data_nef_c25554_2n1b save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N1B stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -40 MET start . . 2 A -39 ARG middle . . 3 A -38 GLY middle . false 4 A -37 SER middle . . 5 A -36 HIS middle . . 6 A -35 HIS middle . . 7 A -34 HIS middle . . 8 A -33 HIS middle . . 9 A -32 HIS middle . . 10 A -31 HIS middle . . 11 A -30 GLY middle . false 12 A -29 MET middle . . 13 A -28 ALA middle . . 14 A -27 SER middle . . 15 A -26 MET middle . . 16 A -25 THR middle . . 17 A -24 GLY middle . false 18 A -23 GLY middle . false 19 A -22 GLN middle . . 20 A -21 GLN middle . . 21 A -20 MET middle . . 22 A -19 GLY middle . false 23 A -18 ARG middle . . 24 A -17 ASP middle . . 25 A -16 LEU middle . . 26 A -15 TYR middle . . 27 A -14 ASP middle . . 28 A -13 ASP middle . . 29 A -12 ASP middle . . 30 A -11 ASP middle . . 31 A -10 LYS middle . . 32 A -9 ASP middle . . 33 A -8 PRO middle . false 34 A -7 SER middle . . 35 A -6 SER middle . . 36 A -5 ARG middle . . 37 A -4 SER middle . . 38 A -3 ALA middle . . 39 A -2 ALA middle . . 40 A -1 GLY middle . false 41 A 0 THR middle . . 42 A 1 MET middle . . 43 A 2 ALA middle . . 44 A 3 ALA middle . . 45 A 4 GLN middle . . 46 A 5 GLY middle . false 47 A 6 GLU middle . . 48 A 7 PRO middle . false 49 A 8 GLN middle . . 50 A 9 VAL middle . . 51 A 10 GLN middle . . 52 A 11 PHE middle . . 53 A 12 LYS middle . . 54 A 13 LEU middle . . 55 A 14 VAL middle . . 56 A 15 LEU middle . . 57 A 16 VAL middle . . 58 A 17 GLY middle . false 59 A 18 ASP middle . . 60 A 19 GLY middle . false 61 A 20 GLY middle . false 62 A 21 THR middle . . 63 A 22 GLY middle . false 64 A 23 LYS middle . . 65 A 24 THR middle . . 66 A 25 THR middle . . 67 A 26 PHE middle . . 68 A 27 VAL middle . . 69 A 28 LYS middle . . 70 A 29 ARG middle . . 71 A 30 HIS middle . . 72 A 31 LEU middle . . 73 A 32 THR middle . . 74 A 33 GLY middle . false 75 A 34 GLU middle . . 76 A 35 PHE middle . . 77 A 36 GLU middle . . 78 A 37 LYS middle . . 79 A 38 LYS middle . . 80 A 39 TYR middle . . 81 A 40 VAL middle . . 82 A 41 ALA middle . . 83 A 42 THR middle . . 84 A 43 LEU middle . . 85 A 44 GLY middle . false 86 A 45 VAL middle . . 87 A 46 GLU middle . . 88 A 47 VAL middle . . 89 A 48 HIS middle . . 90 A 49 PRO middle . false 91 A 50 LEU middle . . 92 A 51 VAL middle . . 93 A 52 PHE middle . . 94 A 53 HIS middle . . 95 A 54 THR middle . . 96 A 55 ASN middle . . 97 A 56 ARG middle . . 98 A 57 GLY middle . false 99 A 58 PRO middle . false 100 A 59 ILE middle . . 101 A 60 LYS middle . . 102 A 61 PHE middle . . 103 A 62 ASN middle . . 104 A 63 VAL middle . . 105 A 64 TRP middle . . 106 A 65 ASP middle . . 107 A 66 THR middle . . 108 A 67 ALA middle . . 109 A 68 GLY middle . false 110 A 69 GLN middle . . 111 A 70 GLU middle . . 112 A 71 LYS middle . . 113 A 72 PHE middle . . 114 A 73 GLY middle . false 115 A 74 GLY middle . false 116 A 75 LEU middle . . 117 A 76 ARG middle . . 118 A 77 ASP middle . . 119 A 78 GLY middle . false 120 A 79 TYR middle . . 121 A 80 TYR middle . . 122 A 81 ILE middle . . 123 A 82 GLN middle . . 124 A 83 ALA middle . . 125 A 84 GLN middle . . 126 A 85 CYS middle . . 127 A 86 ALA middle . . 128 A 87 ILE middle . . 129 A 88 ILE middle . . 130 A 89 MET middle . . 131 A 90 PHE middle . . 132 A 91 ASP middle . . 133 A 92 VAL middle . . 134 A 93 THR middle . . 135 A 94 SER middle . . 136 A 95 ARG middle . . 137 A 96 VAL middle . . 138 A 97 THR middle . . 139 A 98 TYR middle . . 140 A 99 LYS middle . . 141 A 100 ASN middle . . 142 A 101 VAL middle . . 143 A 102 PRO middle . false 144 A 103 ASN middle . . 145 A 104 TRP middle . . 146 A 105 HIS middle . . 147 A 106 ARG middle . . 148 A 107 ASP middle . . 149 A 108 LEU middle . . 150 A 109 VAL middle . . 151 A 110 ARG middle . . 152 A 111 VAL middle . . 153 A 112 CYS middle . . 154 A 113 GLU middle . . 155 A 114 ASN middle . . 156 A 115 ILE middle . . 157 A 116 PRO middle . false 158 A 117 ILE middle . . 159 A 118 VAL middle . . 160 A 119 LEU middle . . 161 A 120 CYS middle . . 162 A 121 GLY middle . false 163 A 122 ASN middle . . 164 A 123 LYS middle . . 165 A 124 VAL middle . . 166 A 125 ASP middle . . 167 A 126 ILE middle . . 168 A 127 LYS middle . . 169 A 128 ASP middle . . 170 A 129 ARG middle . . 171 A 130 LYS middle . . 172 A 131 VAL middle . . 173 A 132 LYS middle . . 174 A 133 ALA middle . . 175 A 134 LYS middle . . 176 A 135 SER middle . . 177 A 136 ILE middle . . 178 A 137 VAL middle . . 179 A 138 PHE middle . . 180 A 139 HIS middle . . 181 A 140 ARG middle . . 182 A 141 LYS middle . . 183 A 142 LYS middle . . 184 A 143 ASN middle . . 185 A 144 LEU middle . . 186 A 145 GLN middle . . 187 A 146 TYR middle . . 188 A 147 TYR middle . . 189 A 148 ASP middle . . 190 A 149 ILE middle . . 191 A 150 SER middle . . 192 A 151 ALA middle . . 193 A 152 LYS middle . . 194 A 153 SER middle . . 195 A 154 ASN middle . . 196 A 155 TYR middle . . 197 A 156 ASN middle . . 198 A 157 PHE middle . . 199 A 158 GLU middle . . 200 A 159 LYS middle . . 201 A 160 PRO middle . false 202 A 161 PHE middle . . 203 A 162 LEU middle . . 204 A 163 TRP middle . . 205 A 164 LEU middle . . 206 A 165 ALA middle . . 207 A 166 ARG middle . . 208 A 167 LYS middle . . 209 A 168 LEU middle . . 210 A 169 ILE middle . . 211 A 170 GLY middle . false 212 A 171 ASP middle . . 213 A 172 PRO middle . false 214 A 173 ASN middle . . 215 A 174 LEU middle . . 216 A 175 GLU middle . . 217 A 176 PHE middle . . 218 A 177 VAL middle . . 219 A 178 ALA middle . . 220 A 179 MET middle . . 221 A 180 PRO middle . false 222 A 181 ALA middle . . 223 A 182 LEU middle . . 224 A 183 ALA middle . . 225 A 184 PRO middle . false 226 A 185 PRO middle . false 227 A 186 GLU middle . . 228 A 187 VAL middle . . 229 A 188 VAL middle . . 230 A 189 MET middle . . 231 A 190 ASP middle . . 232 A 191 PRO middle . false 233 A 192 ALA middle . . 234 A 193 LEU middle . . 235 A 194 ALA middle . . 236 A 195 ALA middle . . 237 A 196 GLN middle . . 238 A 197 TYR middle . . 239 A 198 GLU middle . . 240 A 199 HIS middle . . 241 A 200 ASP middle . . 242 A 201 LEU middle . . 243 A 202 GLU middle . . 244 A 203 VAL middle . . 245 A 204 ALA middle . . 246 A 205 GLN middle . . 247 A 206 THR middle . . 248 A 207 THR middle . . 249 A 208 ALA middle . . 250 A 209 LEU middle . . 251 A 210 PRO middle . false 252 A 211 ASP middle . . 253 A 212 GLU middle . . 254 A 213 ASP middle . . 255 A 214 ASP middle . . 256 A 215 ASP middle . . 257 A 216 LEU middle . . 258 A 217 GLU middle . . 259 A 218 PHE middle . . 260 A 219 GLU middle . . 261 A 220 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H H 1 8.113 0.020 A 1 MET HBx H 1 1.862 0.020 A 1 MET HBy H 1 1.993 0.020 A 1 MET HGx H 1 2.253 0.020 A 1 MET HGy H 1 2.386 0.020 A 1 MET C C 13 175.979 0.3 A 1 MET CA C 13 52.236 0.3 A 1 MET CB C 13 33.496 0.3 A 1 MET N N 15 112.170 0.3 A 2 ALA H H 1 10.644 0.020 A 2 ALA HB% H 1 1.300 0.020 A 2 ALA C C 13 187.031 0.3 A 2 ALA CA C 13 53.407 0.3 A 2 ALA CB C 13 20.027 0.3 A 2 ALA N N 15 131.228 0.3 A 3 ALA H H 1 8.669 0.020 A 3 ALA HB% H 1 1.343 0.020 A 3 ALA C C 13 176.566 0.3 A 3 ALA CA C 13 49.894 0.3 A 3 ALA CB C 13 18.270 0.3 A 3 ALA N N 15 124.521 0.3 A 4 GLN H H 1 8.919 0.020 A 4 GLN HBx H 1 1.999 0.020 A 4 GLN HBy H 1 2.092 0.020 A 4 GLN HE21 H 1 7.384 0.020 A 4 GLN HE22 H 1 6.875 0.020 A 4 GLN HGx H 1 2.147 0.020 A 4 GLN HGy H 1 2.186 0.020 A 4 GLN C C 13 176.273 0.3 A 4 GLN CA C 13 54.579 0.3 A 4 GLN CB C 13 27.054 0.3 A 4 GLN N N 15 118.080 0.3 A 4 GLN NE2 N 15 114.539 0.3 A 5 GLY H H 1 8.082 0.020 A 5 GLY HAx H 1 4.069 0.020 A 5 GLY HAy H 1 4.147 0.020 A 5 GLY C C 13 181.877 0.3 A 5 GLY CA C 13 45.794 0.3 A 5 GLY N N 15 121.002 0.3 A 6 GLU H H 1 9.267 0.020 A 6 GLU HBx H 1 1.920 0.020 A 6 GLU HBy H 1 1.960 0.020 A 6 GLU HGy H 1 2.260 0.020 A 6 GLU HGx H 1 2.240 0.020 A 6 GLU C C 13 176.566 0.3 A 6 GLU CA C 13 56.336 0.3 A 6 GLU CB C 13 28.811 0.3 A 6 GLU N N 15 129.435 0.3 A 7 PRO HBx H 1 2.069 0.020 A 7 PRO HBy H 1 2.249 0.020 A 7 PRO HDx H 1 3.673 0.020 A 7 PRO HDy H 1 3.837 0.020 A 7 PRO HGx H 1 1.868 0.020 A 7 PRO HGy H 1 1.932 0.020 A 7 PRO C C 13 176.566 0.3 A 7 PRO CA C 13 63.672 0.3 A 7 PRO CB C 13 31.146 0.3 A 7 PRO N N 15 118.677 0.3 A 8 GLN H H 1 6.220 0.020 A 8 GLN HBx H 1 1.727 0.020 A 8 GLN HBy H 1 1.853 0.020 A 8 GLN HE21 H 1 7.316 0.020 A 8 GLN HE22 H 1 6.875 0.020 A 8 GLN HGx H 1 2.001 0.020 A 8 GLN HGy H 1 2.267 0.020 A 8 GLN C C 13 177.445 0.3 A 8 GLN CA C 13 50.479 0.3 A 8 GLN CB C 13 28.811 0.3 A 8 GLN N N 15 112.502 0.3 A 8 GLN NE2 N 15 119.882 0.3 A 9 VAL H H 1 6.561 0.020 A 9 VAL HGx% H 1 0.682 0.020 A 9 VAL HGy% H 1 0.932 0.020 A 9 VAL C C 13 178.324 0.3 A 9 VAL CA C 13 63.363 0.3 A 9 VAL CB C 13 34.668 0.3 A 9 VAL CG1 C 13 20.304 0.3 A 9 VAL CG2 C 13 21.476 0.3 A 9 VAL N N 15 117.416 0.3 A 10 GLN H H 1 7.847 0.020 A 10 GLN HBx H 1 2.086 0.020 A 10 GLN HBy H 1 2.172 0.020 A 10 GLN HE21 H 1 7.433 0.020 A 10 GLN HE22 H 1 7.042 0.020 A 10 GLN HGx H 1 2.274 0.020 A 10 GLN HGy H 1 2.571 0.020 A 10 GLN C C 13 176.273 0.3 A 10 GLN CA C 13 55.164 0.3 A 10 GLN CB C 13 28.226 0.3 A 10 GLN N N 15 113.896 0.3 A 10 GLN NE2 N 15 111.231 0.3 A 11 PHE H H 1 8.262 0.020 A 11 PHE HBx H 1 3.009 0.020 A 11 PHE HBy H 1 3.189 0.020 A 11 PHE HDx H 1 7.042 0.020 A 11 PHE HDy H 1 7.061 0.020 A 11 PHE HEx H 1 7.100 0.020 A 11 PHE HEy H 1 7.120 0.020 A 11 PHE HZ H 1 6.983 0.020 A 11 PHE C C 13 176.566 0.3 A 11 PHE CA C 13 59.849 0.3 A 11 PHE CB C 13 41.109 0.3 A 11 PHE CD1 C 13 129.388 0.3 A 11 PHE CD2 C 13 131.439 0.3 A 11 PHE CE1 C 13 132.025 0.3 A 11 PHE CE2 C 13 132.904 0.3 A 11 PHE CZ C 13 128.509 0.3 A 11 PHE N N 15 118.744 0.3 A 12 LYS H H 1 8.415 0.020 A 12 LYS HBx H 1 1.837 0.020 A 12 LYS HBy H 1 1.892 0.020 A 12 LYS HZ1 H 1 7.433 0.020 A 12 LYS HZ2 H 1 7.433 0.020 A 12 LYS HZ3 H 1 7.433 0.020 A 12 LYS C C 13 177.152 0.3 A 12 LYS CA C 13 57.507 0.3 A 12 LYS CB C 13 28.811 0.3 A 12 LYS N N 15 124.123 0.3 A 12 LYS NZ N 15 49.231 0.3 A 13 LEU H H 1 6.905 0.020 A 13 LEU HBx H 1 1.829 0.020 A 13 LEU HBy H 1 1.945 0.020 A 13 LEU HDx% H 1 1.704 0.020 A 13 LEU HDy% H 1 1.978 0.020 A 13 LEU C C 13 177.738 0.3 A 13 LEU CA C 13 54.579 0.3 A 13 LEU CB C 13 42.866 0.3 A 13 LEU CD1 C 13 22.062 0.3 A 13 LEU CD2 C 13 22.941 0.3 A 13 LEU N N 15 112.103 0.3 A 14 VAL H H 1 8.305 0.020 A 14 VAL HGx% H 1 0.820 0.020 A 14 VAL HGy% H 1 0.931 0.020 A 14 VAL C C 13 175.393 0.3 A 14 VAL CA C 13 70.976 0.3 A 14 VAL CB C 13 28.811 0.3 A 14 VAL CG1 C 13 21.183 0.3 A 14 VAL CG2 C 13 22.062 0.3 A 14 VAL N N 15 127.310 0.3 A 15 LEU H H 1 7.785 0.020 A 15 LEU HBx H 1 1.327 0.020 A 15 LEU HBy H 1 1.570 0.020 A 15 LEU HDx% H 1 0.742 0.020 A 15 LEU HDy% H 1 0.820 0.020 A 15 LEU C C 13 173.342 0.3 A 15 LEU CA C 13 56.336 0.3 A 15 LEU CB C 13 41.695 0.3 A 15 LEU CD1 C 13 24.113 0.3 A 15 LEU CD2 C 13 24.992 0.3 A 15 LEU N N 15 121.400 0.3 A 16 VAL H H 1 8.935 0.020 A 16 VAL HGx% H 1 0.820 0.020 A 16 VAL HGy% H 1 0.945 0.020 A 16 VAL C C 13 178.324 0.3 A 16 VAL CA C 13 63.363 0.3 A 16 VAL CB C 13 35.839 0.3 A 16 VAL CG1 C 13 20.304 0.3 A 16 VAL CG2 C 13 20.890 0.3 A 16 VAL N N 15 121.267 0.3 A 17 GLY H H 1 9.682 0.020 A 17 GLY HAx H 1 3.991 0.020 A 17 GLY HAy H 1 4.171 0.020 A 17 GLY C C 13 174.514 0.3 A 17 GLY CA C 13 42.281 0.3 A 17 GLY N N 15 127.908 0.3 A 18 ASP H H 1 7.879 0.020 A 18 ASP HBx H 1 2.888 0.020 A 18 ASP HBy H 1 2.901 0.020 A 18 ASP C C 13 176.859 0.3 A 18 ASP CA C 13 55.750 0.3 A 18 ASP CB C 13 39.938 0.3 A 18 ASP N N 15 119.673 0.3 A 19 GLY H H 1 8.825 0.020 A 19 GLY HAy H 1 4.171 0.020 A 19 GLY HAx H 1 3.976 0.020 A 19 GLY C C 13 178.324 0.3 A 19 GLY CA C 13 42.281 0.3 A 19 GLY N N 15 120.670 0.3 A 20 GLY H H 1 8.477 0.020 A 20 GLY HA2 H 1 4.069 0.020 A 20 GLY HA3 H 1 4.069 0.020 A 20 GLY C C 13 174.221 0.3 A 20 GLY CA C 13 41.695 0.3 A 20 GLY N N 15 129.369 0.3 A 21 THR H H 1 8.196 0.020 A 21 THR HG1 H 1 6.377 0.020 A 21 THR HG2% H 1 1.155 0.020 A 21 THR C C 13 178.617 0.3 A 21 THR CA C 13 