data_6606 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; backbone and side chain assignment for RPA70A from S.cerevisiae ; _BMRB_accession_number 6606 _BMRB_flat_file_name bmr6606.str _Entry_type original _Submission_date 2005-04-22 _Accession_date 2005-04-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'backbone and side chain assignment for RPA70A from S.cerevisiae' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Park Chin-Ju . . 2 Lee Joon-Hwa . . 3 Choi Byong-Seok . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 634 "13C chemical shifts" 317 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-08 update BMRB 'change the shift 33 HIS NE2 8.401 to HE2' 2005-10-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Assignment of the DNA Binding Domain A of RPA from S. cerevisiae' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16222565 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Park Chin-Ju . . 2 Lee Joon-Hwa . . 3 Choi Byong-Seok . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 33 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 75 _Page_last 75 _Year 2005 _Details . loop_ _Keyword nmr stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RPA70A from S.cervisiae' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA binding domain A of RPA70kDa subunit' $Replication_protein_A_polypeptide_from_S.cerevisiae stop_ _System_molecular_weight 13662 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details 'amino acid residues 181-294 of RPA70 from S.cerevisiae' save_ ######################## # Monomeric polymers # ######################## save_Replication_protein_A_polypeptide_from_S.cerevisiae _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common scRPA70A _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; TRPIFAIEQLSPYQNVWTIK ARVSYKGEIKTWHNQRGDGK LFNVNFLDTSGEIRATAFND FATKFNEILQEGKVYYVSKA KLQPAKPQFTNLTHPYELNL DRDTVIEECFDESN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 181 THR 2 182 ARG 3 183 PRO 4 184 ILE 5 185 PHE 6 186 ALA 7 187 ILE 8 188 GLU 9 189 GLN 10 190 LEU 11 191 SER 12 192 PRO 13 193 TYR 14 194 GLN 15 195 ASN 16 196 VAL 17 197 TRP 18 198 THR 19 199 ILE 20 200 LYS 21 201 ALA 22 202 ARG 23 203 VAL 24 204 SER 25 205 TYR 26 206 LYS 27 207 GLY 28 208 GLU 29 209 ILE 30 210 LYS 31 211 THR 32 212 TRP 33 213 HIS 34 214 ASN 35 215 GLN 36 216 ARG 37 217 GLY 38 218 ASP 39 219 GLY 40 220 LYS 41 221 LEU 42 222 PHE 43 223 ASN 44 224 VAL 45 225 ASN 46 226 PHE 47 227 LEU 48 228 ASP 49 229 THR 50 230 SER 51 231 GLY 52 232 GLU 53 233 ILE 54 234 ARG 55 235 ALA 56 236 THR 57 237 ALA 58 238 PHE 59 239 ASN 60 240 ASP 61 241 PHE 62 242 ALA 63 243 THR 64 244 LYS 65 245 PHE 66 246 ASN 67 247 GLU 68 248 ILE 69 249 LEU 70 250 GLN 71 251 GLU 72 252 GLY 73 253 LYS 74 254 VAL 75 255 TYR 76 256 TYR 77 257 VAL 78 258 SER 79 259 LYS 80 260 ALA 81 261 LYS 82 262 LEU 83 263 GLN 84 264 PRO 85 265 ALA 86 266 LYS 87 267 PRO 88 268 GLN 89 269 PHE 90 270 THR 91 271 ASN 92 272 LEU 93 273 THR 94 274 HIS 95 275 PRO 96 276 TYR 97 277 GLU 98 278 LEU 99 279 ASN 100 280 LEU 101 281 ASP 102 282 ARG 103 283 ASP 104 284 THR 105 285 VAL 106 286 ILE 107 287 GLU 108 288 GLU 109 289 CYS 110 290 PHE 111 291 ASP 112 292 GLU 113 293 SER 114 294 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1YNX "Solution Structure Of Dna Binding Domain A (Dbd-A) Of S.Cerevisiae Replication Protein A (Rpa)" 100.00 114 100.00 100.00 9.70e-79 DBJ GAA21426 "K7_Rfa1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 621 100.00 100.00 3.44e-74 EMBL CAA42420 "replication factor-A protein 1 [Saccharomyces cerevisiae]" 100.00 621 100.00 100.00 3.78e-74 EMBL CAY77656 "Rfa1p [Saccharomyces cerevisiae EC1118]" 100.00 621 100.00 100.00 3.44e-74 GB AAA34994 "single stranded DNA binding protein [Saccharomyces cerevisiae]" 100.00 621 100.00 100.00 3.78e-74 GB AAB27889 "BUF2 [Saccharomyces cerevisiae]" 100.00 621 100.00 100.00 3.78e-74 GB AAC04960 "Rfa1p: Subunit of replication factor RF-A [Saccharomyces cerevisiae]" 100.00 621 100.00 100.00 3.78e-74 GB AHY74368 "Rfa1p [Saccharomyces cerevisiae YJM993]" 100.00 621 100.00 100.00 3.44e-74 GB EDN59765 "RF-A [Saccharomyces cerevisiae YJM789]" 100.00 621 100.00 100.00 3.78e-74 REF NP_009404 "Rfa1p [Saccharomyces cerevisiae S288c]" 100.00 621 100.00 100.00 3.78e-74 REF XP_011102371 "rfa1p [Saccharomyces arboricola H-6]" 100.00 621 97.37 100.00 4.01e-73 SP P22336 "RecName: Full=Replication factor A protein 1; Short=RF-A protein 1; AltName: Full=DNA-binding protein BUF2; AltName: Full=Repli" 100.00 621 100.00 100.00 3.78e-74 TPG DAA06989 "TPA: replication factor A subunit protein RFA1 [Saccharomyces cerevisiae S288c]" 100.00 621 100.00 100.00 3.78e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Replication_protein_A_polypeptide_from_S.cerevisiae 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Replication_protein_A_polypeptide_from_S.cerevisiae 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM NaPi, 2mM DTT, 100mM NaCl, pH 7.