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 bmr25040_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.21 _LACS_plot.Line_1_terminator_val_y_1 -5.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.97 _LACS_plot.Line_2_terminator_val_x_2 8.44 _LACS_plot.Line_2_terminator_val_y_2 4.15 _LACS_plot.Y_axis_chem_shift_offset 2.57 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 38 LYS -8.21 -3.34 0 10 VAL -0.11 -3.69 1 11 LEU -5.63 -5.15 1 12 MET -4.04 -4.61 1 13 VAL -4.51 -5.96 1 14 TYR -3.89 -4.46 1 16 LEU -1.98 -4.32 1 17 ASP -0.45 -2.07 1 18 GLN 2.26 -0.43 1 19 SER 1.66 -1.07 1 20 LYS -2.90 -2.57 1 21 MET -1.34 -4.60 1 22 ASN -1.86 -4.52 1 24 ASP 4.70 1.23 1 26 VAL 6.65 2.70 1 27 PHE 6.58 3.09 1 28 ASN 1.45 -0.57 1 29 VAL 2.00 -0.19 1 30 PHE 5.66 2.57 1 32 LEU 1.83 -0.79 1 33 TYR 1.12 -1.22 1 35 ASN 1.77 -2.07 1 37 GLU -0.27 -2.53 1 39 VAL -3.96 -3.24 1 40 LYS -6.59 -3.42 1 41 PHE 1.80 -0.78 1 43 LYS 3.36 0.18 1 44 SER 0.22 -2.36 1 45 LYS -4.06 -5.86 1 48 ALA -7.09 -5.51 1 49 ALA -3.43 -4.47 1 50 MET -4.17 -4.05 1 51 VAL -3.06 -4.22 1 53 MET -2.83 -5.16 1 54 ALA 1.24 0.05 1 55 ASP -3.06 -4.21 1 58 ALA 1.83 -0.59 1 59 VAL 6.13 2.14 1 60 ASP 3.80 0.95 1 61 ARG 3.23 1.73 1 62 ALA 3.93 0.37 1 63 ILE 5.71 2.79 1 64 THR 5.27 1.90 1 65 HIS 2.35 1.53 1 66 LEU -0.97 -2.73 1 68 ASN 4.33 -0.62 1 70 PHE -1.63 -2.48 1 71 MET -2.99 -1.66 1 72 PHE 4.51 -1.38 1 75 LYS 0.16 -3.03 1 77 ASN -4.46 -3.99 1 78 VAL -2.80 -4.25 1 80 VAL 1.78 -1.37 1 81 SER -2.56 -4.08 1 82 LYS 0.66 -3.10 1 83 GLN -0.62 -3.18 1 85 ALA -4.09 -3.94 1 86 ILE 0.52 -1.95 1 87 MET -3.11 -6.32 1 91 SER -0.94 -2.61 1 92 TYR -3.37 -4.79 1 95 GLU 3.96 0.75 1 96 ASP 0.69 -3.67 1 98 SER 0.21 -2.57 1 100 SER 4.05 -0.01 1 101 TYR -6.16 -4.54 1 102 LYS -2.90 -1.75 1 104 PHE -1.26 -1.99 1 105 SER 5.41 2.06 1 106 GLU -0.80 -4.12 1 107 SER -0.54 -2.34 1 108 ARG 1.32 -1.94 1 109 ASN 0.60 -2.29 1 110 ASN 1.38 -1.21 1 112 PHE -0.49 -5.11 1 113 SER 4.73 0.94 1 114 THR -1.94 -4.49 1 116 GLU 3.98 0.31 1 117 GLN 3.01 -0.16 1 118 ALA 2.23 -0.41 1 119 ALA 1.12 -1.67 1 121 ASN -0.72 -2.07 1 123 ILE 1.49 -4.07 1 127 SER -5.46 -5.56 1 129 VAL -1.54 -3.88 1 130 LEU -4.42 -5.26 1 131 HIS -4.39 -3.84 1 132 PHE -6.54 -6.41 1 133 PHE -2.62 -4.85 1 134 ASN 0.70 -1.22 1 135 ALA -1.75 -3.91 1 138 GLU 1.85 -2.99 1 139 VAL -0.06 -3.19 1 140 THR -6.18 -5.51 1 141 GLU 4.29 0.63 1 142 GLU 4.30 0.62 1 143 ASN 3.65 0.78 1 144 PHE 6.04 2.29 1 145 PHE 4.41 -1.97 1 146 GLU 3.33 0.25 1 147 ILE 4.53 1.45 1 150 GLU 2.87 0.07 