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 bmr27472_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.34 _LACS_plot.Line_1_terminator_val_y_1 -2.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.72 _LACS_plot.Line_2_terminator_val_x_2 8.99 _LACS_plot.Line_2_terminator_val_y_2 6.48 _LACS_plot.Y_axis_chem_shift_offset 0.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 42 LYS -5.52 -1.05 0 93 ILE 5.26 0.91 0 111 MET -5.42 -0.68 0 11 ALA -0.80 -0.48 1 14 VAL 1.59 0.31 1 16 LYS 8.17 4.53 1 18 ALA 2.53 1.42 1 19 LEU 2.93 3.25 1 20 THR 8.99 5.79 1 22 GLN 3.86 3.16 1 23 LEU 4.55 2.67 1 24 ILE 2.01 0.48 1 25 GLN -1.76 -0.96 1 26 ASN 2.72 1.08 1 27 HIS -3.81 -1.03 1 28 PHE -3.10 -2.70 1 43 GLN -0.60 -0.55 1 44 VAL -5.70 -2.86 1 45 VAL 0.13 -0.98 1 46 ILE -1.99 -1.21 1 47 ASP 2.28 0.69 1 49 GLU -3.86 -2.32 1 50 THR 3.04 1.58 1 52 LEU -3.23 -2.11 1 53 LEU -3.05 -1.92 1 54 ASP -1.46 -1.13 1 55 ILE -2.97 -1.18 1 56 LEU -2.37 -1.61 1 73 ARG 4.06 3.06 1 74 THR 0.88 0.85 1 76 GLU -2.27 -0.42 1 78 PHE -4.07 -1.05 1 79 LEU -1.73 -1.72 1 81 VAL -1.33 -1.26 1 82 PHE -3.63 -2.76 1 83 ALA -5.43 -3.12 1 84 ILE 2.47 1.73 1 85 ASN -0.49 -1.32 1 86 ASN -1.89 -1.61 1 87 THR 5.83 4.58 1 88 LYS 5.03 2.89 1 89 SER 2.99 2.96 1 90 PHE 1.54 1.79 1 91 GLU 3.04 2.02 1 92 ASP 1.40 1.60 1 94 HIS 3.90 3.96 1 95 HIS 3.28 2.64 1 96 TYR 5.84 4.75 1 97 ARG 5.76 3.50 1 98 GLU 3.06 1.91 1 99 GLN 4.24 2.65 1 100 ILE 5.25 4.13 1 101 LYS 4.37 3.05 1 102 ARG 3.97 2.62 1 103 VAL 4.27 2.77 1 104 LYS 0.77 -1.28 1 105 ASP 1.49 0.08 1 106 SER -2.77 -1.61 1 107 GLU -0.80 -0.58 1 108 ASP -1.53 -1.51 1 109 VAL -3.14 -1.27 1 112 VAL -5.56 -1.65 1 113 LEU -2.76 -1.68 1 114 VAL -4.11 -2.48 1 116 ASN -4.13 -1.82 1 117 LYS 4.64 0.83 1 119 ASP -0.83 -0.54 1 120 LEU 0.02 -0.43 1 122 SER -0.93 -2.28 1 123 ARG -1.46 -0.44 1 124 THR 0.13 -0.39 1 125 VAL -1.04 -1.21 1 126 ASP -1.50 -0.41 1 127 THR 5.60 4.95 1 128 LYS 4.49 2.81 1 129 GLN 3.30 2.42 1 130 ALA 2.52 1.89 1 131 GLN 3.99 2.82 1 132 ASP 4.00 2.60 1 133 LEU 3.37 2.14 1 134 ALA 3.99 2.86 1 135 ARG 4.44 2.96 1 136 SER 3.84 2.77 1 137 TYR -3.26 -3.56 1 139 ILE -0.20 -0.51 1 141 PHE -5.80 -3.35 1 142 ILE -5.31 -2.18 1 143 GLU -1.89 -1.49 1 144 THR -6.34 -2.39 1 145 SER -1.99 -1.14 1 146 ALA 2.48 1.59 1 147 LYS 1.52 1.68 1 148 THR -0.57 -0.70 1 149 ARG 3.02 2.35 1 150 GLN 2.34 1.25 1 152 VAL 6.99 5.53 1 153 ASP 4.63 2.78 1 154 ASP 3.58 2.48 1 155 ALA 5.43 3.28 1 156 PHE 5.36 4.83 1 157 TYR 3.90 0.32 1 158 THR 6.98 5.43 1 159 LEU 5.12 2.42 1 160 VAL 7.42 4.80 1 161 ARG 6.14 4.26 1 162 GLU 1.84 1.85 1 163 ILE 5.76 4.69 1 164 ARG 4.42 3.79 1 165 LYS 3.21 2.31 1 166 HIS 2.19 2.25 1 167 LYS 0.83 0.65 1 168 GLU -0.14 -0.37 1 169 LYS 1.48 1.43 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27472_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.34 _LACS_plot.Line_1_terminator_val_y_1 3.