data_30276 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30276 _Entry.Title ; Solution NMR structure of human RAD18 (198-240) in complex with ubiquitin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-06 _Entry.Accession_date 2017-04-06 _Entry.Last_release_date 2017-05-08 _Entry.Original_release_date 2017-05-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Q. Hu Q. . . . 30276 2 M. Botuyan M. V. . . 30276 3 G. Mer G. . . . 30276 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA damage response' . 30276 Nucleosome . 30276 Ubiquitin . 30276 'Ubiquitin ligase' . 30276 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30276 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 30276 '15N chemical shifts' 109 30276 '1H chemical shifts' 835 30276 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-11-22 2017-04-06 update BMRB 'update entry citation' 30276 1 . . 2017-05-15 2017-04-06 original author 'original release' 30276 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5VF0 'BMRB Entry Tracking System' 30276 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30276 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.molcel.2017.04.009 _Citation.PubMed_ID 28506460 _Citation.Full_citation . _Citation.Title ; Mechanisms of Ubiquitin-Nucleosome Recognition and Regulation of 53BP1 Chromatin Recruitment by RNF168/169 and RAD18 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full 'Molecular cell' _Citation.Journal_volume 66 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-4164 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 473 _Citation.Page_last 487.e9 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qi Hu Q. . . . 30276 1 2 'Maria Victoria' Botuyan M. V. . . 30276 1 3 Gaofeng Cui G. . . . 30276 1 4 Debiao Zhao D. . . . 30276 1 5 Georges Mer G. . . . 30276 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30276 _Assembly.ID 1 _Assembly.Name 'Polyubiquitin-B, E3 ubiquitin-protein ligase RAD18 (E.C.2.3.2.27)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30276 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30276 1 3 entity_3 3 $entity_ZN C B no . . . . . . 30276 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30276 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8576.831 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30276 1 2 . GLN . 30276 1 3 . ILE . 30276 1 4 . PHE . 30276 1 5 . VAL . 30276 1 6 . LYS . 30276 1 7 . THR . 30276 1 8 . LEU . 30276 1 9 . THR . 30276 1 10 . GLY . 30276 1 11 . LYS . 30276 1 12 . THR . 30276 1 13 . ILE . 30276 1 14 . THR . 30276 1 15 . LEU . 30276 1 16 . GLU . 30276 1 17 . VAL . 30276 1 18 . GLU . 30276 1 19 . PRO . 30276 1 20 . SER . 30276 1 21 . ASP . 30276 1 22 . THR . 30276 1 23 . ILE . 30276 1 24 . GLU . 30276 1 25 . ASN . 30276 1 26 . VAL . 30276 1 27 . LYS . 30276 1 28 . ALA . 30276 1 29 . LYS . 30276 1 30 . ILE . 30276 1 31 . GLN . 30276 1 32 . ASP . 30276 1 33 . LYS . 30276 1 34 . GLU . 30276 1 35 . GLY . 30276 1 36 . ILE . 30276 1 37 . PRO . 30276 1 38 . PRO . 30276 1 39 . ASP . 30276 1 40 . GLN . 30276 1 41 . GLN . 30276 1 42 . ARG . 30276 1 43 . LEU . 30276 1 44 . ILE . 30276 1 45 . PHE . 30276 1 46 . ALA . 30276 1 47 . GLY . 30276 1 48 . LYS . 30276 1 49 . GLN . 30276 1 50 . LEU . 30276 1 51 . GLU . 30276 1 52 . ASP . 30276 1 53 . GLY . 30276 1 54 . ARG . 30276 1 55 . THR . 30276 1 56 . LEU . 30276 1 57 . SER . 30276 1 58 . ASP . 30276 1 59 . TYR . 30276 1 60 . ASN . 30276 1 61 . ILE . 30276 1 62 . GLN . 30276 1 63 . LYS . 30276 1 64 . GLU . 30276 1 65 . SER . 30276 1 66 . THR . 30276 1 67 . LEU . 30276 1 68 . HIS . 30276 1 69 . LEU . 30276 1 70 . VAL . 30276 1 71 . LEU . 30276 1 72 . ARG . 30276 1 73 . LEU . 30276 1 74 . ARG . 30276 1 75 . GLY . 30276 1 76 . GLY . 30276 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 30276 1 . GLN 2 2 30276 1 . ILE 3 3 30276 1 . PHE 4 4 30276 1 . VAL 5 5 30276 1 . LYS 6 6 30276 1 . THR 7 7 30276 1 . LEU 8 8 30276 1 . THR 9 9 30276 1 . GLY 10 10 30276 1 . LYS 11 11 30276 1 . THR 12 12 30276 1 . ILE 13 13 30276 1 . THR 14 14 30276 1 . LEU 15 15 30276 1 . GLU 16 16 30276 1 . VAL 17 17 30276 1 . GLU 18 18 30276 1 . PRO 19 19 30276 1 . SER 20 20 30276 1 . ASP 21 21 30276 1 . THR 22 22 30276 1 . ILE 23 23 30276 1 . GLU 24 24 30276 1 . ASN 25 25 30276 1 . VAL 26 26 30276 1 . LYS 27 27 30276 1 . ALA 28 28 30276 1 . LYS 29 29 30276 1 . ILE 30 30 30276 1 . GLN 31 31 30276 1 . ASP 32 32 30276 1 . LYS 33 33 30276 1 . GLU 34 34 30276 1 . GLY 35 35 30276 1 . ILE 36 36 30276 1 . PRO 37 37 30276 1 . PRO 38 38 30276 1 . ASP 39 39 30276 1 . GLN 40 40 30276 1 . GLN 41 41 30276 1 . ARG 42 42 30276 1 . LEU 43 43 30276 1 . ILE 44 44 30276 1 . PHE 45 45 30276 1 . ALA 46 46 30276 1 . GLY 47 47 30276 1 . LYS 48 48 30276 1 . GLN 49 49 30276 1 . LEU 50 50 30276 1 . GLU 51 51 30276 1 . ASP 52 52 30276 1 . GLY 53 53 30276 1 . ARG 54 54 30276 1 . THR 55 55 30276 1 . LEU 56 56 30276 1 . SER 57 57 30276 1 . ASP 58 58 30276 1 . TYR 59 59 30276 1 . ASN 60 60 30276 1 . ILE 61 61 30276 1 . GLN 62 62 30276 1 . LYS 63 63 30276 1 . GLU 64 64 30276 1 . SER 65 65 30276 1 . THR 66 66 30276 1 . LEU 67 67 30276 1 . HIS 68 68 30276 1 . LEU 69 69 30276 1 . VAL 70 70 30276 1 . LEU 71 71 30276 1 . ARG 72 72 30276 1 . LEU 73 73 30276 1 . ARG 74 74 30276 1 . GLY 75 75 30276 1 . GLY 76 76 30276 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30276 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMQVTKVDCPVCGVNIPES HINKHLDSCLSREEKKESLR SSVHKR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.3.2.27 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5225.018 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Postreplication repair protein RAD18' na 30276 2 'RING finger protein 73' na 30276 2 'RING-type E3 ubiquitin transferase RAD18' na 30276 2 hRAD18 na 30276 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 195 GLY . 30276 2 2 196 HIS . 30276 2 3 197 MET . 30276 2 4 198 GLN . 30276 2 5 199 VAL . 30276 2 6 200 THR . 30276 2 7 201 LYS . 30276 2 8 202 VAL . 30276 2 9 203 ASP . 30276 2 10 204 CYS . 30276 2 11 205 PRO . 30276 2 12 206 VAL . 30276 2 13 207 CYS . 30276 2 14 208 GLY . 30276 2 15 209 VAL . 30276 2 16 210 ASN . 30276 2 17 211 ILE . 30276 2 18 212 PRO . 30276 2 19 213 GLU . 30276 2 20 214 SER . 30276 2 21 215 HIS . 30276 2 22 216 ILE . 30276 2 23 217 ASN . 30276 2 24 218 LYS . 30276 2 25 219 HIS . 30276 2 26 220 LEU . 30276 2 27 221 ASP . 30276 2 28 222 SER . 30276 2 29 223 CYS . 30276 2 30 224 LEU . 30276 2 31 225 SER . 30276 2 32 226 ARG . 30276 2 33 227 GLU . 30276 2 34 228 GLU . 30276 2 35 229 LYS . 30276 2 36 230 LYS . 30276 2 37 231 GLU . 30276 2 38 232 SER . 30276 2 39 233 LEU . 30276 2 40 234 ARG . 30276 2 41 235 SER . 30276 2 42 236 SER . 30276 2 43 237 VAL . 30276 2 44 238 HIS . 30276 2 45 239 LYS . 30276 2 46 240 ARG . 30276 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30276 2 . HIS 2 2 30276 2 . MET 3 3 30276 2 . GLN 4 4 30276 2 . VAL 5 5 30276 2 . THR 6 6 30276 2 . LYS 7 7 30276 2 . VAL 8 8 30276 2 . ASP 9 9 30276 2 . CYS 10 10 30276 2 . PRO 11 11 30276 2 . VAL 12 12 30276 2 . CYS 13 13 30276 2 . GLY 14 14 30276 2 . VAL 15 15 30276 2 . ASN 16 16 30276 2 . ILE 17 17 30276 2 . PRO 18 18 30276 2 . GLU 19 19 30276 2 . SER 20 20 30276 2 . HIS 21 21 30276 2 . ILE 22 22 30276 2 . ASN 23 23 30276 2 . LYS 24 24 30276 2 . HIS 25 25 30276 2 . LEU 26 26 30276 2 . ASP 27 27 30276 2 . SER 28 28 30276 2 . CYS 29 29 30276 2 . LEU 30 30 30276 2 . SER 31 31 30276 2 . ARG 32 32 30276 2 . GLU 33 33 30276 2 . GLU 34 34 30276 2 . LYS 35 35 30276 2 . LYS 36 36 30276 2 . GLU 37 37 30276 2 . SER 38 38 30276 2 . LEU 39 39 30276 2 . ARG 40 40 30276 2 . SER 41 41 30276 2 . SER 42 42 30276 2 . VAL 43 43 30276 2 . HIS 44 44 30276 2 . LYS 45 45 30276 2 . ARG 46 46 30276 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 30276 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 30276 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 30276 3 ZN 'Three letter code' 30276 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 30276 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30276 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . UBB . 30276 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'RAD18, RNF73' . 30276 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30276 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . Plasmid . . . . . . 30276 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . Plasmid . . pTEV . . . 30276 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 30276 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 30276 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 30276 ZN [Zn++] SMILES CACTVS 3.341 30276 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 30276 ZN [Zn+2] SMILES ACDLabs 10.04 30276 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 30276 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30276 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 30276 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30276 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30276 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30276 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.6 mM [U-100% 13C; U-100% 15N] RAD18, 3 mM Ubiquitin, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 30276 1 2 MES-Bis-TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 30276 1 3 RAD18 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 0.6 . . mM . . . . 30276 1 4 Ubiquitin 'natural abundance' . . 1 $entity_1 . . 3 . . mM . . . . 30276 1 5 ZnCl2 'natural abundance' . . 3 $entity_ZN . . 10 . . uM . . . . 30276 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30276 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 3 mM RAD18, 0.6 mM [U-100% 13C; U-100% 15N] Ubiquitin, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 30276 2 2 MES-Bis-TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 30276 2 3 RAD18 'natural abundance' . . 