1 151 LEU -1.49 -2.43 1 153 VAL -3.80 -6.33 1 154 LYS 2.36 0.07 1 157 THR 2.56 -1.09 1 158 SER -1.77 -3.07 1 159 VAL -3.17 -3.85 1 160 LYS -4.40 -4.58 1 161 VAL -0.09 -2.90 1 162 PHE 0.02 -4.58 1 163 SER 0.25 -2.33 1 169 SER -2.83 -3.77 1 170 SER -2.79 -3.05 1 171 SER -5.18 -4.61 1 173 LEU -6.84 -4.61 1 175 GLU -5.21 -4.42 1 176 TRP -3.33 -0.88 1 178 SER -5.19 -4.88 1 183 LEU 3.64 0.65 1 184 GLU 2.82 -0.44 1 185 THR 8.44 3.08 1 186 LEU 4.56 1.27 1 188 PHE 0.15 -0.39 1 189 LEU -2.04 -2.34 1 190 ASN 3.00 -2.36 1 191 HIS 8.10 1.55 1 192 TYR 0.97 -0.38 1 193 GLN -0.15 -3.84 1 195 LYS 1.19 -1.61 1 196 ASN -3.61 -4.94 1 201 TYR -1.46 -4.04 1 203 TYR -0.67 -2.96 1 204 THR 1.36 -2.26 1 205 LEU -0.27 -1.58 1 206 LYS -3.01 -3.86 1 207 LEU -6.58 -5.24 1 209 PHE 1.93 -0.01 1 211 THR -1.08 -3.18 1 212 ALA 0.36 -2.27 1 215 ALA -0.79 -3.42 1 216 SER 0.52 -1.25 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25040_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.21 _LACS_plot.Line_1_terminator_val_y_1 2.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.97 _LACS_plot.Line_2_terminator_val_x_2 8.44 _LACS_plot.Line_2_terminator_val_y_2 -4.29 _LACS_plot.Y_axis_chem_shift_offset 2.57 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 38 LYS -8.21 4.87 0 10 VAL -0.11 -3.58 1 11 LEU -5.63 0.48 1 12 MET -4.04 -0.57 1 13 VAL -4.51 -1.45 1 14 TYR -3.89 -0.57 1 16 LEU -1.98 -2.34 1 17 ASP -0.45 -1.62 1 18 GLN 2.26 -2.69 1 19 SER 1.66 -2.73 1 20 LYS -2.90 0.33 1 21 MET -1.34 -3.26 1 22 ASN -1.86 -2.66 1 24 ASP 4.70 -3.47 1 26 VAL 6.65 -3.95 1 27 PHE 6.58 -3.49 1 28 ASN 1.45 -2.02 1 29 VAL 2.00 -2.19 1 30 PHE 5.66 -3.09 1 32 LEU 1.83 -2.62 1 33 TYR 1.12 -2.34 1 35 ASN 1.77 -3.84 1 37 GLU -0.27 -2.26 1 39 VAL -3.96 0.72 1 40 LYS -6.59 3.17 1 41 PHE 1.80 -2.58 1 43 LYS 3.36 -3.18 1 44 SER 0.22 -2.58 1 45 LYS -4.06 -1.80 1 48 ALA -7.09 1.58 1 49 ALA -3.43 -1.04 1 50 MET -4.17 0.12 1 51 VAL -3.06 -1.16 1 53 MET -2.83 -2.33 1 54 ALA 1.24 -1.19 1 55 ASP -3.06 -1.15 1 58 ALA 1.83 -2.42 1 59 VAL 6.13 -3.99 1 60 ASP 3.80 -2.85 1 61 ARG 3.23 -1.50 1 62 ALA 3.93 -3.56 1 63 ILE 5.71 -2.92 1 64 THR 5.27 -3.37 1 65 HIS 2.35 -0.82 1 66 LEU -0.97 -1.76 1 68 ASN 4.33 -4.95 1 70 PHE -1.63 -0.85 1 71 MET -2.99 1.33 1 72 PHE 4.51 -5.89 1 75 LYS 0.16 -3.19 1 77 ASN -4.46 0.47 1 78 VAL -2.80 -1.45 1 80 VAL 1.78 -3.15 1 81 SER -2.56 -1.52 1 82 LYS 0.66 -3.76 1 83 GLN -0.62 -2.56 1 85 ALA -4.09 0.15 1 86 ILE 0.52 -2.47 1 87 MET -3.11 -3.21 1 91 SER -0.94 -1.67 1 92 TYR -3.37 -1.42 1 95 