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 8.99 _LACS_plot.Line_2_terminator_val_y_2 -2.51 _LACS_plot.Y_axis_chem_shift_offset 0.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 42 LYS -5.52 4.47 0 93 ILE 5.26 -4.35 0 111 MET -5.42 4.74 0 11 ALA -0.80 0.32 1 14 VAL 1.59 -1.28 1 16 LYS 8.17 -3.64 1 18 ALA 2.53 -1.11 1 19 LEU 2.93 0.32 1 20 THR 8.99 -3.20 1 22 GLN 3.86 -0.70 1 23 LEU 4.55 -1.88 1 24 ILE 2.01 -1.53 1 25 GLN -1.76 0.80 1 26 ASN 2.72 -1.64 1 27 HIS -3.81 2.78 1 28 PHE -3.10 0.40 1 43 GLN -0.60 0.05 1 44 VAL -5.70 2.84 1 45 VAL 0.13 -1.11 1 46 ILE -1.99 0.78 1 47 ASP 2.28 -1.59 1 49 GLU -3.86 1.54 1 50 THR 3.04 -1.46 1 52 LEU -3.23 1.12 1 53 LEU -3.05 1.13 1 54 ASP -1.46 0.33 1 55 ILE -2.97 1.79 1 56 LEU -2.37 0.76 1 73 ARG 4.06 -1.00 1 74 THR 0.88 -0.03 1 76 GLU -2.27 1.85 1 78 PHE -4.07 3.02 1 79 LEU -1.73 0.01 1 81 VAL -1.33 0.07 1 82 PHE -3.63 0.87 1 83 ALA -5.43 2.31 1 84 ILE 2.47 -0.74 1 85 ASN -0.49 -0.83 1 86 ASN -1.89 0.28 1 87 THR 5.83 -1.25 1 88 LYS 5.03 -2.14 1 89 SER 2.99 -0.03 1 90 PHE 1.54 0.25 1 91 GLU 3.04 -1.02 1 92 ASP 1.40 0.20 1 94 HIS 3.90 0.06 1 95 HIS 3.28 -0.64 1 96 TYR 5.84 -1.09 1 97 ARG 5.76 -2.26 1 98 GLU 3.06 -1.15 1 99 GLN 4.24 -1.59 1 100 ILE 5.25 -1.12 1 101 LYS 4.37 -1.32 1 102 ARG 3.97 -1.35 1 103 VAL 4.27 -1.50 1 104 LYS 0.77 -2.05 1 105 ASP 1.49 -1.41 1 106 SER -2.77 1.16 1 107 GLU -0.80 0.22 1 108 ASP -1.53 0.02 1 109 VAL -3.14 1.87 1 112 VAL -5.56 3.91 1 113 LEU -2.76 1.08 1 114 VAL -4.11 1.63 1 116 ASN -4.13 2.31 1 117 LYS 4.64 -3.81 1 119 ASP -0.83 0.29 1 120 LEU 0.02 -0.45 1 122 SER -0.93 -1.35 1 123 ARG -1.46 1.02 1 124 THR 0.13 -0.52 1 125 VAL -1.04 -0.17 1 126 ASP -1.50 1.09 1 127 THR 5.60 -0.65 1 128 LYS 4.49 -1.68 1 129 GLN 3.30 -0.88 1 130 ALA 2.52 -0.63 1 131 GLN 3.99 -1.17 1 132 ASP 4.00 -1.40 1 133 LEU 3.37 -1.23 1 134 ALA 3.99 -1.13 1 135 ARG 4.44 -1.48 1 136 SER 3.84 -1.07 1 137 TYR -3.26 -0.30 1 139 ILE -0.20 -0.31 1 141 PHE -5.80 2.45 1 142 ILE -5.31 3.13 1 143 GLU -1.89 0.40 1 144 THR -6.34 3.95 1 145 SER -1.99 0.85 1 146 ALA 2.48 -0.89 1 147 LYS 1.52 0.16 1 148 THR -0.57 -0.13 1 149 ARG 3.02 -0.67 1 150 GLN 2.34 -1.09 1 152 VAL 6.99 -1.46 