2 $entity_2 . . 3 . . mM . . . . 30276 2 4 Ubiquitin '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 30276 2 5 ZnCl2 'natural abundance' . . 3 $entity_ZN . . 10 . . uM . . . . 30276 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30276 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.9 mM [U-15N] RAD18, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 30276 3 2 MES-Bis-TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 30276 3 3 RAD18 [U-15N] . . 2 $entity_2 . . 0.9 . . mM . . . . 30276 3 4 ZnCl2 'natural abundance' . . 3 $entity_ZN . . 10 . . uM . . . . 30276 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30276 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.9 mM [U-100% 13C; U-100% 15N] RAD18, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 30276 4 2 MES-Bis-TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 30276 4 3 RAD18 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 0.9 . . mM . . . . 30276 4 4 ZnCl2 'natural abundance' . . 3 $entity_ZN . . 10 . . uM . . . . 30276 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30276 _Sample.ID 5 _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-100% 15N] RAD18, 1.0 mM Ubiquitin, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 5 % Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture' 'natural abundance' . . . . . . 5 . . % . . . . 30276 5 2 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 30276 5 3 MES-Bis-TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 30276 5 4 RAD18 '[U-100% 15N]' . . 2 $entity_2 . . 0.2 . . mM . . . . 30276 5 5 Ubiquitin 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 30276 5 6 ZnCl2 'natural abundance' . . 3 $entity_ZN . . 10 . . uM . . . . 30276 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 30276 _Sample.ID 6 _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details ; 1.0 mM RAD18, 0.2 mM [U-100% 15N] Ubiquitin, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 5 % Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture' 'natural abundance' . . . . . . 5 . . % . . . . 30276 6 2 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 30276 6 3 MES-Bis-TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 30276 6 4 RAD18 'natural abundance' . . 2 $entity_2 . . 1.0 . . mM . . . . 30276 6 5 Ubiquitin '[U-100% 15N]' . . 1 $entity_1 . . 0.2 . . mM . . . . 30276 6 6 ZnCl2 'natural abundance' . . 3 $entity_ZN . . 10 . . uM . . . . 30276 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30276 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 30276 1 pH 6 . pH 30276 1 pressure 1 . atm 30276 1 temperature 298 . K 30276 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30276 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30276 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30276 1 'data analysis' 30276 1 'peak picking' 30276 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30276 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30276 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30276 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30276 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30276 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30276 3 'structure calculation' 30276 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30276 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30276 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'Avance III' . 700 . . . 30276 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30276 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 9 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 12 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 13 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 16 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 17 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 18 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 19 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 20 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 21 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 22 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 23 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 24 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 25 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 26 '3D 15N/13C-FILTERED EDITED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 27 '3D 15N/13C-FILTERED EDITED NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 28 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 5 $sample_5 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 29 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 6 $sample_6 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30276 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30276 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30276 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30276 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30276 1 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_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30276 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30276 1 2 '2D 1H-15N HSQC' . . . 