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 bmr26949_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -1.04 _LACS_plot.Line_1_terminator_val_y_1 -0.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.18 _LACS_plot.Line_2_terminator_val_x_2 2.55 _LACS_plot.Line_2_terminator_val_y_2 1.71 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 41 GLU 0.75 1.96 0 13 GLU 0.87 2.08 0 158 GLU 0.61 1.95 0 74 GLU 1.20 2.38 0 11 GLU 0.06 0.23 1 12 GLN -0.31 -0.05 1 16 LYS -0.07 -0.16 1 17 VAL -0.28 -0.27 1 18 ALA -0.19 -0.06 1 19 THR -0.11 -0.07 1 20 GLU -0.39 -0.06 1 21 GLU -0.26 0.07 1 22 SER 0.12 0.10 1 23 SER 1.07 1.68 1 26 GLU 0.08 0.19 1 27 ILE 0.91 0.24 1 28 LYS 0.44 0.31 1 29 GLU 0.14 0.18 1 30 ARG 0.89 0.64 1 32 MET 0.97 0.56 1 33 PHE 0.52 0.17 1 34 ASP 0.88 0.53 1 35 PHE 1.32 0.79 1 36 LEU 0.64 0.25 1 37 LYS 0.59 0.25 1 38 LYS 0.27 0.12 1 39 LYS 0.49 0.31 1 40 GLU -0.72 -0.31 1 45 GLN 0.12 0.17 1 46 GLU -0.57 -0.11 1 47 THR 0.04 0.07 1 48 THR 0.08 0.08 1 49 THR 0.10 0.14 1 50 LEU 0.06 0.04 1 51 ALA 0.45 0.33 1 52 SER 0.59 0.41 1 53 GLU 0.56 0.50 1 54 PHE 0.35 0.16 1 55 GLU -0.26 0.11 1 56 HIS 0.41 0.41 1 57 LYS 0.09 0.11 1 58 THR 0.36 0.32 1 59 GLN -0.16 -0.05 1 60 ILE -0.01 -0.04 1 61 SER 1.12 1.69 1 64 GLU 0.11 0.28 1 65 SER -0.05 -0.08 1 66 PHE 0.34 0.29 1 67 VAL -0.14 -0.14 1 68 ALA -0.13 -0.14 1 69 LYS -0.13 -0.10 1 70 HIS 0.33 0.52 1 71 GLU -0.32 0.03 1 72 GLU -0.22 0.02 1 73 GLU -0.59 -0.11 1 78 THR -0.51 -0.14 1 79 LEU 1.63 1.15 1 80 LEU 1.47 1.11 1 81 GLU 0.77 0.91 1 82 GLN 1.17 0.99 1 83 LEU 1.03 0.77 1 84 HIS 0.80 0.87 1 85 GLN 0.56 0.40 1 86 LYS 0.73 0.48 1 87 HIS 0.80 0.88 1 88 GLU 0.33 0.46 1 89 GLU 0.21 0.36 1 90 GLU -0.02 0.23 1 91 GLU -0.13 0.26 1 92 GLU 0.19 0.42 1 93 ASN 1.77 1.77 1 96 SER -0.04 -0.06 1 97 LEU 1.19 0.77 1 98 LEU 0.93 0.55 1 99 ASP 0.58 0.50 1 100 LYS 1.69 1.13 1 101 LEU 0.95 0.52 1 102 HIS 0.88 0.89 1 103 ARG 0.28 0.18 1 104 SER 0.18 0.16 1 105 ASN 0.26 0.16 1 106 SER 0.21 0.23 1 107 SER 0.21 0.21 1 108 SER 0.14 0.14 1 109 SER 0.04 0.08 1 110 SER -0.02 0.06 1 111 SER 0.16 0.18 1 112 SER 0.26 0.23 1 113 ASP 0.53 0.44 1 114 GLU -0.23 0.17 1 115 GLU -0.33 0.14 1 117 GLU 0.14 0.45 1 118 ASP 0.61 0.53 1 120 GLU 0.69 0.49 1 121 LYS 2.56 1.81 1 122 LYS 1.55 1.04 1 123 LYS 1.66 1.31 1 124 LYS 1.17 0.87 1 126 LYS 0.74 