1 153 ASP 4.63 -1.85 1 154 ASP 3.58 -1.10 1 155 ALA 5.43 -2.15 1 156 PHE 5.36 -0.53 1 157 TYR 3.90 -3.58 1 158 THR 6.98 -1.55 1 159 LEU 5.12 -2.70 1 160 VAL 7.42 -2.62 1 161 ARG 6.14 -1.88 1 162 GLU 1.84 0.01 1 163 ILE 5.76 -1.07 1 164 ARG 4.42 -0.63 1 165 LYS 3.21 -0.90 1 166 HIS 2.19 0.06 1 167 LYS 0.83 -0.18 1 168 GLU -0.14 -0.23 1 169 LYS 1.48 -0.05 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27472_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.34 _LACS_plot.Line_1_terminator_val_y_1 0.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 8.99 _LACS_plot.Line_2_terminator_val_y_2 -0.93 _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 147 LYS 1.52 -1.86 0 11 ALA -0.80 -0.82 1 14 VAL 1.59 -0.13 1 19 LEU 2.93 -0.46 1 20 THR 8.99 -0.93 1 24 ILE 2.01 -0.46 1 25 GLN -1.76 0.24 1 26 ASN 2.72 0.10 1 43 GLN -0.60 0.98 1 44 VAL -5.70 -0.60 1 45 VAL 0.13 0.54 1 46 ILE -1.99 -0.20 1 49 GLU -3.86 0.27 1 50 THR 3.04 0.25 1 52 LEU -3.23 0.57 1 53 LEU -3.05 0.51 1 56 LEU -2.37 0.50 1 74 THR 0.88 0.23 1 78 PHE -4.07 0.84 1 79 LEU -1.73 0.32 1 81 VAL -1.33 0.84 1 82 PHE -3.63 0.40 1 83 ALA -5.43 0.77 1 84 ILE 2.47 -0.13 1 85 ASN -0.49 0.30 1 86 ASN -1.89 0.35 1 87 THR 5.83 0.74 1 88 LYS 5.03 -0.13 1 89 SER 2.99 -0.23 1 90 PHE 1.54 -0.57 1 91 GLU 3.04 -0.55 1 92 ASP 1.40 -0.13 1 93 ILE 5.26 -0.19 1 95 HIS 3.28 -0.45 1 96 TYR 5.84 -0.55 1 99 GLN 4.24 -0.44 1 100 ILE 5.25 -0.92 1 101 LYS 4.37 -0.27 1 102 ARG 3.97 -0.25 1 103 VAL 4.27 -0.35 1 104 LYS 0.77 -0.09 1 105 ASP 1.49 -0.31 1 106 SER -2.77 0.09 1 107 GLU -0.80 -0.07 1 108 ASP -1.53 0.22 1 109 VAL -3.14 -0.17 1 111 MET -5.42 1.24 1 112 VAL -5.56 1.06 1 114 VAL -4.11 0.95 1 116 ASN -4.13 0.88 1 119 ASP -0.83 -0.14 1 120 LEU 0.02 -0.18 1 122 SER -0.93 0.07 1 123 ARG -1.46 -0.22 1 124 THR 0.13 0.19 1 125 VAL -1.04 -0.13 1 126 ASP -1.50 -0.10 1 127 THR 5.60 0.72 1 128 LYS 4.49 -0.30 1 130 ALA 2.52 -0.43 1 131 GLN 3.99 -0.61 1 132 ASP 4.00 -0.28 1 133 LEU 3.37 -0.47 1 134 ALA 3.99 0.35 1 135 ARG 4.44 -0.15 1 136 SER 3.84 -0.19 1 137 TYR -3.26 0.37 1 139 ILE -0.20 0.80 1 141 PHE -5.80 1.52 1 142 ILE -5.31 -0.27 1 143 GLU -1.89 0.36 1 144 THR -6.34 0.69 1 145 SER -1.99 0.39 1 146 ALA 2.48 -0.42 1 148 THR -0.57 -0.22 1 149 ARG 3.02 -0.23 1 150 GLN 2.34 -0.26 1 152 VAL 6.99 -0.90 1 153 ASP 4.63 -0.81 1 154 ASP 3.58 -0.48 1 155 ALA 5.43 -0.58 1 156 PHE 5.36 -0.70 1 157 TYR 3.90 -0.22 1 158 THR 6.98 -0.44 1 159 LEU 5.12 -0.43 1 160 VAL 7.42 -0.63 1 161 ARG 6.14 -0.57 1 162 GLU 1.84 -0.24 1 164 ARG 4.42 -0.32 1 165 LYS 3.21 0.15 1 166 HIS 2.19 -1.27 1 167 LYS 0.83 -0.02 1 169 LYS 1.48 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27472_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.34 _LACS_plot.Line_1_terminator_val_y_1 -2.