30276 1 3 '2D 1H-13C HSQC' . . . 30276 1 4 '2D 1H-13C HSQC' . . . 30276 1 5 '2D 1H-13C HSQC' . . . 30276 1 6 '2D 1H-15N HSQC' . . . 30276 1 7 '2D 1H-15N HSQC' . . . 30276 1 8 '3D CBCA(CO)NH' . . . 30276 1 9 '3D HNCACB' . . . 30276 1 10 '3D HBHA(CO)NH' . . . 30276 1 11 '3D HCCH-TOCSY' . . . 30276 1 12 '3D HNCACB' . . . 30276 1 13 '3D CBCA(CO)NH' . . . 30276 1 14 '3D HBHA(CO)NH' . . . 30276 1 15 '3D HCCH-TOCSY' . . . 30276 1 16 '3D CBCA(CO)NH' . . . 30276 1 17 '3D HNCACB' . . . 30276 1 18 '3D HBHA(CO)NH' . . . 30276 1 19 '3D HCCH-TOCSY' . . . 30276 1 20 '3D 1H-15N NOESY' . . . 30276 1 21 '3D 1H-15N NOESY' . . . 30276 1 22 '3D 1H-15N NOESY' . . . 30276 1 23 '3D 1H-13C NOESY' . . . 30276 1 24 '3D 1H-13C NOESY' . . . 30276 1 25 '3D 1H-13C NOESY' . . . 30276 1 26 '3D 15N/13C-FILTERED EDITED NOESY' . . . 30276 1 27 '3D 15N/13C-FILTERED EDITED NOESY' . . . 30276 1 28 '2D 1H-15N IPAP HSQC' . . . 30276 1 29 '2D 1H-15N IPAP HSQC' . . . 30276 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN H H 1 9.152 0.03 . 1 . . . . A 2 GLN H . 30276 1 2 . 1 1 2 2 GLN HA H 1 5.295 0.03 . 1 . . . . A 2 GLN HA . 30276 1 3 . 1 1 2 2 GLN HB2 H 1 1.749 0.03 . 2 . . . . A 2 GLN HB2 . 30276 1 4 . 1 1 2 2 GLN HB3 H 1 1.559 0.03 . 2 . . . . A 2 GLN HB3 . 30276 1 5 . 1 1 2 2 GLN HG2 H 1 1.861 0.03 . 2 . . . . A 2 GLN HG2 . 30276 1 6 . 1 1 2 2 GLN HG3 H 1 2.153 0.03 . 2 . . . . A 2 GLN HG3 . 30276 1 7 . 1 1 2 2 GLN HE21 H 1 6.720 0.03 . 2 . . . . A 2 GLN HE21 . 30276 1 8 . 1 1 2 2 GLN HE22 H 1 7.560 0.03 . 2 . . . . A 2 GLN HE22 . 30276 1 9 . 1 1 2 2 GLN CA C 13 54.387 0.3 . 1 . . . . A 2 GLN CA . 30276 1 10 . 1 1 2 2 GLN CB C 13 30.597 0.3 . 1 . . . . A 2 GLN CB . 30276 1 11 . 1 1 2 2 GLN CG C 13 34.455 0.3 . 1 . . . . A 2 GLN CG . 30276 1 12 . 1 1 2 2 GLN N N 15 123.197 0.3 . 1 . . . . A 2 GLN N . 30276 1 13 . 1 1 3 3 ILE H H 1 8.288 0.03 . 1 . . . . A 3 ILE H . 30276 1 14 . 1 1 3 3 ILE HA H 1 4.108 0.03 . 1 . . . . A 3 ILE HA . 30276 1 15 . 1 1 3 3 ILE HB H 1 1.671 0.03 . 1 . . . . A 3 ILE HB . 30276 1 16 . 1 1 3 3 ILE HG12 H 1 1.042 0.03 . 2 . . . . A 3 ILE HG12 . 30276 1 17 . 1 1 3 3 ILE HG13 H 1 0.906 0.03 . 2 . . . . A 3 ILE HG13 . 30276 1 18 . 1 1 3 3 ILE HG21 H 1 0.569 0.03 . 1 . . . . A 3 ILE HG21 . 30276 1 19 . 1 1 3 3 ILE HG22 H 1 0.569 0.03 . 1 . . . . A 3 ILE HG22 . 30276 1 20 . 1 1 3 3 ILE HG23 H 1 0.569 0.03 . 1 . . . . A 3 ILE HG23 . 30276 1 21 . 1 1 3 3 ILE HD11 H 1 0.521 0.03 . 1 . . . . A 3 ILE HD11 . 30276 1 22 . 1 1 3 3 ILE HD12 H 1 0.521 0.03 . 1 . . . . A 3 ILE HD12 . 30276 1 23 . 1 1 3 3 ILE HD13 H 1 0.521 0.03 . 1 . . . . A 3 ILE HD13 . 30276 1 24 . 1 1 3 3 ILE CA C 13 59.546 0.3 . 1 . . . . A 3 ILE CA . 30276 1 25 . 1 1 3 3 ILE CB C 13 41.954 0.3 . 1 . . . . A 3 ILE CB . 30276 1 26 . 1 1 3 3 ILE CG1 C 13 25.011 0.3 . 1 . . . . A 3 ILE CG1 . 30276 1 27 . 1 1 3 3 ILE CG2 C 13 17.829 0.3 . 1 . . . . A 3 ILE CG2 . 30276 1 28 . 1 1 3 3 ILE CD1 C 13 14.122 0.3 . 1 . . . . A 3 ILE CD1 . 30276 1 29 . 1 1 3 3 ILE N N 15 114.700 0.3 . 1 . . . . A 3 ILE N . 30276 1 30 . 1 1 4 4 PHE H H 1 8.564 0.03 . 1 . . . . A 4 PHE H . 30276 1 31 . 1 1 4 4 PHE HA H 1 5.441 0.03 . 1 . . . . A 4 PHE HA . 30276 1 32 . 1 1 4 4 PHE HB2 H 1 2.995 0.03 . 2 . . . . A 4 PHE HB2 . 30276 1 33 . 1 1 4 4 PHE HB3 H 1 2.845 0.03 . 2 . . . . A 4 PHE HB3 . 30276 1 34 . 1 1 4 4 PHE HD1 H 1 6.979 0.03 . 3 . . . . A 4 PHE HD1 . 30276 1 35 . 1 1 4 4 PHE HD2 H 1 6.979 0.03 . 3 . . . . A 4 PHE HD2 . 30276 1 36 . 1 1 4 4 PHE CA C 13 55.349 0.3 . 1 . . . . A 4 PHE CA . 30276 1 37 . 1 1 4 4 PHE CB C 13 41.201 0.3 . 1 . . . . A 4 PHE CB . 30276 1 38 . 1 1 4 4 PHE N N 15 118.645 0.3 . 1 . . . . A 4 PHE N . 30276 1 39 . 1 1 5 5 VAL H H 1 9.303 0.03 . 1 . . . . A 5 VAL H . 30276 1 40 . 1 1 5 5 VAL HA H 1 4.622 0.03 . 1 . . . . A 5 VAL HA . 30276 1 41 . 1 1 5 5 VAL HB H 1 1.891 0.03 . 1 . . . . A 5 VAL HB . 30276 1 42 . 1 1 5 5 VAL HG11 H 1 0.671 0.03 . 2 . . . . A 5 VAL HG11 . 30276 1 43 . 1 1 5 5 VAL HG12 H 1 0.671 0.03 . 2 . . . . A 5 VAL HG12 . 30276 1 44 . 1 1 5 5 VAL HG13 H 1 0.671 0.03 . 2 . . . . A 5 VAL HG13 . 30276 1 45 . 1 1 5 5 VAL HG21 H 1 0.641 0.03 . 2 . . . . A 5 VAL HG21 . 30276 1 46 . 1 1 5 5 VAL HG22 H 1 0.641 0.03 . 2 . . . . A 5 VAL HG22 . 30276 1 47 . 1 1 5 5 VAL HG23 H 1 0.641 0.03 . 2 . . . . A 5 VAL HG23 . 30276 1 48 . 1 1 5 5 VAL CA C 13 60.380 0.3 . 1 . . . . A 5 VAL CA . 30276 1 49 . 1 1 5 5 VAL CB C 13 33.198 0.3 . 1 . . . . A 5 VAL CB . 30276 1 50 . 1 1 5 5 VAL CG1 C 13 20.666 0.3 . 2 . . . . A 5 VAL CG1 . 