0.42 1 127 LYS 0.31 0.20 1 128 LYS 0.17 0.26 1 129 LYS 0.16 0.11 1 130 ILE 0.08 -0.03 1 131 VAL -0.02 -0.12 1 132 GLU -0.27 0.19 1 134 ASP 0.12 0.07 1 135 HIS 0.18 0.50 1 136 VAL 0.71 0.29 1 137 LYS 0.01 0.21 1 138 THR -0.83 -0.33 1 139 VAL 1.86 1.36 1 140 GLU 1.37 1.16 1 141 GLU 0.29 0.70 1 142 GLU 0.72 0.76 1 143 ASN 0.86 0.65 1 144 GLN 1.45 1.00 1 146 VAL 1.80 1.20 1 148 ASP 1.01 0.76 1 149 ARG 0.98 0.67 1 150 ILE 1.48 0.80 1 151 LYS 0.83 0.53 1 152 GLU -0.14 0.08 1 153 LYS 1.61 2.17 1 156 LEU 0.38 0.19 1 163 ASP -0.04 0.06 1 164 ASP 2.00 2.06 1 167 VAL 0.32 0.16 1 168 VAL 0.04 -0.08 1 169 THR -0.13 -0.17 1 170 THR 1.86 1.85 1 175 HIS 0.01 0.51 1 176 SER -0.20 -0.14 1 177 VAL 0.52 0.24 1 178 GLU -0.58 -0.25 1 179 ASP -0.08 -0.02 1 180 HIS 1.59 1.85 1 183 GLU 0.64 0.57 1 184 GLU -0.01 0.28 1 185 GLU 0.22 0.50 1 186 GLU 0.43 0.53 1 187 LYS 0.89 0.32 1 188 LYS 0.93 0.69 1 201 HIS -0.30 0.76 1 202 SER -0.05 -0.02 1 203 LYS 1.35 1.89 1 206 GLU 0.59 0.37 1 207 ASP 0.34 0.35 1 208 SER 0.47 0.30 1 209 GLN 0.11 0.06 1 210 VAL 0.61 0.32 1 211 VAL 0.01 -0.08 1 212 ASN -0.19 -0.08 1 213 THR 1.95 1.83 1 216 LEU 0.30 0.10 1 217 VAL -0.11 -0.15 1 218 GLU -0.76 -0.19 1 219 THR -0.11 -0.07 1 220 ALA 0.60 1.77 1 223 ILE 0.22 0.06 1 224 ALA -0.63 -0.26 1 225 ASP 1.76 1.95 1 228 GLU 0.43 0.71 1 229 GLU 0.40 0.36 1 230 LYS 0.33 -0.11 1 231 LYS 0.88 0.75 1 244 TYR 0.54 0.55 1 245 HIS -1.04 -0.15 1 246 ALA -0.25 -0.14 1 247 LYS 0.12 0.17 1 248 THR -0.41 -0.29 1 249 THR 0.28 0.33 1 251 GLU -0.35 0.04 1 252 GLU 0.21 0.33 1 253 GLU -0.13 0.10 1 254 LYS 0.37 0.00 1 255 LYS -0.18 -0.17 1 256 GLU -0.56 -0.22 1 257 LYS -0.09 -0.10 1 258 VAL 0.12 0.01 1 259 SER -0.55 -0.19 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26949_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -1.04 _LACS_plot.Line_1_terminator_val_y_1 0.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.82 _LACS_plot.Line_2_terminator_val_x_2 2.55 _LACS_plot.Line_2_terminator_val_y_2 -0.84 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 41 GLU 0.75 1.21 0 13 GLU 0.87 1.21 0 158 GLU 0.61 1.34 0 74 GLU 1.20 1.18 0 11 GLU 0.06 0.17 1 12 GLN -0.31 0.26 1 16 LYS -0.07 -0.09 1 17 VAL -0.28 0.01 1 18 ALA -0.19 0.13 1 19 THR -0.11 0.04 1 20 GLU -0.39 0.33 1 21 GLU -0.26 0.33 1 22 SER 0.12 -0.02 1 23 SER 1.07 