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.59 _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 8.16 _LACS_plot.Line_2_terminator_val_y_2 2.78 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 56 LEU -2.37 -5.69 0 144 THR -6.34 1.82 0 11 ALA -0.80 -0.37 1 14 VAL 1.59 -1.70 1 16 LYS 8.17 2.47 1 18 ALA 2.53 4.51 1 19 LEU 2.93 -0.01 1 22 GLN 3.86 1.08 1 23 LEU 4.55 0.73 1 24 ILE 2.01 1.20 1 25 GLN -1.76 0.40 1 26 ASN 2.72 -0.99 1 27 HIS -3.81 -1.77 1 28 PHE -3.10 -1.38 1 42 LYS -5.52 -2.91 1 43 GLN -0.60 -0.76 1 44 VAL -5.70 -3.11 1 45 VAL 0.13 -0.63 1 46 ILE -1.99 0.12 1 47 ASP 2.28 -0.07 1 49 GLU -3.86 -1.00 1 50 THR 3.04 -1.15 1 52 LEU -3.23 -2.63 1 53 LEU -3.05 -3.05 1 55 ILE -2.97 -1.98 1 74 THR 0.88 1.21 1 76 GLU -2.27 0.00 1 78 PHE -4.07 -0.76 1 79 LEU -1.73 -2.08 1 81 VAL -1.33 -1.09 1 82 PHE -3.63 -4.56 1 83 ALA -5.43 1.42 1 84 ILE 2.47 -2.34 1 85 ASN -0.49 -0.53 1 86 ASN -1.89 -0.05 1 87 THR 5.83 1.55 1 88 LYS 5.03 1.51 1 89 SER 2.99 1.35 1 90 PHE 1.54 1.56 1 91 GLU 3.04 -0.46 1 92 ASP 1.40 1.87 1 94 HIS 3.90 2.78 1 95 HIS 3.28 3.37 1 96 TYR 5.84 -1.25 1 97 ARG 5.76 0.97 1 103 VAL 4.27 -0.45 1 104 LYS 0.77 -0.57 1 105 ASP 1.49 -1.68 1 106 SER -2.77 -1.19 1 107 GLU -0.80 -0.47 1 108 ASP -1.53 -1.99 1 109 VAL -3.14 -0.84 1 111 MET -5.42 -2.63 1 112 VAL -5.56 -2.98 1 113 LEU -2.76 -4.22 1 114 VAL -4.11 -2.45 1 116 ASN -4.13 -0.62 1 117 LYS 4.64 0.80 1 119 ASP -0.83 -0.70 1 120 LEU 0.02 0.54 1 122 SER -0.93 -1.81 1 123 ARG -1.46 -0.13 1 125 VAL -1.04 -1.16 1 126 ASP -1.50 0.31 1 127 THR 5.60 1.02 1 128 LYS 4.49 1.84 1 129 GLN 3.30 3.38 1 130 ALA 2.52 0.25 1 131 GLN 3.99 3.52 1 132 ASP 4.00 2.60 1 133 LEU 3.37 1.46 1 134 ALA 3.99 2.07 1 135 ARG 4.44 3.78 1 136 SER 3.84 2.88 1 137 TYR -3.26 0.28 1 139 ILE -0.20 -2.09 1 141 PHE -5.80 -2.04 1 142 ILE -5.31 -3.59 1 143 GLU -1.89 -0.40 1 145 SER -1.99 1.09 1 147 LYS 1.52 0.38 1 150 GLN 2.34 1.07 1 152 VAL 6.99 0.33 1 153 ASP 4.63 0.95 1 154 ASP 3.58 3.05 1 155 ALA 5.43 0.01 1 156 PHE 5.36 2.33 1 157 TYR 3.90 3.15 1 158 THR 6.98 1.13 1 159 LEU 5.12 0.17 1 160 VAL 7.42 1.18 1 161 ARG 6.14 3.32 1 162 GLU 1.84 3.10 1 163 ILE 5.76 2.42 1 164 ARG 4.42 2.60 1 165 LYS 3.21 1.51 1 166 HIS 2.19 1.16 1 167 LYS 0.83 0.18 1 168 GLU -0.14 -1.07 1 169 LYS 1.48 3.84 1 stop_ save_