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Replication_protein_A_polypeptide_from_S.cerevisiae 1 mM 0.5 1.5 '[U-13C; U-15N]' NaPi 20 mM . . . NaCl 100 mM . . . DTT 2 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '20mM NaPi, 2mM DTT, 100mM NaCl, pH 7.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Replication_protein_A_polypeptide_from_S.cerevisiae 1 mM 0.5 1.5 [U-15N] NaPi 20 mM . . . NaCl 100 mM . . . DTT 2 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer_Varian_Inova _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_2 save_ save_3-D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3-D CBCA(CO)NH' _Sample_label . save_ save_13C-edited_NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY-HSQC' _Sample_label . save_ save_HCCH-TOCSY-NNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY-NNH _Sample_label . save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_15N-Edited_NOESY_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-Edited NOESY_HSQC' _Sample_label . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_3-D_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name 3-D_CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-Edited_NOESY_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N-Edited_NOESY_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '20mM NaPi, 2mM DTT, 100mM NaCl, pH 7.0, 13C/15N labeled' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 300 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'DNA binding domain A of RPA70kDa subunit' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 181 1 THR CA C 62.54 . 1 2 181 1 THR CB C 70.24 . 1 3 182 2 ARG H H 8.186 . 1 4 182 2 ARG CA C 57.65 . 1 5 182 2 ARG CB C 32.85 . 1 6 182 2 ARG N N 124 . 1 7 183 3 PRO HA H 4.531 . 1 8 183 3 PRO HB2 H 2.143 . 2 9 183 3 PRO HB3 H 2.143 . 2 10 183 3 PRO C C 175.8 . 1 11 183 3 PRO CA C 63.07 . 1 12 183 3 PRO CB C 31.35 . 1 13 184 4 ILE H H 8.07 . 1 14 184 4 ILE HA H 4.531 . 1 15 184 4 ILE HB H 1.984 . 1 16 184 4 ILE HG12 H 1.575 . 1 17 184 4 ILE HG13 H 1.426 . 1 18 184 4 ILE HG2 H 0.9962 . 1 19 184 4 ILE HD1 H 0.8683 . 1 20 184 4 ILE C C 176.5 . 1 21 184 4 ILE CA C 59.45 . 1 22 184 4 ILE CB C 38.79 . 1 23 184 4 ILE N N 122.8 . 1 24 185 5 PHE H H 9.303 . 1 25 185 5 PHE HA H 4.673 . 1 26 185 5 PHE HB2 H 2.872 . 2 27 185 5 PHE HB3 H 2.871 . 2 28 185 5 PHE HD1 H 7.304 . 1 29 185 5 PHE HD2 H 7.285 . 1 30 185 5 PHE HE1 H 7.807 . 1 31 185 5 PHE HE2 H 7.8 . 1 32 185 5 PHE C C 174.8 . 1 33 185 5 PHE CA C 56.82 . 1 34 185 5 PHE CB C 42.28 . 1 35 185 5 PHE N N 129 . 1 36 186 6 ALA H H 8.476 . 1 37 186 6 ALA HA H 4.523 . 1 38 186 6 ALA HB H 1.526 . 1 39 186 6 ALA C C 171.6 . 1 40 186 6 ALA CA C 51.6 . 1 41 186 6 ALA CB C 19.75 . 1 42 186 6 ALA N N 124.7 . 1 43 187 7 ILE H H 10.59 . 1 44 187 7 ILE HA H 3.304 . 1 45 187 7 ILE HB H 1.764 . 1 46 187 7 ILE HG12 H 1.531 . 1 47 187 7 ILE HG13 H 1.533 . 1 48 187 7 ILE HG2 H 0.8525 . 1 49 187 7 ILE HD1 H 0.6088 . 1 50 187 7 ILE C C 168.5 . 1 51 187 7 ILE CA C 66.7 . 1 52 187 7 ILE CB C 38.03 . 1 53 187 7 ILE N N 127.5 . 1 54 188 8 GLU H H 8.858 . 1 55 188 8 GLU HA H 4.045 . 1 56 188 8 GLU HB2 H 1.848 . 1 57 188 8 GLU HB3 H 1.805 . 1 58 188 8 GLU HG2 H 2.174 . 1 59 188 8 GLU HG3 H 2.136 . 1 60 188 8 GLU C C 176.6 . 1 61 188 8 GLU CA C 58.62 . 1 62 188 8 GLU CB C 30.21 . 1 63 188 8 GLU N N 119.6 . 1 64 189 9 GLN H H 7.794 . 1 65 189 9 GLN HA H 4.309 . 1 66 189 9 GLN HB2 H 2.31 . 1 67 189 9 GLN HB3 H 2.211 . 1 68 189 9 GLN HG2 H 2.476 . 1 69 189 9 GLN HG3 H 2.476 . 1 70 189 9 GLN HE21 H 7.719 . 1 71 189 9 GLN HE22 H 6.812 . 1 72 189 9 GLN C C 168.5 . 1 73 189 9 GLN CA C 55.95 . 1 74 189 9 GLN CB C 30.99 . 1 75 189 9 GLN N N 115.1 . 1 76 189 9 GLN NE2 N 112.9 . 1 77 190 10 LEU H H 7.366 . 1 78 190 10 LEU HA H 3.677 . 1 79 190 10 LEU HB2 H 1.475 . 1 80 190 10 LEU HB3 H 1.441 . 1 81 190 10 LEU HG H 0.6372 . 1 82 190 10 LEU HD1 H 0.0816 . 2 83 190 10 LEU C C 175.7 . 1 84 190 10 LEU CA C 56.51 . 1 85 190 10 LEU CB C 42.71 . 1 86 190 10 LEU N N 119 . 1 87 191 11 SER H H 7.74 . 1 88 191 11 SER HA H 4.307 . 1 89 191 11 SER HB2 H 4.02 . 1 90 191 11 SER HB3 H 3.692 . 1 91 191 11 SER CA C 56 . 1 92 191 11 SER CB C 65.17 . 1 93 191 11 SER N N 115.1 . 1 94 192 12 PRO HA H 4.221 . 1 95 192 12 PRO HB2 H 1.618 . 2 96 192 12 PRO HB3 H 1.618 . 2 97 192 12 PRO C C 175 . 1 98 192 12 PRO CA C 64.09 . 1 99 192 12 PRO CB C 32.02 . 1 100 193 13 TYR H H 7.423 . 1 101 193 13 TYR HA H 4.443 . 1 102 193 13 TYR HB2 H 3.292 . 1 103 193 13 TYR HB3 H 2.66 . 1 104 193 13 TYR C C 175.4 . 1 105 193 13 TYR CA C 58.37 . 1 106 193 13 TYR CB C 38.17 . 1 107 193 13 TYR N N 115.4 . 1 108 194 14 GLN H H 7.18 . 1 109 194 14 GLN HA H 4.603 . 