0.61 1 26 GLU 0.08 0.11 1 27 ILE 0.91 -0.67 1 28 LYS 0.44 -0.13 1 29 GLU 0.14 0.04 1 30 ARG 0.89 -0.25 1 32 MET 0.97 -0.41 1 33 PHE 0.52 -0.35 1 34 ASP 0.88 -0.35 1 35 PHE 1.32 -0.53 1 36 LEU 0.64 -0.39 1 37 LYS 0.59 -0.34 1 38 LYS 0.27 -0.15 1 39 LYS 0.49 -0.18 1 40 GLU -0.72 0.41 1 45 GLN 0.12 0.05 1 46 GLU -0.57 0.46 1 47 THR 0.04 0.03 1 48 THR 0.08 0.00 1 49 THR 0.10 0.04 1 50 LEU 0.06 -0.02 1 51 ALA 0.45 -0.12 1 52 SER 0.59 -0.18 1 53 GLU 0.56 -0.06 1 54 PHE 0.35 -0.19 1 55 GLU -0.26 0.37 1 56 HIS 0.41 0.00 1 57 LYS 0.09 0.02 1 58 THR 0.36 -0.04 1 59 GLN -0.16 0.11 1 60 ILE -0.01 -0.03 1 61 SER 1.12 0.57 1 64 GLU 0.11 0.17 1 65 SER -0.05 -0.03 1 66 PHE 0.34 -0.05 1 67 VAL -0.14 0.00 1 68 ALA -0.13 -0.01 1 69 LYS -0.13 0.03 1 70 HIS 0.33 0.19 1 71 GLU -0.32 0.35 1 72 GLU -0.22 0.24 1 73 GLU -0.59 0.48 1 78 THR -0.51 0.37 1 79 LEU 1.63 -0.48 1 80 LEU 1.47 -0.36 1 81 GLU 0.77 0.14 1 82 GLN 1.17 -0.18 1 83 LEU 1.03 -0.26 1 84 HIS 0.80 0.07 1 85 GLN 0.56 -0.16 1 86 LYS 0.73 -0.25 1 87 HIS 0.80 0.08 1 88 GLU 0.33 0.13 1 89 GLU 0.21 0.15 1 90 GLU -0.02 0.25 1 91 GLU -0.13 0.39 1 92 GLU 0.19 0.23 1 93 ASN 1.77 0.00 1 96 SER -0.04 -0.02 1 97 LEU 1.19 -0.42 1 98 LEU 0.93 -0.38 1 99 ASP 0.58 -0.08 1 100 LYS 1.69 -0.56 1 101 LEU 0.95 -0.43 1 102 HIS 0.88 0.01 1 103 ARG 0.28 -0.10 1 104 SER 0.18 -0.02 1 105 ASN 0.26 -0.10 1 106 SER 0.21 0.02 1 107 SER 0.21 0.00 1 108 SER 0.14 0.00 1 109 SER 0.04 0.04 1 110 SER -0.02 0.08 1 111 SER 0.16 0.02 1 112 SER 0.26 -0.03 1 113 ASP 0.53 -0.09 1 114 GLU -0.23 0.40 1 115 GLU -0.33 0.47 1 117 GLU 0.14 0.31 1 118 ASP 0.61 -0.08 1 120 GLU 0.69 -0.20 1 121 LYS 2.56 -0.75 1 122 LYS 1.55 -0.51 1 123 LYS 1.66 -0.35 1 124 LYS 1.17 -0.30 1 126 LYS 0.74 -0.32 1 127 LYS 0.31 -0.11 1 128 LYS 0.17 0.09 1 129 LYS 0.16 -0.05 1 130 ILE 0.08 -0.11 1 131 VAL -0.02 -0.10 1 132 GLU -0.27 0.46 1 134 ASP 0.12 -0.05 1 135 HIS 0.18 0.32 1 136 VAL 0.71 -0.42 1 137 LYS 0.01 0.20 1 138 THR -0.83 0.50 1 139 VAL 1.86 -0.50 1 140 GLU 1.37 -0.21 1 141 GLU 0.29 0.41 1 142 GLU 0.72 0.04 1 143 ASN 0.86 -0.21 1 144 GLN 1.45 -0.45 1 146 VAL 1.80 -0.60 1 148 ASP 1.01 -0.25 1 149 ARG 0.98 -0.31 1 150 ILE 1.48 -0.68 1 151 LYS 0.83 -0.30 1 152 GLU -0.14 0.22 1 153 LYS 1.61 0.56 1 156 LEU 0.38 -0.19 1 163 ASP -0.04 0.10 1 164 ASP 2.00 0.06 1 167 VAL 0.32 -0.16 1 168 VAL 