GLU 3.96 -3.21 1 96 ASP 0.69 -4.36 1 98 SER 0.21 -2.78 1 100 SER 4.05 -4.06 1 101 TYR -6.16 1.62 1 102 LYS -2.90 1.15 1 104 PHE -1.26 -0.73 1 105 SER 5.41 -3.35 1 106 GLU -0.80 -3.32 1 107 SER -0.54 -1.80 1 108 ARG 1.32 -3.26 1 109 ASN 0.60 -2.89 1 110 ASN 1.38 -2.59 1 112 PHE -0.49 -4.62 1 113 SER 4.73 -3.79 1 114 THR -1.94 -2.55 1 116 GLU 3.98 -3.67 1 117 GLN 3.01 -3.17 1 118 ALA 2.23 -2.64 1 119 ALA 1.12 -2.79 1 121 ASN -0.72 -1.35 1 123 ILE 1.49 -5.56 1 127 SER -5.46 -0.10 1 129 VAL -1.54 -2.34 1 130 LEU -4.42 -0.84 1 131 HIS -4.39 0.55 1 132 PHE -6.54 0.13 1 133 PHE -2.62 -2.23 1 134 ASN 0.70 -1.92 1 135 ALA -1.75 -2.16 1 138 GLU 1.85 -4.84 1 139 VAL -0.06 -3.13 1 140 THR -6.18 0.67 1 141 GLU 4.29 -3.66 1 142 GLU 4.30 -3.68 1 143 ASN 3.65 -2.87 1 144 PHE 6.04 -3.75 1 145 PHE 4.41 -6.38 1 146 GLU 3.33 -3.08 1 147 ILE 4.53 -3.08 1 150 GLU 2.87 -2.80 1 151 LEU -1.49 -0.94 1 153 VAL -3.80 -2.53 1 154 LYS 2.36 -2.29 1 157 THR 2.56 -3.65 1 158 SER -1.77 -1.30 1 159 VAL -3.17 -0.68 1 160 LYS -4.40 -0.18 1 161 VAL -0.09 -2.81 1 162 PHE 0.02 -4.60 1 163 SER 0.25 -2.58 1 169 SER -2.83 -0.94 1 170 SER -2.79 -0.26 1 171 SER -5.18 0.57 1 173 LEU -6.84 2.23 1 175 GLU -5.21 0.79 1 176 TRP -3.33 2.45 1 178 SER -5.19 0.31 1 183 LEU 3.64 -2.99 1 184 GLU 2.82 -3.26 1 185 THR 8.44 -5.36 1 186 LEU 4.56 -3.29 1 188 PHE 0.15 -0.54 1 189 LEU -2.04 -0.30 1 190 ASN 3.00 -5.36 1 191 HIS 8.10 -6.55 1 192 TYR 0.97 -1.35 1 193 GLN -0.15 -3.69 1 195 LYS 1.19 -2.80 1 196 ASN -3.61 -1.33 1 201 TYR -1.46 -2.58 1 203 TYR -0.67 -2.29 1 204 THR 1.36 -3.62 1 205 LEU -0.27 -1.31 1 206 LYS -3.01 -0.85 1 207 LEU -6.58 1.34 1 209 PHE 1.93 -1.94 1 211 THR -1.08 -2.10 1 212 ALA 0.36 -2.63 1 215 ALA -0.79 -2.63 1 216 SER 0.52 -1.77 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25040_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.21 _LACS_plot.Line_1_terminator_val_y_1 1.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.18 _LACS_plot.Line_2_terminator_val_x_2 8.44 _LACS_plot.Line_2_terminator_val_y_2 -0.93 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 PHE -6.54 1.44 0 207 LEU -6.58 1.45 0 22 ASN -1.86 -0.67 0 127 SER -5.46 -0.13 0 102 LYS -2.90 -0.55 0 48 ALA -7.09 1.54 0 191 HIS 8.10 -0.35 0 129 VAL -1.54 1.14 0 10 VAL -0.11 0.33 1 11 LEU -5.63 0.64 1 12 MET -4.04 0.56 1 13 VAL -4.51 1.15 1 14 TYR -3.89 0.73 1 16 LEU -1.98 0.08 1 17 ASP -0.45 -0.09 1 18 GLN 2.26 -0.19 1 19 SER 1.66 -0.05 1 20 LYS -2.90 -0.01 1 21 MET -1.34 0.38 1 24 ASP 4.70 -0.09 1 26 VAL 6.65 -0.43 