1 110 194 14 GLN HB2 H 2.021 . 1 111 194 14 GLN HB3 H 2.02 . 1 112 194 14 GLN HG2 H 2.254 . 1 113 194 14 GLN HG3 H 2.189 . 1 114 194 14 GLN HE21 H 7.5 . 1 115 194 14 GLN HE22 H 6.772 . 1 116 194 14 GLN C C 175.9 . 1 117 194 14 GLN CA C 58.6 . 1 118 194 14 GLN CB C 28.55 . 1 119 194 14 GLN N N 119.1 . 1 120 194 14 GLN NE2 N 111 . 1 121 195 15 ASN H H 8.412 . 1 122 195 15 ASN HA H 5.043 . 1 123 195 15 ASN HB2 H 2.86 . 1 124 195 15 ASN HB3 H 2.857 . 1 125 195 15 ASN HD21 H 7.57 . 1 126 195 15 ASN HD22 H 6.89 . 1 127 195 15 ASN C C 174.1 . 1 128 195 15 ASN CA C 55.36 . 1 129 195 15 ASN CB C 39.33 . 1 130 195 15 ASN N N 123.3 . 1 131 195 15 ASN ND2 N 112.5 . 1 132 196 16 VAL H H 8.028 . 1 133 196 16 VAL HA H 4.127 . 1 134 196 16 VAL HB H 2.023 . 1 135 196 16 VAL HG1 H 0.8816 . 2 136 196 16 VAL HG2 H 0.8776 . 2 137 196 16 VAL C C 171 . 1 138 196 16 VAL CA C 62.37 . 1 139 196 16 VAL CB C 33.26 . 1 140 196 16 VAL N N 120.1 . 1 141 197 17 TRP H H 7.044 . 1 142 197 17 TRP HA H 4.647 . 1 143 197 17 TRP HB2 H 2.608 . 1 144 197 17 TRP HB3 H 2.509 . 1 145 197 17 TRP HD1 H 6.784 . 1 146 197 17 TRP HE1 H 10.08 . 1 147 197 17 TRP HE3 H 7.722 . 1 148 197 17 TRP HZ2 H 7.351 . 1 149 197 17 TRP HZ3 H 6.778 . 1 150 197 17 TRP HH2 H 6.637 . 1 151 197 17 TRP C C 174.5 . 1 152 197 17 TRP CA C 56.16 . 1 153 197 17 TRP CB C 31.59 . 1 154 197 17 TRP N N 120.2 . 1 155 197 17 TRP NE1 N 130.3 . 1 156 198 18 THR H H 7.884 . 1 157 198 18 THR HA H 5.192 . 1 158 198 18 THR HB H 3.82 . 1 159 198 18 THR HG2 H 1.277 . 1 160 198 18 THR C C 173.9 . 1 161 198 18 THR CA C 63.04 . 1 162 198 18 THR CB C 73.09 . 1 163 198 18 THR N N 117.4 . 1 164 199 19 ILE H H 9.194 . 1 165 199 19 ILE HA H 5.402 . 1 166 199 19 ILE HB H 2.052 . 1 167 199 19 ILE HG12 H 1.649 . 1 168 199 19 ILE HG13 H 1.64 . 1 169 199 19 ILE HG2 H 0.9036 . 1 170 199 19 ILE HD1 H 0.3261 . 1 171 199 19 ILE C C 173.7 . 1 172 199 19 ILE CA C 60.3 . 1 173 199 19 ILE CB C 41.11 . 1 174 199 19 ILE N N 119.2 . 1 175 200 20 LYS H H 9.308 . 1 176 200 20 LYS HA H 5.069 . 1 177 200 20 LYS HB2 H 1.996 . 1 178 200 20 LYS HB3 H 1.637 . 1 179 200 20 LYS HG2 H 1.284 . 2 180 200 20 LYS HG3 H 1.284 . 2 181 200 20 LYS HD2 H 1.445 . 1 182 200 20 LYS HD3 H 1.436 . 1 183 200 20 LYS HE2 H 2.866 . 1 184 200 20 LYS HE3 H 2.864 . 1 185 200 20 LYS C C 174.8 . 1 186 200 20 LYS CA C 55.68 . 1 187 200 20 LYS CB C 34.99 . 1 188 200 20 LYS N N 125 . 1 189 201 21 ALA H H 9.105 . 1 190 201 21 ALA HA H 5.061 . 1 191 201 21 ALA HB H 1.295 . 1 192 201 21 ALA C C 175.7 . 1 193 201 21 ALA CA C 51 . 1 194 201 21 ALA CB C 25.21 . 1 195 201 21 ALA N N 127 . 1 196 202 22 ARG H H 9.29 . 1 197 202 22 ARG HA H 5.383 . 1 198 202 22 ARG HB2 H 1.809 . 1 199 202 22 ARG HB3 H 1.794 . 1 200 202 22 ARG HG2 H 1.43 . 1 201 202 22 ARG HG3 H 1.408 . 1 202 202 22 ARG HD2 H 3.12 . 2 203 202 22 ARG HD3 H 3.12 . 2 204 202 22 ARG C C 174.6 . 1 205 202 22 ARG CA C 54.29 . 1 206 202 22 ARG CB C 33.89 . 1 207 202 22 ARG N N 122.5 . 1 208 203 23 VAL H H 8.583 . 1 209 203 23 VAL HA H 4.507 . 1 210 203 23 VAL HB H 1.042 . 1 211 203 23 VAL HG1 H 0.832 . 2 212 203 23 VAL HG2 H 0.7076 . 2 213 203 23 VAL C C 173.6 . 1 214 203 23 VAL CA C 62.66 . 1 215 203 23 VAL CB C 31.13 . 1 216 203 23 VAL N N 124.8 . 1 217 204 24 SER H H 8.64 . 1 218 204 24 SER HA H 4.507 . 1 219 204 24 SER HB2 H 4.106 . 1 220 204 24 SER HB3 H 3.623 . 1 221 204 24 SER C C 175.1 . 1 222 204 24 SER CA C 58.91 . 1 223 204 24 SER CB C 64.02 . 1 224 204 24 SER N N 126.6 . 1 225 205 25 TYR H H 7.341 . 1 226 205 25 TYR HA H 4.639 . 1 227 205 25 TYR HB2 H 3.385 . 1 228 205 25 TYR HB3 H 2.217 . 1 229 205 25 TYR HD1 H 6.811 . 1 230 205 25 TYR HD2 H 6.811 . 1 231 205 25 TYR HE1 H 6.828 . 1 232 205 25 TYR HE2 H 6.569 . 1 233 205 25 TYR C C 172.4 . 1 234 205 25 TYR CA C 58.12 . 1 235 205 25 TYR CB C 42 . 1 236 205 25 TYR N N 122.7 . 1 237 206 26 LYS H H 8.4 . 1 238 206 26 LYS HA H 4.186 . 1 239 206 26 LYS HB2 H 1.836 . 1 240 206 26 LYS HB3 H 1.835 . 1 241 206 26 LYS HG2 H 1.216 . 1 242 206 26 LYS HG3 H 1.212 . 1 243 206 26 LYS HD2 H 0.723 . 1 244 206 26 LYS HD3 H 0.7161 . 1 245 206 26 LYS HE2 H 3.088 . 2 246 206 26 LYS HE3 H 3.088 . 2 247 206 26 LYS C C 173.9 . 1 248 206 26 LYS CA C 56 . 1 249 206 26 LYS CB C 36.14 . 1 250 206 26 LYS N N 129.5 . 1 251 207 27 GLY H H 8.197 . 1 252 207 27 GLY HA2 H 4.096 . 1 253 207 27 GLY HA3 H 3.919 . 1 254 207 27 GLY C C 174.2 . 1 255 207 27 GLY CA C 45.12 . 1 256 207 27 GLY N N 116 . 1 257 208 28 GLU H H 8.196 . 1 258 208 28 GLU HA H 4.496 . 1 259 208 28 GLU HB2 H 2.097 . 1 260 208 28 GLU HB3 H 1.936 . 1 261 208 28 GLU HG2 H 2.364 . 1 262 208 28 GLU HG3 H 2.363 . 1 263 208 28 GLU C C 177.3 . 1 264 208 28 GLU CA C 55.69 . 1 265 208 28 GLU CB C 31.5 . 1 266 208 28 GLU N N 117.3 . 1 267 209 29 ILE H H 8.615 . 1 268 209 29 ILE HA H 4.488 . 1 269 209 29 ILE HB H 1.77 . 1 270 209 29 ILE HG12 H 1.596 . 