0.04 -0.12 1 169 THR -0.13 -0.04 1 170 THR 1.86 -0.01 1 175 HIS 0.01 0.50 1 176 SER -0.20 0.06 1 177 VAL 0.52 -0.28 1 178 GLU -0.58 0.33 1 179 ASP -0.08 0.06 1 180 HIS 1.59 0.26 1 183 GLU 0.64 -0.07 1 184 GLU -0.01 0.29 1 185 GLU 0.22 0.28 1 186 GLU 0.43 0.10 1 187 LYS 0.89 -0.57 1 188 LYS 0.93 -0.24 1 201 HIS -0.30 1.06 1 202 SER -0.05 0.03 1 203 LYS 1.35 0.54 1 206 GLU 0.59 -0.22 1 207 ASP 0.34 0.01 1 208 SER 0.47 -0.17 1 209 GLN 0.11 -0.05 1 210 VAL 0.61 -0.29 1 211 VAL 0.01 -0.09 1 212 ASN -0.19 0.11 1 213 THR 1.95 -0.12 1 216 LEU 0.30 -0.20 1 217 VAL -0.11 -0.04 1 218 GLU -0.76 0.57 1 219 THR -0.11 0.04 1 220 ALA 0.60 1.17 1 223 ILE 0.22 -0.16 1 224 ALA -0.63 0.37 1 225 ASP 1.76 0.19 1 228 GLU 0.43 0.28 1 229 GLU 0.40 -0.04 1 230 LYS 0.33 -0.44 1 231 LYS 0.88 -0.13 1 244 TYR 0.54 0.01 1 245 HIS -1.04 0.89 1 246 ALA -0.25 0.11 1 247 LYS 0.12 0.05 1 248 THR -0.41 0.12 1 249 THR 0.28 0.05 1 251 GLU -0.35 0.39 1 252 GLU 0.21 0.12 1 253 GLU -0.13 0.23 1 254 LYS 0.37 -0.37 1 255 LYS -0.18 0.01 1 256 GLU -0.56 0.34 1 257 LYS -0.09 -0.01 1 258 VAL 0.12 -0.11 1 259 SER -0.55 0.36 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26949_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -1.04 _LACS_plot.Line_1_terminator_val_y_1 -0.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.04 _LACS_plot.Line_2_terminator_val_x_2 2.55 _LACS_plot.Line_2_terminator_val_y_2 -0.28 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 153 LYS 1.61 -0.51 0 74 GLU 1.20 -0.51 0 245 HIS -1.04 -0.30 0 11 GLU 0.06 -0.20 1 12 GLN -0.31 -0.07 1 13 GLU 0.87 -0.35 1 16 LYS -0.07 -0.06 1 17 VAL -0.28 -0.07 1 18 ALA -0.19 0.01 1 19 THR -0.11 -0.09 1 20 GLU -0.39 -0.09 1 21 GLU -0.26 -0.11 1 22 SER 0.12 -0.06 1 23 SER 1.07 -0.36 1 26 GLU 0.08 -0.18 1 27 ILE 0.91 -0.14 1 28 LYS 0.44 -0.08 1 29 GLU 0.14 -0.16 1 30 ARG 0.89 -0.13 1 32 MET 0.97 -0.18 1 33 PHE 0.52 -0.12 1 34 ASP 0.88 -0.21 1 35 PHE 1.32 -0.19 1 36 LEU 0.64 -0.18 1 37 LYS 0.59 -0.17 1 38 LYS 0.27 -0.14 1 39 LYS 0.49 -0.14 1 40 GLU -0.72 -0.13 1 41 GLU 0.75 -0.39 1 45 GLN 0.12 -0.12 1 46 GLU -0.57 -0.03 1 47 THR 0.04 0.01 1 48 THR 0.08 0.02 1 49 THR 0.10 -0.07 1 50 LEU 0.06 -0.05 1 51 ALA 0.45 -0.10 1 52 SER 0.59 -0.16 1 53 GLU 0.56 -0.22 1 54 PHE 0.35 -0.11 1 55 GLU -0.26 -0.24 1 56 HIS 0.41 -0.13 1 57 LYS 0.09 0.01 1 58 