62.192 0.3 A 21 THR CB C 13 70.390 0.3 A 21 THR CG2 C 13 21.183 0.3 A 21 THR N N 15 114.560 0.3 A 22 GLY H H 1 6.772 0.020 A 22 GLY HAx H 1 3.999 0.020 A 22 GLY HAy H 1 4.178 0.020 A 22 GLY C C 13 184.807 0.3 A 22 GLY CA C 13 45.209 0.3 A 22 GLY N N 15 112.369 0.3 A 23 LYS H H 1 8.180 0.020 A 23 LYS HBx H 1 1.807 0.020 A 23 LYS HBy H 1 1.979 0.020 A 23 LYS HDx H 1 1.366 0.020 A 23 LYS HDy H 1 1.507 0.020 A 23 LYS HEx H 1 3.053 0.020 A 23 LYS HEy H 1 3.108 0.020 A 23 LYS HGx H 1 1.147 0.020 A 23 LYS HGy H 1 1.172 0.020 A 23 LYS HZ1 H 1 7.433 0.020 A 23 LYS HZ2 H 1 7.433 0.020 A 23 LYS HZ3 H 1 7.433 0.020 A 23 LYS C C 13 176.566 0.3 A 23 LYS CA C 13 56.921 0.3 A 23 LYS CB C 13 35.839 0.3 A 23 LYS N N 15 124.056 0.3 A 23 LYS NZ N 15 30.294 0.3 A 24 THR H H 1 8.469 0.020 A 24 THR HG1 H 1 5.907 0.020 A 24 THR HG2% H 1 1.210 0.020 A 24 THR C C 13 178.324 0.3 A 24 THR CA C 13 62.192 0.3 A 24 THR CB C 13 71.562 0.3 A 24 THR CG2 C 13 21.476 0.3 A 24 THR N N 15 114.627 0.3 A 25 THR H H 1 8.415 0.020 A 25 THR HG1 H 1 5.389 0.020 A 25 THR HG2% H 1 1.235 0.020 A 25 THR C C 13 178.324 0.3 A 25 THR CA C 13 64.534 0.3 A 25 THR CB C 13 71.562 0.3 A 25 THR CG2 C 13 21.769 0.3 A 25 THR N N 15 110.377 0.3 A 26 PHE H H 1 7.707 0.020 A 26 PHE HBx H 1 2.999 0.020 A 26 PHE HBy H 1 3.045 0.020 A 26 PHE HDy H 1 7.052 0.020 A 26 PHE HDx H 1 7.022 0.020 A 26 PHE HEy H 1 7.140 0.020 A 26 PHE HEx H 1 7.110 0.020 A 26 PHE HZ H 1 6.993 0.020 A 26 PHE C C 13 174.514 0.3 A 26 PHE CA C 13 53.407 0.3 A 26 PHE CB C 13 40.524 0.3 A 26 PHE CD1 C 13 132.611 0.3 A 26 PHE CD2 C 13 132.025 0.3 A 26 PHE CE1 C 13 131.439 0.3 A 26 PHE CE2 C 13 130.560 0.3 A 26 PHE CZ C 13 129.974 0.3 A 26 PHE N N 15 114.295 0.3 A 27 VAL H H 1 6.987 0.020 A 27 VAL HGx% H 1 0.742 0.020 A 27 VAL HGy% H 1 0.836 0.020 A 27 VAL C C 13 178.031 0.3 A 27 VAL CA C 13 67.462 0.3 A 27 VAL CB C 13 29.397 0.3 A 27 VAL CG1 C 13 20.304 0.3 A 27 VAL CG2 C 13 20.890 0.3 A 27 VAL N N 15 123.525 0.3 A 28 LYS H H 1 7.429 0.020 A 28 LYS HBx H 1 1.767 0.020 A 28 LYS HBy H 1 1.798 0.020 A 28 LYS HDx H 1 1.547 0.020 A 28 LYS HDy H 1 1.563 0.020 A 28 LYS HEx H 1 3.030 0.020 A 28 LYS HEy H 1 3.077 0.020 A 28 LYS HGx H 1 1.203 0.020 A 28 LYS HGy H 1 1.227 0.020 A 28 LYS HZ1 H 1 7.501 0.020 A 28 LYS HZ2 H 1 7.501 0.020 A 28 LYS HZ3 H 1 7.501 0.020 A 28 LYS C C 13 176.566 0.3 A 28 LYS CA C 13 58.092 0.3 A 28 LYS CB C 13 34.082 0.3 A 28 LYS N N 15 114.228 0.3 A 28 LYS NZ N 15 39.203 0.3 A 29 ARG H H 1 6.803 0.020 A 29 ARG HBx H 1 1.679 0.020 A 29 ARG HBy H 1 1.713 0.020 A 29 ARG HDx H 1 3.045 0.020 A 29 ARG HDy H 1 3.111 0.020 A 29 ARG HE H 1 7.472 0.020 A 29 ARG HGx H 1 1.421 0.020 A 29 ARG HGy H 1 1.538 0.020 A 29 ARG HH11 H 1 6.690 0.020 A 29 ARG HH12 H 1 6.621 0.020 A 29 ARG HH21 H 1 6.768 0.020 A 29 ARG HH22 H 1 6.915 0.020 A 29 ARG C C 13 174.221 0.3 A 29 ARG CA C 13 72.147 0.3 A 29 ARG CB C 13 37.596 0.3 A 29 ARG CZ C 13 161.621 0.3 A 29 ARG N N 15 112.037 0.3 A 29 ARG NE N 15 93.291 0.3 A 29 ARG NH1 N 15 79.392 0.3 A 29 ARG NH2 N 15 79.302 0.3 A 30 HIS H H 1 7.644 0.020 A 30 HIS HBx H 1 3.178 0.020 A 30 HIS HBy H 1 3.296 0.020 A 30 HIS HD1 H 1 10.269 0.020 A 30 HIS HD2 H 1 7.228 0.020 A 30 HIS HE1 H 1 7.814 0.020 A 30 HIS HE2 H 1 11.376 0.020 A 30 HIS C C 13 172.170 0.3 A 30 HIS CA C 13 51.651 0.3 A 30 HIS CB C 13 30.568 0.3 A 30 HIS CD2 C 13 117.374 0.3 A 30 HIS CE1 C 13 139.351 0.3 A 30 HIS N N 15 122.396 0.3 A 30 HIS ND1 N 15 194.294 0.3 A 30 HIS NE2 N 15 177.332 0.3 A 31 LEU H H 1 7.894 0.020 A 31 LEU HBx H 1 1.382 0.020 A 31 LEU HBy H 1 1.562 0.020 A 31 LEU HDx% H 1 0.815 0.020 A 31 LEU HDy% H 1 0.971 0.020 A 31 LEU C C 13 178.031 0.3 A 31 LEU CA C 13 55.164 0.3 A 31 LEU CB C 13 42.281 0.3 A 31 LEU CD1 C 13 22.062 0.3 A 31 LEU CD2 C 13 22.941 0.3 A 31 LEU N N 15 110.377 0.3 A 32 THR H H 1 7.570 0.020 A 32 THR HG1 H 1 5.712 0.020 A 32 THR HG2% H 1 1.155 0.020 A 32 THR C C 13 178.910 0.3 A 32 THR CA C 13 63.949 0.3 A 32 THR CB C 13 72.733 0.3 A 32 THR CG2 C 13 21.769 0.3 A 32 THR N N 15 118.213 0.3 A 33 GLY H H 1 9.662 0.020 A 33 GLY HAx H 1 3.991 0.020 A 33 GLY HAy H 1 4.171 0.020 A 33 GLY C C 13 161.914 0.3 A 33 GLY CA C 13 42.866 0.3 A 33 GLY N N 15 127.841 0.3 A 34 GLU H H 1 7.140 0.020 A 34 GLU HBx H 1 2.022 0.020 A 34 GLU HBy H 1 2.085 0.020 A 34 GLU HGy H 1 2.163 0.020 A 34 GLU HGx H 1 2.133 0.020 A 34 GLU C C 13 176.859 0.3 A 34 GLU CA C 13 51.651 0.3 A 34 GLU CB C 13 29.397 0.3 A 34 GLU N N 15 122.263 0.3 A 35 PHE H H 1 6.772 0.020 A 35 PHE HBx H 1 2.993 0.020 A 35 PHE HBy H 1 3.095 0.020 A 35 PHE HDx H 1 7.022 0.020 A 35 PHE HDy H 1 7.061 0.020 A 35 PHE HEx H 1 7.081 0.020 A 35 PHE HEy H 1 7.100 0.020 A 35 PHE HZ H 1 6.924 0.020 A 35 PHE C C 13 174.221 0.3 A 35 PHE CA C 13 49.308 0.3 A 35 PHE CB C 13 41.695 0.3 A 35 PHE CD1 C 13 132.611 0.3 A 35 PHE CD2 C 13 133.783 0.3 A 35 PHE CE1 C 13 130.853 0.3 A 35 PHE CE2 C 13 131.732 0.3 A 35 PHE CZ C 13 129.681 0.3 A 35 PHE N N 15 111.838 0.3 A 36 GLU H H 1 7.734 0.020 A 36 GLU HBx H 1 2.186 0.020 A 36 GLU HBy H 1 2.225 0.020 A 36 GLU HGx H 1 2.311 0.020 A 36 GLU HGy H 1 2.390 0.020 A 36 GLU C C 13 176.859 0.3 A 36 GLU CA C 13 58.092 0.3 A 36 GLU CB C 13 30.568 0.3 A 36 GLU N N 15 124.388 0.3 A 37 LYS H H 1 8.509 0.020 A 37 LYS HBx H 1 1.801 0.020 A 37 LYS HBy H 1 1.932 0.020 A 37 LYS HDx H 1 1.570 0.020 A 37 LYS HDy H 1 1.656 0.020 A 37 LYS HEx H 1 2.929 0.020 A 37 LYS HEy H 1 3.036 0.020 A 37 LYS HGx H 1 1.296 0.020 A 37 LYS HGy H 1 1.374 0.020 A 37 LYS HZ1 H 1 7.247 0.020 A 37 LYS HZ2 H 1 7.247 0.020 A 37 LYS HZ3 H 1 7.247 0.020 A 37 LYS C C 13 172.756 0.3 A 37 LYS CA C 13 48.137 0.3 A 37 LYS CB C 13 37.010 0.3 A 37 LYS N N 15 118.810 0.3 A 37 LYS NZ N 15 53.201 0.3 A 38 LYS H H 1 7.715 0.020 A 38 LYS HBx H 1 1.828 0.020 A 38 LYS HBy H 1 1.945 0.020 A 38 LYS HDx H 1 1.476 0.020 A 38 LYS HDy H 1 1.601 0.020 A 38 LYS HEx H 1 2.991 0.020 A 38 LYS HEy H 1 3.124 0.020 A 38 LYS HGx H 1 1.210 0.020 A 38 LYS HGy H 1 1.405 0.020 A 38 LYS HZ1 H 1 7.364 0.020 A 38 LYS HZ2 H 1 7.364 0.020 A 38 LYS HZ3 H 1 7.364 0.020 A 38 LYS C C 13 176.273 0.3 A 38 LYS CA C 13 59.849 0.3 A 38 LYS CB C 13 34.668 0.3 A 38 LYS CD C 13 29.095 0.3 A 38 LYS CE C 13 41.695 0.3 A 38 LYS N N 15 108.052 0.3 A 38 LYS NZ N 15 52.396 0.3 A 39 TYR H H 1 7.362 0.020 A 39 TYR HBx H 1 2.984 0.020 A 39 TYR HBy H 1 3.117 0.020 A 39 TYR HDx H 1 6.895 0.020 A 39 TYR HDy H 1 6.924 0.020 A 39 TYR HEx H 1 6.641 0.020 A 39 TYR HEy H 1 6.670 0.020 A 39 TYR HH H 1 9.193 0.020 A 39 TYR C C 13 175.686 0.3 A 39 TYR CA C 13 61.020 0.3 A 39 TYR CB C 13 36.424 0.3 A 39 TYR CD1 C 13 131.146 0.3 A 39 TYR CD2 C 13 133.197 0.3 A 39 TYR CE1 C 13 117.374 0.3 A 39 TYR CE2 C 13 118.546 0.3 A 39 TYR CZ C 13 155.174 0.3 A 39 TYR N N 15 108.650 0.3 A 40 VAL H H 1 8.442 0.020 A 40 VAL HGx% H 1 0.813 0.020 A 40 VAL HGy% H 1 0.946 0.020 A 40 VAL C C 13 175.393 0.3 A 40 VAL CA C 13 61.020 0.3 A 40 VAL CB C 13 31.154 0.3 A 40 VAL CG1 C 13 20.011 0.3 A 40 VAL CG2 C 13 21.183 0.3 A 40 VAL N N 15 117.947 0.3 A 42 THR H H 1 8.192 0.020 A 42 THR HG1 H 1 5.311 0.020 A 42 THR HG2% H 1 1.045 0.020 A 42 THR C C 13 178.910 0.3 A 42 THR CA C 13 60.435 0.3 A 42 THR CB C 13 70.390 0.3 A 42 THR CG2 C 13 21.769 0.3 A 42 THR N N 15 117.150 0.3 A 43 LEU H H 1 9.260 0.020 A 43 LEU HBx H 1 1.407 0.020 A 43 LEU HBy H 1 1.727 0.020 A 43 LEU HDx% H 1 0.774 0.020 A 43 LEU HDy% H 1 0.853 0.020 A 43 LEU C C 13 174.807 0.3 A 43 LEU CA C 13 57.507 0.3 A 43 LEU CB C 13 42.866 0.3 A 43 LEU CD1 C 13 22.062 0.3 A 43 LEU CD2 C 13 22.941 0.3 A 43 LEU N N 15 119.209 0.3 A 44 GLY H H 1 6.979 0.020 A 44 GLY HAx H 1 4.045 0.020 A 44 GLY HAy H 1 4.108 0.020 A 44 GLY C C 13 178.910 0.3 A 44 GLY CA C 13 54.579 0.3 A 44 GLY N N 15 114.361 0.3 A 45 VAL H H 1 8.309 0.020 A 45 VAL HGx% H 1 0.876 0.020 A 45 VAL HGy% H 1 0.970 0.020 A 45 VAL C C 13 174.807 0.3 A 45 VAL CA C 13 63.363 0.3 A 45 VAL CB C 13 17.099 0.3 A 45 VAL CG1 C 13 20.011 0.3 A 45 VAL CG2 C 13 20.597 0.3 A 45 VAL N N 15 110.244 0.3 A 46 GLU H H 1 9.741 0.020 A 46 GLU HBx H 1 1.920 0.020 A 46 GLU HBy H 1 1.950 0.020 A 46 GLU HGx H 1 2.150 0.020 A 46 GLU HGy H 1 2.180 0.020 A 46 GLU C C 13 176.859 0.3 A 46 GLU CA C 13 55.164 0.3 A 46 GLU CB C 13 32.325 0.3 A 46 GLU N N 15 130.365 0.3 A 47 VAL H H 1 7.339 0.020 A 47 VAL HGx% H 1 0.634 0.020 A 47 VAL HGy% H 1 0.868 0.020 A 47 VAL C C 13 178.324 0.3 A 47 VAL CA C 13 63.363 0.3 A 47 VAL CB C 13 32.911 0.3 A 47 VAL CG1 C 13 20.011 0.3 A 47 VAL CG2 C 13 20.890 0.3 A 47 VAL N N 15 115.623 0.3 A 48 HIS H H 1 10.390 0.020 A 48 HIS HBx H 1 3.020 0.020 A 48 HIS HBy H 1 3.092 0.020 A 48 HIS HD1 H 1 10.435 0.020 A 48 HIS HD2 H 1 7.179 0.020 A 48 HIS HE1 H 1 7.971 0.020 A 48 HIS HE2 H 1 11.298 0.020 A 48 HIS C C 13 169.240 0.3 A 48 HIS CA C 13 49.894 0.3 A 48 HIS CB C 13 27.640 0.3 A 48 HIS CD2 C 13 120.011 0.3 A 48 HIS CE1 C 13 139.351 0.3 A 48 HIS N N 15 129.236 0.3 A 48 HIS ND1 N 15 194.229 0.3 A 48 HIS NE2 N 15 178.938 0.3 A 49 PRO HBx H 1 2.155 0.020 A 49 PRO HBy H 1 2.335 0.020 A 49 PRO HDx H 1 3.820 0.020 A 49 PRO HDy H 1 3.836 0.020 A 49 PRO HGx H 1 2.006 0.020 A 49 PRO HGy H 1 2.172 0.020 A 49 PRO C C 13 176.273 0.3 A 49 PRO CA C 13 62.500 0.3 A 49 PRO CB C 13 29.974 0.3 A 49 PRO N N 15 123.193 0.3 A 50 LEU H H 1 7.492 0.020 A 50 LEU HBx H 1 1.673 0.020 A 50 LEU HBy H 1 1.860 0.020 A 50 LEU HDx% H 1 0.507 0.020 A 50 LEU HDy% H 1 0.820 0.020 A 50 LEU C C 13 177.445 0.3 A 50 LEU CA C 13 59.264 0.3 A 50 LEU CB C 13 42.281 0.3 A 50 LEU CD1 C 13 24.406 0.3 A 50 LEU CD2 C 13 24.992 0.3 A 50 LEU N N 15 119.408 0.3 A 51 VAL H H 1 7.715 0.020 A 51 VAL HGx% H 1 0.876 0.020 A 51 VAL HGy% H 1 0.907 0.020 A 51 VAL C C 13 174.514 0.3 A 51 VAL CA C 13 64.534 0.3 A 51 VAL CB C 13 37.010 0.3 A 51 VAL CG1 C 13 20.011 0.3 A 51 VAL CG2 C 13 20.890 0.3 A 51 VAL N N 15 117.947 0.3 A 52 PHE H H 1 8.935 0.020 A 52 PHE HBx H 1 3.085 0.020 A 52 PHE HBy H 1 3.147 0.020 A 52 PHE HDy H 1 7.071 0.020 A 52 PHE HDx H 1 7.022 0.020 A 52 PHE HEy H 1 6.954 0.020 A 52 PHE HEx H 1 6.934 0.020 A 52 PHE HZ H 1 7.100 0.020 A 52 PHE C C 13 175.100 0.3 A 52 PHE CA C 13 56.336 0.3 A 52 PHE CB C 13 39.938 0.3 A 52 PHE CD1 C 13 132.318 0.3 A 52 PHE CD2 C 13 133.197 0.3 A 52 PHE CE1 C 13 129.095 0.3 A 52 PHE CE2 C 13 130.267 0.3 A 52 PHE CZ C 13 125.871 0.3 A 52 PHE N N 15 124.853 0.3 A 53 HIS H H 1 8.356 0.020 A 53 HIS HBx H 1 3.077 0.020 A 53 HIS HBy H 1 3.218 0.020 A 53 HIS HD1 H 1 10.367 0.020 A 53 HIS HD2 H 1 7.384 0.020 A 53 HIS HE1 H 1 7.932 0.020 A 53 HIS HE2 H 1 11.083 0.020 A 53 HIS C C 13 170.119 0.3 A 53 HIS CA C 13 55.164 0.3 A 53 HIS CB C 13 30.568 0.3 A 53 HIS CD2 C 13 117.960 0.3 A 53 HIS CE1 C 13 141.695 0.3 A 53 HIS N N 15 120.603 0.3 A 53 HIS ND1 N 15 197.322 0.3 A 53 HIS NE2 N 15 177.382 0.3 A 54 THR H H 1 7.574 0.020 A 54 THR HG1 H 1 5.594 0.020 A 54 THR HG2% H 1 1.147 0.020 A 54 THR C C 13 178.910 0.3 A 54 THR CA C 13 63.363 0.3 A 54 THR CB C 13 72.733 0.3 A 54 THR CG2 C 13 21.769 0.3 A 54 THR N N 15 112.634 0.3 A 55 ASN H H 1 10.187 0.020 A 55 ASN HBy H 1 2.860 0.020 A 55 ASN HBx H 1 2.820 0.020 A 55 ASN HD21 H 1 7.179 0.020 A 55 ASN HD22 H 1 7.413 0.020 A 55 ASN C C 13 176.273 0.3 A 55 ASN CA C 13 51.065 0.3 A 55 ASN CB C 13 37.010 0.3 A 55 ASN N N 15 131.095 0.3 A 55 ASN ND2 N 15 114.203 0.3 A 56 ARG H H 1 7.433 0.020 A 56 ARG HBx H 1 1.461 0.020 A 56 ARG HBy H 1 1.992 0.020 A 56 ARG HDx H 1 3.069 0.020 A 56 ARG HDy H 1 3.186 0.020 A 56 ARG HGx H 1 1.343 0.020 A 56 ARG HGy H 1 1.366 0.020 A 56 ARG HH11 H 1 6.797 0.020 A 56 ARG HH12 H 1 6.758 0.020 A 56 ARG HH21 H 1 6.885 0.020 A 56 ARG HH22 H 1 6.983 0.020 A 56 ARG C C 13 175.100 0.3 A 56 ARG CA C 13 61.606 0.3 A 56 ARG CB C 13 32.911 0.3 A 56 ARG CZ C 13 161.914 0.3 A 56 ARG N N 15 122.064 0.3 A 56 ARG NE N 15 90.393 0.3 A 56 ARG NH1 N 15 81.938 0.3 A 56 ARG NH2 N 15 81.229 0.3 A 57 GLY H H 1 9.373 0.020 A 57 GLY HAx H 1 3.991 0.020 A 57 GLY HAy H 1 4.014 0.020 A 57 GLY C C 13 175.979 0.3 A 57 GLY CA C 13 42.281 0.3 A 57 GLY N N 15 127.709 0.3 A 58 PRO HBx H 1 2.185 0.020 