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 bmr25048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.24 _LACS_plot.Line_1_terminator_val_y_1 -3.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.61 _LACS_plot.Line_2_terminator_val_x_2 6.92 _LACS_plot.Line_2_terminator_val_y_2 3.08 _LACS_plot.Y_axis_chem_shift_offset 1.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 ILE 6.15 3.72 0 175 LYS 5.60 -0.69 0 168 TYR -3.80 0.49 0 64 PHE -5.28 -6.04 0 73 TRP -4.01 0.60 0 42 ILE 3.99 3.88 0 10 THR 2.97 -0.90 1 11 VAL -2.96 -1.44 1 12 ALA -7.24 -3.71 1 14 LEU 0.24 -2.67 1 17 GLU -4.68 -3.58 1 18 MET 0.22 -0.60 1 19 PHE -5.10 -2.56 1 20 VAL -1.98 -2.09 1 21 PHE -1.86 -1.10 1 22 LYS -1.88 0.60 1 23 GLU 5.92 1.63 1 24 ARG 1.74 -0.65 1 25 TRP -3.40 -1.00 1 26 PHE -4.70 -2.81 1 27 TRP -5.17 -1.45 1 29 VAL -4.12 -3.85 1 30 ARG -2.46 -1.24 1 32 ASN 1.32 -1.18 1 33 GLN -4.36 -2.75 1 34 VAL 2.20 -0.04 1 35 MET 0.53 0.00 1 36 ASP 2.35 0.86 1 38 TYR 0.33 -2.02 1 40 MET -5.29 -3.61 1 44 GLN 0.92 -0.54 1 47 ARG 5.49 2.71 1 49 LEU 3.13 0.45 1 51 ALA -2.85 -2.89 1 52 SER 3.41 -1.19 1 53 ILE 0.62 -0.59 1 54 ASN -0.64 0.91 1 55 THR 1.61 -0.67 1 56 ALA -5.90 -2.58 1 57 TYR -3.19 -2.54 1 58 GLU -3.72 -3.60 1 59 ARG -1.34 -2.34 1 60 LYS 5.33 2.57 1 61 ASP 0.92 -1.99 1 63 LYS 2.59 -0.38 1 65 VAL -0.94 -2.90 1 66 PHE -5.91 -2.64 1 67 PHE -2.50 -1.42 1 68 LYS -0.36 0.40 1 70 ASP 1.12 -2.08 1 71 LYS -5.89 -2.96 1 72 HIS -3.61 -1.73 1 74 VAL -1.45 -2.57 1 76 ASP -1.91 -3.12 1 79 SER -0.60 -1.62 1 80 LEU 1.93 -0.93 1 81 GLU -0.72 -2.50 1 84 TYR 0.12 -1.93 1 86 LYS -6.65 -3.15 1 87 HIS 1.11 1.81 1 90 GLU 1.08 -1.05 1 91 LEU 3.31 1.36 1 93 ARG 0.03 -0.64 1 95 LEU -0.40 -3.75 1 97 THR -0.02 -1.37 1 98 ASP 1.37 -0.56 1 99 LYS -0.51 -2.00 1 100 ILE -2.27 -3.04 1 101 ASP 2.72 1.98 1 102 ALA -2.18 -2.18 1 103 ALA -4.98 -2.51 1 104 LEU -4.95 -2.94 1 105 PHE 1.02 -0.56 1 106 TRP -1.37 -3.05 1 107 MET 6.93 3.04 1 109 ASN -1.83 -2.59 1 111 LYS -1.29 -2.29 1 112 THR -1.55 -1.63 1 113 TYR -3.85 -3.08 1 114 PHE -4.70 -4.06 1 115 PHE -1.22 -1.42 1 116 ARG -1.55 -2.08 1 118 ASN 0.18 -2.37 1 119 LYS -5.88 -2.54 1 120 TYR -5.29 -3.05 1 121 TYR -2.40 -1.60 1 122 ARG -0.77 -1.80 1 123 PHE -3.75 -1.45 1 124 ASN -1.43 -2.42 1 125 GLU 2.74 1.16 1 126 GLU 4.05 1.69 1 127 LEU 0.08 -1.91 1 128 ARG 5.78 -0.48 1 129 ALA -4.09 -2.31 1 130 VAL 1.01 -0.40 1 131 ASP 0.43 -0.03 1 132 SER 2.93 1.35 1 133 GLU 4.22 0.14 1 134 TYR -0.07 -1.94 1 136 LYS -5.16 -2.78 1 137 ASN -0.30 -0.32 1 138 ILE 1.83 1.96 1 139 LYS 4.20 1.17 1 140 VAL 4.04 2.42 1 144 ILE -0.52 -2.11 1 146 GLU 1.39 -1.16 1 147 SER -1.37 -2.11 1 149 ARG -2.89 -3.27 1 151 SER -1.75 -2.79 1 152 PHE -1.03 -0.51 1 153 MET -0.99 -1.87 1 156 ASP 4.75 2.19 1 158 VAL -4.02 -2.53 1 159 PHE -0.19 -0.06 1 160 THR -2.75 -1.98 1 161 TYR -4.57 -2.26 1 162 PHE -5.10 -2.26 1 163 TYR -0.28 1.58 1 164 LYS -4.50 -1.89 1 167 LYS -6.23 -3.11 1 169 TRP -1.97 -0.58 1 171 PHE -0.57 -1.14 1 172 ASN 2.87 1.48 1 173 ASN 3.34 0.89 1 174 GLN -0.09 -1.00 1 176 LEU -4.23 -2.28 1 177 LYS 2.28 0.42 1 178 VAL -2.26 -2.70 1 179 GLU -0.29 -2.02 1 182 TYR -5.01 -2.75 1 184 LYS 2.64 0.27 1 186 ALA 5.32 1.42 1 187 LEU 1.98 0.35 1 188 ARG 3.44 0.83 1 189 ASP -3.60 -3.53 1 190 TRP 0.51 -2.76 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.24 _LACS_plot.Line_1_terminator_val_y_1 3.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.61 _LACS_plot.Line_2_terminator_val_x_2 6.92 _LACS_plot.Line_2_terminator_val_y_2 -3.84 _LACS_plot.Y_axis_chem_shift_offset 1.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 ILE 6.15 -2.43 0 175 LYS 5.60 -6.29 0 168 TYR -3.80 4.29 0 64 PHE -5.28 -0.76 0 73 TRP -4.01 4.61 0 42 ILE 3.99 -0.11 0 10 THR 2.97 -3.87 1 11 VAL -2.96 1.52 1 12 ALA -7.24 3.53 1 14 LEU 0.24 -2.91 1 17 GLU -4.68 1.10 1 18 MET 0.22 -0.82 1 19 PHE -5.10 2.54 1 20 VAL -1.98 -0.11 1 21 PHE -1.86 0.76 1 22 LYS -1.88 2.48 1 23 GLU 5.92 -4.29 1 24 ARG 1.74 -2.39 1 25 TRP -3.40 2.40 1 26 PHE -4.70 1.89 1 27 TRP -5.17 3.72 1 29 VAL -4.12 0.27 1 30 ARG -2.46 1.22 1 32 ASN 1.32 -2.50 1 33 GLN -4.36 1.61 1 34 VAL 2.20 -2.24 1 35 MET 0.53 -0.53 1 36 ASP 2.35 -1.49 1 38 TYR 0.33 -2.35 1 40 MET -5.29 1.68 1 44 GLN 0.92 -1.46 1 47 ARG 5.49 -2.78 1 49 LEU 3.13 -2.68 1 51 ALA -2.85 -0.04 1 52 SER 3.41 -4.60 1 53 ILE 0.62 -1.21 1 54 ASN -0.64 1.55 1 55 THR 1.61 -2.28 1 56 ALA -5.90 3.32 1 57 TYR -3.19 0.65 1 58 GLU -3.72 0.12 1 59 ARG -1.34 -1.00 1 60 LYS 5.33 -2.76 1 61 ASP 0.92 -2.91 1 63 LYS 2.59 -2.97 1 65 VAL -0.94 -1.96 1 66 PHE -5.91 3.27 1 67 PHE -2.50 1.08 1 68 LYS -0.36 0.76 1 70 ASP 1.12 -3.20 1 71 LYS -5.89 2.93 1 72 HIS -3.61 1.88 1 74 VAL -1.45 -1.12 1 76 ASP -1.91 -1.21 1 79 SER -0.60 -1.02 1 80 LEU 1.93 -2.86 1 81 GLU -0.72 -1.78 1 84 TYR 0.12 -2.05 1 86 LYS -6.65 3.50 