1 271 209 29 ILE HG13 H 1.588 . 1 272 209 29 ILE HG2 H 0.8551 . 1 273 209 29 ILE HD1 H 0.6491 . 1 274 209 29 ILE C C 176.3 . 1 275 209 29 ILE CA C 62.8 . 1 276 209 29 ILE CB C 37.7 . 1 277 209 29 ILE N N 122.6 . 1 278 210 30 LYS H H 9.134 . 1 279 210 30 LYS HA H 4.861 . 1 280 210 30 LYS HB2 H 1.843 . 1 281 210 30 LYS HB3 H 1.76 . 1 282 210 30 LYS HG2 H 1.585 . 1 283 210 30 LYS HG3 H 1.584 . 1 284 210 30 LYS HD2 H 2.015 . 1 285 210 30 LYS HD3 H 2.015 . 1 286 210 30 LYS C C 176 . 1 287 210 30 LYS CA C 54.86 . 1 288 210 30 LYS CB C 35.43 . 1 289 210 30 LYS N N 129.9 . 1 290 211 31 THR H H 8.508 . 1 291 211 31 THR HA H 5.002 . 1 292 211 31 THR HB H 4.111 . 1 293 211 31 THR HG2 H 1.129 . 1 294 211 31 THR C C 175.6 . 1 295 211 31 THR CA C 61.88 . 1 296 211 31 THR CB C 71.11 . 1 297 211 31 THR N N 115.2 . 1 298 212 32 TRP H H 8.166 . 1 299 212 32 TRP HA H 5.031 . 1 300 212 32 TRP HB2 H 3.174 . 1 301 212 32 TRP HB3 H 3.17 . 1 302 212 32 TRP HD1 H 6.957 . 1 303 212 32 TRP HE1 H 9.945 . 1 304 212 32 TRP HE3 H 7.354 . 1 305 212 32 TRP HZ2 H 7.443 . 1 306 212 32 TRP HH2 H 7.287 . 1 307 212 32 TRP C C 176.1 . 1 308 212 32 TRP CA C 56.7 . 1 309 212 32 TRP CB C 31.35 . 1 310 212 32 TRP N N 122.8 . 1 311 212 32 TRP NE1 N 129.2 . 1 312 213 33 HIS C C 120.8 . 1 313 213 33 HIS CA C 56.72 . 1 314 213 33 HIS CB C 30.98 . 1 315 213 33 HIS HE2 H 8.401 . 1 316 214 34 ASN H H 3.87 . 1 317 214 34 ASN C C 172.8 . 1 318 214 34 ASN CA C 55.67 . 1 319 214 34 ASN CB C 42.76 . 1 320 215 35 GLN H H 8.335 . 1 321 215 35 GLN HA H 4.104 . 1 322 215 35 GLN HB2 H 2.126 . 1 323 215 35 GLN HB3 H 2.127 . 1 324 215 35 GLN HG2 H 2.43 . 1 325 215 35 GLN HG3 H 2.396 . 1 326 215 35 GLN C C 174.7 . 1 327 215 35 GLN CA C 58.92 . 1 328 215 35 GLN CB C 28.84 . 1 329 215 35 GLN N N 121.1 . 1 330 216 36 ARG H H 8.312 . 1 331 216 36 ARG HA H 4.353 . 1 332 216 36 ARG HB2 H 1.983 . 1 333 216 36 ARG HB3 H 1.811 . 1 334 216 36 ARG HG2 H 1.622 . 1 335 216 36 ARG HG3 H 1.614 . 1 336 216 36 ARG C C 170.4 . 1 337 216 36 ARG CA C 56.66 . 1 338 216 36 ARG CB C 30.84 . 1 339 216 36 ARG N N 117.1 . 1 340 217 37 GLY H H 7.808 . 1 341 217 37 GLY HA2 H 4.344 . 1 342 217 37 GLY HA3 H 3.783 . 1 343 217 37 GLY C C 177.2 . 1 344 217 37 GLY CA C 45.57 . 1 345 217 37 GLY N N 108.9 . 1 346 218 38 ASP H H 8.14 . 1 347 218 38 ASP HA H 4.88 . 1 348 218 38 ASP HB2 H 2.541 . 1 349 218 38 ASP HB3 H 2.538 . 1 350 218 38 ASP CA C 53.63 . 1 351 218 38 ASP CB C 43.42 . 1 352 218 38 ASP N N 120 . 1 353 219 39 GLY H H 7.619 . 1 354 219 39 GLY HA2 H 4.113 . 1 355 219 39 GLY HA3 H 3.379 . 1 356 219 39 GLY C C 178.3 . 1 357 219 39 GLY CA C 45.41 . 1 358 219 39 GLY N N 108.6 . 1 359 220 40 LYS H H 8.144 . 1 360 220 40 LYS HA H 5.476 . 1 361 220 40 LYS HB2 H 1.699 . 1 362 220 40 LYS HB3 H 1.698 . 1 363 220 40 LYS HG2 H 1.385 . 1 364 220 40 LYS HG3 H 1.374 . 1 365 220 40 LYS HD2 H 1.519 . 1 366 220 40 LYS HD3 H 1.513 . 1 367 220 40 LYS C C 175.7 . 1 368 220 40 LYS CA C 55.24 . 1 369 220 40 LYS CB C 38.19 . 1 370 220 40 LYS N N 118.3 . 1 371 221 41 LEU H H 9.323 . 1 372 221 41 LEU HA H 5.293 . 1 373 221 41 LEU HB2 H 1.803 . 1 374 221 41 LEU HB3 H 1.716 . 1 375 221 41 LEU HG H 1.36 . 1 376 221 41 LEU HD1 H 0.8176 . 2 377 221 41 LEU HD2 H 0.6887 . 2 378 221 41 LEU C C 174.2 . 1 379 221 41 LEU CA C 55.44 . 1 380 221 41 LEU CB C 46.5 . 1 381 221 41 LEU N N 121.7 . 1 382 222 42 PHE H H 8.408 . 1 383 222 42 PHE HA H 5.026 . 1 384 222 42 PHE HB2 H 3.109 . 1 385 222 42 PHE HB3 H 2.75 . 1 386 222 42 PHE HD1 H 6.953 . 1 387 222 42 PHE HD2 H 6.95 . 1 388 222 42 PHE HE1 H 7.324 . 1 389 222 42 PHE HE2 H 7.309 . 1 390 222 42 PHE HZ H 7.137 . 1 391 222 42 PHE C C 171.6 . 1 392 222 42 PHE CA C 56.19 . 1 393 222 42 PHE CB C 44.35 . 1 394 222 42 PHE N N 122.3 . 1 395 223 43 ASN H H 8.183 . 1 396 223 43 ASN HA H 5.369 . 1 397 223 43 ASN HB2 H 2.578 . 1 398 223 43 ASN HB3 H 2.282 . 1 399 223 43 ASN HD21 H 7.411 . 1 400 223 43 ASN HD22 H 6.585 . 1 401 223 43 ASN C C 172.1 . 1 402 223 43 ASN CA C 52.14 . 1 403 223 43 ASN CB C 43.07 . 1 404 223 43 ASN N N 123.2 . 1 405 223 43 ASN ND2 N 112.8 . 1 406 224 44 VAL H H 8.514 . 1 407 224 44 VAL HA H 4.508 . 1 408 224 44 VAL HB H 0.7062 . 1 409 224 44 VAL HG1 H 0.373 . 2 410 224 44 VAL HG2 H 0.3054 . 2 411 224 44 VAL C C 172.4 . 1 412 224 44 VAL CA C 58.97 . 1 413 224 44 VAL CB C 35.78 . 1 414 224 44 VAL N N 114.6 . 1 415 225 45 ASN H H 8.516 . 1 416 225 45 ASN HA H 5.709 . 1 417 225 45 ASN HB2 H 3.051 . 1 418 225 45 ASN HB3 H 2.599 . 1 419 225 45 ASN HD21 H 7.197 . 1 420 225 45 ASN HD22 H 6.693 . 1 421 225 45 ASN C C 174 . 1 422 225 45 ASN CA C 51.44 . 1 423 225 45 ASN CB C 40.37 . 1 424 225 45 ASN N N 120.1 . 1 425 225 45 ASN ND2 N 108.7 . 1 426 226 46 PHE H H 9.016 . 1 427 226 46 PHE HA H 5.55 . 1 428 226 46 PHE HB2 H 2.87 . 1 429 226 46 PHE HB3 H 2.579 . 1 430 226 46 PHE HD1 H 6.882 . 