A 58 PRO HBy H 1 2.228 0.020 A 58 PRO HDx H 1 3.577 0.020 A 58 PRO HDy H 1 3.632 0.020 A 58 PRO HGx H 1 1.868 0.020 A 58 PRO HGy H 1 1.946 0.020 A 58 PRO C C 13 177.152 0.3 A 58 PRO CA C 13 65.137 0.3 A 58 PRO CB C 13 29.095 0.3 A 58 PRO N N 15 114.560 0.3 A 59 ILE H H 1 8.794 0.020 A 59 ILE HD1% H 1 0.752 0.020 A 59 ILE HG1y H 1 1.422 0.020 A 59 ILE HG1x H 1 1.193 0.020 A 59 ILE HG2% H 1 0.820 0.020 A 59 ILE C C 13 175.979 0.3 A 59 ILE CA C 13 65.120 0.3 A 59 ILE CB C 13 40.524 0.3 A 59 ILE CD1 C 13 13.564 0.3 A 59 ILE CG1 C 13 28.802 0.3 A 59 ILE CG2 C 13 18.253 0.3 A 59 ILE N N 15 128.638 0.3 A 60 LYS H H 1 7.253 0.020 A 60 LYS HBx H 1 1.870 0.020 A 60 LYS HBy H 1 1.936 0.020 A 60 LYS HDx H 1 1.343 0.020 A 60 LYS HDy H 1 1.538 0.020 A 60 LYS HEx H 1 2.853 0.020 A 60 LYS HEy H 1 2.915 0.020 A 60 LYS HGx H 1 1.202 0.020 A 60 LYS HGy H 1 1.218 0.020 A 60 LYS HZ1 H 1 7.531 0.020 A 60 LYS HZ2 H 1 7.531 0.020 A 60 LYS HZ3 H 1 7.531 0.020 A 60 LYS C C 13 175.979 0.3 A 60 LYS CA C 13 56.921 0.3 A 60 LYS CB C 13 32.325 0.3 A 60 LYS N N 15 115.756 0.3 A 60 LYS NZ N 15 48.294 0.3 A 61 PHE H H 1 7.515 0.020 A 61 PHE HBx H 1 3.092 0.020 A 61 PHE HBy H 1 3.186 0.020 A 61 PHE HDx H 1 7.003 0.020 A 61 PHE HDy H 1 7.032 0.020 A 61 PHE HEx H 1 7.051 0.020 A 61 PHE HEy H 1 7.081 0.020 A 61 PHE HZ H 1 6.954 0.020 A 61 PHE C C 13 175.393 0.3 A 61 PHE CA C 13 57.507 0.3 A 61 PHE CB C 13 41.109 0.3 A 61 PHE CD1 C 13 131.146 0.3 A 61 PHE CD2 C 13 131.732 0.3 A 61 PHE CE1 C 13 129.974 0.3 A 61 PHE CE2 C 13 130.560 0.3 A 61 PHE CZ C 13 128.802 0.3 A 61 PHE N N 15 120.670 0.3 A 62 ASN H H 1 7.558 0.020 A 62 ASN HBx H 1 2.922 0.020 A 62 ASN HBy H 1 2.969 0.020 A 62 ASN HD21 H 1 7.071 0.020 A 62 ASN HD22 H 1 7.452 0.020 A 62 ASN C C 13 175.100 0.3 A 62 ASN CA C 13 53.407 0.3 A 62 ASN CB C 13 38.767 0.3 A 62 ASN N N 15 119.076 0.3 A 62 ASN ND2 N 15 113.992 0.3 A 63 VAL H H 1 8.113 0.020 A 63 VAL HB H 1 2.053 0.020 A 63 VAL HGx% H 1 0.876 0.020 A 63 VAL HGy% H 1 0.946 0.020 A 63 VAL C C 13 175.100 0.3 A 63 VAL CA C 13 61.020 0.3 A 63 VAL CB C 13 31.154 0.3 A 63 VAL CG1 C 13 21.476 0.3 A 63 VAL CG2 C 13 22.355 0.3 A 63 VAL N N 15 106.127 0.3 A 64 TRP H H 1 8.970 0.020 A 64 TRP HBy H 1 3.130 0.020 A 64 TRP HBx H 1 3.110 0.020 A 64 TRP HD1 H 1 7.130 0.020 A 64 TRP HE1 H 1 10.093 0.020 A 64 TRP HE3 H 1 7.286 0.020 A 64 TRP HH2 H 1 6.963 0.020 A 64 TRP HZ2 H 1 7.355 0.020 A 64 TRP HZ3 H 1 6.836 0.020 A 64 TRP C C 13 177.152 0.3 A 64 TRP CA C 13 59.264 0.3 A 64 TRP CB C 13 29.397 0.3 A 64 TRP CD1 C 13 126.164 0.3 A 64 TRP CD2 C 13 128.509 0.3 A 64 TRP CE2 C 13 139.058 0.3 A 64 TRP CE3 C 13 120.597 0.3 A 64 TRP CH2 C 13 124.406 0.3 A 64 TRP CZ2 C 13 114.443 0.3 A 64 TRP CZ3 C 13 121.476 0.3 A 64 TRP N N 15 129.302 0.3 A 64 TRP NE1 N 15 133.865 0.3 A 65 ASP H H 1 8.638 0.020 A 65 ASP HBx H 1 2.618 0.020 A 65 ASP HBy H 1 2.767 0.020 A 65 ASP C C 13 174.514 0.3 A 65 ASP CA C 13 55.164 0.3 A 65 ASP CB C 13 41.109 0.3 A 65 ASP N N 15 119.607 0.3 A 66 THR H H 1 8.293 0.020 A 66 THR HG1 H 1 6.015 0.020 A 66 THR HG2% H 1 1.121 0.020 A 66 THR C C 13 178.617 0.3 A 66 THR CA C 13 68.048 0.3 A 66 THR CB C 13 71.562 0.3 A 66 THR N N 15 122.463 0.3 A 67 ALA H H 1 8.657 0.020 A 67 ALA HB% H 1 1.186 0.020 A 67 ALA C C 13 177.738 0.3 A 67 ALA CA C 13 48.722 0.3 A 67 ALA CB C 13 14.171 0.3 A 67 ALA N N 15 104.865 0.3 A 68 GLY H H 1 10.969 0.020 A 68 GLY HAy H 1 4.085 0.020 A 68 GLY HAx H 1 3.804 0.020 A 68 GLY C C 13 189.533 0.3 A 68 GLY CA C 13 45.209 0.3 A 68 GLY N N 15 115.357 0.3 A 69 GLN H H 1 8.344 0.020 A 69 GLN HBx H 1 1.836 0.020 A 69 GLN HBy H 1 1.922 0.020 A 69 GLN HE21 H 1 7.218 0.020 A 69 GLN HE22 H 1 7.003 0.020 A 69 GLN HGx H 1 2.053 0.020 A 69 GLN HGy H 1 2.202 0.020 A 69 GLN C C 13 176.859 0.3 A 69 GLN CA C 13 55.750 0.3 A 69 GLN CB C 13 27.640 0.3 A 69 GLN N N 15 110.111 0.3 A 69 GLN NE2 N 15 114.221 0.3 A 70 GLU H H 1 9.651 0.020 A 70 GLU HBx H 1 1.961 0.020 A 70 GLU HBy H 1 1.992 0.020 A 70 GLU HGx H 1 2.151 0.020 A 70 GLU HGy H 1 2.274 0.020 A 70 GLU C C 13 176.273 0.3 A 70 GLU CA C 13 57.507 0.3 A 70 GLU CB C 13 28.811 0.3 A 70 GLU N N 15 114.826 0.3 A 71 LYS H H 1 8.712 0.020 A 71 LYS HBx H 1 1.877 0.020 A 71 LYS HBy H 1 1.901 0.020 A 71 LYS HDx H 1 1.687 0.020 A 71 LYS HDy H 1 1.735 0.020 A 71 LYS HEx H 1 2.759 0.020 A 71 LYS HEy H 1 2.954 0.020 A 71 LYS HGx H 1 1.343 0.020 A 71 LYS HGy H 1 1.382 0.020 A 71 LYS HZ1 H 1 7.511 0.020 A 71 LYS HZ2 H 1 7.511 0.020 A 71 LYS HZ3 H 1 7.511 0.020 A 71 LYS C C 13 175.979 0.3 A 71 LYS CA C 13 48.722 0.3 A 71 LYS CB C 13 37.010 0.3 A 71 LYS N N 15 116.685 0.3 A 71 LYS NZ N 15 49.002 0.3 A 72 PHE H H 1 7.965 0.020 A 72 PHE HBx H 1 3.116 0.020 A 72 PHE HBy H 1 3.171 0.020 A 72 PHE HDy H 1 7.061 0.020 A 72 PHE HDx H 1 7.042 0.020 A 72 PHE HEy H 1 7.110 0.020 A 72 PHE HEx H 1 7.081 0.020 A 72 PHE HZ H 1 6.993 0.020 A 72 PHE C C 13 175.686 0.3 A 72 PHE CA C 13 56.336 0.3 A 72 PHE CB C 13 36.424 0.3 A 72 PHE CD1 C 13 131.439 0.3 A 72 PHE CD2 C 13 130.560 0.3 A 72 PHE CE1 C 13 134.369 0.3 A 72 PHE CE2 C 13 132.611 0.3 A 72 PHE CZ C 13 129.974 0.3 A 72 PHE N N 15 114.959 0.3 A 73 GLY H H 1 7.609 0.020 A 73 GLY HAx H 1 3.830 0.020 A 73 GLY HAy H 1 4.030 0.020 A 73 GLY C C 13 168.068 0.3 A 73 GLY CA C 13 42.281 0.3 A 73 GLY N N 15 117.084 0.3 A 74 GLY H H 1 9.326 0.020 A 74 GLY HAx H 1 4.014 0.020 A 74 GLY HAy H 1 4.186 0.020 A 74 GLY C C 13 174.514 0.3 A 74 GLY CA C 13 44.037 0.3 A 74 GLY N N 15 120.537 0.3 A 75 LEU H H 1 7.628 0.020 A 75 LEU HBx H 1 1.311 0.020 A 75 LEU HBy H 1 1.413 0.020 A 75 LEU HDx% H 1 0.853 0.020 A 75 LEU HDy% H 1 0.993 0.020 A 75 LEU C C 13 178.617 0.3 A 75 LEU CA C 13 53.407 0.3 A 75 LEU CB C 13 42.281 0.3 A 75 LEU CD1 C 13 24.113 0.3 A 75 LEU CD2 C 13 24.699 0.3 A 75 LEU N N 15 127.177 0.3 A 76 ARG H H 1 7.143 0.020 A 76 ARG HBx H 1 1.789 0.020 A 76 ARG HBy H 1 1.969 0.020 A 76 ARG HDx H 1 3.008 0.020 A 76 ARG HDy H 1 3.078 0.020 A 76 ARG HE H 1 7.511 0.020 A 76 ARG HGx H 1 1.563 0.020 A 76 ARG HGy H 1 1.634 0.020 A 76 ARG HH11 H 1 6.778 0.020 A 76 ARG HH12 H 1 6.748 0.020 A 76 ARG HH21 H 1 6.875 0.020 A 76 ARG HH22 H 1 6.905 0.020 A 76 ARG C C 13 176.859 0.3 A 76 ARG CA C 13 59.264 0.3 A 76 ARG CB C 13 31.154 0.3 A 76 ARG CZ C 13 159.570 0.3 A 76 ARG N N 15 116.486 0.3 A 76 ARG NE N 15 93.293 0.3 A 76 ARG NH1 N 15 81.395 0.3 A 76 ARG NH2 N 15 79.394 0.3 A 77 ASP H H 1 8.947 0.020 A 77 ASP HBx H 1 2.585 0.020 A 77 ASP HBy H 1 2.953 0.020 A 77 ASP C C 13 177.152 0.3 A 77 ASP CA C 13 52.822 0.3 A 77 ASP CB C 13 41.695 0.3 A 77 ASP N N 15 129.236 0.3 A 78 GLY H H 1 8.219 0.020 A 78 GLY HAx H 1 4.100 0.020 A 78 GLY HAy H 1 4.155 0.020 A 78 GLY C C 13 173.928 0.3 A 78 GLY CA C 13 44.623 0.3 A 78 GLY N N 15 127.244 0.3 A 79 TYR H H 1 8.563 0.020 A 79 TYR HBx H 1 2.953 0.020 A 79 TYR HBy H 1 3.133 0.020 A 79 TYR HDx H 1 6.944 0.020 A 79 TYR HDy H 1 6.963 0.020 A 79 TYR HEx H 1 6.709 0.020 A 79 TYR HEy H 1 6.729 0.020 A 79 TYR HH H 1 9.203 0.020 A 79 TYR C C 13 176.273 0.3 A 79 TYR CA C 13 58.678 0.3 A 79 TYR CB C 13 40.524 0.3 A 79 TYR CD1 C 13 132.611 0.3 A 79 TYR CD2 C 13 133.197 0.3 A 79 TYR CE1 C 13 116.494 0.3 A 79 TYR CE2 C 13 117.960 0.3 A 79 TYR CZ C 13 154.881 0.3 A 79 TYR N N 15 120.537 0.3 A 80 TYR H H 1 7.194 0.020 A 80 TYR HBx H 1 2.853 0.020 A 80 TYR HBy H 1 3.009 0.020 A 80 TYR HDx H 1 6.924 0.020 A 80 TYR HDy H 1 6.954 0.020 A 80 TYR HEx H 1 6.670 0.020 A 80 TYR HEy H 1 6.690 0.020 A 80 TYR HH H 1 9.213 0.020 A 80 TYR C C 13 175.979 0.3 A 80 TYR CA C 13 58.092 0.3 A 80 TYR CB C 13 38.181 0.3 A 80 TYR CD1 C 13 132.318 0.3 A 80 TYR CD2 C 13 133.197 0.3 A 80 TYR CE1 C 13 117.374 0.3 A 80 TYR CE2 C 13 118.253 0.3 A 80 TYR CZ C 13 155.467 0.3 A 80 TYR N N 15 115.822 0.3 A 81 ILE H H 1 8.837 0.020 A 81 ILE HD1% H 1 0.656 0.020 A 81 ILE HG1y H 1 1.272 0.020 A 81 ILE HG1x H 1 1.145 0.020 A 81 ILE HG2% H 1 0.976 0.020 A 81 ILE C C 13 177.445 0.3 A 81 ILE CA C 13 67.462 0.3 A 81 ILE CB C 13 41.109 0.3 A 81 ILE CD1 C 13 12.978 0.3 A 81 ILE CG1 C 13 27.044 0.3 A 81 ILE CG2 C 13 16.201 0.3 A 81 ILE N N 15 120.072 0.3 A 82 GLN H H 1 8.493 0.020 A 82 GLN HBx H 1 1.857 0.020 A 82 GLN HBy H 1 1.919 0.020 A 82 GLN HE21 H 1 7.276 0.020 A 82 GLN HE22 H 1 7.042 0.020 A 82 GLN HGx H 1 2.140 0.020 A 82 GLN HGy H 1 2.287 0.020 A 82 GLN C C 13 177.152 0.3 A 82 GLN CA C 13 56.336 0.3 A 82 GLN CB C 13 24.126 0.3 A 82 GLN N N 15 109.580 0.3 A 82 GLN NE2 N 15 112.934 0.3 A 83 ALA H H 1 6.306 0.020 A 83 ALA HB% H 1 1.163 0.020 A 83 ALA C C 13 175.979 0.3 A 83 ALA CA C 13 54.579 0.3 A 83 ALA CB C 13 16.513 0.3 A 83 ALA N N 15 109.713 0.3 A 84 GLN H H 1 11.169 0.020 A 84 GLN HBx H 1 1.909 0.020 A 84 GLN HBy H 1 1.987 0.020 A 84 GLN HE21 H 1 7.257 0.020 A 84 GLN HE22 H 1 7.051 0.020 A 84 GLN HGx H 1 2.089 0.020 A 84 GLN HGy H 1 2.143 0.020 A 84 GLN C C 13 175.686 0.3 A 84 GLN CA C 13 51.065 0.3 A 84 GLN CB C 13 32.325 0.3 A 84 GLN CD C 13 178.910 0.3 A 84 GLN N N 15 131.380 0.3 A 84 GLN NE2 N 15 119.230 0.3 A 85 CYS H H 1 8.602 0.020 A 85 CYS HBx H 1 3.108 0.020 A 85 CYS HBy H 1 3.163 0.020 A 85 CYS C C 13 173.049 0.3 A 85 CYS CA C 13 57.507 0.3 A 85 CYS CB C 13 35.253 0.3 A 85 CYS N N 15 124.322 0.3 A 86 ALA H H 1 6.897 0.020 A 86 ALA CA C 13 57.507 0.3 A 86 ALA CB C 13 21.784 0.3 A 86 ALA N N 15 114.295 0.3 A 87 ILE H H 1 8.282 0.020 A 87 ILE HD1% H 1 0.806 0.020 A 87 ILE HG1y H 1 1.262 0.020 A 87 ILE HG1x H 1 1.045 0.020 A 87 ILE HG2% H 1 0.970 0.020 A 87 ILE C C 13 173.928 0.3 A 87 ILE CA C 13 61.020 0.3 A 87 ILE CB C 13 39.938 0.3 A 87 ILE CD1 C 13 12.099 0.3 A 87 ILE CG1 C 13 25.871 0.3 A 87 ILE CG2 C 13 17.374 0.3 A 87 ILE N N 15 120.670 0.3 A 88 ILE H H 1 5.528 0.020 A 88 ILE HD1% H 1 0.703 0.020 A 88 ILE HG1x H 1 1.327 0.020 A 88 ILE HG1y H 1 1.327 0.020 A 88 ILE HG2% H 1 0.976 0.020 A 88 ILE C C 13 173.635 0.3 A 88 ILE CA C 13 64.534 0.3 A 88 ILE CB C 13 37.596 0.3 A 88 ILE CD1 C 13 12.099 0.3 A 88 ILE CG1 C 13 27.337 0.3 A 88 ILE CG2 C 13 17.081 0.3 A 88 ILE N N 15 120.205 0.3 A 89 MET H H 1 8.164 0.020 A 89 MET HBx H 1 2.056 0.020 A 89 MET HBy H 1 2.228 0.020 A 89 MET HGx H 1 2.571 0.020 A 89 MET HGy H 1 2.641 0.020 A 89 MET C C 13 176.566 0.3 A 89 MET CA C 13 56.921 0.3 A 89 MET CB C 13 34.668 0.3 A 89 MET N N 15 119.209 0.3 A 90 PHE H H 1 9.334 0.020 A 90 PHE HBx H 1 3.069 0.020 A 90 PHE HBy H 1 3.186 0.020 A 90 PHE HDx H 1 6.973 0.020 A 90 PHE HDy H 1 6.983 0.020 A 90 PHE HEx H 1 7.032 0.020 A 90 PHE HEy H 1 7.081 0.020 A 90 PHE HZ H 1 6.885 0.020 A 90 PHE C C 13 175.393 0.3 A 90 PHE CA C 13 60.435 0.3 A 90 PHE CB C 13 38.767 0.3 A 90 PHE CD1 C 13 130.267 0.3 A 90 PHE CD2 C 13 132.318 0.3 A 90 PHE CE1 C 13 128.216 0.3 A 90 PHE CE2 C 13 129.388 0.3 A 90 PHE CZ C 13 127.337 0.3 A 90 PHE N N 15 121.134 0.3 A 91 ASP H H 1 9.056 0.020 A 91 ASP HBx H 1 2.671 0.020 A 91 ASP HBy H 1 2.945 0.020 A 91 ASP C C 13 176.566 0.3 A 91 ASP CA C 13 52.822 0.3 A 91 ASP CB C 13 39.938 0.3 A 91 ASP N N 15 125.185 0.3 A 92 VAL H H 1 7.738 0.020 A 92 VAL HGx% H 1 0.774 0.020 A 92 VAL HGy% H 1 0.970 0.020 A 92 VAL C C 13 173.342 0.3 A 92 VAL CA C 13 64.534 0.3 A 92 VAL CB C 13 37.596 0.3 A 92 VAL CG1 C 13 20.597 0.3 A 92 VAL CG2 C 13 21.476 0.3 A 92 VAL N N 15 115.158 0.3 A 93 THR H H 1 7.269 0.020 A 93 THR HG1 H 1 5.761 0.020 A 93 THR HG2% H 1 1.186 0.020 A 93 THR C C 13 177.152 0.3 A 93 THR CA C 13 64.534 0.3 A 93 THR CB C 13 72.147 0.3 A 93 THR CG2 C 13 21.769 0.3 A 93 THR N N 15 112.302 0.3 A 94 SER H H 1 7.628 0.020 A 94 SER HBx H 1 3.624 0.020 A 94 SER HBy H 1 3.922 0.020 A 94 SER C C 13 163.965 0.3 A 94 SER CA C 13 59.849 0.3 A 94 SER CB C 13 62.192 0.3 A 94 SER N N 15 122.263 0.3 A 95 ARG H H 1 8.102 0.020 A 95 ARG HBx H 1 2.673 0.020 A 95 ARG HBy H 1 2.774 0.020 A 95 ARG HE H 1 7.501 0.020 A 95 ARG HH11 H 1 6.748 0.020 A 95 ARG HH12 H 1 6.719 0.020 A 95 ARG HH21 H 1 6.827 0.020 A 95 ARG HH22 H 1 6.934 0.020 A 95 ARG C C 13 176.273 0.3 A 95 ARG CA C 13 53.407 0.3 A 95 ARG CB C 13 31.154 0.3 A 95 ARG CZ C 13 158.984 0.3 A 95 ARG N N 15 113.099 0.3 A 95 ARG NE N 