30276 1 51 . 1 1 5 5 VAL CG2 C 13 22.700 0.3 . 2 . . . . A 5 VAL CG2 . 30276 1 52 . 1 1 5 5 VAL N N 15 122.365 0.3 . 1 . . . . A 5 VAL N . 30276 1 53 . 1 1 6 6 LYS H H 1 9.020 0.03 . 1 . . . . A 6 LYS H . 30276 1 54 . 1 1 6 6 LYS HA H 1 5.438 0.03 . 1 . . . . A 6 LYS HA . 30276 1 55 . 1 1 6 6 LYS HB2 H 1 1.274 0.03 . 2 . . . . A 6 LYS HB2 . 30276 1 56 . 1 1 6 6 LYS HB3 H 1 1.624 0.03 . 2 . . . . A 6 LYS HB3 . 30276 1 57 . 1 1 6 6 LYS HG2 H 1 1.228 0.03 . 2 . . . . A 6 LYS HG2 . 30276 1 58 . 1 1 6 6 LYS HG3 H 1 1.529 0.03 . 2 . . . . A 6 LYS HG3 . 30276 1 59 . 1 1 6 6 LYS HD2 H 1 1.538 0.03 . 2 . . . . A 6 LYS HD2 . 30276 1 60 . 1 1 6 6 LYS HD3 H 1 1.538 0.03 . 2 . . . . A 6 LYS HD3 . 30276 1 61 . 1 1 6 6 LYS HE2 H 1 2.858 0.03 . 2 . . . . A 6 LYS HE2 . 30276 1 62 . 1 1 6 6 LYS HE3 H 1 2.858 0.03 . 2 . . . . A 6 LYS HE3 . 30276 1 63 . 1 1 6 6 LYS CA C 13 54.393 0.3 . 1 . . . . A 6 LYS CA . 30276 1 64 . 1 1 6 6 LYS CB C 13 35.513 0.3 . 1 . . . . A 6 LYS CB . 30276 1 65 . 1 1 6 6 LYS CG C 13 24.932 0.3 . 1 . . . . A 6 LYS CG . 30276 1 66 . 1 1 6 6 LYS CD C 13 29.563 0.3 . 1 . . . . A 6 LYS CD . 30276 1 67 . 1 1 6 6 LYS CE C 13 41.930 0.3 . 1 . . . . A 6 LYS CE . 30276 1 68 . 1 1 6 6 LYS N N 15 128.436 0.3 . 1 . . . . A 6 LYS N . 30276 1 69 . 1 1 7 7 THR H H 1 8.921 0.03 . 1 . . . . A 7 THR H . 30276 1 70 . 1 1 7 7 THR HA H 1 5.113 0.03 . 1 . . . . A 7 THR HA . 30276 1 71 . 1 1 7 7 THR HB H 1 4.877 0.03 . 1 . . . . A 7 THR HB . 30276 1 72 . 1 1 7 7 THR HG21 H 1 1.191 0.03 . 1 . . . . A 7 THR HG21 . 30276 1 73 . 1 1 7 7 THR HG22 H 1 1.191 0.03 . 1 . . . . A 7 THR HG22 . 30276 1 74 . 1 1 7 7 THR HG23 H 1 1.191 0.03 . 1 . . . . A 7 THR HG23 . 30276 1 75 . 1 1 7 7 THR CA C 13 60.523 0.3 . 1 . . . . A 7 THR CA . 30276 1 76 . 1 1 7 7 THR CB C 13 70.460 0.3 . 1 . . . . A 7 THR CB . 30276 1 77 . 1 1 7 7 THR CG2 C 13 21.525 0.3 . 1 . . . . A 7 THR CG2 . 30276 1 78 . 1 1 7 7 THR N N 15 116.691 0.3 . 1 . . . . A 7 THR N . 30276 1 79 . 1 1 8 8 LEU H H 1 9.279 0.03 . 1 . . . . A 8 LEU H . 30276 1 80 . 1 1 8 8 LEU HA H 1 4.379 0.03 . 1 . . . . A 8 LEU HA . 30276 1 81 . 1 1 8 8 LEU HB2 H 1 1.978 0.03 . 2 . . . . A 8 LEU HB2 . 30276 1 82 . 1 1 8 8 LEU HB3 H 1 1.722 0.03 . 2 . . . . A 8 LEU HB3 . 30276 1 83 . 1 1 8 8 LEU HG H 1 1.999 0.03 . 1 . . . . A 8 LEU HG . 30276 1 84 . 1 1 8 8 LEU HD11 H 1 0.932 0.03 . 2 . . . . A 8 LEU HD11 . 30276 1 85 . 1 1 8 8 LEU HD12 H 1 0.932 0.03 . 2 . . . . A 8 LEU HD12 . 30276 1 86 . 1 1 8 8 LEU HD13 H 1 0.932 0.03 . 2 . . . . A 8 LEU HD13 . 30276 1 87 . 1 1 8 8 LEU HD21 H 1 1.073 0.03 . 2 . . . . A 8 LEU HD21 . 30276 1 88 . 1 1 8 8 LEU HD22 H 1 1.073 0.03 . 2 . . . . A 8 LEU HD22 . 30276 1 89 . 1 1 8 8 LEU HD23 H 1 1.073 0.03 . 2 . . . . A 8 LEU HD23 . 30276 1 90 . 1 1 8 8 LEU CA C 13 56.932 0.3 . 1 . . . . A 8 LEU CA . 30276 1 91 . 1 1 8 8 LEU CB C 13 40.954 0.3 . 1 . . . . A 8 LEU CB . 30276 1 92 . 1 1 8 8 LEU CG C 13 26.884 0.3 . 1 . . . . A 8 LEU CG . 30276 1 93 . 1 1 8 8 LEU CD1 C 13 22.799 0.3 . 2 . . . . A 8 LEU CD1 . 30276 1 94 . 1 1 8 8 LEU CD2 C 13 26.660 0.3 . 2 . . . . A 8 LEU CD2 . 30276 1 95 . 1 1 8 8 LEU N N 15 120.144 0.3 . 1 . . . . A 8 LEU N . 30276 1 96 . 1 1 9 9 THR H H 1 7.596 0.03 . 1 . . . . A 9 THR H . 30276 1 97 . 1 1 9 9 THR HA H 1 4.421 0.03 . 1 . . . . A 9 THR HA . 30276 1 98 . 1 1 9 9 THR HB H 1 4.561 0.03 . 1 . . . . A 9 THR HB . 30276 1 99 . 1 1 9 9 THR HG21 H 1 1.147 0.03 . 1 . . . . A 9 THR HG21 . 30276 1 100 . 1 1 9 9 THR HG22 H 1 1.147 0.03 . 1 . . . . A 9 THR HG22 . 30276 1 101 . 1 1 9 9 THR HG23 H 1 1.147 0.03 . 1 . . . . A 9 THR HG23 . 30276 1 102 . 1 1 9 9 THR CA C 13 61.075 0.3 . 1 . . . . A 9 THR CA . 30276 1 103 . 1 1 9 9 THR CB C 13 68.799 0.3 . 1 . . . . A 9 THR CB . 30276 1 104 . 1 1 9 9 THR CG2 C 13 21.919 0.3 . 1 . . . . A 9 THR CG2 . 30276 1 105 . 1 1 9 9 THR N N 15 104.977 0.3 . 1 . . . . A 9 THR N . 30276 1 106 . 1 1 10 10 GLY H H 1 7.614 0.03 . 1 . . . . A 10 GLY H . 30276 1 107 . 1 1 10 10 GLY HA2 H 1 4.288 0.03 . 2 . . . . A 10 GLY HA2 . 30276 1 108 . 1 1 10 10 GLY HA3 H 1 3.554 0.03 . 2 . . . . A 10 GLY HA3 . 30276 1 109 . 1 1 10 10 GLY CA C 13 45.791 0.3 . 1 . . . . A 10 GLY CA . 30276 1 110 . 1 1 10 10 GLY N N 15 108.907 0.3 . 1 . . . . A 10 GLY N . 30276 1 111 . 1 1 11 11 LYS H H 1 7.419 0.03 . 1 . . . . A 11 LYS H . 30276 1 112 . 1 1 11 11 LYS HA H 1 4.330 0.03 . 1 . . . . A 11 LYS HA . 30276 1 113 . 1 1 11 11 LYS HB2 H 1 1.790 0.03 . 2 . . . . A 11 LYS HB2 . 30276 1 114 . 1 1 11 11 LYS HB3 H 1 1.677 0.03 . 2 . . . . A 11 LYS HB3 . 30276 1 115 . 1 1 11 11 LYS HG2 H 1 1.365 0.03 . 2 . . . . A 11 LYS HG2 . 30276 1 116 . 1 1 11 11 LYS HG3 H 1 1.156 0.03 . 2 . . . . A 11 LYS HG3 . 30276 1 117 . 1 1 11 11 LYS HD2 H 1 1.551 0.03 . 2 . . . . A 11 LYS HD2 . 30276 1 118 . 1 1 11 11 LYS HD3 H 1 1.551 0.03 . 2 . . . . A 11 LYS HD3 . 30276 1 119 . 1 1 11 11 LYS HE2 H 1 2.853 0.03 . 2 . . . . A 11 LYS HE2 . 30276 1 120 . 