1 431 226 46 PHE HD2 H 6.876 . 1 432 226 46 PHE C C 174.4 . 1 433 226 46 PHE CA C 56.2 . 1 434 226 46 PHE CB C 42.4 . 1 435 226 46 PHE N N 118.6 . 1 436 227 47 LEU H H 9.614 . 1 437 227 47 LEU HA H 5.372 . 1 438 227 47 LEU HB2 H 1.758 . 1 439 227 47 LEU HB3 H 1.672 . 1 440 227 47 LEU HG H 1.291 . 1 441 227 47 LEU HD1 H 0.9904 . 2 442 227 47 LEU HD2 H 0.8378 . 2 443 227 47 LEU C C 176.5 . 1 444 227 47 LEU CA C 55.23 . 1 445 227 47 LEU CB C 48.37 . 1 446 227 47 LEU N N 123.6 . 1 447 228 48 ASP H H 9.328 . 1 448 228 48 ASP HA H 5.074 . 1 449 228 48 ASP HB2 H 3.125 . 1 450 228 48 ASP HB3 H 3.119 . 1 451 228 48 ASP C C 175.3 . 1 452 228 48 ASP CA C 53.48 . 1 453 228 48 ASP CB C 42.69 . 1 454 228 48 ASP N N 129.4 . 1 455 229 49 THR H H 8.079 . 1 456 229 49 THR HA H 4.111 . 1 457 229 49 THR HB H 3.672 . 1 458 229 49 THR HG2 H 1.38 . 1 459 229 49 THR C C 174.8 . 1 460 229 49 THR CA C 65.09 . 1 461 229 49 THR CB C 69.4 . 1 462 229 49 THR N N 107.9 . 1 463 230 50 SER H H 9.413 . 1 464 230 50 SER HA H 4.695 . 1 465 230 50 SER HB2 H 3.87 . 1 466 230 50 SER HB3 H 3.867 . 1 467 230 50 SER C C 174.4 . 1 468 230 50 SER CA C 59.3 . 1 469 230 50 SER CB C 65.63 . 1 470 230 50 SER N N 119.4 . 1 471 231 51 GLY H H 7.815 . 1 472 231 51 GLY HA2 H 4.083 . 1 473 231 51 GLY HA3 H 4.32 . 1 474 231 51 GLY C C 169.1 . 1 475 231 51 GLY CA C 46.2 . 1 476 231 51 GLY N N 111.8 . 1 477 232 52 GLU H H 7.755 . 1 478 232 52 GLU HA H 5.752 . 1 479 232 52 GLU HB2 H 1.955 . 1 480 232 52 GLU HB3 H 1.949 . 1 481 232 52 GLU HG2 H 2.36 . 1 482 232 52 GLU HG3 H 2.353 . 1 483 232 52 GLU C C 174.2 . 1 484 232 52 GLU CA C 54.58 . 1 485 232 52 GLU CB C 35.17 . 1 486 232 52 GLU N N 119.4 . 1 487 233 53 ILE H H 9.327 . 1 488 233 53 ILE HA H 4.8 . 1 489 233 53 ILE HB H 1.74 . 1 490 233 53 ILE HG12 H 1.134 . 1 491 233 53 ILE HG13 H 0.983 . 1 492 233 53 ILE HG2 H 0.696 . 1 493 233 53 ILE HD1 H -0.2779 . 1 494 233 53 ILE C C 171.6 . 1 495 233 53 ILE CA C 59.88 . 1 496 233 53 ILE CB C 42.93 . 1 497 233 53 ILE N N 124.2 . 1 498 234 54 ARG H H 8.98 . 1 499 234 54 ARG HA H 4.893 . 1 500 234 54 ARG HB2 H 1.947 . 1 501 234 54 ARG HB3 H 1.942 . 1 502 234 54 ARG HG2 H 1.717 . 1 503 234 54 ARG HG3 H 1.711 . 1 504 234 54 ARG HD2 H 3.102 . 1 505 234 54 ARG HD3 H 3.481 . 1 506 234 54 ARG CA C 54.92 . 1 507 234 54 ARG CB C 30.47 . 1 508 234 54 ARG N N 129.2 . 1 509 235 55 ALA H H 9.455 . 1 510 235 55 ALA HA H 5.581 . 1 511 235 55 ALA HB H 1.175 . 1 512 235 55 ALA C C 179.2 . 1 513 235 55 ALA CA C 49.54 . 1 514 235 55 ALA CB C 24.32 . 1 515 235 55 ALA N N 126.8 . 1 516 236 56 THR H H 8.369 . 1 517 236 56 THR HA H 5.164 . 1 518 236 56 THR HB H 3.567 . 1 519 236 56 THR HG2 H 0.6874 . 1 520 236 56 THR C C 176 . 1 521 236 56 THR CA C 61 . 1 522 236 56 THR CB C 72.34 . 1 523 236 56 THR N N 114.9 . 1 524 237 57 ALA H H 8.575 . 1 525 237 57 ALA HA H 5.012 . 1 526 237 57 ALA HB H 1.5 . 1 527 237 57 ALA C C 175.3 . 1 528 237 57 ALA CA C 50.62 . 1 529 237 57 ALA CB C 25.21 . 1 530 237 57 ALA N N 125.8 . 1 531 238 58 PHE H H 9.314 . 1 532 238 58 PHE HA H 5.468 . 1 533 238 58 PHE HB2 H 3.317 . 1 534 238 58 PHE HB3 H 3.095 . 1 535 238 58 PHE HD1 H 7.31 . 1 536 238 58 PHE HD2 H 7.306 . 1 537 238 58 PHE HE1 H 7.12 . 1 538 238 58 PHE HE2 H 7.115 . 1 539 238 58 PHE C C 175.9 . 1 540 238 58 PHE CA C 57.12 . 1 541 238 58 PHE CB C 43.16 . 1 542 238 58 PHE N N 119.1 . 1 543 239 59 ASN H H 9.612 . 1 544 239 59 ASN HA H 4.34 . 1 545 239 59 ASN HB2 H 1.69 . 1 546 239 59 ASN HB3 H 1.402 . 1 547 239 59 ASN HD21 H 7.521 . 1 548 239 59 ASN HD22 H 6.828 . 1 549 239 59 ASN CA C 55.56 . 1 550 239 59 ASN CB C 42.9 . 1 551 239 59 ASN N N 121 . 1 552 239 59 ASN ND2 N 112.9 . 1 553 240 60 ASP HA H 4.319 . 1 554 240 60 ASP HB2 H 2.361 . 1 555 240 60 ASP HB3 H 2.148 . 1 556 240 60 ASP C C 178.3 . 1 557 240 60 ASP CA C 57.6 . 1 558 240 60 ASP CB C 39.62 . 1 559 241 61 PHE H H 8.14 . 1 560 241 61 PHE HA H 4.09 . 1 561 241 61 PHE HB2 H 3.547 . 1 562 241 61 PHE HB3 H 3.541 . 1 563 241 61 PHE HD1 H 7.059 . 1 564 241 61 PHE HD2 H 7.059 . 1 565 241 61 PHE HE1 H 7.53 . 1 566 241 61 PHE HE2 H 7.53 . 1 567 241 61 PHE C C 177.3 . 1 568 241 61 PHE CA C 61.52 . 1 569 241 61 PHE CB C 38.13 . 1 570 241 61 PHE N N 117.1 . 1 571 242 62 ALA H H 7.359 . 1 572 242 62 ALA HA H 4.054 . 1 573 242 62 ALA HB H 1.428 . 1 574 242 62 ALA C C 177.9 . 1 575 242 62 ALA CA C 55.66 . 1 576 242 62 ALA CB C 18.41 . 1 577 242 62 ALA N N 124.7 . 1 578 243 63 THR H H 7.06 . 1 579 243 63 THR HA H 3.565 . 1 580 243 63 THR HB H 4.044 . 1 581 243 63 THR HG2 H 1.138 . 1 582 243 63 THR C C 176.5 . 1 583 243 63 THR CA C 66.14 . 1 584 243 63 THR CB C 68.79 . 1 585 243 63 THR N N 111.3 . 1 586 244 64 LYS H H 7.374 . 1 587 244 64 LYS HA H 3.879 . 1 588 244 64 LYS HB2 H 1.68 . 1 589 244 64 LYS HB3 H 1.943 . 1 590 244 64 LYS HG2 H 1.281 . 1 591 244 64 LYS HG3 H 1.282 . 1 592 244 64 LYS HD2 H 1.508 . 