15 90.496 0.3 A 95 ARG NH1 N 15 77.483 0.3 A 95 ARG NH2 N 15 77.294 0.3 A 96 VAL H H 1 9.146 0.020 A 96 VAL HGx% H 1 0.991 0.020 A 96 VAL HGy% H 1 0.868 0.020 A 96 VAL C C 13 178.031 0.3 A 96 VAL CA C 13 68.634 0.3 A 96 VAL CB C 13 24.126 0.3 A 96 VAL CG1 C 13 20.304 0.3 A 96 VAL CG2 C 13 21.183 0.3 A 96 VAL N N 15 124.787 0.3 A 97 THR H H 1 7.984 0.020 A 97 THR HG1 H 1 5.477 0.020 A 97 THR HG2% H 1 1.249 0.020 A 97 THR C C 13 178.031 0.3 A 97 THR CA C 13 63.949 0.3 A 97 THR CB C 13 70.390 0.3 A 97 THR CG2 C 13 21.183 0.3 A 97 THR N N 15 111.970 0.3 A 98 TYR H H 1 7.605 0.020 A 98 TYR HBx H 1 2.853 0.020 A 98 TYR HBy H 1 2.978 0.020 A 98 TYR HDx H 1 6.885 0.020 A 98 TYR HDy H 1 6.905 0.020 A 98 TYR HEx H 1 6.690 0.020 A 98 TYR HEy H 1 6.709 0.020 A 98 TYR HH H 1 9.193 0.020 A 98 TYR C C 13 176.273 0.3 A 98 TYR CD1 C 13 131.146 0.3 A 98 TYR CD2 C 13 132.025 0.3 A 98 TYR CE1 C 13 117.081 0.3 A 98 TYR CE2 C 13 117.667 0.3 A 98 TYR CZ C 13 154.295 0.3 A 98 TYR N N 15 113.232 0.3 A 99 LYS H H 1 8.129 0.020 A 99 LYS HBx H 1 1.790 0.020 A 99 LYS HBy H 1 1.946 0.020 A 99 LYS HDx H 1 1.296 0.020 A 99 LYS HDy H 1 1.546 0.020 A 99 LYS HEx H 1 3.030 0.020 A 99 LYS HEy H 1 3.100 0.020 A 99 LYS HGx H 1 1.147 0.020 A 99 LYS HGy H 1 1.163 0.020 A 99 LYS HZ1 H 1 7.730 0.020 A 99 LYS HZ2 H 1 7.730 0.020 A 99 LYS HZ3 H 1 7.730 0.020 A 99 LYS C C 13 174.221 0.3 A 99 LYS CA C 13 59.264 0.3 A 99 LYS CB C 13 34.668 0.3 A 99 LYS N N 15 121.998 0.3 A 99 LYS NZ N 15 42.443 0.3 A 100 ASN H H 1 5.778 0.020 A 100 ASN HBx H 1 2.704 0.020 A 100 ASN HBy H 1 2.806 0.020 A 100 ASN HD21 H 1 7.179 0.020 A 100 ASN HD22 H 1 7.355 0.020 A 100 ASN C C 13 175.979 0.3 A 100 ASN CA C 13 53.407 0.3 A 100 ASN CB C 13 37.596 0.3 A 100 ASN N N 15 111.970 0.3 A 100 ASN ND2 N 15 115.732 0.3 A 101 VAL H H 1 7.370 0.020 A 101 VAL HGx% H 1 0.845 0.020 A 101 VAL HGy% H 1 0.962 0.020 A 101 VAL C C 13 173.635 0.3 A 101 VAL CA C 13 62.777 0.3 A 101 VAL CB C 13 27.054 0.3 A 101 VAL CG1 C 13 20.304 0.3 A 101 VAL CG2 C 13 20.890 0.3 A 101 VAL N N 15 118.877 0.3 A 102 PRO HBx H 1 2.112 0.020 A 102 PRO HBy H 1 2.261 0.020 A 102 PRO HDx H 1 3.532 0.020 A 102 PRO HDy H 1 3.688 0.020 A 102 PRO HGx H 1 1.859 0.020 A 102 PRO HGy H 1 1.939 0.020 A 102 PRO C C 13 176.566 0.3 A 102 PRO CA C 13 62.500 0.3 A 102 PRO CB C 13 30.853 0.3 A 102 PRO N N 15 117.084 0.3 A 103 ASN H H 1 7.879 0.020 A 103 ASN HBx H 1 2.609 0.020 A 103 ASN HBy H 1 2.663 0.020 A 103 ASN HD21 H 1 7.091 0.020 A 103 ASN HD22 H 1 7.394 0.020 A 103 ASN C C 13 175.100 0.3 A 103 ASN CA C 13 54.579 0.3 A 103 ASN CB C 13 38.767 0.3 A 103 ASN N N 15 122.728 0.3 A 103 ASN ND2 N 15 117.112 0.3 A 104 TRP H H 1 9.541 0.020 A 104 TRP HB2 H 1 3.210 0.020 A 104 TRP HB3 H 1 3.210 0.020 A 104 TRP HD1 H 1 7.149 0.020 A 104 TRP HE1 H 1 10.085 0.020 A 104 TRP HE3 H 1 7.286 0.020 A 104 TRP HH2 H 1 6.944 0.020 A 104 TRP HZ2 H 1 7.273 0.020 A 104 TRP HZ3 H 1 6.846 0.020 A 104 TRP C C 13 176.273 0.3 A 104 TRP CA C 13 60.435 0.3 A 104 TRP CB C 13 29.983 0.3 A 104 TRP N N 15 132.158 0.3 A 104 TRP NE1 N 15 129.333 0.3 A 105 HIS H H 1 6.971 0.020 A 105 HIS HBx H 1 3.045 0.020 A 105 HIS HBy H 1 3.139 0.020 A 105 HIS HD1 H 1 10.396 0.020 A 105 HIS HD2 H 1 7.188 0.020 A 105 HIS HE1 H 1 7.814 0.020 A 105 HIS HE2 H 1 11.112 0.020 A 105 HIS C C 13 177.738 0.3 A 105 HIS CD2 C 13 115.029 0.3 A 105 HIS CE1 C 13 139.644 0.3 A 105 HIS N N 15 120.869 0.3 A 105 HIS ND1 N 15 192.113 0.3 A 105 HIS NE2 N 15 179.221 0.3 A 106 ARG H H 1 7.507 0.020 A 106 ARG HBx H 1 1.836 0.020 A 106 ARG HBy H 1 1.984 0.020 A 106 ARG HDx H 1 3.069 0.020 A 106 ARG HDy H 1 3.235 0.020 A 106 ARG HGx H 1 1.382 0.020 A 106 ARG HGy H 1 1.460 0.020 A 106 ARG HH11 H 1 6.797 0.020 A 106 ARG HH12 H 1 6.729 0.020 A 106 ARG HH21 H 1 6.866 0.020 A 106 ARG HH22 H 1 6.905 0.020 A 106 ARG C C 13 176.566 0.3 A 106 ARG CA C 13 62.777 0.3 A 106 ARG CB C 13 29.397 0.3 A 106 ARG CZ C 13 159.863 0.3 A 106 ARG N N 15 126.314 0.3 A 106 ARG NE N 15 89.393 0.3 A 106 ARG NH1 N 15 79.729 0.3 A 106 ARG NH2 N 15 79.294 0.3 A 107 ASP H H 1 9.076 0.020 A 107 ASP HBx H 1 2.538 0.020 A 107 ASP HBy H 1 2.687 0.020 A 107 ASP C C 13 176.566 0.3 A 107 ASP CA C 13 55.164 0.3 A 107 ASP CB C 13 41.695 0.3 A 107 ASP N N 15 119.076 0.3 A 108 LEU H H 1 6.725 0.020 A 108 LEU HBx H 1 1.444 0.020 A 108 LEU HBy H 1 1.585 0.020 A 108 LEU HDx% H 1 0.820 0.020 A 108 LEU HDy% H 1 0.890 0.020 A 108 LEU C C 13 176.273 0.3 A 108 LEU CA C 13 59.264 0.3 A 108 LEU CB C 13 48.722 0.3 A 108 LEU CD1 C 13 24.113 0.3 A 108 LEU CD2 C 13 24.992 0.3 A 108 LEU N N 15 113.299 0.3 A 109 VAL H H 1 8.763 0.020 A 109 VAL HGx% H 1 0.820 0.020 A 109 VAL HGy% H 1 0.976 0.020 A 109 VAL C C 13 175.393 0.3 A 109 VAL CA C 13 63.949 0.3 A 109 VAL CB C 13 32.911 0.3 A 109 VAL CG1 C 13 22.355 0.3 A 109 VAL CG2 C 13 22.941 0.3 A 109 VAL N N 15 121.267 0.3 A 110 ARG H H 1 7.241 0.020 A 110 ARG HBx H 1 1.687 0.020 A 110 ARG HBy H 1 1.742 0.020 A 110 ARG HDx H 1 3.038 0.020 A 110 ARG HDy H 1 3.085 0.020 A 110 ARG HE H 1 7.492 0.020 A 110 ARG HGx H 1 1.444 0.020 A 110 ARG HGy H 1 1.577 0.020 A 110 ARG HH11 H 1 6.719 0.020 A 110 ARG HH12 H 1 6.748 0.020 A 110 ARG HH21 H 1 6.885 0.020 A 110 ARG HH22 H 1 6.827 0.020 A 110 ARG C C 13 176.273 0.3 A 110 ARG CA C 13 57.507 0.3 A 110 ARG CB C 13 30.568 0.3 A 110 ARG CZ C 13 158.984 0.3 A 110 ARG N N 15 112.900 0.3 A 110 ARG NE N 15 94.021 0.3 A 110 ARG NH1 N 15 80.302 0.3 A 110 ARG NH2 N 15 80.394 0.3 A 111 VAL H H 1 7.566 0.020 A 111 VAL HGx% H 1 0.742 0.020 A 111 VAL HGy% H 1 0.890 0.020 A 111 VAL C C 13 177.445 0.3 A 111 VAL CA C 13 59.849 0.3 A 111 VAL CB C 13 32.911 0.3 A 111 VAL CG1 C 13 20.011 0.3 A 111 VAL CG2 C 13 20.890 0.3 A 111 VAL N N 15 115.556 0.3 A 112 CYS H H 1 7.425 0.020 A 112 CYS HBx H 1 3.030 0.020 A 112 CYS HBy H 1 3.077 0.020 A 112 CYS C C 13 169.826 0.3 A 112 CYS CA C 13 57.507 0.3 A 112 CYS CB C 13 35.839 0.3 A 112 CYS N N 15 114.295 0.3 A 113 GLU H H 1 7.241 0.020 A 113 GLU HBx H 1 1.862 0.020 A 113 GLU HBy H 1 1.924 0.020 A 113 GLU HGx H 1 2.095 0.020 A 113 GLU HGy H 1 2.197 0.020 A 113 GLU C C 13 176.566 0.3 A 113 GLU CA C 13 69.219 0.3 A 113 GLU CB C 13 30.568 0.3 A 113 GLU N N 15 116.486 0.3 A 114 ASN H H 1 8.919 0.020 A 114 ASN HBy H 1 2.650 0.020 A 114 ASN HBx H 1 2.640 0.020 A 114 ASN HD21 H 1 7.188 0.020 A 114 ASN HD22 H 1 7.355 0.020 A 114 ASN C C 13 175.100 0.3 A 114 ASN CA C 13 52.236 0.3 A 114 ASN CB C 13 39.938 0.3 A 114 ASN N N 15 129.302 0.3 A 114 ASN ND2 N 15 1114.29 0.3 A 115 ILE H H 1 9.287 0.020 A 115 ILE HD1% H 1 0.491 0.020 A 115 ILE HG1y H 1 1.225 0.020 A 115 ILE HG1x H 1 1.077 0.020 A 115 ILE HG2% H 1 0.695 0.020 A 115 ILE C C 13 175.100 0.3 A 115 ILE CA C 13 65.705 0.3 A 115 ILE CB C 13 39.353 0.3 A 115 ILE CD1 C 13 13.564 0.3 A 115 ILE CG1 C 13 27.044 0.3 A 115 ILE CG2 C 13 17.374 0.3 A 115 ILE N N 15 110.443 0.3 A 116 PRO HBx H 1 2.194 0.020 A 116 PRO HBy H 1 2.264 0.020 A 116 PRO HDx H 1 3.515 0.020 A 116 PRO HDy H 1 3.609 0.020 A 116 PRO HGx H 1 1.843 0.020 A 116 PRO HGy H 1 2.061 0.020 A 116 PRO C C 13 175.979 0.3 A 116 PRO CA C 13 63.086 0.3 A 116 PRO CB C 13 29.681 0.3 A 116 PRO N N 15 117.548 0.3 A 117 ILE H H 1 7.781 0.020 A 117 ILE HD1% H 1 0.876 0.020 A 117 ILE HG1y H 1 1.272 0.020 A 117 ILE HG1x H 1 1.193 0.020 A 117 ILE HG2% H 1 0.962 0.020 A 117 ILE C C 13 174.807 0.3 A 117 ILE CA C 13 66.291 0.3 A 117 ILE CB C 13 38.767 0.3 A 117 ILE CD1 C 13 12.978 0.3 A 117 ILE CG1 C 13 27.630 0.3 A 117 ILE CG2 C 13 18.253 0.3 A 117 ILE N N 15 123.591 0.3 A 118 VAL H H 1 8.767 0.020 A 118 VAL HGx% H 1 0.917 0.020 A 118 VAL HGy% H 1 0.948 0.020 A 118 VAL C C 13 178.324 0.3 A 118 VAL CA C 13 62.777 0.3 A 118 VAL CB C 13 31.154 0.3 A 118 VAL CG1 C 13 20.597 0.3 A 118 VAL CG2 C 13 22.355 0.3 A 118 VAL N N 15 119.009 0.3 A 119 LEU H H 1 7.734 0.020 A 119 LEU HBx H 1 1.516 0.020 A 119 LEU HBy H 1 1.624 0.020 A 119 LEU HDx% H 1 0.790 0.020 A 119 LEU HDy% H 1 0.853 0.020 A 119 LEU C C 13 178.031 0.3 A 119 LEU CA C 13 42.866 0.3 A 119 LEU CB C 13 38.767 0.3 A 119 LEU CD1 C 13 23.234 0.3 A 119 LEU CD2 C 13 23.820 0.3 A 119 LEU N N 15 119.408 0.3 A 120 CYS H H 1 8.317 0.020 A 120 CYS HBx H 1 3.077 0.020 A 120 CYS HBy H 1 3.225 0.020 A 120 CYS C C 13 178.031 0.3 A 120 CYS N N 15 113.232 0.3 A 121 GLY H H 1 7.515 0.020 A 121 GLY HAx H 1 3.906 0.020 A 121 GLY HAy H 1 4.156 0.020 A 121 GLY C C 13 176.851 0.3 A 121 GLY CA C 13 41.109 0.3 A 121 GLY N N 15 117.349 0.3 A 122 ASN H H 1 9.162 0.020 A 122 ASN HBx H 1 2.883 0.020 A 122 ASN HBy H 1 2.945 0.020 A 122 ASN HD21 H 1 7.130 0.020 A 122 ASN HD22 H 1 7.404 0.020 A 122 ASN C C 13 175.686 0.3 A 122 ASN CA C 13 50.479 0.3 A 122 ASN CB C 13 39.353 0.3 A 122 ASN N N 15 125.318 0.3 A 122 ASN ND2 N 15 111.644 0.3 A 123 LYS H H 1 8.086 0.020 A 123 LYS HBx H 1 1.742 0.020 A 123 LYS HBy H 1 1.991 0.020 A 123 LYS HDx H 1 1.507 0.020 A 123 LYS HDy H 1 1.656 0.020 A 123 LYS HEx H 1 3.016 0.020 A 123 LYS HEy H 1 3.195 0.020 A 123 LYS HGx H 1 1.124 0.020 A 123 LYS HGy H 1 1.452 0.020 A 123 LYS HZ1 H 1 7.306 0.020 A 123 LYS HZ2 H 1 7.306 0.020 A 123 LYS HZ3 H 1 7.306 0.020 A 123 LYS C C 13 176.566 0.3 A 123 LYS CA C 13 70.976 0.3 A 123 LYS CB C 13 35.253 0.3 A 123 LYS N N 15 124.920 0.3 A 123 LYS NZ N 15 49.293 0.3 A 124 VAL H H 1 9.483 0.020 A 124 VAL HGx% H 1 0.895 0.020 A 124 VAL HGy% H 1 0.937 0.020 A 124 VAL C C 13 177.738 0.3 A 124 VAL CA C 13 62.777 0.3 A 124 VAL CB C 13 33.496 0.3 A 124 VAL CG1 C 13 22.062 0.3 A 124 VAL CG2 C 13 22.941 0.3 A 124 VAL N N 15 125.517 0.3 A 125 ASP H H 1 7.875 0.020 A 125 ASP HBx H 1 2.792 0.020 A 125 ASP HBy H 1 2.901 0.020 A 125 ASP C C 13 176.566 0.3 A 125 ASP CA C 13 55.750 0.3 A 125 ASP CB C 13 40.524 0.3 A 125 ASP N N 15 119.607 0.3 A 126 ILE H H 1 7.511 0.020 A 126 ILE HD1% H 1 0.609 0.020 A 126 ILE HG1y H 1 1.252 0.020 A 126 ILE HG1x H 1 1.193 0.020 A 126 ILE HG2% H 1 0.888 0.020 A 126 ILE C C 13 177.152 0.3 A 126 ILE CA C 13 66.291 0.3 A 126 ILE CB C 13 39.353 0.3 A 126 ILE CD1 C 13 13.564 0.3 A 126 ILE CG1 C 13 26.457 0.3 A 126 ILE CG2 C 13 16.787 0.3 A 126 ILE N N 15 116.088 0.3 A 127 LYS H H 1 8.059 0.020 A 127 LYS HBx H 1 1.976 0.020 A 127 LYS HBy H 1 2.016 0.020 A 127 LYS HDx H 1 1.515 0.020 A 127 LYS HDy H 1 1.703 0.020 A 127 LYS HEx H 1 2.812 0.020 A 127 LYS HEy H 1 2.953 0.020 A 127 LYS HGx H 1 1.264 0.020 A 127 LYS HGy H 1 1.452 0.020 A 127 LYS HZ1 H 1 7.511 0.020 A 127 LYS HZ2 H 1 7.511 0.020 A 127 LYS HZ3 H 1 7.511 0.020 A 127 LYS C C 13 177.152 0.3 A 127 LYS CA C 13 57.507 0.3 A 127 LYS CB C 13 31.154 0.3 A 127 LYS N N 15 117.681 0.3 A 127 LYS NZ N 15 47.334 0.3 A 128 ASP H H 1 7.241 0.020 A 128 ASP HBx H 1 2.829 0.020 A 128 ASP HBy H 1 2.884 0.020 A 128 ASP C C 13 176.566 0.3 A 128 ASP CA C 13 53.407 0.3 A 128 ASP CB C 13 40.524 0.3 A 128 ASP N N 15 118.279 0.3 A 129 ARG H H 1 8.423 0.020 A 129 ARG HBx H 1 1.649 0.020 A 129 ARG HBy H 1 1.837 0.020 A 129 ARG HDx H 1 3.077 0.020 A 129 ARG HDy H 1 3.139 0.020 A 129 ARG HGx H 1 1.274 0.020 A 129 ARG HGy H 1 1.477 0.020 A 129 ARG HH11 H 1 6.846 0.020 A 129 ARG HH12 H 1 6.797 0.020 A 129 ARG HH21 H 1 6.885 0.020 A 129 ARG HH22 H 1 6.905 0.020 A 129 ARG C C 13 177.738 0.3 A 129 ARG CA C 13 45.794 0.3 A 129 ARG CB C 13 31.154 0.3 A 129 ARG CZ C 13 162.793 0.3 A 129 ARG N N 15 118.943 0.3 A 129 ARG NE N 15 92.393 0.3 A 129 ARG NH1 N 15 80.284 0.3 A 129 ARG NH2 N 15 80.393 0.3 A 130 LYS H H 1 7.296 0.020 A 130 LYS HBx H 1 1.735 0.020 A 130 LYS HBy H 1 1.900 0.020 A 130 LYS HDx H 1 1.416 0.020 A 130 LYS HDy H 1 1.557 0.020 A 130 LYS HEx H 1 2.838 0.020 A 130 LYS HEy H 1 2.956 0.020 A 130 LYS HGx H 1 1.141 0.020 A 130 LYS HGy H 1 1.258 0.020 A 130 LYS HZ1 H 1 7.668 0.020 A 130 LYS HZ2 H 1 7.668 0.020 A 130 LYS HZ3 H 1 7.668 0.020 A 130 LYS C C 13 176.566 0.3 A 130 LYS CA C 13 55.164 0.3 A 130 LYS CB C 13 36.424 0.3 A 130 LYS N N 15 109.381 0.3 A 130 LYS NZ N 15 42.394 0.3 A 131 VAL H H 1 9.283 0.020 A 131 VAL HGx% H 1 0.804 0.020 A 131 VAL HGy% H 1 0.953 0.020 A 131 VAL C C 13 178.617 0.3 A 131 VAL