.61 -0.39 1 153 SER -2.80 0.08 1 154 ALA 4.32 -0.20 1 155 ASP 1.93 -0.16 1 156 ASP 0.72 0.08 1 157 ILE 4.98 -0.47 1 158 ARG 4.17 -0.18 1 160 ILE 0.27 0.35 1 161 GLN 5.32 0.13 1 162 SER 3.92 -0.17 1 163 LEU 0.09 -0.15 1 164 TYR -0.57 0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6391_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.50 _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 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.77 _LACS_plot.Line_2_terminator_val_x_2 8.23 _LACS_plot.Line_2_terminator_val_y_2 2.47 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 HIS -9.50 -1.22 0 124 HIS 4.86 6.01 0 22 ASN -0.61 -5.47 0 10 VAL -5.56 0.07 1 11 TRP 0.57 0.78 1 12 ARG 1.66 -1.06 1 13 LYS -2.77 -2.29 1 14 HIS -2.56 -1.35 1 15 TYR -0.73 -2.13 1 16 ILE -3.53 -1.18 1 17 THR -5.94 -0.18 1 18 TYR -7.17 -4.13 1 19 ARG -5.79 -2.17 1 20 ILE 2.32 -1.31 1 21 ASN 0.51 -1.44 1 23 TYR -1.11 0.10 1 26 ASP 1.15 -0.57 1 27 MET -8.29 -1.58 1 28 ASN 0.78 2.01 1 29 ARG 5.55 1.65 1 30 GLU 4.29 2.69 1 31 ASP 3.28 2.84 1 32 VAL 6.18 0.83 1 33 ASP 4.55 3.26 1 34 TYR 3.81 0.45 1 35 ALA 3.78 1.46 1 36 ILE 4.23 0.74 1 37 ARG 4.92 3.43 1 38 LYS 3.98 2.02 1 39 ALA 2.56 0.77 1 40 PHE 7.06 2.83 1 41 GLN 3.49 1.75 1 42 VAL 5.79 1.82 1 43 TRP -0.03 4.40 1 44 SER 3.11 1.13 1 45 ASN 1.62 1.50 1 46 VAL -1.60 -1.79 1 47 THR -2.39 -0.07 1 49 LEU -1.07 -1.47 1 50 LYS -3.83 -2.96 1 51 PHE -4.18 0.70 1 52 SER -3.52 -3.56 1 53 LYS -1.06 -0.07 1 54 ILE -4.11 -1.00 1 55 ASN -0.65 -0.24 1 56 THR -2.49 -2.10 1 58 MET 0.72 -1.41 1 59 ALA -6.01 -1.45 1 60 ASP 3.39 0.57 1 61 ILE -0.62 -3.15 1 62 LEU -2.65 -2.01 1 63 VAL -0.41 -1.15 1 64 VAL -5.74 -1.55 1 65 PHE -1.79 0.29 1 66 ALA -5.08 -3.01 1 67 ARG -5.10 -0.48 1 69 ALA 1.84 -1.17 1 74 HIS -2.03 -1.77 1 75 ALA 1.81 2.52 1 76 PHE 0.64 0.43 1 77 ASP -0.94 0.95 1 79 LYS 3.34 1.02 1 82 ILE 2.25 -0.01 1 83 LEU 0.87 -1.73 1 84 ALA -4.18 -3.17 1 85 HIS -2.60 -2.46 1 86 ALA -6.65 -2.08 1 87 PHE -2.92 -0.13 1 91 SER -0.28 1.36 1 93 ILE 1.58 -2.16 1 96 ASP 3.85 -2.88 1 97 ALA -3.20 -3.17 1 99 PHE -2.40 -1.80 1 100 ASP 0.81 3.16 1 101 GLU -1.85 0.01 1 102 ASP 4.41 0.98 1 103 GLU 0.82 -1.68 1 104 PHE -1.62 -3.03 1 105 TRP -1.74 0.40 1 106 THR -3.98 1.20 1 107 THR 1.20 0.81 1 108 HIS -1.19 0.01 1 109 SER 0.34 0.79 1 112 THR 2.30 -1.94 1 113 ASN 0.06 1.44 1 114 LEU 5.22 -1.24 1 115 PHE 5.41 -0.15 1 116 LEU 1.41 1.30 1 117 THR 6.31 1.80 1 118 ALA 5.59 0.43 1 119 VAL 8.24 2.22 1 120 HIS 4.73 1.74 1 121 GLU 4.13 1.28 1 122 ILE 4.38 0.97 1 126 LEU 0.25 0.32 1 128 LEU -0.34 -0.27 1 130 HIS -2.02 0.98 1 131 SER -4.73 0.65 1 132 SER -0.28 -0.78 1 133 ASP -2.13 -0.18 1 135 LYS 0.97 0.04 1 136 ALA -1.00 1.56 1 137 VAL 3.65 0.32 1 138 MET 3.73 0.02 1 139 PHE 0.38 1.08 1 143 LYS -2.68 -3.22 1 144 TYR 3.09 -1.02 1 145 VAL -4.93 -4.19 1 146 ASP 0.09 2.93 1 147 ILE 4.30 1.03 1 148 ASN 3.03 1.27 1 149 THR -0.59 -0.84 1 150 PHE 1.91 -1.26 1 151 ARG -4.05 -1.79 1 152 LEU -0.61 -0.44 1 153 SER -2.80 0.28 1 154 ALA 4.32 2.47 1 155 ASP 1.93 2.42 1 156 ASP 0.72 1.48 1 157 ILE 4.98 1.08 1 158 ARG 4.17 4.07 1 160 ILE 0.27 1.47 1 161 GLN 5.32 3.24 1 162 SER 3.92 0.37 1 163 LEU 0.09 -0.02 1 164 TYR -0.57 -1.40 1 stop_ save_