1 593 244 64 LYS HD3 H 1.444 . 1 594 244 64 LYS HE2 H 2.735 . 1 595 244 64 LYS HE3 H 2.726 . 1 596 244 64 LYS C C 179.2 . 1 597 244 64 LYS CA C 59.61 . 1 598 244 64 LYS CB C 33.82 . 1 599 244 64 LYS N N 119.6 . 1 600 245 65 PHE H H 8.367 . 1 601 245 65 PHE HA H 4.511 . 1 602 245 65 PHE HB2 H 3.161 . 1 603 245 65 PHE HB3 H 2.894 . 1 604 245 65 PHE C C 177 . 1 605 245 65 PHE CA C 62.06 . 1 606 245 65 PHE CB C 37.42 . 1 607 245 65 PHE N N 114.4 . 1 608 247 67 GLU HB2 H 2.059 . 1 609 247 67 GLU HB3 H 2.056 . 1 610 247 67 GLU HG2 H 2.365 . 1 611 247 67 GLU HG3 H 2.363 . 1 612 248 68 ILE H H 6.984 . 1 613 248 68 ILE HA H 4.071 . 1 614 248 68 ILE HB H 1.823 . 1 615 248 68 ILE HG12 H 1.285 . 1 616 248 68 ILE HG13 H 0.9929 . 1 617 248 68 ILE HG2 H 0.8885 . 1 618 248 68 ILE HD1 H 0.636 . 1 619 248 68 ILE C C 175 . 1 620 248 68 ILE CA C 63.7 . 1 621 248 68 ILE CB C 41.22 . 1 622 248 68 ILE N N 115 . 1 623 249 69 LEU H H 7.638 . 1 624 249 69 LEU HA H 4.092 . 1 625 249 69 LEU HB2 H 2.014 . 1 626 249 69 LEU HB3 H 1.689 . 1 627 249 69 LEU HG H 0.9935 . 1 628 249 69 LEU HD1 H 0.8749 . 2 629 249 69 LEU HD2 H 0.1177 . 2 630 249 69 LEU C C 175 . 1 631 249 69 LEU CA C 55.1 . 1 632 249 69 LEU CB C 43.58 . 1 633 249 69 LEU N N 117.6 . 1 634 250 70 GLN H H 8.424 . 1 635 250 70 GLN HA H 4.59 . 1 636 250 70 GLN HB2 H 1.894 . 1 637 250 70 GLN HB3 H 1.889 . 1 638 250 70 GLN HG2 H 2.428 . 1 639 250 70 GLN HG3 H 2.386 . 1 640 250 70 GLN HE21 H 7.189 . 1 641 250 70 GLN HE22 H 6.903 . 1 642 250 70 GLN C C 175.5 . 1 643 250 70 GLN CA C 54.16 . 1 644 250 70 GLN CB C 31.34 . 1 645 250 70 GLN N N 120.3 . 1 646 250 70 GLN NE2 N 112.8 . 1 647 251 71 GLU H H 8.956 . 1 648 251 71 GLU HA H 3.8 . 1 649 251 71 GLU HB2 H 1.91 . 1 650 251 71 GLU HB3 H 1.911 . 1 651 251 71 GLU HG2 H 2.173 . 1 652 251 71 GLU HG3 H 2.073 . 1 653 251 71 GLU C C 177.4 . 1 654 251 71 GLU CA C 58.92 . 1 655 251 71 GLU CB C 30.36 . 1 656 251 71 GLU N N 123.1 . 1 657 252 72 GLY H H 9.162 . 1 658 252 72 GLY HA2 H 3.75 . 1 659 252 72 GLY HA3 H 4.425 . 1 660 252 72 GLY C C 174 . 1 661 252 72 GLY CA C 45.96 . 1 662 252 72 GLY N N 112.9 . 1 663 253 73 LYS H H 7.589 . 1 664 253 73 LYS HA H 4.575 . 1 665 253 73 LYS HB2 H 2.326 . 1 666 253 73 LYS HB3 H 2.32 . 1 667 253 73 LYS HG2 H 1.254 . 1 668 253 73 LYS HG3 H 1.252 . 1 669 253 73 LYS HD2 H 1.464 . 1 670 253 73 LYS HD3 H 1.454 . 1 671 253 73 LYS HE2 H 2.96 . 1 672 253 73 LYS HE3 H 2.954 . 1 673 253 73 LYS C C 174 . 1 674 253 73 LYS CA C 56.03 . 1 675 253 73 LYS CB C 33.98 . 1 676 253 73 LYS N N 120.7 . 1 677 254 74 VAL H H 7.991 . 1 678 254 74 VAL HA H 4.594 . 1 679 254 74 VAL HB H 1.638 . 1 680 254 74 VAL HG1 H 0.7958 . 2 681 254 74 VAL HG2 H 0.6088 . 2 682 254 74 VAL C C 174 . 1 683 254 74 VAL CA C 61.51 . 1 684 254 74 VAL CB C 33.43 . 1 685 254 74 VAL N N 120.2 . 1 686 255 75 TYR H H 8.927 . 1 687 255 75 TYR HA H 4.789 . 1 688 255 75 TYR HB2 H 2.295 . 1 689 255 75 TYR HB3 H 2.279 . 1 690 255 75 TYR HD1 H 6.915 . 1 691 255 75 TYR HD2 H 6.91 . 1 692 255 75 TYR HE1 H 6.806 . 1 693 255 75 TYR HE2 H 6.8 . 1 694 255 75 TYR C C 175.4 . 1 695 255 75 TYR CA C 57.39 . 1 696 255 75 TYR CB C 43.44 . 1 697 255 75 TYR N N 123 . 1 698 256 76 TYR H H 9.267 . 1 699 256 76 TYR HA H 5.791 . 1 700 256 76 TYR HB2 H 2.86 . 1 701 256 76 TYR HB3 H 2.843 . 1 702 256 76 TYR HD1 H 6.927 . 1 703 256 76 TYR HD2 H 6.934 . 1 704 256 76 TYR HE1 H 6.796 . 1 705 256 76 TYR HE2 H 6.79 . 1 706 256 76 TYR C C 176.7 . 1 707 256 76 TYR CA C 57.32 . 1 708 256 76 TYR CB C 39.66 . 1 709 256 76 TYR N N 119 . 1 710 257 77 VAL H H 8.546 . 1 711 257 77 VAL HA H 4.783 . 1 712 257 77 VAL HB H 1.277 . 1 713 257 77 VAL HG1 H 0.4977 . 2 714 257 77 VAL HG2 H 0.1932 . 2 715 257 77 VAL CA C 62.26 . 1 716 257 77 VAL CB C 34.31 . 1 717 257 77 VAL N N 123.3 . 1 718 258 78 SER H H 8.516 . 1 719 258 78 SER HA H 4.297 . 1 720 258 78 SER HB2 H 3.72 . 1 721 258 78 SER HB3 H 3.508 . 1 722 258 78 SER C C 169.6 . 1 723 258 78 SER CA C 57.2 . 1 724 258 78 SER CB C 66.59 . 1 725 258 78 SER N N 118.3 . 1 726 259 79 LYS H H 7.652 . 1 727 259 79 LYS HA H 3.319 . 1 728 259 79 LYS HB2 H 1.956 . 1 729 259 79 LYS HB3 H 1.766 . 1 730 259 79 LYS HG2 H 1.159 . 1 731 259 79 LYS HG3 H 1.154 . 1 732 259 79 LYS HD2 H 1.6 . 1 733 259 79 LYS HD3 H 1.596 . 1 734 259 79 LYS C C 175.2 . 1 735 259 79 LYS CA C 58.25 . 1 736 259 79 LYS CB C 29.29 . 1 737 259 79 LYS N N 115.1 . 1 738 260 80 ALA H H 6.102 . 1 739 260 80 ALA HA H 4.785 . 1 740 260 80 ALA HB H 1.309 . 1 741 260 80 ALA C C 176 . 1 742 260 80 ALA CA C 51.08 . 1 743 260 80 ALA CB C 22.69 . 1 744 260 80 ALA N N 118.7 . 1 745 261 81 LYS H H 8.101 . 1 746 261 81 LYS HA H 4.588 . 1 747 261 81 LYS HB2 H 1.897 . 1 748 261 81 LYS HB3 H 1.886 . 1 749 261 81 LYS HG2 H 1.485 . 1 750 261 81 LYS HG3 H 1.484 . 1 751 261 81 LYS HD2 H 1.602 . 1 752 261 81 LYS HD3 H 1.596 . 