CA C 13 65.705 0.3 A 131 VAL CB C 13 35.839 0.3 A 131 VAL CG1 C 13 20.304 0.3 A 131 VAL CG2 C 13 21.769 0.3 A 131 VAL N N 15 110.377 0.3 A 132 LYS H H 1 9.709 0.020 A 132 LYS HBx H 1 1.687 0.020 A 132 LYS HBy H 1 1.890 0.020 A 132 LYS HDx H 1 1.319 0.020 A 132 LYS HDy H 1 1.382 0.020 A 132 LYS HEx H 1 3.053 0.020 A 132 LYS HEy H 1 3.100 0.020 A 132 LYS HGx H 1 1.155 0.020 A 132 LYS HGy H 1 1.258 0.020 A 132 LYS HZ1 H 1 7.228 0.020 A 132 LYS HZ2 H 1 7.228 0.020 A 132 LYS HZ3 H 1 7.228 0.020 A 132 LYS C C 13 176.273 0.3 A 132 LYS CA C 13 59.849 0.3 A 132 LYS CB C 13 35.253 0.3 A 132 LYS N N 15 110.310 0.3 A 132 LYS NZ N 15 49.592 0.3 A 133 ALA H H 1 6.322 0.020 A 133 ALA HB% H 1 1.335 0.020 A 133 ALA CA C 13 51.065 0.3 A 133 ALA CB C 13 12.999 0.3 A 133 ALA N N 15 134.349 0.3 A 134 LYS H H 1 6.549 0.020 A 134 LYS HBx H 1 1.828 0.020 A 134 LYS HBy H 1 2.000 0.020 A 134 LYS HDx H 1 1.343 0.020 A 134 LYS HDy H 1 1.648 0.020 A 134 LYS HEx H 1 2.892 0.020 A 134 LYS HEy H 1 2.931 0.020 A 134 LYS HGx H 1 1.233 0.020 A 134 LYS HGy H 1 1.288 0.020 A 134 LYS HZ1 H 1 7.404 0.020 A 134 LYS HZ2 H 1 7.404 0.020 A 134 LYS HZ3 H 1 7.404 0.020 A 134 LYS C C 13 176.859 0.3 A 134 LYS CA C 13 55.750 0.3 A 134 LYS CB C 13 54.579 0.3 A 134 LYS N N 15 117.615 0.3 A 134 LYS NZ N 15 49.302 0.3 A 135 SER H H 1 7.840 0.020 A 135 SER HBx H 1 3.845 0.020 A 135 SER HBy H 1 3.868 0.020 A 135 SER C C 13 173.635 0.3 A 135 SER CA C 13 56.336 0.3 A 135 SER CB C 13 63.949 0.3 A 135 SER N N 15 109.314 0.3 A 136 ILE H H 1 8.098 0.020 A 136 ILE HD1% H 1 0.682 0.020 A 136 ILE HG1y H 1 1.262 0.020 A 136 ILE HG1x H 1 1.184 0.020 A 136 ILE HG2% H 1 0.979 0.020 A 136 ILE C C 13 175.100 0.3 A 136 ILE CA C 13 68.634 0.3 A 136 ILE CB C 13 43.452 0.3 A 136 ILE CD1 C 13 14.443 0.3 A 136 ILE CG1 C 13 27.044 0.3 A 136 ILE CG2 C 13 17.667 0.3 A 136 ILE N N 15 124.123 0.3 A 137 VAL H H 1 7.711 0.020 A 137 VAL HGx% H 1 0.774 0.020 A 137 VAL HGy% H 1 0.829 0.020 A 137 VAL C C 13 176.859 0.3 A 137 VAL CA C 13 64.534 0.3 A 137 VAL CB C 13 34.082 0.3 A 137 VAL CG1 C 13 20.011 0.3 A 137 VAL CG2 C 13 20.890 0.3 A 137 VAL N N 15 113.232 0.3 A 138 PHE H H 1 8.317 0.020 A 138 PHE HBx H 1 3.038 0.020 A 138 PHE HBy H 1 3.085 0.020 A 138 PHE HDy H 1 7.071 0.020 A 138 PHE HDx H 1 7.022 0.020 A 138 PHE HEy H 1 7.169 0.020 A 138 PHE HEx H 1 7.100 0.020 A 138 PHE HZ H 1 6.973 0.020 A 138 PHE C C 13 175.393 0.3 A 138 PHE CA C 13 58.092 0.3 A 138 PHE CB C 13 39.353 0.3 A 138 PHE CD1 C 13 133.490 0.3 A 138 PHE CD2 C 13 132.318 0.3 A 138 PHE CE1 C 13 131.732 0.3 A 138 PHE CE2 C 13 130.853 0.3 A 138 PHE CZ C 13 128.802 0.3 A 138 PHE N N 15 118.279 0.3 A 139 HIS H H 1 8.016 0.020 A 139 HIS HBx H 1 3.195 0.020 A 139 HIS HBy H 1 3.297 0.020 A 139 HIS HD1 H 1 10.687 0.020 A 139 HIS HD2 H 1 7.409 0.020 A 139 HIS HE1 H 1 7.996 0.020 A 139 HIS HE2 H 1 11.493 0.020 A 139 HIS C C 13 175.979 0.3 A 139 HIS CA C 13 53.993 0.3 A 139 HIS CB C 13 28.811 0.3 A 139 HIS CD2 C 13 116.494 0.3 A 139 HIS CE1 C 13 131.146 0.3 A 139 HIS N N 15 107.654 0.3 A 139 HIS ND1 N 15 204.849 0.3 A 139 HIS NE2 N 15 189.303 0.3 A 140 ARG H H 1 8.763 0.020 A 140 ARG HBx H 1 1.836 0.020 A 140 ARG HBy H 1 1.976 0.020 A 140 ARG HDx H 1 3.061 0.020 A 140 ARG HDy H 1 3.108 0.020 A 140 ARG HE H 1 7.462 0.020 A 140 ARG HGx H 1 1.327 0.020 A 140 ARG HGy H 1 1.671 0.020 A 140 ARG HH11 H 1 6.778 0.020 A 140 ARG HH12 H 1 6.739 0.020 A 140 ARG HH21 H 1 6.885 0.020 A 140 ARG HH22 H 1 6.963 0.020 A 140 ARG C C 13 176.859 0.3 A 140 ARG CA C 13 57.507 0.3 A 140 ARG CB C 13 31.739 0.3 A 140 ARG CZ C 13 160.742 0.3 A 140 ARG N N 15 117.084 0.3 A 140 ARG NE N 15 90.294 0.3 A 140 ARG NH1 N 15 78.484 0.3 A 140 ARG NH2 N 15 78.393 0.3 A 141 LYS H H 1 7.449 0.020 A 141 LYS HBx H 1 1.735 0.020 A 141 LYS HBy H 1 1.807 0.020 A 141 LYS HDx H 1 1.538 0.020 A 141 LYS HDy H 1 1.625 0.020 A 141 LYS HEx H 1 2.834 0.020 A 141 LYS HEy H 1 2.968 0.020 A 141 LYS HGx H 1 1.311 0.020 A 141 LYS HGy H 1 1.515 0.020 A 141 LYS HZ1 H 1 7.306 0.020 A 141 LYS HZ2 H 1 7.306 0.020 A 141 LYS HZ3 H 1 7.306 0.020 A 141 LYS C C 13 173.635 0.3 A 141 LYS CA C 13 58.092 0.3 A 141 LYS CB C 13 33.496 0.3 A 141 LYS N N 15 115.623 0.3 A 141 LYS NZ N 15 49.238 0.3 A 142 LYS H H 1 8.982 0.020 A 142 LYS HBx H 1 1.679 0.020 A 142 LYS HBy H 1 1.922 0.020 A 142 LYS HDx H 1 1.523 0.020 A 142 LYS HDy H 1 1.570 0.020 A 142 LYS HEx H 1 2.991 0.020 A 142 LYS HEy H 1 3.092 0.020 A 142 LYS HGx H 1 1.233 0.020 A 142 LYS HGy H 1 1.351 0.020 A 142 LYS HZ1 H 1 7.355 0.020 A 142 LYS HZ2 H 1 7.355 0.020 A 142 LYS HZ3 H 1 7.355 0.020 A 142 LYS C C 13 175.979 0.3 A 142 LYS CA C 13 51.065 0.3 A 142 LYS CB C 13 34.668 0.3 A 142 LYS N N 15 114.162 0.3 A 142 LYS NZ N 15 49.223 0.3 A 143 ASN H H 1 7.402 0.020 A 143 ASN HBx H 1 2.870 0.020 A 143 ASN HBy H 1 2.932 0.020 A 143 ASN HD21 H 1 7.140 0.020 A 143 ASN HD22 H 1 7.384 0.020 A 143 ASN C C 13 175.100 0.3 A 143 ASN CA C 13 53.407 0.3 A 143 ASN CB C 13 39.938 0.3 A 143 ASN N N 15 112.103 0.3 A 143 ASN ND2 N 15 129.293 0.3 A 144 LEU H H 1 7.793 0.020 A 144 LEU HBx H 1 1.632 0.020 A 144 LEU HBy H 1 1.986 0.020 A 144 LEU HDx% H 1 0.635 0.020 A 144 LEU HDy% H 1 0.713 0.020 A 144 LEU CA C 13 53.993 0.3 A 144 LEU CB C 13 42.866 0.3 A 144 LEU CD1 C 13 25.285 0.3 A 144 LEU CD2 C 13 25.871 0.3 A 144 LEU N N 15 118.810 0.3 A 145 GLN H H 1 7.014 0.020 A 145 GLN HBx H 1 1.884 0.020 A 145 GLN HBy H 1 2.001 0.020 A 145 GLN HE21 H 1 7.345 0.020 A 145 GLN HE22 H 1 6.797 0.020 A 145 GLN HGx H 1 2.183 0.020 A 145 GLN HGy H 1 2.214 0.020 A 145 GLN C C 13 176.859 0.3 A 145 GLN CA C 13 55.164 0.3 A 145 GLN CB C 13 29.983 0.3 A 145 GLN N N 15 119.607 0.3 A 145 GLN NE2 N 15 111.029 0.3 A 146 TYR H H 1 9.350 0.020 A 146 TYR HBx H 1 3.000 0.020 A 146 TYR HBy H 1 3.053 0.020 A 146 TYR HDx H 1 6.866 0.020 A 146 TYR HDy H 1 6.963 0.020 A 146 TYR HEx H 1 6.690 0.020 A 146 TYR HEy H 1 6.709 0.020 A 146 TYR HH H 1 9.213 0.020 A 146 TYR C C 13 174.807 0.3 A 146 TYR CA C 13 62.777 0.3 A 146 TYR CB C 13 41.109 0.3 A 146 TYR CD1 C 13 132.025 0.3 A 146 TYR CD2 C 13 132.904 0.3 A 146 TYR CE1 C 13 118.253 0.3 A 146 TYR CE2 C 13 118.839 0.3 A 146 TYR CZ C 13 154.881 0.3 A 146 TYR N N 15 119.275 0.3 A 147 TYR H H 1 8.340 0.020 A 147 TYR HBx H 1 2.860 0.020 A 147 TYR HBy H 1 2.907 0.020 A 147 TYR HDx H 1 6.934 0.020 A 147 TYR HDy H 1 6.954 0.020 A 147 TYR HEx H 1 6.690 0.020 A 147 TYR HEy H 1 6.709 0.020 A 147 TYR HH H 1 9.291 0.020 A 147 TYR C C 13 177.738 0.3 A 147 TYR CA C 13 58.092 0.3 A 147 TYR CB C 13 39.938 0.3 A 147 TYR CD1 C 13 132.904 0.3 A 147 TYR CD2 C 13 130.267 0.3 A 147 TYR CE1 C 13 116.494 0.3 A 147 TYR CE2 C 13 117.667 0.3 A 147 TYR CZ C 13 154.588 0.3 A 147 TYR N N 15 123.658 0.3 A 148 ASP H H 1 8.911 0.020 A 148 ASP HBx H 1 2.624 0.020 A 148 ASP HBy H 1 2.820 0.020 A 148 ASP C C 13 176.859 0.3 A 148 ASP CA C 13 54.579 0.3 A 148 ASP CB C 13 41.109 0.3 A 148 ASP N N 15 121.267 0.3 A 149 ILE H H 1 8.712 0.020 A 149 ILE HD1% H 1 0.767 0.020 A 149 ILE HG1x H 1 1.202 0.020 A 149 ILE HG1y H 1 1.202 0.020 A 149 ILE HG2% H 1 0.884 0.020 A 149 ILE C C 13 174.807 0.3 A 149 ILE CA C 13 61.020 0.3 A 149 ILE CB C 13 39.353 0.3 A 149 ILE CD1 C 13 12.978 0.3 A 149 ILE CG1 C 13 27.337 0.3 A 149 ILE CG2 C 13 16.494 0.3 A 149 ILE N N 15 119.607 0.3 A 150 SER H H 1 8.454 0.020 A 150 SER HBx H 1 3.696 0.020 A 150 SER HBy H 1 3.946 0.020 A 150 SER C C 13 175.686 0.3 A 150 SER CA C 13 60.435 0.3 A 150 SER CB C 13 62.192 0.3 A 150 SER N N 15 117.349 0.3 A 151 ALA H H 1 10.640 0.020 A 151 ALA HB% H 1 1.200 0.020 A 151 ALA C C 13 160.742 0.3 A 151 ALA CA C 13 53.993 0.3 A 151 ALA CB C 13 22.369 0.3 A 151 ALA N N 15 131.162 0.3 A 152 LYS H H 1 9.099 0.020 A 152 LYS HBx H 1 1.945 0.020 A 152 LYS HBy H 1 1.969 0.020 A 152 LYS HDx H 1 1.344 0.020 A 152 LYS HDy H 1 1.430 0.020 A 152 LYS HEx H 1 3.163 0.020 A 152 LYS HEy H 1 3.186 0.020 A 152 LYS HGx H 1 1.274 0.020 A 152 LYS HGy H 1 1.289 0.020 A 152 LYS HZ1 H 1 7.462 0.020 A 152 LYS HZ2 H 1 7.462 0.020 A 152 LYS HZ3 H 1 7.462 0.020 A 152 LYS C C 13 174.221 0.3 A 152 LYS CA C 13 59.849 0.3 A 152 LYS CB C 13 34.668 0.3 A 152 LYS N N 15 121.400 0.3 A 152 LYS NZ N 15 49.220 0.3 A 153 SER H H 1 8.935 0.020 A 153 SER HB2 H 1 4.155 0.020 A 153 SER HB3 H 1 4.155 0.020 A 153 SER C C 13 177.152 0.3 A 153 SER CA C 13 62.192 0.3 A 153 SER CB C 13 66.291 0.3 A 153 SER N N 15 115.212 0.3 A 154 ASN H H 1 7.488 0.020 A 154 ASN HBx H 1 2.859 0.020 A 154 ASN HBy H 1 2.929 0.020 A 154 ASN HD21 H 1 7.071 0.020 A 154 ASN HD22 H 1 7.384 0.020 A 154 ASN C C 13 175.979 0.3 A 154 ASN CA C 13 49.894 0.3 A 154 ASN CB C 13 39.353 0.3 A 154 ASN N N 15 119.341 0.3 A 154 ASN ND2 N 15 125.213 0.3 A 155 TYR H H 1 6.486 0.020 A 155 TYR HBx H 1 2.999 0.020 A 155 TYR HBy H 1 3.030 0.020 A 155 TYR HDx H 1 6.885 0.020 A 155 TYR HDy H 1 6.905 0.020 A 155 TYR HEx H 1 6.660 0.020 A 155 TYR HEy H 1 6.699 0.020 A 155 TYR HH H 1 9.183 0.020 A 155 TYR C C 13 173.928 0.3 A 155 TYR CA C 13 56.336 0.3 A 155 TYR CB C 13 37.596 0.3 A 155 TYR CD1 C 13 131.732 0.3 A 155 TYR CD2 C 13 132.904 0.3 A 155 TYR CE1 C 13 117.081 0.3 A 155 TYR CE2 C 13 117.667 0.3 A 155 TYR CZ C 13 155.467 0.3 A 155 TYR N N 15 113.498 0.3 A 156 ASN H H 1 8.352 0.020 A 156 ASN HBx H 1 2.991 0.020 A 156 ASN HBy H 1 3.014 0.020 A 156 ASN HD21 H 1 6.993 0.020 A 156 ASN HD22 H 1 7.433 0.020 A 156 ASN C C 13 175.979 0.3 A 156 ASN CA C 13 51.651 0.3 A 156 ASN CB C 13 38.767 0.3 A 156 ASN N N 15 122.396 0.3 A 156 ASN ND2 N 15 119.992 0.3 A 157 PHE H H 1 7.429 0.020 A 157 PHE HBx H 1 3.186 0.020 A 157 PHE HBy H 1 3.280 0.020 A 157 PHE HDy H 1 7.091 0.020 A 157 PHE HDx H 1 7.022 0.020 A 157 PHE HEy H 1 7.188 0.020 A 157 PHE HEx H 1 7.159 0.020 A 157 PHE HZ H 1 6.807 0.020 A 157 PHE C C 13 174.221 0.3 A 157 PHE CA C 13 57.507 0.3 A 157 PHE CB C 13 39.353 0.3 A 157 PHE CD1 C 13 133.783 0.3 A 157 PHE CD2 C 13 133.197 0.3 A 157 PHE CE1 C 13 131.732 0.3 A 157 PHE CE2 C 13 130.267 0.3 A 157 PHE CZ C 13 129.681 0.3 A 157 PHE N N 15 123.459 0.3 A 158 GLU H H 1 7.495 0.020 A 158 GLU HBx H 1 1.744 0.020 A 158 GLU HBy H 1 1.870 0.020 A 158 GLU HGx H 1 2.061 0.020 A 158 GLU HGy H 1 2.202 0.020 A 158 GLU C C 13 176.566 0.3 A 158 GLU CA C 13 72.147 0.3 A 158 GLU CB C 13 27.640 0.3 A 158 GLU N N 15 112.568 0.3 A 159 LYS H H 1 6.862 0.020 A 159 LYS HBx H 1 1.790 0.020 A 159 LYS HBy H 1 1.892 0.020 A 159 LYS HDx H 1 1.422 0.020 A 159 LYS HDy H 1 1.555 0.020 A 159 LYS HEx H 1 2.906 0.020 A 159 LYS HEy H 1 2.976 0.020 A 159 LYS HGx H 1 1.180 0.020 A 159 LYS HGy H 1 1.258 0.020 A 159 LYS HZ1 H 1 7.364 0.020 A 159 LYS HZ2 H 1 7.364 0.020 A 159 LYS HZ3 H 1 7.364 0.020 A 159 LYS C C 13 176.566 0.3 A 159 LYS CA C 13 53.993 0.3 A 159 LYS CB C 13 33.496 0.3 A 159 LYS N N 15 113.232 0.3 A 159 LYS NZ N 15 42.592 0.3 A 160 PRO HBx H 1 2.085 0.020 A 160 PRO HBy H 1 2.227 0.020 A 160 PRO HDx H 1 3.641 0.020 A 160 PRO HDy H 1 3.892 0.020 A 160 PRO HGx H 1 1.774 0.020 A 160 PRO HGy H 1 1.817 0.020 A 160 PRO C C 13 176.273 0.3 A 160 PRO CA C 13 64.258 0.3 A 160 PRO CB C 13 32.318 0.3 A 160 PRO N N 15 113.099 0.3 A 161 PHE H H 1 8.074 0.020 A 161 PHE HBx H 1 3.100 0.020 A 161 PHE HBy H 1 3.163 0.020 A 161 PHE HDy H 1 7.169 0.020 A 161 PHE HDx H 1 7.120 0.020 A 161 PHE HEy H 1 7.100 0.020 A 161 PHE HEx H 1 7.061 0.020 A 161 PHE HZ H 1 6.924 0.020 A 161 PHE C C 13 175.100 0.3 A 161 PHE CA C 13 56.336 0.3 A 161 PHE CB C 13 39.353 0.3 A 161 PHE CD1 C 13 132.611 0.3 A 161 PHE CD2 C 13 131.146 0.3 A 161 PHE CE1 C 13 137.886 0.3 A 161 PHE CE2 C 13 137.300 0.3 A 161 PHE CZ C 13 129.388 0.3 A 161 PHE N N 15 120.271 0.3 A 162 LEU H H 1 7.527 0.020 A 162 LEU HBx H 1 1.593 0.020 A 162 LEU HBy H 1 1.656 0.020 A 162 LEU HDx% H 1 0.804 0.020 A 162 LEU HDy% H 1 0.929 0.020 A 162 LEU C C 13 176.273 0.3 A 162 LEU CA C 13 55.750 0.3 A 162 LEU CB C 13 44.037 0.3 A 162 LEU CD1 C 13 22.648 0.3 A 162 LEU CD2 C 13 24.113 0.3 A 162 LEU N N 15 110.177 0.3 A 163 TRP H H 1 7.476 0.020 A 163 TRP HBx H 1 2.991 0.020 A 163 TRP HBy H 1 3.233 0.020 A 163 TRP HD1 