1 27 PHE 6.58 -1.13 1 28 ASN 1.45 -0.29 1 29 VAL 2.00 -0.11 1 30 PHE 5.66 -0.74 1 32 LEU 1.83 -0.43 1 33 TYR 1.12 -0.21 1 35 ASN 1.77 0.03 1 37 GLU -0.27 0.06 1 38 LYS -8.21 1.06 1 39 VAL -3.96 0.58 1 40 LYS -6.59 1.17 1 41 PHE 1.80 -0.03 1 43 LYS 3.36 -0.60 1 45 LYS -4.06 0.48 1 49 ALA -3.43 0.26 1 50 MET -4.17 0.73 1 51 VAL -3.06 0.36 1 53 MET -2.83 0.89 1 54 ALA 1.24 -0.28 1 55 ASP -3.06 -0.02 1 58 ALA 1.83 -0.30 1 59 VAL 6.13 -0.65 1 60 ASP 3.80 -0.32 1 61 ARG 3.23 -0.16 1 62 ALA 3.93 -0.97 1 63 ILE 5.71 -0.89 1 64 THR 5.27 -0.69 1 65 HIS 2.35 -0.27 1 66 LEU -0.97 0.00 1 68 ASN 4.33 -0.62 1 70 PHE -1.63 0.40 1 71 MET -2.99 -0.21 1 72 PHE 4.51 -0.35 1 75 LYS 0.16 -0.86 1 77 ASN -4.46 0.72 1 78 VAL -2.80 0.98 1 80 VAL 1.78 -0.16 1 81 SER -2.56 0.11 1 82 LYS 0.66 -0.04 1 83 GLN -0.62 -0.08 1 85 ALA -4.09 -0.26 1 86 ILE 0.52 -0.09 1 87 MET -3.11 0.50 1 91 SER -0.94 -0.02 1 92 TYR -3.37 0.42 1 95 GLU 3.96 -0.35 1 96 ASP 0.69 -0.13 1 98 SER 0.21 -0.08 1 100 SER 4.05 -0.78 1 101 TYR -6.16 1.04 1 104 PHE -1.26 -0.25 1 105 SER 5.41 -0.37 1 106 GLU -0.80 0.20 1 107 SER -0.54 -0.08 1 108 ARG 1.32 0.06 1 109 ASN 0.60 -0.29 1 110 ASN 1.38 0.47 1 112 PHE -0.49 -0.12 1 113 SER 4.73 -0.24 1 114 THR -1.94 0.28 1 116 GLU 3.98 -0.36 1 117 GLN 3.01 -0.47 1 118 ALA 2.23 -0.80 1 119 ALA 1.12 -0.18 1 121 ASN -0.72 -0.26 1 123 ILE 1.49 -0.10 1 130 LEU -4.42 0.93 1 131 HIS -4.39 0.70 1 133 PHE -2.62 0.39 1 134 ASN 0.70 -0.32 1 135 ALA -1.75 0.06 1 138 GLU 1.85 -0.22 1 139 VAL -0.06 -0.07 1 140 THR -6.18 0.36 1 141 GLU 4.29 -0.69 1 142 GLU 4.30 -0.62 1 143 ASN 3.65 -0.29 1 144 PHE 6.04 -0.58 1 145 PHE 4.41 -0.23 1 146 GLU 3.33 -0.26 1 147 ILE 4.53 -0.45 1 150 GLU 2.87 -0.34 1 151 LEU -1.49 -0.01 1 153 VAL -3.80 0.34 1 154 LYS 2.36 -0.58 1 157 THR 2.56 -0.46 1 158 SER -1.77 0.11 1 159 VAL -3.17 0.34 1 160 LYS -4.40 0.26 1 161 VAL -0.09 0.03 1 162 PHE 0.02 0.37 1 163 SER 0.25 0.11 1 169 SER -2.83 0.35 1 170 SER -2.79 0.62 1 171 SER -5.18 0.11 1 173 LEU -6.84 1.04 1 175 GLU -5.21 0.87 1 176 TRP -3.33 0.20 1 178 SER -5.19 0.52 1 183 LEU 3.64 -0.25 1 184 GLU 2.82 -0.94 1 185 THR 8.44 -0.70 1 186 LEU 4.56 -0.78 1 188 PHE 0.15 -0.09 1 189 LEU -2.04 -0.05 1 190 ASN 3.00 -0.73 1 192 TYR 0.97 -0.51 1 193 GLN -0.15 0.35 1 195 LYS 1.19 -0.40 1 196 ASN -3.61 0.04 1 201 TYR -1.46 0.24 1 203 TYR -0.67 -0.06 1 204 THR 1.36 -0.06 1 205 LEU -0.27 -0.25 1 206 LYS -3.01 0.12 1 209 PHE 1.93 0.43 1 211 THR -1.08 0.19 1 212 ALA 0.36 -0.09 1 215 ALA -0.79 0.01 1 216 SER 0.52 -0.33 1 stop_ save_