1 1 11 11 LYS HE3 H 1 2.853 0.03 . 2 . . . . A 11 LYS HE3 . 30276 1 121 . 1 1 11 11 LYS CA C 13 56.531 0.3 . 1 . . . . A 11 LYS CA . 30276 1 122 . 1 1 11 11 LYS CB C 13 33.347 0.3 . 1 . . . . A 11 LYS CB . 30276 1 123 . 1 1 11 11 LYS CG C 13 25.136 0.3 . 1 . . . . A 11 LYS CG . 30276 1 124 . 1 1 11 11 LYS CD C 13 29.361 0.3 . 1 . . . . A 11 LYS CD . 30276 1 125 . 1 1 11 11 LYS CE C 13 41.929 0.3 . 1 . . . . A 11 LYS CE . 30276 1 126 . 1 1 11 11 LYS N N 15 123.067 0.3 . 1 . . . . A 11 LYS N . 30276 1 127 . 1 1 12 12 THR H H 1 8.678 0.03 . 1 . . . . A 12 THR H . 30276 1 128 . 1 1 12 12 THR HA H 1 4.976 0.03 . 1 . . . . A 12 THR HA . 30276 1 129 . 1 1 12 12 THR HB H 1 3.894 0.03 . 1 . . . . A 12 THR HB . 30276 1 130 . 1 1 12 12 THR HG21 H 1 1.020 0.03 . 1 . . . . A 12 THR HG21 . 30276 1 131 . 1 1 12 12 THR HG22 H 1 1.020 0.03 . 1 . . . . A 12 THR HG22 . 30276 1 132 . 1 1 12 12 THR HG23 H 1 1.020 0.03 . 1 . . . . A 12 THR HG23 . 30276 1 133 . 1 1 12 12 THR CA C 13 62.448 0.3 . 1 . . . . A 12 THR CA . 30276 1 134 . 1 1 12 12 THR CB C 13 69.859 0.3 . 1 . . . . A 12 THR CB . 30276 1 135 . 1 1 12 12 THR CG2 C 13 21.881 0.3 . 1 . . . . A 12 THR CG2 . 30276 1 136 . 1 1 12 12 THR N N 15 121.716 0.3 . 1 . . . . A 12 THR N . 30276 1 137 . 1 1 13 13 ILE H H 1 9.580 0.03 . 1 . . . . A 13 ILE H . 30276 1 138 . 1 1 13 13 ILE HA H 1 4.380 0.03 . 1 . . . . A 13 ILE HA . 30276 1 139 . 1 1 13 13 ILE HB H 1 1.818 0.03 . 1 . . . . A 13 ILE HB . 30276 1 140 . 1 1 13 13 ILE HG12 H 1 1.019 0.03 . 2 . . . . A 13 ILE HG12 . 30276 1 141 . 1 1 13 13 ILE HG13 H 1 1.386 0.03 . 2 . . . . A 13 ILE HG13 . 30276 1 142 . 1 1 13 13 ILE HG21 H 1 0.811 0.03 . 1 . . . . A 13 ILE HG21 . 30276 1 143 . 1 1 13 13 ILE HG22 H 1 0.811 0.03 . 1 . . . . A 13 ILE HG22 . 30276 1 144 . 1 1 13 13 ILE HG23 H 1 0.811 0.03 . 1 . . . . A 13 ILE HG23 . 30276 1 145 . 1 1 13 13 ILE HD11 H 1 0.658 0.03 . 1 . . . . A 13 ILE HD11 . 30276 1 146 . 1 1 13 13 ILE HD12 H 1 0.658 0.03 . 1 . . . . A 13 ILE HD12 . 30276 1 147 . 1 1 13 13 ILE HD13 H 1 0.658 0.03 . 1 . . . . A 13 ILE HD13 . 30276 1 148 . 1 1 13 13 ILE CA C 13 60.179 0.3 . 1 . . . . A 13 ILE CA . 30276 1 149 . 1 1 13 13 ILE CB C 13 41.015 0.3 . 1 . . . . A 13 ILE CB . 30276 1 150 . 1 1 13 13 ILE CG1 C 13 27.040 0.3 . 1 . . . . A 13 ILE CG1 . 30276 1 151 . 1 1 13 13 ILE CG2 C 13 17.732 0.3 . 1 . . . . A 13 ILE CG2 . 30276 1 152 . 1 1 13 13 ILE CD1 C 13 14.634 0.3 . 1 . . . . A 13 ILE CD1 . 30276 1 153 . 1 1 13 13 ILE N N 15 129.138 0.3 . 1 . . . . A 13 ILE N . 30276 1 154 . 1 1 14 14 THR H H 1 8.730 0.03 . 1 . . . . A 14 THR H . 30276 1 155 . 1 1 14 14 THR HA H 1 4.870 0.03 . 1 . . . . A 14 THR HA . 30276 1 156 . 1 1 14 14 THR HB H 1 3.961 0.03 . 1 . . . . A 14 THR HB . 30276 1 157 . 1 1 14 14 THR HG21 H 1 1.050 0.03 . 1 . . . . A 14 THR HG21 . 30276 1 158 . 1 1 14 14 THR HG22 H 1 1.050 0.03 . 1 . . . . A 14 THR HG22 . 30276 1 159 . 1 1 14 14 THR HG23 H 1 1.050 0.03 . 1 . . . . A 14 THR HG23 . 30276 1 160 . 1 1 14 14 THR CA C 13 62.181 0.3 . 1 . . . . A 14 THR CA . 30276 1 161 . 1 1 14 14 THR CB C 13 69.497 0.3 . 1 . . . . A 14 THR CB . 30276 1 162 . 1 1 14 14 THR CG2 C 13 21.780 0.3 . 1 . . . . A 14 THR CG2 . 30276 1 163 . 1 1 14 14 THR N N 15 122.898 0.3 . 1 . . . . A 14 THR N . 30276 1 164 . 1 1 15 15 LEU H H 1 8.666 0.03 . 1 . . . . A 15 LEU H . 30276 1 165 . 1 1 15 15 LEU HA H 1 4.710 0.03 . 1 . . . . A 15 LEU HA . 30276 1 166 . 1 1 15 15 LEU HB2 H 1 1.168 0.03 . 2 . . . . A 15 LEU HB2 . 30276 1 167 . 1 1 15 15 LEU HB3 H 1 1.309 0.03 . 2 . . . . A 15 LEU HB3 . 30276 1 168 . 1 1 15 15 LEU HG H 1 1.372 0.03 . 1 . . . . A 15 LEU HG . 30276 1 169 . 1 1 15 15 LEU HD11 H 1 0.655 0.03 . 2 . . . . A 15 LEU HD11 . 30276 1 170 . 1 1 15 15 LEU HD12 H 1 0.655 0.03 . 2 . . . . A 15 LEU HD12 . 30276 1 171 . 1 1 15 15 LEU HD13 H 1 0.655 0.03 . 2 . . . . A 15 LEU HD13 . 30276 1 172 . 1 1 15 15 LEU HD21 H 1 0.703 0.03 . 2 . . . . A 15 LEU HD21 . 30276 1 173 . 1 1 15 15 LEU HD22 H 1 0.703 0.03 . 2 . . . . A 15 LEU HD22 . 30276 1 174 . 1 1 15 15 LEU HD23 H 1 0.703 0.03 . 2 . . . . A 15 LEU HD23 . 30276 1 175 . 1 1 15 15 LEU CA C 13 52.889 0.3 . 1 . . . . A 15 LEU CA . 30276 1 176 . 1 1 15 15 LEU CB C 13 46.892 0.3 . 1 . . . . A 15 LEU CB . 30276 1 177 . 1 1 15 15 LEU CD1 C 13 26.995 0.3 . 2 . . . . A 15 LEU CD1 . 30276 1 178 . 1 1 15 15 LEU CD2 C 13 23.975 0.3 . 2 . . . . A 15 LEU CD2 . 30276 1 179 . 1 1 15 15 LEU N N 15 125.357 0.3 . 1 . . . . A 15 LEU N . 30276 1 180 . 1 1 16 16 GLU H H 1 8.085 0.03 . 1 . . . . A 16 GLU H . 30276 1 181 . 1 1 16 16 GLU HA H 1 4.888 0.03 . 1 . . . . A 16 GLU HA . 30276 1 182 . 1 1 16 16 GLU HB2 H 1 1.823 0.03 . 2 . . . . A 16 GLU HB2 . 30276 1 183 . 1 1 16 16 GLU HB3 H 1 1.823 0.03 . 2 . . . . A 16 GLU HB3 . 30276 1 184 . 1 1 16 16 GLU HG2 H 1 2.148 0.03 . 2 . . . . A 16 GLU HG2 . 30276 1 185 . 1 1 16 16 GLU HG3 H 1 2.049 0.03 . 2 . . . . A 16 GLU HG3 . 30276 1 186 . 