1 753 261 81 LYS HE2 H 3.035 . 1 754 261 81 LYS HE3 H 3.039 . 1 755 261 81 LYS C C 176.4 . 1 756 261 81 LYS CA C 55.53 . 1 757 261 81 LYS CB C 34.03 . 1 758 261 81 LYS N N 119.8 . 1 759 262 82 LEU H H 8.661 . 1 760 262 82 LEU HA H 5.062 . 1 761 262 82 LEU HB2 H 1.372 . 1 762 262 82 LEU HB3 H 1.338 . 1 763 262 82 LEU HG H 1.072 . 1 764 262 82 LEU HD1 H 0.3884 . 2 765 262 82 LEU HD2 H 0.2112 . 2 766 262 82 LEU C C 176.8 . 1 767 262 82 LEU CA C 55.19 . 1 768 262 82 LEU CB C 44.41 . 1 769 262 82 LEU N N 124.9 . 1 770 263 83 GLN H H 9.032 . 1 771 263 83 GLN HA H 5.116 . 1 772 263 83 GLN HB2 H 1.906 . 1 773 263 83 GLN HB3 H 1.895 . 1 774 263 83 GLN HG2 H 2.242 . 1 775 263 83 GLN HG3 H 2.179 . 1 776 263 83 GLN HE21 H 7.546 . 1 777 263 83 GLN HE22 H 6.748 . 1 778 263 83 GLN CA C 52.88 . 1 779 263 83 GLN CB C 30.77 . 1 780 263 83 GLN N N 120.6 . 1 781 263 83 GLN NE2 N 111.4 . 1 782 264 84 PRO HA H 4.512 . 1 783 264 84 PRO HB2 H 2.446 . 1 784 264 84 PRO HB3 H 1.938 . 1 785 264 84 PRO HG2 H 2.27 . 1 786 264 84 PRO HG3 H 2.268 . 1 787 264 84 PRO HD2 H 3.99 . 1 788 264 84 PRO HD3 H 3.724 . 1 789 264 84 PRO C C 176.3 . 1 790 264 84 PRO CA C 64.18 . 1 791 264 84 PRO CB C 32.45 . 1 792 265 85 ALA H H 8.326 . 1 793 265 85 ALA HA H 4.076 . 1 794 265 85 ALA HB H 1.229 . 1 795 265 85 ALA C C 174.1 . 1 796 265 85 ALA CA C 52.42 . 1 797 265 85 ALA CB C 21.23 . 1 798 265 85 ALA N N 125.7 . 1 799 266 86 LYS H H 8.34 . 1 800 266 86 LYS HA H 4.764 . 1 801 266 86 LYS HB2 H 1.989 . 1 802 266 86 LYS HB3 H 1.983 . 1 803 266 86 LYS HG2 H 1.519 . 1 804 266 86 LYS HG3 H 1.422 . 1 805 266 86 LYS HD2 H 1.732 . 1 806 266 86 LYS HD3 H 1.733 . 1 807 266 86 LYS HE2 H 3.01 . 1 808 266 86 LYS HE3 H 3.01 . 1 809 266 86 LYS CA C 56.86 . 1 810 266 86 LYS CB C 32.66 . 1 811 266 86 LYS N N 121.1 . 1 812 267 87 PRO HA H 4.483 . 1 813 267 87 PRO HB2 H 1.607 . 1 814 267 87 PRO HB3 H 1.605 . 1 815 267 87 PRO HD2 H 3.767 . 1 816 267 87 PRO HD3 H 3.569 . 1 817 267 87 PRO C C 172.3 . 1 818 267 87 PRO CA C 64.68 . 1 819 267 87 PRO CB C 32.35 . 1 820 268 88 GLN H H 8.974 . 1 821 268 88 GLN HA H 4.091 . 1 822 268 88 GLN HB2 H 1.744 . 1 823 268 88 GLN HB3 H 1.738 . 1 824 268 88 GLN HG2 H 1.951 . 1 825 268 88 GLN HG3 H 1.968 . 1 826 268 88 GLN C C 173.6 . 1 827 268 88 GLN CA C 57.85 . 1 828 268 88 GLN CB C 28.17 . 1 829 268 88 GLN N N 118.9 . 1 830 268 88 GLN NE2 N 112.3 . 1 831 270 90 THR H H 7.64 . 1 832 270 90 THR HA H 4.355 . 1 833 270 90 THR HB H 4.479 . 1 834 270 90 THR HG2 H 1.142 . 1 835 270 90 THR C C 176 . 1 836 270 90 THR CA C 61.98 . 1 837 270 90 THR CB C 70.74 . 1 838 270 90 THR N N 110.3 . 1 839 271 91 ASN H H 8.499 . 1 840 271 91 ASN HA H 4.498 . 1 841 271 91 ASN HB2 H 2.873 . 1 842 271 91 ASN HB3 H 2.689 . 1 843 271 91 ASN HD21 H 7.447 . 1 844 271 91 ASN HD22 H 6.763 . 1 845 271 91 ASN C C 174.4 . 1 846 271 91 ASN CA C 54.62 . 1 847 271 91 ASN CB C 38.56 . 1 848 271 91 ASN N N 117.2 . 1 849 271 91 ASN ND2 N 112.5 . 1 850 272 92 LEU H H 7.964 . 1 851 272 92 LEU HA H 4.757 . 1 852 272 92 LEU HB2 H 1.746 . 1 853 272 92 LEU HB3 H 1.703 . 1 854 272 92 LEU HG H 1.537 . 1 855 272 92 LEU HD1 H 1.146 . 2 856 272 92 LEU HD2 H 0.7494 . 2 857 272 92 LEU C C 178.7 . 1 858 272 92 LEU CA C 54.7 . 1 859 272 92 LEU CB C 43.4 . 1 860 272 92 LEU N N 119.9 . 1 861 273 93 THR H H 8.404 . 1 862 273 93 THR HA H 4.34 . 1 863 273 93 THR HB H 4.469 . 1 864 273 93 THR HG2 H 1.167 . 1 865 273 93 THR C C 175 . 1 866 273 93 THR CA C 62.18 . 1 867 273 93 THR CB C 69.74 . 1 868 273 93 THR N N 111.9 . 1 869 274 94 HIS H H 7.649 . 1 870 274 94 HIS HA H 4.381 . 1 871 274 94 HIS HB2 H 3.579 . 1 872 274 94 HIS HB3 H 3.283 . 1 873 274 94 HIS HD2 H 6.783 . 1 874 274 94 HIS HE1 H 7.686 . 1 875 274 94 HIS CA C 57.58 . 1 876 274 94 HIS CB C 31.73 . 1 877 274 94 HIS N N 127.1 . 1 878 275 95 PRO HA H 4.239 . 1 879 275 95 PRO HB2 H 2.08 . 1 880 275 95 PRO HB3 H 2.077 . 1 881 275 95 PRO HD2 H 3.302 . 1 882 275 95 PRO HD3 H 3.053 . 1 883 275 95 PRO C C 176.8 . 1 884 275 95 PRO CA C 64.28 . 1 885 275 95 PRO CB C 31.87 . 1 886 276 96 TYR H H 11.13 . 1 887 276 96 TYR HA H 5.322 . 1 888 276 96 TYR HB2 H 3.133 . 1 889 276 96 TYR HB3 H 3.124 . 1 890 276 96 TYR HD1 H 7.009 . 1 891 276 96 TYR HD2 H 7.011 . 1 892 276 96 TYR HE1 H 6.818 . 1 893 276 96 TYR HE2 H 6.812 . 1 894 276 96 TYR C C 172.7 . 1 895 276 96 TYR CA C 57.47 . 1 896 276 96 TYR CB C 43.59 . 1 897 276 96 TYR N N 122.1 . 1 898 277 97 GLU H H 9.039 . 1 899 277 97 GLU HA H 4.663 . 1 900 277 97 GLU HB2 H 1.981 . 1 901 277 97 GLU HB3 H 1.973 . 1 902 277 97 GLU HG2 H 2.47 . 1 903 277 97 GLU HG3 H 2.459 . 1 904 277 97 GLU C C 175.4 . 1 905 277 97 GLU CA C 54.47 . 1 906 277 97 GLU CB C 34.94 . 1 907 277 97 GLU N N 115.8 . 1 908 278 98 LEU H H 9.028 . 1 909 278 98 LEU HA H 5.352 . 1 910 278 98 LEU HB2 H 1.782 . 1 911 278 98 LEU HB3 H 1.692 . 1 912 278 98 LEU HG H 1.49 . 