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 bmr26759_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 -2.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.26 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 4.43 _LACS_plot.Y_axis_chem_shift_offset 0.71 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 120 HIS 3.52 4.48 0 54 HIS -5.63 -0.24 0 50 MET 6.86 0.71 0 10 LYS -0.02 1.08 1 12 TYR -3.72 -0.92 1 14 LYS 1.51 -0.16 1 15 VAL 2.73 1.09 1 16 GLN -3.56 -1.78 1 17 ILE -1.75 -1.30 1 18 TYR -0.79 -0.62 1 19 THR -1.92 -1.57 1 20 ALA -1.72 -1.68 1 21 ASP -2.16 -0.57 1 22 ILE 4.67 2.56 1 23 SER 3.01 1.79 1 24 GLU -1.50 -1.36 1 25 ILE 0.84 -0.36 1 27 LYS -3.68 -2.06 1 29 ASN -2.17 -1.50 1 31 LYS -2.33 -1.85 1 33 THR -0.35 -1.76 1 34 ASP 1.25 0.15 1 35 GLU 2.88 1.96 1 36 ASN 0.07 0.25 1 40 PHE 4.29 3.02 1 41 ASP 0.67 -0.83 1 42 SER -1.78 0.10 1 43 GLU 0.88 -1.49 1 45 LEU 2.35 2.44 1 46 ASN 5.21 2.05 1 47 ARG 5.40 3.95 1 48 MET 3.86 2.83 1 49 LEU -0.26 -1.43 1 51 PHE -2.59 -2.54 1 52 GLU -1.54 0.05 1 56 GLN 1.41 0.58 1 57 VAL -0.65 0.33 1 60 ALA 0.67 -0.30 1 62 GLU 2.48 0.72 1 63 PHE 0.81 -0.22 1 65 GLN 1.90 -0.59 1 66 ASN -1.70 -1.45 1 67 GLN 0.02 -1.07 1 69 PHE 4.82 2.48 1 70 THR 6.66 4.96 1 71 LYS 2.69 1.33 1 72 ARG 5.14 0.42 1 73 GLN 0.84 -1.53 1 74 TYR -3.23 -4.47 1 76 GLU 1.39 0.94 1 77 THR -6.19 -2.68 1 78 LYS -3.93 -1.68 1 79 ILE 0.39 -0.61 1 80 ILE -5.40 -2.60 1 81 LYS 1.42 -0.04 1 82 THR -2.94 -2.24 1 85 LYS 0.74 -1.81 1 87 TRP -2.42 -1.01 1 89 LEU -7.10 -1.97 1 95 ILE -3.20 -1.49 1 96 ARG -1.75 -1.54 1 97 LYS 3.98 2.58 1 99 GLU 1.08 1.59 1 100 PHE 0.07 -0.53 1 101 VAL 0.69 0.12 1 102 ASN -4.86 -1.48 1 103 GLU -4.99 -3.17 1 104 TYR 1.16 -0.24 1 105 VAL -5.73 -4.35 1 107 GLU -2.33 -1.18 1 108 LEU -2.55 -1.46 1 109 ILE -4.75 -2.55 1 110 ASP -3.49 -3.65 1 111 GLU 4.31 3.49 1 112 GLU 3.91 2.81 1 113 GLU 3.15 1.30 1 115 MET 4.46 2.37 1 116 ALA 4.36 2.44 1 117 ARG 4.61 3.57 1 118 ILE 6.46 4.62 1 119 LYS 4.80 3.27 1 121 ALA 3.74 2.55 1 122 HIS 2.68 3.02 1 123 GLU 2.15 1.23 1 124 ASN -0.19 0.07 1 125 ASP 3.54 1.18 1 126 ILE 1.84 -0.58 1 127 THR 0.94 0.21 1 128 HIS -4.15 -0.35 1 129 PHE -3.49 -0.24 1 130 TYR -2.23 -1.73 1 131 MET -1.33 -0.38 1 132 LEU -2.99 0.08 1 133 THR 3.08 2.55 1 134 ILE 3.44 2.56 1 135 ASP -1.98 -1.95 1 136 LYS 3.94 1.77 1 138 ARG -1.99 -0.02 1 139 ILE -3.84 -0.63 1 140 ILE 0.35 -0.15 1 141 ASP -2.38 -1.97 1 142 ALA -0.36 -1.81 1 145 LYS -5.30 -2.91 1 147 ASN -1.30 -2.62 1 148 TYR 6.59 3.35 1 150 ARG 3.18 1.07 1 151 PHE 2.58 1.45 1 152 MET 1.74 1.55 1 153 ASN 0.21 -0.04 1 154 HIS 0.00 