1 1 16 16 GLU CA C 13 55.451 0.3 . 1 . . . . A 16 GLU CA . 30276 1 187 . 1 1 16 16 GLU CB C 13 30.345 0.3 . 1 . . . . A 16 GLU CB . 30276 1 188 . 1 1 16 16 GLU CG C 13 36.612 0.3 . 1 . . . . A 16 GLU CG . 30276 1 189 . 1 1 16 16 GLU N N 15 122.485 0.3 . 1 . . . . A 16 GLU N . 30276 1 190 . 1 1 17 17 VAL H H 1 8.916 0.03 . 1 . . . . A 17 VAL H . 30276 1 191 . 1 1 17 17 VAL HA H 1 4.630 0.03 . 1 . . . . A 17 VAL HA . 30276 1 192 . 1 1 17 17 VAL HB H 1 2.315 0.03 . 1 . . . . A 17 VAL HB . 30276 1 193 . 1 1 17 17 VAL HG11 H 1 0.631 0.03 . 2 . . . . A 17 VAL HG11 . 30276 1 194 . 1 1 17 17 VAL HG12 H 1 0.631 0.03 . 2 . . . . A 17 VAL HG12 . 30276 1 195 . 1 1 17 17 VAL HG13 H 1 0.631 0.03 . 2 . . . . A 17 VAL HG13 . 30276 1 196 . 1 1 17 17 VAL HG21 H 1 0.389 0.03 . 2 . . . . A 17 VAL HG21 . 30276 1 197 . 1 1 17 17 VAL HG22 H 1 0.389 0.03 . 2 . . . . A 17 VAL HG22 . 30276 1 198 . 1 1 17 17 VAL HG23 H 1 0.389 0.03 . 2 . . . . A 17 VAL HG23 . 30276 1 199 . 1 1 17 17 VAL CA C 13 58.709 0.3 . 1 . . . . A 17 VAL CA . 30276 1 200 . 1 1 17 17 VAL CB C 13 36.429 0.3 . 1 . . . . A 17 VAL CB . 30276 1 201 . 1 1 17 17 VAL CG1 C 13 22.258 0.3 . 2 . . . . A 17 VAL CG1 . 30276 1 202 . 1 1 17 17 VAL CG2 C 13 19.406 0.3 . 2 . . . . A 17 VAL CG2 . 30276 1 203 . 1 1 17 17 VAL N N 15 116.691 0.3 . 1 . . . . A 17 VAL N . 30276 1 204 . 1 1 18 18 GLU H H 1 8.572 0.03 . 1 . . . . A 18 GLU H . 30276 1 205 . 1 1 18 18 GLU HA H 1 4.875 0.03 . 1 . . . . A 18 GLU HA . 30276 1 206 . 1 1 18 18 GLU HB2 H 1 1.966 0.03 . 2 . . . . A 18 GLU HB2 . 30276 1 207 . 1 1 18 18 GLU HB3 H 1 1.554 0.03 . 2 . . . . A 18 GLU HB3 . 30276 1 208 . 1 1 18 18 GLU HG2 H 1 2.051 0.03 . 2 . . . . A 18 GLU HG2 . 30276 1 209 . 1 1 18 18 GLU HG3 H 1 1.954 0.03 . 2 . . . . A 18 GLU HG3 . 30276 1 210 . 1 1 18 18 GLU CA C 13 53.535 0.3 . 1 . . . . A 18 GLU CA . 30276 1 211 . 1 1 18 18 GLU CB C 13 31.441 0.3 . 1 . . . . A 18 GLU CB . 30276 1 212 . 1 1 18 18 GLU CG C 13 36.692 0.3 . 1 . . . . A 18 GLU CG . 30276 1 213 . 1 1 18 18 GLU N N 15 120.612 0.3 . 1 . . . . A 18 GLU N . 30276 1 214 . 1 1 19 19 PRO HA H 1 4.086 0.03 . 1 . . . . A 19 PRO HA . 30276 1 215 . 1 1 19 19 PRO HB2 H 1 2.368 0.03 . 2 . . . . A 19 PRO HB2 . 30276 1 216 . 1 1 19 19 PRO HB3 H 1 1.936 0.03 . 2 . . . . A 19 PRO HB3 . 30276 1 217 . 1 1 19 19 PRO HG2 H 1 1.987 0.03 . 2 . . . . A 19 PRO HG2 . 30276 1 218 . 1 1 19 19 PRO HG3 H 1 2.114 0.03 . 2 . . . . A 19 PRO HG3 . 30276 1 219 . 1 1 19 19 PRO HD2 H 1 3.728 0.03 . 2 . . . . A 19 PRO HD2 . 30276 1 220 . 1 1 19 19 PRO HD3 H 1 3.806 0.03 . 2 . . . . A 19 PRO HD3 . 30276 1 221 . 1 1 19 19 PRO CA C 13 65.580 0.3 . 1 . . . . A 19 PRO CA . 30276 1 222 . 1 1 19 19 PRO CB C 13 31.912 0.3 . 1 . . . . A 19 PRO CB . 30276 1 223 . 1 1 19 19 PRO CG C 13 27.774 0.3 . 1 . . . . A 19 PRO CG . 30276 1 224 . 1 1 19 19 PRO CD C 13 50.867 0.3 . 1 . . . . A 19 PRO CD . 30276 1 225 . 1 1 20 20 SER H H 1 7.082 0.03 . 1 . . . . A 20 SER H . 30276 1 226 . 1 1 20 20 SER HA H 1 4.321 0.03 . 1 . . . . A 20 SER HA . 30276 1 227 . 1 1 20 20 SER HB2 H 1 4.087 0.03 . 2 . . . . A 20 SER HB2 . 30276 1 228 . 1 1 20 20 SER HB3 H 1 3.728 0.03 . 2 . . . . A 20 SER HB3 . 30276 1 229 . 1 1 20 20 SER CA C 13 57.486 0.3 . 1 . . . . A 20 SER CA . 30276 1 230 . 1 1 20 20 SER CB C 13 63.350 0.3 . 1 . . . . A 20 SER CB . 30276 1 231 . 1 1 20 20 SER N N 15 103.912 0.3 . 1 . . . . A 20 SER N . 30276 1 232 . 1 1 21 21 ASP H H 1 7.985 0.03 . 1 . . . . A 21 ASP H . 30276 1 233 . 1 1 21 21 ASP HA H 1 4.628 0.03 . 1 . . . . A 21 ASP HA . 30276 1 234 . 1 1 21 21 ASP HB2 H 1 2.485 0.03 . 2 . . . . A 21 ASP HB2 . 30276 1 235 . 1 1 21 21 ASP HB3 H 1 2.909 0.03 . 2 . . . . A 21 ASP HB3 . 30276 1 236 . 1 1 21 21 ASP CA C 13 55.837 0.3 . 1 . . . . A 21 ASP CA . 30276 1 237 . 1 1 21 21 ASP CB C 13 40.816 0.3 . 1 . . . . A 21 ASP CB . 30276 1 238 . 1 1 21 21 ASP N N 15 123.979 0.3 . 1 . . . . A 21 ASP N . 30276 1 239 . 1 1 22 22 THR H H 1 7.848 0.03 . 1 . . . . A 22 THR H . 30276 1 240 . 1 1 22 22 THR HA H 1 4.771 0.03 . 1 . . . . A 22 THR HA . 30276 1 241 . 1 1 22 22 THR HB H 1 4.771 0.03 . 1 . . . . A 22 THR HB . 30276 1 242 . 1 1 22 22 THR HG21 H 1 1.201 0.03 . 1 . . . . A 22 THR HG21 . 30276 1 243 . 1 1 22 22 THR HG22 H 1 1.201 0.03 . 1 . . . . A 22 THR HG22 . 30276 1 244 . 1 1 22 22 THR HG23 H 1 1.201 0.03 . 1 . . . . A 22 THR HG23 . 30276 1 245 . 1 1 22 22 THR CA C 13 59.548 0.3 . 1 . . . . A 22 THR CA . 30276 1 246 . 1 1 22 22 THR CB C 13 71.045 0.3 . 1 . . . . A 22 THR CB . 30276 1 247 . 1 1 22 22 THR CG2 C 13 22.584 0.3 . 1 . . . . A 22 THR CG2 . 30276 1 248 . 1 1 22 22 THR N N 15 109.191 0.3 . 1 . . . . A 22 THR N . 30276 1 249 . 1 1 23 23 ILE H H 1 8.537 0.03 . 1 . . . . A 23 ILE H . 30276 1 250 . 1 1 23 23 ILE HA H 1 3.577 0.03 . 1 . . . . A 23 ILE HA . 30276 1 251 . 1 1 23 23 ILE HB H 1 2.453 0.03 . 1 . . . . A 23 ILE HB . 30276 1 252 . 1 1 23 23 ILE HG12 H 1 1.843 0.03 . 2 . . . . A 23 ILE HG12 . 