H 1 7.188 0.020 A 163 TRP HE1 H 1 10.024 0.020 A 163 TRP HE3 H 1 7.335 0.020 A 163 TRP HH2 H 1 6.924 0.020 A 163 TRP HZ2 H 1 7.257 0.020 A 163 TRP HZ3 H 1 6.827 0.020 A 163 TRP C C 13 177.152 0.3 A 163 TRP CA C 13 61.606 0.3 A 163 TRP CB C 13 28.811 0.3 A 163 TRP CD1 C 13 127.044 0.3 A 163 TRP CD2 C 13 128.509 0.3 A 163 TRP CE2 C 13 138.472 0.3 A 163 TRP CE3 C 13 120.304 0.3 A 163 TRP CH2 C 13 123.820 0.3 A 163 TRP CZ2 C 13 114.443 0.3 A 163 TRP CZ3 C 13 121.183 0.3 A 163 TRP N N 15 123.525 0.3 A 163 TRP NE1 N 15 132.993 0.3 A 164 LEU H H 1 9.412 0.020 A 164 LEU HBx H 1 1.937 0.020 A 164 LEU HBy H 1 1.961 0.020 A 164 LEU HDx% H 1 0.751 0.020 A 164 LEU HDy% H 1 0.836 0.020 A 164 LEU C C 13 175.686 0.3 A 164 LEU CA C 13 61.020 0.3 A 164 LEU CB C 13 45.794 0.3 A 164 LEU CD1 C 13 22.941 0.3 A 164 LEU CD2 C 13 23.527 0.3 A 164 LEU N N 15 119.740 0.3 A 165 ALA H H 1 7.707 0.020 A 165 ALA HB% H 1 1.241 0.020 A 165 ALA C C 13 165.723 0.3 A 165 ALA CA C 13 52.236 0.3 A 165 ALA CB C 13 21.784 0.3 A 165 ALA N N 15 118.013 0.3 A 166 ARG H H 1 8.692 0.020 A 166 ARG HBx H 1 1.868 0.020 A 166 ARG HBy H 1 1.945 0.020 A 166 ARG HDx H 1 3.092 0.020 A 166 ARG HDy H 1 3.139 0.020 A 166 ARG HGx H 1 1.499 0.020 A 166 ARG HGy H 1 1.570 0.020 A 166 ARG HH11 H 1 6.797 0.020 A 166 ARG HH12 H 1 6.748 0.020 A 166 ARG HH21 H 1 6.875 0.020 A 166 ARG HH22 H 1 6.915 0.020 A 166 ARG C C 13 175.979 0.3 A 166 ARG CA C 13 49.308 0.3 A 166 ARG CB C 13 29.397 0.3 A 166 ARG CZ C 13 159.570 0.3 A 166 ARG N N 15 122.994 0.3 A 166 ARG NE N 15 89.393 0.3 A 166 ARG NH1 N 15 77.827 0.3 A 166 ARG NH2 N 15 77.392 0.3 A 167 LYS H H 1 6.819 0.020 A 167 LYS HBx H 1 1.546 0.020 A 167 LYS HBy H 1 1.898 0.020 A 167 LYS HDx H 1 1.413 0.020 A 167 LYS HDy H 1 1.507 0.020 A 167 LYS HEx H 1 2.999 0.020 A 167 LYS HEy H 1 3.178 0.020 A 167 LYS HGx H 1 1.264 0.020 A 167 LYS HGy H 1 1.327 0.020 A 167 LYS HZ1 H 1 7.316 0.020 A 167 LYS HZ2 H 1 7.316 0.020 A 167 LYS HZ3 H 1 7.316 0.020 A 167 LYS C C 13 176.273 0.3 A 167 LYS CA C 13 58.092 0.3 A 167 LYS CB C 13 34.668 0.3 A 167 LYS N N 15 112.568 0.3 A 167 LYS NZ N 15 46.773 0.3 A 168 LEU H H 1 7.269 0.020 A 168 LEU HBx H 1 1.413 0.020 A 168 LEU HBy H 1 1.929 0.020 A 168 LEU HDx% H 1 0.939 0.020 A 168 LEU HDy% H 1 0.993 0.020 A 168 LEU C C 13 177.738 0.3 A 168 LEU CA C 13 56.921 0.3 A 168 LEU CB C 13 41.695 0.3 A 168 LEU CD1 C 13 23.234 0.3 A 168 LEU CD2 C 13 24.992 0.3 A 168 LEU N N 15 114.959 0.3 A 169 ILE H H 1 8.915 0.020 A 169 ILE HD1% H 1 0.796 0.020 A 169 ILE HG1y H 1 1.262 0.020 A 169 ILE HG1x H 1 1.154 0.020 A 169 ILE HG2% H 1 0.986 0.020 A 169 ILE C C 13 171.877 0.3 A 169 ILE CA C 13 68.048 0.3 A 169 ILE CB C 13 39.353 0.3 A 169 ILE CD1 C 13 12.392 0.3 A 169 ILE CG1 C 13 27.630 0.3 A 169 ILE CG2 C 13 17.960 0.3 A 169 ILE N N 15 124.986 0.3 A 170 GLY H H 1 6.686 0.020 A 170 GLY HAy H 1 4.022 0.020 A 170 GLY HAx H 1 3.822 0.020 A 170 GLY C C 13 162.496 0.3 A 170 GLY CA C 13 44.037 0.3 A 170 GLY N N 15 113.099 0.3 A 171 ASP H H 1 6.815 0.020 A 171 ASP HBx H 1 2.609 0.020 A 171 ASP HBy H 1 2.820 0.020 A 171 ASP C C 13 178.910 0.3 A 171 ASP CA C 13 50.479 0.3 A 171 ASP CB C 13 41.109 0.3 A 171 ASP N N 15 113.232 0.3 A 172 PRO HBx H 1 2.272 0.020 A 172 PRO HBy H 1 2.288 0.020 A 172 PRO HDx H 1 3.563 0.020 A 172 PRO HDy H 1 3.806 0.020 A 172 PRO HGx H 1 2.006 0.020 A 172 PRO HGy H 1 2.045 0.020 A 172 PRO C C 13 176.566 0.3 A 172 PRO CA C 13 63.965 0.3 A 172 PRO CB C 13 31.732 0.3 A 172 PRO N N 15 120.802 0.3 A 173 ASN H H 1 8.016 0.020 A 173 ASN HBx H 1 2.468 0.020 A 173 ASN HBy H 1 2.546 0.020 A 173 ASN HD21 H 1 7.188 0.020 A 173 ASN HD22 H 1 7.208 0.020 A 173 ASN C C 13 175.979 0.3 A 173 ASN CA C 13 54.579 0.3 A 173 ASN CB C 13 36.424 0.3 A 173 ASN N N 15 109.779 0.3 A 173 ASN ND2 N 15 113.295 0.3 A 174 LEU H H 1 7.871 0.020 A 174 LEU HBx H 1 1.499 0.020 A 174 LEU HBy H 1 1.828 0.020 A 174 LEU HDx% H 1 0.851 0.020 A 174 LEU HDy% H 1 0.945 0.020 A 174 LEU C C 13 176.566 0.3 A 174 LEU CA C 13 56.336 0.3 A 174 LEU CB C 13 44.037 0.3 A 174 LEU CD1 C 13 22.355 0.3 A 174 LEU CD2 C 13 22.941 0.3 A 174 LEU N N 15 109.248 0.3 A 175 GLU H H 1 9.127 0.020 A 175 GLU HBy H 1 1.969 0.020 A 175 GLU HBx H 1 1.837 0.020 A 175 GLU HGx H 1 2.219 0.020 A 175 GLU HGy H 1 2.282 0.020 A 175 GLU C C 13 177.445 0.3 A 175 GLU CA C 13 76.247 0.3 A 175 GLU CB C 13 28.811 0.3 A 175 GLU N N 15 125.185 0.3 A 176 PHE H H 1 10.058 0.020 A 176 PHE HB2 H 1 3.210 0.020 A 176 PHE HB3 H 1 3.210 0.020 A 176 PHE HDy H 1 7.347 0.020 A 176 PHE HDx H 1 7.206 0.020 A 176 PHE HEy H 1 7.683 0.020 A 176 PHE HEx H 1 7.488 0.020 A 176 PHE HZ H 1 7.801 0.020 A 176 PHE C C 13 178.617 0.3 A 176 PHE CA C 13 59.264 0.3 A 176 PHE CB C 13 44.623 0.3 A 176 PHE CD1 C 13 131.146 0.3 A 176 PHE CD2 C 13 130.560 0.3 A 176 PHE CE1 C 13 132.904 0.3 A 176 PHE CE2 C 13 132.025 0.3 A 176 PHE CZ C 13 134.369 0.3 A 176 PHE N N 15 136.873 0.3 A 177 VAL H H 1 7.789 0.020 A 177 VAL HGx% H 1 0.877 0.020 A 177 VAL HGy% H 1 0.924 0.020 A 177 VAL C C 13 177.445 0.3 A 177 VAL CA C 13 62.777 0.3 A 177 VAL CB C 13 34.668 0.3 A 177 VAL CG1 C 13 20.890 0.3 A 177 VAL CG2 C 13 22.648 0.3 A 177 VAL N N 15 118.877 0.3 A 178 ALA H H 1 7.566 0.020 A 178 ALA CA C 13 57.507 0.3 A 178 ALA CB C 13 19.441 0.3 A 178 ALA N N 15 128.904 0.3 A 179 MET H H 1 7.930 0.020 A 179 MET HBy H 1 1.956 0.020 A 179 MET HBx H 1 1.820 0.020 A 179 MET HGx H 1 2.180 0.020 A 179 MET HGy H 1 2.266 0.020 A 179 MET C C 13 176.859 0.3 A 179 MET CA C 13 56.336 0.3 A 179 MET CB C 13 34.668 0.3 A 179 MET N N 15 120.736 0.3 A 180 PRO HBx H 1 2.102 0.020 A 180 PRO HBy H 1 2.195 0.020 A 180 PRO HDx H 1 3.469 0.020 A 180 PRO HDy H 1 3.665 0.020 A 180 PRO HGx H 1 1.830 0.020 A 180 PRO HGy H 1 2.016 0.020 A 180 PRO C C 13 177.445 0.3 A 180 PRO CA C 13 64.844 0.3 A 180 PRO CB C 13 29.974 0.3 A 180 PRO N N 15 112.236 0.3 A 181 ALA H H 1 8.673 0.020 A 181 ALA HB% H 1 1.225 0.020 A 181 ALA C C 13 176.273 0.3 A 181 ALA CA C 13 58.092 0.3 A 181 ALA CB C 13 21.198 0.3 A 181 ALA N N 15 128.439 0.3 A 182 LEU H H 1 8.821 0.020 A 182 LEU HBx H 1 1.476 0.020 A 182 LEU HBy H 1 1.626 0.020 A 182 LEU HDx% H 1 0.868 0.020 A 182 LEU HDy% H 1 0.923 0.020 A 182 LEU C C 13 177.445 0.3 A 182 LEU CA C 13 55.164 0.3 A 182 LEU CB C 13 42.866 0.3 A 182 LEU CD1 C 13 24.113 0.3 A 182 LEU CD2 C 13 24.699 0.3 A 182 LEU N N 15 122.130 0.3 A 183 ALA H H 1 7.621 0.020 A 183 ALA HB% H 1 1.257 0.020 A 183 ALA C C 13 160.742 0.3 A 183 ALA CA C 13 51.651 0.3 A 183 ALA CB C 13 18.856 0.3 A 183 ALA N N 15 108.783 0.3 A 184 PRO HBx H 1 2.163 0.020 A 184 PRO HBy H 1 2.237 0.020 A 184 PRO HDx H 1 3.870 0.020 A 184 PRO HDy H 1 3.893 0.020 A 184 PRO HGx H 1 1.992 0.020 A 184 PRO HGy H 1 2.006 0.020 A 184 PRO C C 13 177.152 0.3 A 184 PRO CA C 13 64.258 0.3 A 184 PRO CB C 13 29.681 0.3 A 184 PRO N N 15 117.482 0.3 A 185 PRO HBx H 1 2.233 0.020 A 185 PRO HBy H 1 2.272 0.020 A 185 PRO HDx H 1 3.695 0.020 A 185 PRO HDy H 1 3.836 0.020 A 185 PRO HGx H 1 1.843 0.020 A 185 PRO HGy H 1 1.932 0.020 A 185 PRO C C 13 175.686 0.3 A 185 PRO CA C 13 63.379 0.3 A 185 PRO CB C 13 35.248 0.3 A 185 PRO N N 15 116.220 0.3 A 186 GLU H H 1 8.673 0.020 A 186 GLU HBx H 1 2.006 0.020 A 186 GLU HBy H 1 2.092 0.020 A 186 GLU HGx H 1 2.186 0.020 A 186 GLU HGy H 1 2.272 0.020 A 186 GLU C C 13 174.221 0.3 A 186 GLU CA C 13 57.507 0.3 A 186 GLU CB C 13 31.739 0.3 A 186 GLU CD C 13 178.910 0.3 A 186 GLU N N 15 104.931 0.3 A 187 VAL H H 1 8.622 0.020 A 187 VAL HGx% H 1 0.914 0.020 A 187 VAL HGy% H 1 0.961 0.020 A 187 VAL C C 13 178.910 0.3 A 187 VAL CA C 13 63.363 0.3 A 187 VAL CB C 13 34.082 0.3 A 187 VAL CG1 C 13 20.304 0.3 A 187 VAL CG2 C 13 21.183 0.3 A 187 VAL N N 15 124.455 0.3 A 188 VAL H H 1 8.497 0.020 A 188 VAL HGx% H 1 0.820 0.020 A 188 VAL HGy% H 1 0.922 0.020 A 188 VAL C C 13 178.324 0.3 A 188 VAL CA C 13 68.634 0.3 A 188 VAL CB C 13 31.154 0.3 A 188 VAL CG1 C 13 21.476 0.3 A 188 VAL CG2 C 13 22.648 0.3 A 188 VAL N N 15 128.572 0.3 A 189 MET H H 1 6.991 0.020 A 189 MET HBx H 1 1.992 0.020 A 189 MET HBy H 1 2.120 0.020 A 189 MET HGx H 1 2.202 0.020 A 189 MET HGy H 1 2.280 0.020 A 189 MET C C 13 177.445 0.3 A 189 MET CA C 13 55.164 0.3 A 189 MET CB C 13 35.253 0.3 A 189 MET N N 15 122.795 0.3 A 190 ASP H H 1 7.210 0.020 A 190 ASP HBx H 1 2.485 0.020 A 190 ASP HBy H 1 2.587 0.020 A 190 ASP C C 13 175.686 0.3 A 190 ASP CA C 13 51.065 0.3 A 190 ASP CB C 13 41.695 0.3 A 190 ASP N N 15 114.959 0.3 A 191 PRO HBx H 1 2.361 0.020 A 191 PRO HBy H 1 2.444 0.020 A 191 PRO HDx H 1 3.530 0.020 A 191 PRO HDy H 1 3.836 0.020 A 191 PRO HGx H 1 1.900 0.020 A 191 PRO HGy H 1 1.923 0.020 A 191 PRO C C 13 176.566 0.3 A 191 PRO CA C 13 63.965 0.3 A 191 PRO CB C 13 31.146 0.3 A 191 PRO N N 15 121.400 0.3 A 192 ALA H H 1 7.394 0.020 A 192 ALA CA C 13 53.993 0.3 A 192 ALA CB C 13 19.441 0.3 A 192 ALA N N 15 109.513 0.3 A 193 LEU H H 1 8.340 0.020 A 193 LEU HBx H 1 1.405 0.020 A 193 LEU HBy H 1 1.632 0.020 A 193 LEU HDx% H 1 0.666 0.020 A 193 LEU HDy% H 1 0.807 0.020 A 193 LEU C C 13 175.979 0.3 A 193 LEU CA C 13 56.336 0.3 A 193 LEU CB C 13 42.866 0.3 A 193 LEU CD1 C 13 23.820 0.3 A 193 LEU CD2 C 13 24.699 0.3 A 193 LEU N N 15 119.009 0.3 A 194 ALA H H 1 8.176 0.020 A 194 ALA HB% H 1 1.249 0.020 A 194 ALA C C 13 166.896 0.3 A 194 ALA CA C 13 55.164 0.3 A 194 ALA CB C 13 16.513 0.3 A 194 ALA N N 15 121.666 0.3 A 195 ALA H H 1 8.364 0.020 A 195 ALA HB% H 1 1.358 0.020 A 195 ALA C C 13 173.928 0.3 A 195 ALA CA C 13 57.507 0.3 A 195 ALA CB C 13 19.441 0.3 A 195 ALA N N 15 119.541 0.3 A 196 GLN H H 1 7.910 0.020 A 196 GLN HBx H 1 1.907 0.020 A 196 GLN HBy H 1 1.923 0.020 A 196 GLN HE21 H 1 7.245 0.020 A 196 GLN HE22 H 1 7.042 0.020 A 196 GLN HGx H 1 2.108 0.020 A 196 GLN HGy H 1 2.319 0.020 A 196 GLN C C 13 176.273 0.3 A 196 GLN CA C 13 56.921 0.3 A 196 GLN CB C 13 29.983 0.3 A 196 GLN CD C 13 178.617 0.3 A 196 GLN N N 15 107.322 0.3 A 196 GLN NE2 N 15 119.200 0.3 A 197 TYR H H 1 8.196 0.020 A 197 TYR HBx H 1 3.102 0.020 A 197 TYR HBy H 1 3.172 0.020 A 197 TYR HDx H 1 6.905 0.020 A 197 TYR HDy H 1 6.954 0.020 A 197 TYR HEx H 1 6.690 0.020 A 197 TYR HEy H 1 6.719 0.020 A 197 TYR HH H 1 9.222 0.020 A 197 TYR CA C 13 67.462 0.3 A 197 TYR CB C 13 41.695 0.3 A 197 TYR CD1 C 13 131.439 0.3 A 197 TYR CD2 C 13 132.318 0.3 A 197 TYR CE1 C 13 116.494 0.3 A 197 TYR CE2 C 13 117.374 0.3 A 197 TYR CZ C 13 156.346 0.3 A 197 TYR N N 15 115.623 0.3 A 198 GLU H H 1 7.523 0.020 A 198 GLU HBx H 1 1.804 0.020 A 198 GLU HBy H 1 1.929 0.020 A 198 GLU HGx H 1 2.094 0.020 A 198 GLU HGy H 1 2.149 0.020 A 198 GLU C C 13 176.273 0.3 A 198 GLU CA C 13 53.407 0.3 A 198 GLU CB C 13 30.568 0.3 A 198 GLU N N 15 110.244 0.3 A 199 HIS H H 1 8.512 0.020 A 199 HIS HBx H 1 2.929 0.020 A 199 HIS HBy H 1 3.036 0.020 A 199 HIS HD1 H 1 10.494 0.020 A 199 HIS HD2 H 1 7.237 0.020 A 199 HIS HE1 H 1 7.873 0.020 A 199 HIS HE2 H 1 11.181 0.020 A 199 HIS C C 13 175.686 0.3 A 199 HIS CA C 13 56.921 0.3 A 199 HIS CB C 13 28.226 0.3 A 199 HIS CD2 C 13 118.253 0.3 A 199 HIS CE1 C 13 139.058 0.3 A 199 HIS N N 15 118.611 0.3 A 199 HIS ND1 N 15 198.848 0.3 A 199 HIS NE2 N 15 182.872 0.3 A 200 ASP H H 1 7.519 0.020 A 200 ASP HBx H 1 2.502 0.020 A 200 ASP HBy H 1 2.518 0.020 A 200 ASP C C 13 176.273 0.3 A 200 ASP CA C 13 56.921 0.3 A 200 ASP CB C 13 40.524 0.3 A 200 ASP N N 15 120.736 0.3 A 201 LEU H H 1 7.722 0.020 A 201 LEU HBx H 1 1.790 0.020 A 201 LEU HBy H 1 1.907 0.020 A 201 LEU HDx% H 1 0.771 0.020 A 201 LEU HDy% H 1 1.000 0.020 A 201 LEU C C 13 178.910 0.3 A 201 LEU CA C 13 61.606 0.3 A 201 LEU CB C 13 41.109 0.3 A 201 LEU CD1 C 13 21.769 0.3 A 201 LEU CD2 C 13 22.941 0.3 A 201 LEU N N 15 116.353 0.3 A 202 GLU H H 1 8.857 0.020 A 202 GLU HBx H 1 1.976 0.020 A 202 GLU HBy H 1 2.092 0.020 A 202 GLU HGx H 1 2.186 0.020 A 202 GLU HGy H 1 2.211 0.020 A 202 GLU C C 13 176.566 0.3 A 202 GLU CA C 13 56.921 0.3 A 202 GLU CB C 13 30.568 0.3 A 202 GLU N N 15 118.080 0.3 A 203 VAL H H 1 9.283 0.020 A 203 VAL HGx% H 1 0.870 0.020 A 203 VAL HGy% H 