THR 0.36 -0.13 1 59 GLN -0.16 -0.02 1 60 ILE -0.01 -0.02 1 61 SER 1.12 -0.36 1 64 GLU 0.11 -0.20 1 65 SER -0.05 -0.14 1 66 PHE 0.34 -0.08 1 67 VAL -0.14 -0.21 1 68 ALA -0.13 -0.18 1 69 LYS -0.13 -0.14 1 70 HIS 0.33 -0.11 1 71 GLU -0.32 -0.13 1 72 GLU -0.22 -0.15 1 73 GLU -0.59 -0.18 1 78 THR -0.51 -0.10 1 79 LEU 1.63 -0.12 1 80 LEU 1.47 -0.18 1 81 GLU 0.77 -0.25 1 82 GLN 1.17 -0.18 1 83 LEU 1.03 -0.18 1 84 HIS 0.80 -0.15 1 85 GLN 0.56 -0.15 1 86 LYS 0.73 -0.13 1 87 HIS 0.80 -0.12 1 88 GLU 0.33 -0.17 1 89 GLU 0.21 -0.16 1 90 GLU -0.02 -0.16 1 91 GLU -0.13 -0.19 1 92 GLU 0.19 -0.21 1 93 ASN 1.77 -0.42 1 96 SER -0.04 -0.10 1 97 LEU 1.19 -0.10 1 98 LEU 0.93 -0.15 1 99 ASP 0.58 -0.17 1 100 LYS 1.69 -0.22 1 101 LEU 0.95 -0.16 1 102 HIS 0.88 -0.16 1 103 ARG 0.28 -0.03 1 104 SER 0.18 -0.08 1 105 ASN 0.26 -0.02 1 106 SER 0.21 -0.01 1 107 SER 0.21 0.00 1 108 SER 0.14 0.01 1 109 SER 0.04 0.01 1 110 SER -0.02 0.02 1 111 SER 0.16 0.00 1 112 SER 0.26 -0.04 1 113 ASP 0.53 -0.07 1 114 GLU -0.23 -0.13 1 115 GLU -0.33 -0.10 1 117 GLU 0.14 -0.14 1 118 ASP 0.61 -0.11 1 120 GLU 0.69 -0.05 1 121 LYS 2.56 -0.24 1 122 LYS 1.55 -0.18 1 123 LYS 1.66 -0.20 1 124 LYS 1.17 -0.16 1 126 LYS 0.74 -0.13 1 127 LYS 0.31 -0.12 1 128 LYS 0.17 -0.13 1 129 LYS 0.16 -0.09 1 130 ILE 0.08 -0.07 1 131 VAL -0.02 -0.06 1 132 GLU -0.27 -0.13 1 134 ASP 0.12 -0.13 1 135 HIS 0.18 -0.11 1 136 VAL 0.71 -0.15 1 137 LYS 0.01 0.04 1 138 THR -0.83 -0.01 1 139 VAL 1.86 -0.16 1 140 GLU 1.37 -0.19 1 141 GLU 0.29 -0.22 1 142 GLU 0.72 -0.19 1 143 ASN 0.86 -0.13 1 144 GLN 1.45 -0.16 1 146 VAL 1.80 -0.18 1 148 ASP 1.01 -0.16 1 149 ARG 0.98 -0.12 1 150 ILE 1.48 -0.17 1 151 LYS 0.83 -0.16 1 152 GLU -0.14 -0.26 1 156 LEU 0.38 -0.04 1 158 GLU 0.61 -0.41 1 163 ASP -0.04 -0.07 1 164 ASP 2.00 -0.41 1 167 VAL 0.32 -0.11 1 168 VAL 0.04 0.03 1 169 THR -0.13 0.02 1 170 THR 1.86 -0.34 1 175 HIS 0.01 -0.11 1 176 SER -0.20 -0.05 1 177 VAL 0.52 -0.04 1 178 GLU -0.58 -0.14 1 179 ASP -0.08 -0.15 1 180 HIS 1.59 -0.42 1 183 GLU 0.64 -0.19 1 184 GLU -0.01 -0.17 1 185 GLU 0.22 -0.24 1 186 GLU 0.43 -0.23 1 187 LYS 0.89 -0.11 1 188 LYS 0.93 -0.12 1 201 HIS -0.30 -0.10 1 202 SER -0.05 -0.09 1 203 LYS 1.35 -0.32 1 206 GLU 0.59 -0.18 1 207 ASP 0.34 -0.07 1 208 SER 0.47 -0.11 1 209 GLN 0.11 -0.05 1 210 VAL 0.61 -0.10 1 211 VAL 0.01 -0.06 1 212 ASN -0.19 0.01 1 213 THR 1.95 -0.30 1 216 LEU 0.30 -0.08 1 217 VAL -0.11 -0.06 1 218 GLU -0.76 -0.05 1 219 THR -0.11 -0.11 1 220 ALA 0.60 -0.29 1 223 ILE 0.22 -0.14 1 224 ALA -0.63 -0.06 1 225 ASP 1.76 -0.43 1 228 GLU 0.43 -0.30 1 229 GLU 0.40 -0.18 1 230 LYS 0.33 -0.06 1 231 LYS 0.88 -0.13 1 244 TYR 0.54 -0.19 1 246 ALA -0.25 -0.19 1 247 LYS 0.12 -0.01 1 248 THR -0.41 0.06 1 249 THR 0.28 -0.04 1 251 GLU -0.35 -0.13 1 252 GLU 0.21 -0.19 1 253 GLU -0.13 -0.19 1 254 LYS 0.37 -0.08 1 255 LYS -0.18 -0.05 1 256 GLU -0.56 -0.16 1 257 LYS -0.09 -0.03 1 258 VAL 0.12 0.00 1 259 SER -0.55 -0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26949_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -1.04 _LACS_plot.Line_1_terminator_val_y_1 -0.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.08 _LACS_plot.Line_2_terminator_val_x_2 2.55 _LACS_plot.Line_2_terminator_val_y_2 1.26 _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 121 LYS 2.56 1.25 0 220 ALA 0.60 1.61 0 11 GLU 0.06 0.02 1 12 GLN -0.31 -0.22 1 13 GLU 0.87 1.47 1 16 LYS -0.07 0.04 1 17 VAL -0.28 -0.52 1 18 ALA -0.19 -0.01 1 19 THR -0.11 -0.08 1 20 GLU -0.39 -0.07 1 21 GLU -0.26 0.05 1 22 SER 0.12 -0.09 1 23 SER 1.07 0.62 1 26 GLU 0.08 0.06 1 27 ILE 0.91 0.13 1 28 LYS 0.44 0.15 1 29 GLU 0.14 0.02 1 30 ARG 0.89 0.73 1 32 MET 0.97 0.00 1 33 PHE 0.52 -0.04 1 34 ASP 0.88 0.07 1 35 PHE 1.32 0.27 1 36 LEU 0.64 -0.25 1 37 LYS 0.59 0.00 1 38 LYS 0.27 0.03 1 39 LYS 0.49 -0.08 1 40 GLU -0.72 -0.35 1 41 GLU 0.75 1.30 1 45 GLN 0.12 0.12 1 46 GLU -0.57 0.03 1 47 THR 0.04 0.00 1 48 THR 0.08 -0.11 1 49 THR 0.10 -0.29 1 50 LEU 0.06 -0.34 1 51 ALA 0.45 0.31 1 52 SER 0.59 0.46 1 53 GLU 0.56 -0.15 1 54 PHE 0.35 0.04 1 55 GLU -0.26 -0.53 1 56 HIS 0.41 0.44 1 57 LYS 0.09 0.06 1 58 THR 0.36 -0.40 1 59 GLN -0.16 -0.36 1 60 ILE -0.01 -0.25 1 61 SER 1.12 0.79 1 64 GLU 0.11 -0.02 1 65 SER -0.05 -0.50 1 66 PHE 0.34 -0.39 1 67 VAL -0.14 -1.01 1 68 ALA -0.13 -0.30 1 69 LYS -0.13 -0.21 1 70 HIS 0.33 0.47 1 71 GLU -0.32 -0.21 1 72 GLU -0.22 -0.03 1 73 GLU -0.59 -0.24 1 74 GLU 1.20 1.27 1 78 THR -0.51 0.09 1 79 LEU 1.63 0.38 1 80 LEU 1.47 0.67 1 81 GLU 0.77 0.90 1 82 GLN 1.17 0.79 1 83 LEU 1.03 0.12 1 84 HIS 0.80 0.84 1 85 GLN 0.56 0.01 1 86 LYS 0.73 0.00 1 87 HIS 0.80 0.82 1 88 GLU 0.33 0.13 1 89 GLU 0.21 0.27 1 90 GLU -0.02 0.32 