1 87 HIS 1.11 0.70 1 90 GLU 1.08 -2.13 1 91 LEU 3.31 -1.95 1 93 ARG 0.03 -0.67 1 95 LEU -0.40 -3.35 1 97 THR -0.02 -1.35 1 98 ASP 1.37 -1.93 1 99 LYS -0.51 -1.49 1 100 ILE -2.27 -0.77 1 101 ASP 2.72 -0.74 1 102 ALA -2.18 0.00 1 103 ALA -4.98 2.47 1 104 LEU -4.95 2.01 1 105 PHE 1.02 -1.58 1 106 TRP -1.37 -1.68 1 107 MET 6.93 -3.89 1 109 ASN -1.83 -0.76 1 111 LYS -1.29 -1.00 1 112 THR -1.55 -0.08 1 113 TYR -3.85 0.77 1 114 PHE -4.70 0.64 1 115 PHE -1.22 -0.20 1 116 ARG -1.55 -0.53 1 118 ASN 0.18 -2.55 1 119 LYS -5.88 3.34 1 120 TYR -5.29 2.24 1 121 TYR -2.40 0.80 1 122 ARG -0.77 -1.03 1 123 PHE -3.75 2.30 1 124 ASN -1.43 -0.99 1 125 GLU 2.74 -1.58 1 126 GLU 4.05 -2.36 1 127 LEU 0.08 -1.99 1 128 ARG 5.78 -6.26 1 129 ALA -4.09 1.78 1 130 VAL 1.01 -1.41 1 131 ASP 0.43 -0.46 1 132 SER 2.93 -1.58 1 133 GLU 4.22 -4.08 1 134 TYR -0.07 -1.87 1 136 LYS -5.16 2.38 1 137 ASN -0.30 -0.02 1 138 ILE 1.83 0.13 1 139 LYS 4.20 -3.03 1 140 VAL 4.04 -1.62 1 144 ILE -0.52 -1.59 1 146 GLU 1.39 -2.55 1 147 SER -1.37 -0.74 1 149 ARG -2.89 -0.38 1 151 SER -1.75 -1.04 1 152 PHE -1.03 0.52 1 153 MET -0.99 -0.88 1 156 ASP 4.75 -2.56 1 158 VAL -4.02 1.49 1 159 PHE -0.19 0.13 1 160 THR -2.75 0.77 1 161 TYR -4.57 2.31 1 162 PHE -5.10 2.84 1 163 TYR -0.28 1.86 1 164 LYS -4.50 2.61 1 167 LYS -6.23 3.12 1 169 TRP -1.97 1.39 1 171 PHE -0.57 -0.57 1 172 ASN 2.87 -1.39 1 173 ASN 3.34 -2.45 1 174 GLN -0.09 -0.91 1 176 LEU -4.23 1.95 1 177 LYS 2.28 -1.86 1 178 VAL -2.26 -0.44 1 179 GLU -0.29 -1.73 1 182 TYR -5.01 2.26 1 184 LYS 2.64 -2.37 1 186 ALA 5.32 -3.90 1 187 LEU 1.98 -1.63 1 188 ARG 3.44 -2.61 1 189 ASP -3.60 0.07 1 190 TRP 0.51 -3.27 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.24 _LACS_plot.Line_1_terminator_val_y_1 -5.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.14 _LACS_plot.Line_2_terminator_val_x_2 6.92 _LACS_plot.Line_2_terminator_val_y_2 -2.26 _LACS_plot.Y_axis_chem_shift_offset 3.72 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 87 HIS 1.11 1.86 0 10 THR 2.97 -6.12 1 11 VAL -2.96 -5.76 1 12 ALA -7.24 -5.91 1 14 LEU 0.24 -4.55 1 17 GLU -4.68 -6.10 1 18 MET 0.22 -4.97 1 19 PHE -5.10 -4.64 1 20 VAL -1.98 -4.17 1 21 PHE -1.86 -2.09 1 22 LYS -1.88 -5.60 1 23 GLU 5.92 -2.15 1 24 ARG 1.74 -4.09 1 25 TRP -3.40 -4.75 1 26 PHE -4.70 -6.20 1 27 TRP -5.17 -4.94 1 29 VAL -4.12 -4.73 1 30 ARG -2.46 -3.28 1 32 ASN 1.32 -4.37 1 33 GLN -4.36 -4.13 1 34 VAL 2.20 -1.92 1 35 MET 0.53 -3.26 1 36 ASP 2.35 -2.03 1 38 TYR 0.33 -5.36 1 40 MET -5.29 -6.53 1 42 ILE 3.99 -0.82 1 44 GLN 0.92 -3.58 1 47 ARG 5.49 -2.37 1 51 ALA -2.85 -3.12 1 52 SER 3.41 -1.57 1 53 ILE 0.62 -4.29 1 55 THR 1.61 -6.80 1 56 ALA -5.90 -5.06 1 57 TYR -3.19 -7.94 1 58 GLU -3.72 -4.46 1 59 ARG -1.34 -1.71 1 60 LYS 5.33 -2.23 1 61 ASP 0.92 -1.99 1 63 LYS 2.59 -4.50 1 64 PHE -5.28 -4.05 1 65 VAL -0.94 -4.64 1 66 PHE -5.91 -3.03 1 67 PHE -2.50 -2.50 1 68 LYS -0.36 -3.20 1 70 ASP 1.12 -3.58 1 71 LYS -5.89 -4.47 1 72 HIS -3.61 -4.87 1 73 TRP -4.01 -5.49 1 76 ASP -1.91 -2.84 1 79 SER -0.60 -3.68 1 80 LEU 1.93 -3.63 1 81 GLU -0.72 -5.24 1 84 TYR 0.12 -5.40 1 86 LYS -6.65 -3.44 1 88 ILE 6.15 -0.90 1 90 GLU 1.08 -1.07 1 91 LEU 3.31 -3.61 1 93 ARG 0.03 -1.98 1 95 LEU -0.40 -6.14 1 97 THR -0.02 -3.33 1 98 ASP 1.37 -4.65 1 99 LYS -0.51 -7.19 1 100 ILE -2.27 -4.32 1 101 ASP 2.72 -4.21 1 102 ALA -2.18 -5.93 1 103 ALA -4.98 -6.55 1 104 LEU -4.95 -6.07 1 105 PHE 1.02 -4.69 1 106 TRP -1.37 -5.48 1 107 MET 6.93 -4.41 1 109 ASN -1.83 -1.54 1 111 LYS -1.29 -5.92 1 112 THR -1.55 -4.01 1 113 TYR -3.85 -4.45 1 114 PHE -4.70 -3.42 1 115 PHE -1.22 -3.38 1 116 ARG -1.55 -3.22 1 118 ASN 0.18 -3.15 1 119 LYS -5.88 -4.25 1 120 TYR -5.29 -6.21 1 121 TYR -2.40 -5.18 1 122 ARG -0.77 -6.70 1 123 PHE -3.75 -6.30 1 124 ASN -1.43 -2.55 1 125 GLU 2.74 -1.06 1 126 GLU 4.05 -1.08 1 127 LEU 0.08 -3.84 1 128 ARG 5.78 -3.99 1 129 ALA -4.09 -3.83 1 130 VAL 1.01 -3.53 1 131 ASP 0.43 -2.07 1 133 GLU 4.22 -5.28 1 134 TYR -0.07 -5.50 1 136 LYS -5.16 -5.11 1 137 ASN -0.30 -1.29 1 138 ILE 1.83 -3.23 1 139 LYS 4.20 -2.20 1 144 ILE -0.52 -3.18 1 146 GLU 1.39 -1.16 1 147 SER -1.37 -0.72 1 149 ARG -2.89 -3.80 1 151 SER -1.75 -4.86 1 152 PHE -1.03 -1.96 1 153 MET -0.99 -2.76 1 156 ASP 4.75 -4.15 1 158 VAL -4.02 -2.73 1 159 PHE -0.19 -5.10 1 160 THR -2.75 -4.19 1 161 TYR -4.57 -3.66 1 162 PHE -5.10 -4.34 1 163 TYR -0.28 -2.60 1 164 LYS -4.50 -6.01 1 167 LYS -6.23 -6.09 1 168 TYR -3.80 -5.41 1 169 TRP -1.97 -5.40 1 171 PHE -0.57 -3.48 1 172 ASN 2.87 -2.53 1 173 ASN 3.34 -1.07 1 174 GLN -0.09 -4.04 1 175 LYS 5.60 -5.50 1 176 LEU -4.23 -2.60 1 177 LYS 2.28 -3.53 1 178 VAL -2.26 -5.36 1 179 GLU -0.29 -5.22 1 182 TYR -5.01 -4.44 1 184 LYS 2.64 -1.18 1 186 ALA 5.32 -3.01 1 187 LEU 1.98 -0.86 1 188 ARG 3.44 -2.11 1 189 ASP -3.60 -1.90 1 190 TRP 0.51 -3.32 1 stop_ save_