1 0.890 0.020 A 203 VAL C C 13 178.617 0.3 A 203 VAL CA C 13 64.534 0.3 A 203 VAL CB C 13 27.640 0.3 A 203 VAL CG1 C 13 21.476 0.3 A 203 VAL CG2 C 13 22.648 0.3 A 203 VAL N N 15 129.369 0.3 A 204 ALA H H 1 8.528 0.020 A 204 ALA HB% H 1 1.203 0.020 A 204 ALA C C 13 176.859 0.3 A 204 ALA CA C 13 54.579 0.3 A 204 ALA CB C 13 18.270 0.3 A 204 ALA N N 15 109.580 0.3 A 205 GLN H H 1 7.973 0.020 A 205 GLN HBx H 1 1.937 0.020 A 205 GLN HBy H 1 1.961 0.020 A 205 GLN HE21 H 1 7.306 0.020 A 205 GLN HE22 H 1 6.993 0.020 A 205 GLN HGx H 1 2.233 0.020 A 205 GLN HGy H 1 2.358 0.020 A 205 GLN C C 13 175.979 0.3 A 205 GLN CA C 13 48.137 0.3 A 205 GLN CB C 13 25.883 0.3 A 205 GLN N N 15 115.756 0.3 A 205 GLN NE2 N 15 110.492 0.3 A 206 THR H H 1 7.585 0.020 A 206 THR HG1 H 1 5.956 0.020 A 206 THR HG2% H 1 1.227 0.020 A 206 THR C C 13 176.273 0.3 A 206 THR CA C 13 67.462 0.3 A 206 THR CB C 13 70.390 0.3 A 206 THR CG2 C 13 21.476 0.3 A 206 THR N N 15 120.271 0.3 A 207 THR H H 1 7.468 0.020 A 207 THR HG1 H 1 5.986 0.020 A 207 THR HG2% H 1 1.061 0.020 A 207 THR C C 13 176.566 0.3 A 207 THR CA C 13 64.534 0.3 A 207 THR CB C 13 72.733 0.3 A 207 THR CG2 C 13 20.597 0.3 A 207 THR N N 15 111.970 0.3 A 208 ALA H H 1 7.390 0.020 A 208 ALA HB% H 1 1.249 0.020 A 208 ALA C C 13 168.947 0.3 A 208 ALA CA C 13 55.164 0.3 A 208 ALA CB C 13 22.369 0.3 A 208 ALA N N 15 115.623 0.3 A 209 LEU H H 1 7.652 0.020 A 209 LEU HBx H 1 1.658 0.020 A 209 LEU HBy H 1 1.776 0.020 A 209 LEU HDx% H 1 0.907 0.020 A 209 LEU HDy% H 1 0.939 0.020 A 209 LEU C C 13 176.273 0.3 A 209 LEU CA C 13 58.678 0.3 A 209 LEU CB C 13 46.380 0.3 A 209 LEU CD1 C 13 24.113 0.3 A 209 LEU CD2 C 13 24.699 0.3 A 209 LEU N N 15 117.814 0.3 A 210 PRO HBx H 1 1.868 0.020 A 210 PRO HBy H 1 1.939 0.020 A 210 PRO HDx H 1 3.718 0.020 A 210 PRO HDy H 1 3.836 0.020 A 210 PRO HGx H 1 1.618 0.020 A 210 PRO HGy H 1 1.696 0.020 A 210 PRO C C 13 176.566 0.3 A 210 PRO CA C 13 63.086 0.3 A 210 PRO CB C 13 31.146 0.3 A 210 PRO N N 15 113.896 0.3 A 211 ASP H H 1 9.510 0.020 A 211 ASP HBx H 1 2.476 0.020 A 211 ASP HBy H 1 2.617 0.020 A 211 ASP C C 13 176.273 0.3 A 211 ASP CA C 13 52.236 0.3 A 211 ASP CB C 13 42.281 0.3 A 211 ASP N N 15 121.134 0.3 A 212 GLU H H 1 8.399 0.020 A 212 GLU HBx H 1 1.920 0.020 A 212 GLU HBy H 1 1.960 0.020 A 212 GLU HGx H 1 2.250 0.020 A 212 GLU HGy H 1 2.270 0.020 A 212 GLU C C 13 176.273 0.3 A 212 GLU CA C 13 55.164 0.3 A 212 GLU CB C 13 30.568 0.3 A 212 GLU N N 15 131.162 0.3 A 213 ASP H H 1 10.699 0.020 A 213 ASP HBy H 1 2.770 0.020 A 213 ASP HBx H 1 2.679 0.020 A 213 ASP C C 13 174.807 0.3 A 213 ASP CA C 13 51.065 0.3 A 213 ASP CB C 13 41.109 0.3 A 213 ASP N N 15 115.822 0.3 A 214 ASP H H 1 7.464 0.020 A 214 ASP HBx H 1 2.437 0.020 A 214 ASP HBy H 1 2.554 0.020 A 214 ASP C C 13 178.910 0.3 A 214 ASP CA C 13 54.579 0.3 A 214 ASP CB C 13 39.353 0.3 A 214 ASP N N 15 112.369 0.3 A 215 ASP H H 1 8.301 0.020 A 215 ASP HBx H 1 2.837 0.020 A 215 ASP HBy H 1 2.915 0.020 A 215 ASP C C 13 176.859 0.3 A 215 ASP CA C 13 54.579 0.3 A 215 ASP CB C 13 40.524 0.3 A 215 ASP N N 15 127.244 0.3 A 216 LEU H H 1 8.555 0.020 A 216 LEU HBx H 1 1.532 0.020 A 216 LEU HBy H 1 1.860 0.020 A 216 LEU HDx% H 1 1.742 0.020 A 216 LEU HDy% H 1 1.843 0.020 A 216 LEU C C 13 176.273 0.3 A 216 LEU CA C 13 56.336 0.3 A 216 LEU CB C 13 43.452 0.3 A 216 LEU CD1 C 13 24.406 0.3 A 216 LEU CD2 C 13 24.992 0.3 A 216 LEU N N 15 114.361 0.3 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 6 GLU C A 7 PRO N A 7 PRO CA A 7 PRO C 1.0 -131.0 -47.0 PHI 2 2 A 7 PRO N A 7 PRO CA A 7 PRO C A 8 GLN N 1.0 106.0 154.0 PSI 3 3 A 8 GLN C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -137.0 -57.0 PHI 4 4 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 GLN N 1.0 85.0 169.0 PSI 5 5 A 10 GLN C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -135.0 -19.0 PHI 6 6 A 11 PHE N A 11 PHE CA A 11 PHE C A 12 LYS N 1.0 -61.0 7.0 PSI 7 7 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 LEU N 1.0 -50.0 14.0 PSI 8 8 A 12 LYS C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -148.0 -56.0 PHI 9 9 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 VAL N 1.0 -40.0 44.0 PSI 10 10 A 13 LEU C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -100.0 -36.0 PHI 11 11 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 LEU N 1.0 -57.0 -5.0 PSI 12 12 A 14 VAL C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -132.0 -36.0 PHI 13 13 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 VAL N 1.0 -54.0 30.0 PSI 14 14 A 15 LEU C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -143.0 -51.0 PHI 15 15 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 GLY N 1.0 -69.0 35.0 PSI 16 16 A 16 VAL C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 -90.0 -42.0 PHI 17 17 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 ASP N 1.0 -53.0 -13.0 PSI 18 18 A 17 GLY C A 18 ASP N A 18 ASP CA A 18 ASP C 1.0 -132.0 -60.0 PHI 19 19 A 18 ASP N A 18 ASP CA A 18 ASP C A 19 GLY N 1.0 -57.0 43.0 PSI 20 20 A 18 ASP C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 -79.0 -39.0 PHI 21 21 A 19 GLY N A 19 GLY CA A 19 GLY C A 20 GLY N 1.0 -58.0 -18.0 PSI 22 22 A 20 GLY C A 21 THR N A 21 THR CA A 21 THR C 1.0 -157.0 -65.0 PHI 23 23 A 21 THR N A 21 THR CA A 21 THR C A 22 GLY N 1.0 103.0 155.0 PSI 24 24 A 22 GLY C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -92.0 -52.0 PHI 25 25 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 THR N 1.0 102.0 162.0 PSI 26 26 A 27 VAL C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -149.0 -53.0 PHI 27 27 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 ARG N 1.0 124.0 168.0 PSI 28 28 A 28 LYS C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -145.0 -57.0 PHI 29 29 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 HIS N 1.0 138.0 194.0 PSI 30 30 A 29 ARG C A 30 HIS N A 30 HIS CA A 30 HIS C 1.0 -89.0 -49.0 PHI 31 31 A 30 HIS N A 30 HIS CA A 30 HIS C A 31 LEU N 1.0 -59.0 9.0 PSI 32 32 A 30 HIS C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -145.0 -65.0 PHI 33 33 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 THR N 1.0 -53.0 35.0 PSI 34 34 A 31 LEU C A 32 THR N A 32 THR CA A 32 THR C 1.0 -78.0 -38.0 PHI 35 35 A 32 THR N A 32 THR CA A 32 THR C A 33 GLY N 1.0 -57.0 -17.0 PSI 36 36 A 32 THR C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 -111.8 -39.9 PHI 37 37 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 GLU N 1.0 -57.7 -12.9 PSI 38 38 A 33 GLY C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -142.0 -54.2 PHI 39 39 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 PHE N 1.0 -54.2 17.9 PSI 40 40 A 36 GLU C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -137.1 -40.9 PHI 41 41 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 LYS N 1.0 107.0 157.0 PSI 42 42 A 38 LYS C A 39 TYR N A 39 TYR CA A 39 TYR C 1.0 -148.4 -79.9 PHI 43 43 A 39 TYR N A 39 TYR CA A 39 TYR C A 40 VAL N 1.0 116.2 169.7 PSI 44 44 A 39 TYR C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -170.2 -96.8 PHI 45 45 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 ALA N 1.0 132.9 172.9 PSI 46 46 A 41 ALA C A 42 THR N A 42 THR CA A 42 THR C 1.0 -174.8 -98.4 PHI 47 47 A 42 THR N A 42 THR CA A 42 THR C A 43 LEU N 1.0 149.8 189.8 PSI 48 48 A 42 THR C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -89.9 -42.7 PHI 49 49 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 GLY N 1.0 -59.6 3.0 PSI 50 50 A 44 GLY C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -119.4 -72.3 PHI 51 51 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 GLU N 1.0 -25.6 22.8 PSI 52 52 A 46 GLU C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -102.3 -62.3 PHI 53 53 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 HIS N 1.0 119.0 213.8 PSI 54 54 A 47 VAL C A 48 HIS N A 48 HIS CA A 48 HIS C 1.0 -92.7 -31.2 PHI 55 55 A 48 HIS N A 48 HIS CA A 48 HIS C A 49 PRO N 1.0 -60.6 7.1 PSI 56 56 A 52 PHE C A 53 HIS N A 53 HIS CA A 53 HIS C 1.0 -149.4 -66.5 PHI 57 57 A 53 HIS N A 53 HIS CA A 53 HIS C A 54 THR N 1.0 60.7 187.9 PSI 58 58 A 54 THR N A 54 THR CA A 54 THR C A 55 ASN N 1.0 13.0 53.4 PSI 59 59 A 54 THR C A 55 ASN N A 55 ASN CA A 55 ASN C 1.0 -93.5 -53.5 PHI 60 60 A 55 ASN N A 55 ASN CA A 55 ASN C A 56 ARG N 1.0 -53.7 -4.0 PSI 61 61 A 56 ARG C A 57 GLY N A 57 GLY CA A 57 GLY C 1.0 -144.1 -93.6 PHI 62 62 A 57 GLY N A 57 GLY CA A 57 GLY C A 58 PRO N 1.0 97.8 168.3 PSI 63 63 A 57 GLY C A 58 PRO N A 58 PRO CA A 58 PRO C 1.0 -185.4 -96.8 PHI 64 64 A 58 PRO N A 58 PRO CA A 58 PRO C A 59 ILE N 1.0 121.7 199.7 PSI 65 65 A 58 PRO C A 59 ILE N A 59 ILE CA A 59 ILE C 1.0 -117.6 -42.0 PHI 66 66 A 59 ILE N A 59 ILE CA A 59 ILE C A 60 LYS N 1.0 98.3 154.7 PSI 67 67 A 59 ILE C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -133.8 -62.2 PHI 68 68 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 PHE N 1.0 -20.6 43.2 PSI 69 69 A 60 LYS C A 61 PHE N A 61 PHE CA A 61 PHE C 1.0 -124.9 -51.3 PHI 70 70 A 61 PHE N A 61 PHE CA A 61 PHE C A 62 ASN N 1.0 114.7 154.7 PSI 71 71 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 TRP N 1.0 89.9 178.8 PSI 72 72 A 63 VAL C A 64 TRP N A 64 TRP CA A 64 TRP C 1.0 -77.7 -37.7 PHI 73 73 A 64 TRP N A 64 TRP CA A 64 TRP C A 65 ASP N 1.0 -56.9 -16.9 PSI 74 74 A 64 TRP C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -118.3 -49.2 PHI 75 75 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 THR N 1.0 -53.2 39.7 PSI 76 76 A 65 ASP C A 66 THR N A 66 THR CA A 66 THR C 1.0 -176.4 -42.7 PHI 77 77 A 66 THR N A 66 THR CA A 66 THR C A 67 ALA N 1.0 115.5 182.9 PSI 78 78 A 70 GLU C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -104.0 -43.6 PHI 79 79 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 PHE N 1.0 -60.9 -19.8 PSI 80 80 A 72 PHE C A 73 GLY N A 73 GLY CA A 73 GLY C 1.0 48.2 96.3 PHI 81 81 A 73 GLY N A 73 GLY CA A 73 GLY C A 74 GLY N 1.0 -19.0 59.5 PSI 82 82 A 73 GLY C A 74 GLY N A 74 GLY CA A 74 GLY C 1.0 -133.8 -56.3 PHI 83 83 A 74 GLY N A 74 GLY CA A 74 GLY C A 75 LEU N 1.0 -28.7 37.8 PSI 84 84 A 74 GLY C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 41.2 87.5 PHI 85 85 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 ARG N 1.0 15.6 56.1 PSI 86 86 A 75 LEU C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -176.0 -77.3 PHI 87 87 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 ASP N 1.0 144.1 184.1 PSI 88 88 A 80 TYR C A 81 ILE N A 81 ILE CA A 81 ILE C 1.0 -142.4 -24.3 PHI 89 89 A 81 ILE N A 81 ILE CA A 81 ILE C A 82 GLN N 1.0 103.0 153.2 PSI 90 90 A 81 ILE C A 82 GLN N A 82 GLN CA A 82 GLN C 1.0 -149.4 -71.4 PHI 91 91 A 82 GLN N A 82 GLN CA A 82 GLN C A 83 ALA N 1.0 108.7 148.7 PSI 92 92 A 85 CYS C A 86 ALA N A 86 ALA CA A 86 ALA C 1.0 -79.3 -39.3 PHI 93 93 A 86 ALA N A 86 ALA CA A 86 ALA C A 87 ILE N 1.0 -56.8 -16.8 PSI 94 94 A 86 ALA C A 87 ILE N A 87 ILE CA A 87 ILE C 1.0 -121.6 -58.3 PHI 95 95 A 87 ILE N A 87 ILE CA A 87 ILE C A 88 ILE N 1.0 -42.8 54.2 PSI 96 96 A 88 ILE C A 89 MET N A 89 MET CA A 89 MET C 1.0 -152.9 -90.3 PHI 97 97 A 89 MET N A 89 MET CA A 89 MET C A 90 PHE N 1.0 116.0 158.8 PSI 98 98 A 89 MET C A 90 PHE N A 90 PHE CA A 90 PHE C 1.0 -163.6 -85.9 PHI 99 99 A 90 PHE N A 90 PHE CA A 90 PHE C A 91 ASP N 1.0 123.0 196.5 PSI 100 100 A 91 ASP C A 92 VAL N A 92 VAL CA A 92 VAL C 1.0 -138.3 -38.4 PHI 101 101 A 92 VAL N A 92 VAL CA A 92 VAL C A 93 THR N 1.0 -62.1 31.4 PSI 102 102 A 93 THR C A 94 SER N A 94 SER CA A 94 SER C 1.0 -122.5 -75.0 PHI 103 103 A 94 SER N A 94 SER CA A 94 SER C A 95 ARG N 1.0 -26.4 14.3 PSI 104 104 A 94 SER C A 95 ARG N A 95 ARG CA A 95 ARG C 1.0 -98.7 -37.9 PHI 105 105 A 95 ARG N A 95 ARG CA A 95 ARG C A 96 VAL N 1.0 114.5 154.5 PSI 106 106 A 95 ARG C A 96 VAL N A 96 VAL CA A 96 VAL C 1.0 44.1 128.3 PHI 107 107 A 96 VAL N A 96 VAL CA A 96 VAL C A 97 THR N 1.0 -61.1 58.8 PSI 108 108 A 96 VAL C A 97 THR N A 97 THR CA A 97 THR C 1.0 -130.9 -23.0 PHI 109 109 A 97 THR N A 97 THR CA A 97 THR C A 98 TYR N 1.0 -62.6 -7.8 PSI 110 110 A 97 THR C