1.02 1 155 SER -3.36 -2.75 1 157 GLN -0.94 -1.00 1 159 ASN -0.95 -1.33 1 161 GLU -5.30 -3.17 1 162 THR -2.65 -3.13 1 163 LEU -4.50 -1.17 1 164 LYS 1.86 -0.24 1 165 TRP -3.58 -1.61 1 166 THR 2.42 0.34 1 167 VAL -1.86 -1.64 1 168 ASN 2.41 0.83 1 170 ASP -5.82 -2.65 1 171 THR 1.66 0.81 1 172 ARG -6.37 -3.20 1 173 VAL 1.53 -0.12 1 175 LEU -2.52 -3.08 1 176 PHE -5.52 -2.61 1 177 ALA 0.37 -0.08 1 178 VAL 0.89 -1.12 1 180 ASP 1.94 0.40 1 181 ILE -2.18 -0.22 1 183 ALA 2.55 0.70 1 185 THR 1.97 0.68 1 186 GLU 2.42 0.63 1 187 LEU -0.75 -1.36 1 188 THR -6.44 -3.26 1 189 PHE -4.42 -2.42 1 190 ASN -0.55 -1.47 1 191 TYR 2.06 -0.85 1 192 ASN 3.05 2.25 1 193 LEU 3.20 1.16 1 194 ASP -0.90 1.08 1 196 LEU -1.86 -0.75 1 198 ASN -0.02 0.09 1 199 GLU 4.16 2.32 1 200 LYS 2.13 -0.54 1 201 THR 1.71 0.92 1 202 VAL 2.06 0.51 1 204 ARG 0.05 -2.83 1 207 ALA -1.53 -0.36 1 208 SER 4.09 2.23 1 209 ASN 0.54 -1.60 1 211 SER 1.54 1.23 1 213 PHE -4.16 -1.38 1 214 LEU 1.98 -0.54 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26759_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 4.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.26 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 -2.43 _LACS_plot.Y_axis_chem_shift_offset 0.71 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 120 HIS 3.52 0.96 0 54 HIS -5.63 5.39 0 50 MET 6.86 -6.15 0 10 LYS -0.02 1.10 1 12 TYR -3.72 2.80 1 14 LYS 1.51 -1.67 1 15 VAL 2.73 -1.64 1 16 GLN -3.56 1.78 1 17 ILE -1.75 0.45 1 18 TYR -0.79 0.17 1 19 THR -1.92 0.35 1 20 ALA -1.72 0.04 1 21 ASP -2.16 1.59 1 22 ILE 4.67 -2.11 1 23 SER 3.01 -1.22 1 24 GLU -1.50 0.14 1 25 ILE 0.84 -1.20 1 27 LYS -3.68 1.62 1 29 ASN -2.17 0.67 1 31 LYS -2.33 0.48 1 33 THR -0.35 -1.41 1 34 ASP 1.25 -1.10 1 35 GLU 2.88 -0.92 1 36 ASN 0.07 0.18 1 40 PHE 4.29 -1.27 1 41 ASP 0.67 -1.50 1 42 SER -1.78 1.88 1 43 GLU 0.88 -2.37 1 45 LEU 2.35 0.09 1 46 ASN 5.21 -3.16 1 47 ARG 5.40 -1.45 1 48 MET 3.86 -1.03 1 49 LEU -0.26 -1.17 1 51 PHE -2.59 0.05 1 52 GLU -1.54 1.59 1 56 GLN 1.41 -0.83 1 57 VAL -0.65 0.98 1 60 ALA 0.67 -0.97 1 62 GLU 2.48 -1.76 1 63 PHE 0.81 -1.03 1 65 GLN 1.90 -2.49 1 66 ASN -1.70 0.25 1 67 GLN 0.02 -1.09 1 69 PHE 4.82 -2.34 1 70 THR 6.66 -1.70 1 71 LYS 2.69 -1.36 1 72 ARG 5.14 -4.72 1 73 GLN 0.84 -2.37 1 74 TYR -3.23 -1.24 1 76 GLU 1.39 -0.45 1 77 THR -6.19 3.51 1 78 LYS -3.93 2.25 1 79 ILE 0.39 -1.00 1 80 ILE -5.40 2.80 1 81 LYS 1.42 -1.46 1 82 THR -2.94 0.70 1 85 LYS 0.74 -2.55 1 87 TRP -2.42 1.41 1 89 LEU -7.10 5.13 1 95 ILE -3.20 1.71 1 96 ARG -1.75 0.21 1 97 LYS 3.98 -1.40 1 99 GLU 1.08 0.51 1 100 PHE 0.07 -0.60 1 101 