1 913 278 98 LEU HD1 H 1.135 . 2 914 278 98 LEU HD2 H 0.6352 . 2 915 278 98 LEU C C 177.3 . 1 916 278 98 LEU CA C 53.57 . 1 917 278 98 LEU CB C 45.41 . 1 918 278 98 LEU N N 117.2 . 1 919 279 99 ASN H H 9.337 . 1 920 279 99 ASN HA H 5.499 . 1 921 279 99 ASN HB2 H 2.752 . 1 922 279 99 ASN HB3 H 2.629 . 1 923 279 99 ASN HD21 H 7.179 . 1 924 279 99 ASN HD22 H 6.837 . 1 925 279 99 ASN C C 174.5 . 1 926 279 99 ASN CA C 52.31 . 1 927 279 99 ASN CB C 40.98 . 1 928 279 99 ASN N N 121.8 . 1 929 279 99 ASN ND2 N 109 . 1 930 280 100 LEU H H 8.575 . 1 931 280 100 LEU HA H 4.513 . 1 932 280 100 LEU HB2 H 1.785 . 1 933 280 100 LEU HB3 H 1.785 . 1 934 280 100 LEU HG H 1.488 . 1 935 280 100 LEU HD1 H 0.5321 . 2 936 280 100 LEU HD2 H 0.342 . 2 937 280 100 LEU C C 174.6 . 1 938 280 100 LEU CA C 53.49 . 1 939 280 100 LEU CB C 40.43 . 1 940 280 100 LEU N N 124.4 . 1 941 281 101 ASP H H 8.484 . 1 942 281 101 ASP HA H 4.073 . 1 943 281 101 ASP HB2 H 2.896 . 1 944 281 101 ASP HB3 H 2.505 . 1 945 281 101 ASP C C 175.6 . 1 946 281 101 ASP CA C 52.44 . 1 947 281 101 ASP CB C 42.8 . 1 948 281 101 ASP N N 127 . 1 949 282 102 ARG H H 7.546 . 1 950 282 102 ARG HA H 3.812 . 1 951 282 102 ARG HB2 H 1.999 . 1 952 282 102 ARG HB3 H 1.759 . 1 953 282 102 ARG HG2 H 1.621 . 1 954 282 102 ARG HG3 H 1.622 . 1 955 282 102 ARG HD2 H 3.287 . 1 956 282 102 ARG HD3 H 3.287 . 1 957 282 102 ARG C C 176.4 . 1 958 282 102 ARG CA C 59.01 . 1 959 282 102 ARG CB C 30.76 . 1 960 282 102 ARG N N 116.4 . 1 961 283 103 ASP H H 7.969 . 1 962 283 103 ASP HA H 4.353 . 1 963 283 103 ASP HB2 H 2.714 . 1 964 283 103 ASP HB3 H 2.668 . 1 965 283 103 ASP C C 175.7 . 1 966 283 103 ASP CA C 55.26 . 1 967 283 103 ASP CB C 42.57 . 1 968 283 103 ASP N N 117.7 . 1 969 284 104 THR H H 7.535 . 1 970 284 104 THR HA H 4.05 . 1 971 284 104 THR HB H 4.232 . 1 972 284 104 THR HG2 H 0.9794 . 1 973 284 104 THR C C 174 . 1 974 284 104 THR CA C 64.8 . 1 975 284 104 THR CB C 69.19 . 1 976 284 104 THR N N 115.9 . 1 977 285 105 VAL H H 8.581 . 1 978 285 105 VAL HA H 4.297 . 1 979 285 105 VAL HB H 1.901 . 1 980 285 105 VAL HG1 H 0.9787 . 2 981 285 105 VAL HG2 H 0.9532 . 2 982 285 105 VAL C C 174.8 . 1 983 285 105 VAL CA C 62.45 . 1 984 285 105 VAL CB C 34.4 . 1 985 285 105 VAL N N 129.1 . 1 986 286 106 ILE H H 8.63 . 1 987 286 106 ILE HA H 5.25 . 1 988 286 106 ILE HB H 1.85 . 1 989 286 106 ILE HG12 H 1.525 . 1 990 286 106 ILE HG13 H 1.167 . 1 991 286 106 ILE HG2 H 0.9048 . 1 992 286 106 ILE HD1 H 0.5337 . 1 993 286 106 ILE C C 176.2 . 1 994 286 106 ILE CA C 60.36 . 1 995 286 106 ILE CB C 40.34 . 1 996 286 106 ILE N N 127.5 . 1 997 287 107 GLU H H 9.079 . 1 998 287 107 GLU HA H 4.91 . 1 999 287 107 GLU HB2 H 2.273 . 1 1000 287 107 GLU HB3 H 2.118 . 1 1001 287 107 GLU HG2 H 2.854 . 1 1002 287 107 GLU HG3 H 2.854 . 1 1003 287 107 GLU C C 175 . 1 1004 287 107 GLU CA C 54.68 . 1 1005 287 107 GLU CB C 34.67 . 1 1006 287 107 GLU N N 127.1 . 1 1007 288 108 GLU H H 9.272 . 1 1008 288 108 GLU HA H 3.891 . 1 1009 288 108 GLU HB2 H 1.917 . 1 1010 288 108 GLU HB3 H 1.65 . 1 1011 288 108 GLU HG2 H 2.273 . 1 1012 288 108 GLU HG3 H 2.268 . 1 1013 288 108 GLU C C 174.5 . 1 1014 288 108 GLU CA C 58.35 . 1 1015 288 108 GLU CB C 30.08 . 1 1016 288 108 GLU N N 126.8 . 1 1017 289 109 CYS H H 8.267 . 1 1018 289 109 CYS HA H 4.363 . 1 1019 289 109 CYS HB2 H 2.868 . 1 1020 289 109 CYS HB3 H 2.868 . 1 1021 289 109 CYS C C 168.7 . 1 1022 289 109 CYS CA C 58.08 . 1 1023 289 109 CYS CB C 27.82 . 1 1024 289 109 CYS N N 124.6 . 1 1025 290 110 PHE H H 8.77 . 1 1026 290 110 PHE HA H 4.756 . 1 1027 290 110 PHE HB2 H 3.36 . 1 1028 290 110 PHE HB3 H 2.875 . 1 1029 290 110 PHE HD1 H 7.268 . 1 1030 290 110 PHE HD2 H 6.917 . 1 1031 290 110 PHE HE1 H 6.79 . 1 1032 290 110 PHE HE2 H 6.79 . 1 1033 290 110 PHE C C 174.7 . 1 1034 290 110 PHE CA C 58.21 . 1 1035 290 110 PHE CB C 39.88 . 1 1036 290 110 PHE N N 127.4 . 1 1037 291 111 ASP H H 8.143 . 1 1038 291 111 ASP HA H 4.604 . 1 1039 291 111 ASP HB2 H 2.741 . 1 1040 291 111 ASP HB3 H 2.606 . 1 1041 291 111 ASP C C 176.2 . 1 1042 291 111 ASP CA C 55.01 . 1 1043 291 111 ASP CB C 41.85 . 1 1044 291 111 ASP N N 121.6 . 1 1045 292 112 GLU H H 8.448 . 1 1046 292 112 GLU HA H 4.351 . 1 1047 292 112 GLU HB2 H 1.938 . 1 1048 292 112 GLU HB3 H 1.918 . 1 1049 292 112 GLU HG2 H 2.258 . 1 1050 292 112 GLU HG3 H 2.132 . 1 1051 292 112 GLU C C 168.2 . 1 1052 292 112 GLU CA C 57.34 . 1 1053 292 112 GLU CB C 30.48 . 1 1054 292 112 GLU N N 121.3 . 1 1055 293 113 SER H H 8.329 . 1 1056 293 113 SER HA H 4.471 . 1 1057 293 113 SER HB2 H 3.876 . 1 1058 293 113 SER HB3 H 3.87 . 1 1059 293 113 SER C C 176.7 . 1 1060 293 113 SER CA C 59.29 . 1 1061 293 113 SER CB C 64.13 . 1 1062 293 113 SER N N 116.4 . 1 1063 294 114 ASN H H 8.27 . 1 1064 294 114 ASN CA C 53.65 . 1 1065 294 114 ASN CB C 39.4 . 1 1066 294 114 ASN N N 120.3 . 1 stop_ save_