A 98 TYR N A 98 TYR CA A 98 TYR C 1.0 -132.5 -57.4 PHI 111 111 A 98 TYR N A 98 TYR CA A 98 TYR C A 99 LYS N 1.0 -64.0 30.2 PSI 112 112 A 98 TYR C A 99 LYS N A 99 LYS CA A 99 LYS C 1.0 -130.1 -21.6 PHI 113 113 A 99 LYS N A 99 LYS CA A 99 LYS C A 100 ASN N 1.0 -59.2 43.0 PSI 114 114 A 100 ASN C A 101 VAL N A 101 VAL CA A 101 VAL C 1.0 -79.2 -39.2 PHI 115 115 A 101 VAL N A 101 VAL CA A 101 VAL C A 102 PRO N 1.0 -58.7 -18.7 PSI 116 116 A 101 VAL C A 102 PRO N A 102 PRO CA A 102 PRO C 1.0 -111.7 -49.7 PHI 117 117 A 102 PRO N A 102 PRO CA A 102 PRO C A 103 ASN N 1.0 -63.5 -0.0 PSI 118 118 A 102 PRO C A 103 ASN N A 103 ASN CA A 103 ASN C 1.0 -117.2 -40.7 PHI 119 119 A 103 ASN N A 103 ASN CA A 103 ASN C A 104 TRP N 1.0 -48.1 11.6 PSI 120 120 A 103 ASN C A 104 TRP N A 104 TRP CA A 104 TRP C 1.0 -114.0 -28.2 PHI 121 121 A 104 TRP N A 104 TRP CA A 104 TRP C A 105 HIS N 1.0 -71.7 15.8 PSI 122 122 A 104 TRP C A 105 HIS N A 105 HIS CA A 105 HIS C 1.0 -112.1 -45.0 PHI 123 123 A 105 HIS N A 105 HIS CA A 105 HIS C A 106 ARG N 1.0 -51.7 20.9 PSI 124 124 A 105 HIS C A 106 ARG N A 106 ARG CA A 106 ARG C 1.0 -122.6 -35.0 PHI 125 125 A 106 ARG N A 106 ARG CA A 106 ARG C A 107 ASP N 1.0 -68.5 45.1 PSI 126 126 A 107 ASP C A 108 LEU N A 108 LEU CA A 108 LEU C 1.0 -119.1 -44.7 PHI 127 127 A 108 LEU N A 108 LEU CA A 108 LEU C A 109 VAL N 1.0 87.8 147.3 PSI 128 128 A 108 LEU C A 109 VAL N A 109 VAL CA A 109 VAL C 1.0 -79.0 -39.0 PHI 129 129 A 109 VAL N A 109 VAL CA A 109 VAL C A 110 ARG N 1.0 -62.7 -11.9 PSI 130 130 A 110 ARG C A 111 VAL N A 111 VAL CA A 111 VAL C 1.0 -84.7 -44.7 PHI 131 131 A 111 VAL N A 111 VAL CA A 111 VAL C A 112 CYS N 1.0 -57.0 -2.9 PSI 132 132 A 111 VAL C A 112 CYS N A 112 CYS CA A 112 CYS C 1.0 -121.5 -44.4 PHI 133 133 A 112 CYS N A 112 CYS CA A 112 CYS C A 113 GLU N 1.0 -76.3 5.6 PSI 134 134 A 112 CYS C A 113 GLU N A 113 GLU CA A 113 GLU C 1.0 -122.1 -30.0 PHI 135 135 A 113 GLU N A 113 GLU CA A 113 GLU C A 114 ASN N 1.0 -68.4 1.1 PSI 136 136 A 113 GLU C A 114 ASN N A 114 ASN CA A 114 ASN C 1.0 -120.4 -29.4 PHI 137 137 A 114 ASN N A 114 ASN CA A 114 ASN C A 115 ILE N 1.0 -79.2 9.2 PSI 138 138 A 116 PRO C A 117 ILE N A 117 ILE CA A 117 ILE C 1.0 -187.6 -74.8 PHI 139 139 A 117 ILE N A 117 ILE CA A 117 ILE C A 118 VAL N 1.0 144.5 184.5 PSI 140 140 A 119 LEU C A 120 CYS N A 120 CYS CA A 120 CYS C 1.0 -117.2 -46.1 PHI 141 141 A 120 CYS N A 120 CYS CA A 120 CYS C A 121 GLY N 1.0 -54.3 3.7 PSI 142 142 A 121 GLY N A 121 GLY CA A 121 GLY C A 122 ASN N 1.0 -41.5 33.0 PSI 143 143 A 121 GLY C A 122 ASN N A 122 ASN CA A 122 ASN C 1.0 -76.3 -36.3 PHI 144 144 A 122 ASN N A 122 ASN CA A 122 ASN C A 123 LYS N 1.0 -61.1 -21.0 PSI 145 145 A 122 ASN C A 123 LYS N A 123 LYS CA A 123 LYS C 1.0 -93.8 -42.5 PHI 146 146 A 123 LYS N A 123 LYS CA A 123 LYS C A 124 VAL N 1.0 -54.9 -5.0 PSI 147 147 A 123 LYS C A 124 VAL N A 124 VAL CA A 124 VAL C 1.0 -134.3 -37.6 PHI 148 148 A 124 VAL N A 124 VAL CA A 124 VAL C A 125 ASP N 1.0 -65.2 51.1 PSI 149 149 A 126 ILE C A 127 LYS N A 127 LYS CA A 127 LYS C 1.0 -157.9 -72.0 PHI 150 150 A 127 LYS N A 127 LYS CA A 127 LYS C A 128 ASP N 1.0 67.1 160.4 PSI 151 151 A 128 ASP C A 129 ARG N A 129 ARG CA A 129 ARG C 1.0 -96.5 -41.5 PHI 152 152 A 129 ARG N A 129 ARG CA A 129 ARG C A 130 LYS N 1.0 -56.2 -4.3 PSI 153 153 A 129 ARG C A 130 LYS N A 130 LYS CA A 130 LYS C 1.0 -85.4 -45.4 PHI 154 154 A 130 LYS N A 130 LYS CA A 130 LYS C A 131 VAL N 1.0 -60.0 -20.0 PSI 155 155 A 130 LYS C A 131 VAL N A 131 VAL CA A 131 VAL C 1.0 -91.9 -50.0 PHI 156 156 A 131 VAL N A 131 VAL CA A 131 VAL C A 132 LYS N 1.0 -59.0 -18.9 PSI 157 157 A 131 VAL C A 132 LYS N A 132 LYS CA A 132 LYS C 1.0 -87.6 -47.6 PHI 158 158 A 132 LYS N A 132 LYS CA A 132 LYS C A 133 ALA N 1.0 -57.7 15.6 PSI 159 159 A 132 LYS C A 133 ALA N A 133 ALA CA A 133 ALA C 1.0 -114.4 -69.4 PHI 160 160 A 133 ALA N A 133 ALA CA A 133 ALA C A 134 LYS N 1.0 -33.2 25.8 PSI 161 161 A 134 LYS C A 135 SER N A 135 SER CA A 135 SER C 1.0 -154.2 -91.4 PHI 162 162 A 135 SER N A 135 SER CA A 135 SER C A 136 ILE N 1.0 145.5 192.6 PSI 163 163 A 135 SER C A 136 ILE N A 136 ILE CA A 136 ILE C 1.0 -110.6 -30.1 PHI 164 164 A 136 ILE N A 136 ILE CA A 136 ILE C A 137 VAL N 1.0 -66.3 2.6 PSI 165 165 A 136 ILE C A 137 VAL N A 137 VAL CA A 137 VAL C 1.0 -149.9 -57.6 PHI 166 166 A 137 VAL N A 137 VAL CA A 137 VAL C A 138 PHE N 1.0 -48.3 27.2 PSI 167 167 A 138 PHE C A 139 HIS N A 139 HIS CA A 139 HIS C 1.0 -159.6 -95.6 PHI 168 168 A 139 HIS N A 139 HIS CA A 139 HIS C A 140 ARG N 1.0 135.7 181.0 PSI 169 169 A 140 ARG C A 141 LYS N A 141 LYS CA A 141 LYS C 1.0 -104.2 -31.2 PHI 170 170 A 141 LYS N A 141 LYS CA A 141 LYS C A 142 LYS N 1.0 -60.1 -11.3 PSI 171 171 A 141 LYS C A 142 LYS N A 142 LYS CA A 142 LYS C 1.0 -95.6 -51.9 PHI 172 172 A 142 LYS N A 142 LYS CA A 142 LYS C A 143 ASN N 1.0 -51.1 -4.4 PSI 173 173 A 142 LYS C A 143 ASN N A 143 ASN CA A 143 ASN C 1.0 -124.0 -37.5 PHI 174 174 A 143 ASN N A 143 ASN CA A 143 ASN C A 144 LEU N 1.0 -68.1 14.8 PSI 175 175 A 144 LEU C A 145 GLN N A 145 GLN CA A 145 GLN C 1.0 -110.5 -23.3 PHI 176 176 A 145 GLN N A 145 GLN CA A 145 GLN C A 146 TYR N 1.0 -62.4 6.9 PSI 177 177 A 145 GLN C A 146 TYR N A 146 TYR CA A 146 TYR C 1.0 -110.4 -54.6 PHI 178 178 A 146 TYR N A 146 TYR CA A 146 TYR C A 147 TYR N 1.0 -61.4 10.6 PSI 179 179 A 146 TYR C A 147 TYR N A 147 TYR CA A 147 TYR C 1.0 -133.1 -82.8 PHI 180 180 A 147 TYR N A 147 TYR CA A 147 TYR C A 148 ASP N 1.0 -37.9 19.7 PSI 181 181 A 149 ILE C A 150 SER N A 150 SER CA A 150 SER C 1.0 -124.4 -38.5 PHI 182 182 A 150 SER N A 150 SER CA A 150 SER C A 151 ALA N 1.0 140.0 180.0 PSI 183 183 A 150 SER C A 151 ALA N A 151 ALA CA A 151 ALA C 1.0 -95.8 -46.3 PHI 184 184 A 151 ALA N A 151 ALA CA A 151 ALA C A 152 LYS N 1.0 -52.2 8.6 PSI 185 185 A 153 SER C A 154 ASN N A 154 ASN CA A 154 ASN C 1.0 -127.3 -75.9 PHI 186 186 A 154 ASN N A 154 ASN CA A 154 ASN C A 155 TYR N 1.0 -33.1 28.9 PSI 187 187 A 154 ASN C A 155 TYR N A 155 TYR CA A 155 TYR C 1.0 -91.3 -48.0 PHI 188 188 A 155 TYR N A 155 TYR CA A 155 TYR C A 156 ASN N 1.0 110.2 162.8 PSI 189 189 A 156 ASN C A 157 PHE N A 157 PHE CA A 157 PHE C 1.0 -129.2 -23.9 PHI 190 190 A 157 PHE N A 157 PHE CA A 157 PHE C A 158 GLU N 1.0 102.7 152.0 PSI 191 191 A 157 PHE C A 158 GLU N A 158 GLU CA A 158 GLU C 1.0 -106.4 -42.1 PHI 192 192 A 158 GLU N A 158 GLU CA A 158 GLU C A 159 LYS N 1.0 -53.1 -13.1 PSI 193 193 A 159 LYS C A 160 PRO N A 160 PRO CA A 160 PRO C 1.0 -192.7 -62.2 PHI 194 194 A 160 PRO N A 160 PRO CA A 160 PRO C A 161 PHE N 1.0 98.5 188.4 PSI 195 195 A 160 PRO C A 161 PHE N A 161 PHE CA A 161 PHE C 1.0 -127.8 -69.4 PHI 196 196 A 161 PHE N A 161 PHE CA A 161 PHE C A 162 LEU N 1.0 89.2 170.3 PSI 197 197 A 163 TRP C A 164 LEU N A 164 LEU CA A 164 LEU C 1.0 -133.4 -59.0 PHI 198 198 A 164 LEU N A 164 LEU CA A 164 LEU C A 165 ALA N 1.0 -55.4 37.6 PSI 199 199 A 167 LYS C A 168 LEU N A 168 LEU CA A 168 LEU C 1.0 -89.6 -36.5 PHI 200 200 A 168 LEU N A 168 LEU CA A 168 LEU C A 169 ILE N 1.0 -63.8 -23.8 PSI 201 201 A 168 LEU C A 169 ILE N A 169 ILE CA A 169 ILE C 1.0 -129.5 -44.7 PHI 202 202 A 169 ILE N A 169 ILE CA A 169 ILE C A 170 GLY N 1.0 -71.8 -10.0 PSI 203 203 A 169 ILE C A 170 GLY N A 170 GLY CA A 170 GLY C 1.0 -178.2 -116.7 PHI 204 204 A 170 GLY N A 170 GLY CA A 170 GLY C A 171 ASP N 1.0 119.8 162.4 PSI 205 205 A 173 ASN C A 174 LEU N A 174 LEU CA A 174 LEU C 1.0 -109.7 -62.5 PHI 206 206 A 174 LEU N A 174 LEU CA A 174 LEU C A 175 GLU N 1.0 -50.9 16.8 PSI 207 207 A 177 VAL C A 178 ALA N A 178 ALA CA A 178 ALA C 1.0 38.3 78.3 PHI 208 208 A 178 ALA N A 178 ALA CA A 178 ALA C A 179 MET N 1.0 16.1 56.1 PSI 209 209 A 178 ALA C A 179 MET N A 179 MET CA A 179 MET C 1.0 -124.9 -76.8 PHI 210 210 A 179 MET N A 179 MET CA A 179 MET C A 180 PRO N 1.0 -27.3 24.7 PSI 211 211 A 179 MET C A 180 PRO N A 180 PRO CA A 180 PRO C 1.0 -89.5 -49.5 PHI 212 212 A 180 PRO N A 180 PRO CA A 180 PRO C A 181 ALA N 1.0 99.4 151.7 PSI 213 213 A 180 PRO C A 181 ALA N A 181 ALA CA A 181 ALA C 1.0 -134.2 -67.4 PHI 214 214 A 181 ALA N A 181 ALA CA A 181 ALA C A 182 LEU N 1.0 -74.1 19.3 PSI 215 215 A 182 LEU C A 183 ALA N A 183 ALA CA A 183 ALA C 1.0 -81.3 -41.3 PHI 216 216 A 183 ALA N A 183 ALA CA A 183 ALA C A 184 PRO N 1.0 -66.4 2.2 PSI 217 217 A 183 ALA C A 184 PRO N A 184 PRO CA A 184 PRO C 1.0 -94.3 -44.5 PHI 218 218 A 184 PRO N A 184 PRO CA A 184 PRO C A 185 PRO N 1.0 -77.8 7.7 PSI 219 219 A 185 PRO C A 186 GLU N A 186 GLU CA A 186 GLU C 1.0 -101.5 -38.8 PHI 220 220 A 186 GLU N A 186 GLU CA A 186 GLU C A 187 VAL N 1.0 -69.2 17.5 PSI 221 221 A 186 GLU C A 187 VAL N A 187 VAL CA A 187 VAL C 1.0 -100.0 -56.0 PHI 222 222 A 187 VAL N A 187 VAL CA A 187 VAL C A 188 VAL N 1.0 -57.9 4.6 PSI 223 223 A 189 MET N A 189 MET CA A 189 MET C A 190 ASP N 1.0 18.6 58.6 PSI 224 224 A 190 ASP C A 191 PRO N A 191 PRO CA A 191 PRO C 1.0 -139.6 -72.9 PHI 225 225 A 191 PRO N A 191 PRO CA A 191 PRO C A 192 ALA N 1.0 -31.8 31.5 PSI 226 226 A 192 ALA C A 193 LEU N A 193 LEU CA A 193 LEU C 1.0 -79.7 -39.7 PHI 227 227 A 193 LEU N A 193 LEU CA A 193 LEU C A 194 ALA N 1.0 -56.0 5.2 PSI 228 228 A 193 LEU C A 194 ALA N A 194 ALA CA A 194 ALA C 1.0 -109.8 -63.6 PHI 229 229 A 194 ALA N A 194 ALA CA A 194 ALA C A 195 ALA N 1.0 -68.7 11.9 PSI 230 230 A 196 GLN C A 197 TYR N A 197 TYR CA A 197 TYR C 1.0 -105.9 -40.0 PHI 231 231 A 197 TYR N A 197 TYR CA A 197 TYR C A 198 GLU N 1.0 -54.2 2.6 PSI 232 232 A 197 TYR C A 198 GLU N A 198 GLU CA A 198 GLU C 1.0 -116.8 -46.8 PHI 233 233 A 198 GLU N A 198 GLU CA A 198 GLU C A 199 HIS N 1.0 -57.2 -17.2 PSI 234 234 A 198 GLU C A 199 HIS N A 199 HIS CA A 199 HIS C 1.0 -81.9 -41.9 PHI 235 235 A 199 HIS N A 199 HIS CA A 199 HIS C A 200 ASP N 1.0 -60.9 -20.9 PSI 236 236 A 199 HIS C A 200 ASP N A 200 ASP CA A 200 ASP C 1.0 -88.4 -46.7 PHI 237 237 A 200 ASP N A 200 ASP CA A 200 ASP C A 201 LEU N 1.0 -55.6 -15.6 PSI 238 238 A 200 ASP C A 201 LEU N A 201 LEU CA A 201 LEU C 1.0 -101.7 -59.4 PHI 239 239 A 201 LEU N A 201 LEU CA A 201 LEU C A 202 GLU N 1.0 -59.7 6.2 PSI 240 240 A 201 LEU C A 202 GLU N A 202 GLU CA A 202 GLU C 1.0 -110.6 -33.8 PHI 241 241 A 202 GLU N A 202 GLU CA A 202 GLU C A 203 VAL N 1.0 -57.6 -17.6 PSI 242 242 A 204 ALA C A 205 GLN N A 205 GLN CA A 205 GLN C 1.0 -82.5 -42.5 PHI 243 243 A 205 GLN N A 205 GLN CA A 205 GLN C A 206 THR N 1.0 -64.5 -24.5 PSI 244 244 A 205 GLN C A 206 THR N A 206 THR CA A 206 THR C 1.0 -83.5 -40.2 PHI 245 245 A 206 THR N A 206 THR CA A 206 THR C A 207 THR N 1.0 -57.9 -14.6 PSI 246 246 A 207 THR C A 208 ALA N A 208 ALA CA A 208 ALA C 1.0 -84.5 -44.5 PHI 247 247 A 208 ALA N A 208 ALA CA A 208 ALA C A 209 LEU N 1.0 -55.8 -15.8 PSI 248 248 A 208 ALA C A 209 LEU N A 209 LEU CA A 209 LEU C 1.0 -87.2 -47.2 PHI 249 249 A 209 LEU N A 209 LEU CA A 209 LEU C A 210 PRO N 1.0 -37.6 2.9 PSI 250 250 A 210 PRO C A 211 ASP N A 211 ASP CA A 211 ASP C 1.0 -82.0 -35.8 PHI 251 251 A 211 ASP N A 211 ASP CA A 211 ASP C A 212 GLU N 1.0 -74.0 -1.8 PSI 252 252 A 211 ASP C A 212 GLU N A 212 GLU CA A 212 GLU C 1.0 -113.3 -40.7 PHI 253 253 A 212 GLU N A 212 GLU CA A 212 GLU C A 213 ASP N 1.0 -61.0 -5.5 PSI 254 254 A 212 GLU C A 213 ASP N A 213 ASP CA A 213 ASP C 1.0 -113.2 -39.0 PHI 255 255 A 213 ASP N A 213 ASP CA A 213 ASP C A 214 ASP N 1.0 -78.5 11.9 PSI 256 256 A 213 ASP C A 214 ASP N A 214 ASP CA A 214 ASP C 1.0 -125.6 -32.3 PHI 257 257 A 214 ASP N A 214 ASP CA A 214 ASP C A 215 ASP N 1.0 -63.4 -17.0 PSI 258 258 A 215 ASP N A 215 ASP CA A 215 ASP C A 216 LEU N 1.0 -21.5 18.5 PSI 259 259 A 215 ASP C A 216 LEU N A 216 LEU CA A 216 LEU C 1.0 -140.1 -44.5 PHI 260 260 A 216 LEU N A 216 LEU CA A 216 LEU C A 217 GLU N 1.0 109.6 149.6 PSI 261 261 A 216 LEU C A 217 GLU N A 217 GLU CA A 217 GLU C 1.0 -136.4 -37.8 PHI 262 262 A 217 GLU N A 217 GLU CA A 217 GLU C A 218 PHE N 1.0 74.1 201.7 PSI 263 263 A 217 GLU C A 218 PHE N A 218 PHE CA A 218 PHE C 1.0 -141.5 -51.1 PHI 264 264 A 218 PHE N A 218 PHE CA A 218 PHE C A 219 GLU N 1.0 -27.8 12.2 PSI stop_ save_