VAL 0.69 -0.57 1 102 ASN -4.86 3.38 1 103 GLU -4.99 1.82 1 104 TYR 1.16 -1.40 1 105 VAL -5.73 1.38 1 107 GLU -2.33 1.15 1 108 LEU -2.55 1.09 1 109 ILE -4.75 2.20 1 110 ASP -3.49 -0.16 1 111 GLU 4.31 -0.82 1 112 GLU 3.91 -1.10 1 113 GLU 3.15 -1.85 1 115 MET 4.46 -2.09 1 116 ALA 4.36 -1.92 1 117 ARG 4.61 -1.04 1 118 ILE 6.46 -1.84 1 119 LYS 4.80 -1.53 1 121 ALA 3.74 -1.19 1 122 HIS 2.68 0.34 1 123 GLU 2.15 -0.92 1 124 ASN -0.19 0.26 1 125 ASP 3.54 -2.36 1 126 ILE 1.84 -2.42 1 127 THR 0.94 -0.73 1 128 HIS -4.15 3.80 1 129 PHE -3.49 3.25 1 130 TYR -2.23 0.50 1 131 MET -1.33 0.95 1 132 LEU -2.99 3.07 1 133 THR 3.08 -0.53 1 134 ILE 3.44 -0.88 1 135 ASP -1.98 0.03 1 136 LYS 3.94 -2.17 1 138 ARG -1.99 1.97 1 139 ILE -3.84 3.21 1 140 ILE 0.35 -0.50 1 141 ASP -2.38 0.41 1 142 ALA -0.36 -1.45 1 145 LYS -5.30 2.39 1 147 ASN -1.30 -1.32 1 148 TYR 6.59 -3.24 1 150 ARG 3.18 -2.11 1 151 PHE 2.58 -1.13 1 152 MET 1.74 -0.19 1 153 ASN 0.21 -0.25 1 154 HIS 0.00 1.02 1 155 SER -3.36 0.61 1 157 GLN -0.94 -0.06 1 159 ASN -0.95 -0.38 1 161 GLU -5.30 2.13 1 162 THR -2.65 -0.48 1 163 LEU -4.50 3.33 1 164 LYS 1.86 -2.10 1 165 TRP -3.58 1.97 1 166 THR 2.42 -2.08 1 167 VAL -1.86 0.22 1 168 ASN 2.41 -1.58 1 170 ASP -5.82 3.17 1 171 THR 1.66 -0.85 1 172 ARG -6.37 3.17 1 173 VAL 1.53 -1.65 1 175 LEU -2.52 -0.56 1 176 PHE -5.52 2.91 1 177 ALA 0.37 -0.45 1 178 VAL 0.89 -2.01 1 180 ASP 1.94 -1.54 1 181 ILE -2.18 1.96 1 183 ALA 2.55 -1.85 1 185 THR 1.97 -1.29 1 186 GLU 2.42 -1.79 1 187 LEU -0.75 -0.61 1 188 THR -6.44 3.18 1 189 PHE -4.42 2.00 1 190 ASN -0.55 -0.92 1 191 TYR 2.06 -2.91 1 192 ASN 3.05 -0.80 1 193 LEU 3.20 -2.04 1 194 ASP -0.90 1.98 1 196 LEU -1.86 1.11 1 198 ASN -0.02 0.11 1 199 GLU 4.16 -1.84 1 200 LYS 2.13 -2.67 1 201 THR 1.71 -0.79 1 202 VAL 2.06 -1.55 1 204 ARG 0.05 -2.88 1 207 ALA -1.53 1.17 1 208 SER 4.09 -1.86 1 209 ASN 0.54 -2.14 1 211 SER 1.54 -0.31 1 213 PHE -4.16 2.78 1 214 LEU 1.98 -2.52 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26759_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.44 _LACS_plot.Line_1_terminator_val_y_1 -1.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.92 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 1.32 _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 69 PHE 4.82 6.37 0 154 HIS 0.00 6.22 0 12 TYR -3.72 0.79 1 14 LYS 1.51 0.17 1 15 VAL 2.73 -1.90 1 16 GLN -3.56 -1.27 1 17 ILE -1.75 -0.78 1 18 TYR -0.79 -1.38 1 19 THR -1.92 -1.39 1 20 ALA -1.72 -0.23 1 21 ASP -2.16 1.38 1 22 ILE 4.67 0.82 1 23 SER 3.01 0.77 1 24 GLU -1.50 0.02 1 27 LYS -3.68 -0.14 1 29 ASN -2.17 1.02 1 33 THR -0.35 0.68 1 34 ASP 1.25 -1.07 1 35 GLU 2.88 0.47 1 40 PHE 4.29 0.32 1 41 ASP 0.67 -0.67 1 42 SER -1.78 0.08 1 43 GLU 0.88 -1.69 1 45 LEU 2.35 1.31 1 46 ASN 5.21 2.83 1 47 ARG 5.40 3.79 1 48 MET 3.86 0.99 1 49 LEU -0.26 -2.72 1 50 MET 6.86 -2.23 1 51 PHE -2.59 -0.02 1 52 GLU -1.54 0.19 1 56 GLN 1.41 -0.29 1 57 VAL -0.65 -0.74 1 60 ALA 0.67 -0.20 1 62 GLU 2.48 -0.24 1 63 PHE 0.81 -1.09 1 65 GLN 1.90 -0.85 1 66 ASN -1.70 -0.99 1 67 GLN 0.02 -0.31 1 70 THR 6.66 1.68 1 71 LYS 2.69 -0.94 1 72 ARG 5.14 -1.30 1 73 GLN 0.84 -1.47 1 76 GLU 1.39 0.07 1 77 THR -6.19 -1.06 1 78 LYS -3.93 -2.90 1 79 ILE 0.39 0.40 1 80 ILE -5.40 -1.28 1 81 LYS 1.42 -0.35 1 85 LYS 0.74 -1.23 1 87 TRP -2.42 1.40 1 95 ILE -3.20 -0.92 1 96 ARG -1.75 -0.94 1 97 LYS 3.98 -0.22 1 99 GLU 1.08 -0.64 1 100 PHE 0.07 -1.62 1 101 VAL 0.69 -1.85 1 103 GLU -4.99 -2.36 1 104 TYR 1.16 -2.54 1 105 VAL -5.73 -1.02 1 107 GLU -2.33 -1.34 1 108 LEU -2.55 -3.08 1 109 ILE -4.75 -2.23 1 110 ASP -3.49 0.21 1 111 GLU 4.31 1.85 1 112 GLU 3.91 2.93 1 113 GLU 3.15 1.48 1 115 MET 4.46 3.30 1 116 ALA 4.36 3.35 1 117 ARG 4.61 4.33 1 118 ILE 6.46 0.73 1 119 LYS 4.80 2.49 1 120 HIS 3.52 4.14 1 121 ALA 3.74 2.89 1 122 HIS 2.68 5.51 1 123 GLU 2.15 0.48 1 124 ASN -0.19 -2.26 1 125 ASP 3.54 -1.60 1 126 ILE 1.84 -0.31 1 127 THR 0.94 -0.99 1 128 HIS -4.15 -1.05 1 129 PHE -3.49 -0.37 1 130 TYR -2.23 2.34 1 131 MET -1.33 -0.62 1 132 LEU -2.99 -2.12 1 133 THR 3.08 -0.52 1 134 ILE 3.44 -1.34 1 135 ASP -1.98 -0.96 1 138 ARG -1.99 -3.26 1 139 ILE -3.84 -2.61 1 140 ILE 0.35 -1.37 1 141 ASP -2.38 0.19 1 142 ALA -0.36 -1.31 1 145 LYS -5.30 -3.97 1 147 ASN -1.30 1.17 1 148 TYR 6.59 2.09 1 150 ARG 3.18 -1.50 1 151 PHE 2.58 -1.68 1 152 MET 1.74 1.71 1 153 ASN 0.21 -3.13 1 155 SER -3.36 -3.10 1 159 ASN -0.95 0.62 1 161 GLU -5.30 -1.89 1 162 THR -2.65 0.73 1 163 LEU -4.50 -1.09 1 164 LYS 1.86 -0.96 1 166 THR 2.42 0.03 1 167 VAL -1.86 -1.09 1 168 ASN 2.41 1.03 1 170 ASP -5.82 -1.39 1 171 THR 1.66 -1.21 1 172 ARG -6.37 -1.46 1 173 VAL 1.53 -0.61 1 175 LEU -2.52 -2.32 1 176 PHE -5.52 -0.15 1 177 ALA 0.37 3.49 1 178 VAL 0.89 -1.88 1 180 ASP 1.94 0.83 1 185 THR 1.97 -0.64 1 186 GLU 2.42 -0.46 1 187 LEU -0.75 -1.63 1 188 THR -6.44 -1.68 1 189 PHE -4.42 -3.34 1 190 ASN -0.55 1.93 1 191 TYR 2.06 1.99 1 192 ASN 3.05 0.82 1 193 LEU 3.20 0.59 1 194 ASP -0.90 0.04 1 196 LEU -1.86 -1.08 1 198 ASN -0.02 0.52 1 199 GLU 4.16 0.23 1 200 LYS 2.13 -0.19 1 201 THR 1.71 -1.18 1 202 VAL 2.06 -1.13 1 204 ARG 0.05 1.44 1 208 SER 4.09 0.10 1 209 ASN 0.54 -0.89 1 211 SER 1.54 1.15 1 213 PHE -4.16 -2.07 1 214 LEU 1.98 -2.17 1 stop_ save_