1 91 GLU -0.13 0.21 1 92 GLU 0.19 -0.30 1 93 ASN 1.77 1.12 1 96 SER -0.04 0.54 1 97 LEU 1.19 0.21 1 98 LEU 0.93 -0.10 1 99 ASP 0.58 0.60 1 100 LYS 1.69 0.66 1 101 LEU 0.95 -0.10 1 102 HIS 0.88 0.69 1 103 ARG 0.28 0.10 1 104 SER 0.18 -0.17 1 105 ASN 0.26 0.21 1 106 SER 0.21 0.11 1 107 SER 0.21 0.07 1 108 SER 0.14 0.02 1 109 SER 0.04 -0.04 1 110 SER -0.02 0.01 1 111 SER 0.16 0.10 1 112 SER 0.26 -0.13 1 113 ASP 0.53 0.11 1 114 GLU -0.23 0.09 1 115 GLU -0.33 0.53 1 117 GLU 0.14 0.21 1 118 ASP 0.61 0.91 1 120 GLU 0.69 1.19 1 122 LYS 1.55 1.01 1 123 LYS 1.66 0.90 1 124 LYS 1.17 0.59 1 126 LYS 0.74 0.20 1 127 LYS 0.31 0.02 1 128 LYS 0.17 -0.21 1 129 LYS 0.16 -0.24 1 130 ILE 0.08 -0.25 1 131 VAL -0.02 -0.30 1 132 GLU -0.27 0.26 1 134 ASP 0.12 -0.22 1 135 HIS 0.18 0.23 1 136 VAL 0.71 -0.31 1 137 LYS 0.01 0.34 1 138 THR -0.83 0.18 1 139 VAL 1.86 0.56 1 140 GLU 1.37 0.89 1 141 GLU 0.29 1.05 1 142 GLU 0.72 0.44 1 143 ASN 0.86 0.55 1 144 GLN 1.45 0.79 1 146 VAL 1.80 0.70 1 148 ASP 1.01 0.25 1 149 ARG 0.98 0.58 1 150 ILE 1.48 0.24 1 151 LYS 0.83 0.11 1 152 GLU -0.14 -0.45 1 153 LYS 1.61 1.09 1 156 LEU 0.38 0.46 1 158 GLU 0.61 1.25 1 163 ASP -0.04 -0.35 1 164 ASP 2.00 0.83 1 167 VAL 0.32 0.06 1 168 VAL 0.04 -0.02 1 169 THR -0.13 -0.29 1 170 THR 1.86 0.91 1 175 HIS 0.01 0.51 1 176 SER -0.20 -0.04 1 177 VAL 0.52 -0.10 1 178 GLU -0.58 -0.66 1 179 ASP -0.08 -0.55 1 180 HIS 1.59 1.58 1 183 GLU 0.64 0.42 1 184 GLU -0.01 0.36 1 185 GLU 0.22 0.44 1 186 GLU 0.43 0.32 1 187 LYS 0.89 0.32 1 188 LYS 0.93 0.73 1 201 HIS -0.30 0.91 1 202 SER -0.05 -0.44 1 203 LYS 1.35 1.48 1 206 GLU 0.59 -0.06 1 207 ASP 0.34 0.18 1 208 SER 0.47 -0.09 1 209 GLN 0.11 -0.14 1 210 VAL 0.61 -0.21 1 211 VAL 0.01 -0.64 1 212 ASN -0.19 0.13 1 213 THR 1.95 1.26 1 216 LEU 0.30 -0.30 1 217 VAL -0.11 -0.33 1 218 GLU -0.76 -0.18 1 219 THR -0.11 -0.66 1 223 ILE 0.22 -0.35 1 224 ALA -0.63 -0.70 1 225 ASP 1.76 0.74 1 228 GLU 0.43 0.46 1 229 GLU 0.40 0.08 1 230 LYS 0.33 0.10 1 231 LYS 0.88 0.64 1 244 TYR 0.54 -0.39 1 245 HIS -1.04 -0.67 1 246 ALA -0.25 -0.26 1 247 LYS 0.12 0.37 1 248 THR -0.41 0.13 1 249 THR 0.28 0.58 1 251 GLU -0.35 0.23 1 252 GLU 0.21 0.11 1 253 GLU -0.13 -0.15 1 254 LYS 0.37 -0.18 1 255 LYS -0.18 -0.10 1 256 GLU -0.56 -0.44 1 257 LYS -0.09 -0.21 1 258 VAL 0.12 -0.25 1 259 SER -0.55 -1.23 1 stop_ save_