30276 1 253 . 1 1 23 23 ILE HG13 H 1 1.240 0.03 . 2 . . . . A 23 ILE HG13 . 30276 1 254 . 1 1 23 23 ILE HG21 H 1 0.682 0.03 . 1 . . . . A 23 ILE HG21 . 30276 1 255 . 1 1 23 23 ILE HG22 H 1 0.682 0.03 . 1 . . . . A 23 ILE HG22 . 30276 1 256 . 1 1 23 23 ILE HG23 H 1 0.682 0.03 . 1 . . . . A 23 ILE HG23 . 30276 1 257 . 1 1 23 23 ILE HD11 H 1 0.501 0.03 . 1 . . . . A 23 ILE HD11 . 30276 1 258 . 1 1 23 23 ILE HD12 H 1 0.501 0.03 . 1 . . . . A 23 ILE HD12 . 30276 1 259 . 1 1 23 23 ILE HD13 H 1 0.501 0.03 . 1 . . . . A 23 ILE HD13 . 30276 1 260 . 1 1 23 23 ILE CA C 13 62.110 0.3 . 1 . . . . A 23 ILE CA . 30276 1 261 . 1 1 23 23 ILE CB C 13 34.214 0.3 . 1 . . . . A 23 ILE CB . 30276 1 262 . 1 1 23 23 ILE CG1 C 13 27.536 0.3 . 1 . . . . A 23 ILE CG1 . 30276 1 263 . 1 1 23 23 ILE CG2 C 13 18.054 0.3 . 1 . . . . A 23 ILE CG2 . 30276 1 264 . 1 1 23 23 ILE CD1 C 13 9.106 0.3 . 1 . . . . A 23 ILE CD1 . 30276 1 265 . 1 1 23 23 ILE N N 15 121.464 0.3 . 1 . . . . A 23 ILE N . 30276 1 266 . 1 1 24 24 GLU HA H 1 3.835 0.03 . 1 . . . . A 24 GLU HA . 30276 1 267 . 1 1 24 24 GLU HB2 H 1 1.996 0.03 . 2 . . . . A 24 GLU HB2 . 30276 1 268 . 1 1 24 24 GLU HB3 H 1 1.957 0.03 . 2 . . . . A 24 GLU HB3 . 30276 1 269 . 1 1 24 24 GLU HG2 H 1 2.276 0.03 . 2 . . . . A 24 GLU HG2 . 30276 1 270 . 1 1 24 24 GLU HG3 H 1 2.276 0.03 . 2 . . . . A 24 GLU HG3 . 30276 1 271 . 1 1 24 24 GLU CA C 13 60.535 0.3 . 1 . . . . A 24 GLU CA . 30276 1 272 . 1 1 24 24 GLU CB C 13 28.741 0.3 . 1 . . . . A 24 GLU CB . 30276 1 273 . 1 1 24 24 GLU CG C 13 35.792 0.3 . 1 . . . . A 24 GLU CG . 30276 1 274 . 1 1 25 25 ASN H H 1 7.868 0.03 . 1 . . . . A 25 ASN H . 30276 1 275 . 1 1 25 25 ASN HA H 1 4.485 0.03 . 1 . . . . A 25 ASN HA . 30276 1 276 . 1 1 25 25 ASN HB2 H 1 3.135 0.03 . 2 . . . . A 25 ASN HB2 . 30276 1 277 . 1 1 25 25 ASN HB3 H 1 2.782 0.03 . 2 . . . . A 25 ASN HB3 . 30276 1 278 . 1 1 25 25 ASN CA C 13 55.942 0.3 . 1 . . . . A 25 ASN CA . 30276 1 279 . 1 1 25 25 ASN CB C 13 38.294 0.3 . 1 . . . . A 25 ASN CB . 30276 1 280 . 1 1 25 25 ASN N N 15 121.341 0.3 . 1 . . . . A 25 ASN N . 30276 1 281 . 1 1 26 26 VAL H H 1 8.070 0.03 . 1 . . . . A 26 VAL H . 30276 1 282 . 1 1 26 26 VAL HA H 1 3.333 0.03 . 1 . . . . A 26 VAL HA . 30276 1 283 . 1 1 26 26 VAL HB H 1 2.292 0.03 . 1 . . . . A 26 VAL HB . 30276 1 284 . 1 1 26 26 VAL HG11 H 1 0.909 0.03 . 2 . . . . A 26 VAL HG11 . 30276 1 285 . 1 1 26 26 VAL HG12 H 1 0.909 0.03 . 2 . . . . A 26 VAL HG12 . 30276 1 286 . 1 1 26 26 VAL HG13 H 1 0.909 0.03 . 2 . . . . A 26 VAL HG13 . 30276 1 287 . 1 1 26 26 VAL HG21 H 1 0.633 0.03 . 2 . . . . A 26 VAL HG21 . 30276 1 288 . 1 1 26 26 VAL HG22 H 1 0.633 0.03 . 2 . . . . A 26 VAL HG22 . 30276 1 289 . 1 1 26 26 VAL HG23 H 1 0.633 0.03 . 2 . . . . A 26 VAL HG23 . 30276 1 290 . 1 1 26 26 VAL CA C 13 67.623 0.3 . 1 . . . . A 26 VAL CA . 30276 1 291 . 1 1 26 26 VAL CB C 13 30.771 0.3 . 1 . . . . A 26 VAL CB . 30276 1 292 . 1 1 26 26 VAL CG1 C 13 23.655 0.3 . 2 . . . . A 26 VAL CG1 . 30276 1 293 . 1 1 26 26 VAL CG2 C 13 21.107 0.3 . 2 . . . . A 26 VAL CG2 . 30276 1 294 . 1 1 26 26 VAL N N 15 121.492 0.3 . 1 . . . . A 26 VAL N . 30276 1 295 . 1 1 27 27 LYS H H 1 8.550 0.03 . 1 . . . . A 27 LYS H . 30276 1 296 . 1 1 27 27 LYS HA H 1 4.528 0.03 . 1 . . . . A 27 LYS HA . 30276 1 297 . 1 1 27 27 LYS HB2 H 1 1.383 0.03 . 2 . . . . A 27 LYS HB2 . 30276 1 298 . 1 1 27 27 LYS HB3 H 1 1.905 0.03 . 2 . . . . A 27 LYS HB3 . 30276 1 299 . 1 1 27 27 LYS HG2 H 1 1.401 0.03 . 2 . . . . A 27 LYS HG2 . 30276 1 300 . 1 1 27 27 LYS HG3 H 1 1.401 0.03 . 2 . . . . A 27 LYS HG3 . 30276 1 301 . 1 1 27 27 LYS HD2 H 1 1.601 0.03 . 2 . . . . A 27 LYS HD2 . 30276 1 302 . 1 1 27 27 LYS HD3 H 1 1.601 0.03 . 2 . . . . A 27 LYS HD3 . 30276 1 303 . 1 1 27 27 LYS HE2 H 1 2.652 0.03 . 2 . . . . A 27 LYS HE2 . 30276 1 304 . 1 1 27 27 LYS HE3 H 1 2.510 0.03 . 2 . . . . A 27 LYS HE3 . 30276 1 305 . 1 1 27 27 LYS CA C 13 59.198 0.3 . 1 . . . . A 27 LYS CA . 30276 1 306 . 1 1 27 27 LYS CB C 13 33.695 0.3 . 1 . . . . A 27 LYS CB . 30276 1 307 . 1 1 27 27 LYS CG C 13 26.361 0.3 . 1 . . . . A 27 LYS CG . 30276 1 308 . 1 1 27 27 LYS CD C 13 30.374 0.3 . 1 . . . . A 27 LYS CD . 30276 1 309 . 1 1 27 27 LYS CE C 13 42.521 0.3 . 1 . . . . A 27 LYS CE . 30276 1 310 . 1 1 27 27 LYS N N 15 119.156 0.3 . 1 . . . . A 27 LYS N . 30276 1 311 . 1 1 28 28 ALA H H 1 7.964 0.03 . 1 . . . . A 28 ALA H . 30276 1 312 . 1 1 28 28 ALA HA H 1 4.095 0.03 . 1 . . . . A 28 ALA HA . 30276 1 313 . 1 1 28 28 ALA HB1 H 1 1.551 0.03 . 1 . . . . A 28 ALA HB1 . 30276 1 314 . 1 1 28 28 ALA HB2 H 1 1.551 0.03 . 1 . . . . A 28 ALA HB2 . 30276 1 315 . 1 1 28 28 ALA HB3 H 1 1.551 0.03 . 1 . . . . A 28 ALA HB3 . 30276 1 316 . 1 1 28 28 ALA CA C 13 55.240 0.3 . 1 . . . . A 28 ALA CA . 30276 1 317 . 1 1 28 28 ALA CB C 13 17.744 0.3 . 1 . . . . A 28 ALA CB . 30276 1 318 . 1 1 28 28 ALA N N 15 123.647 0.3 . 1 . . . . A 28 ALA N . 30276 1 319 . 1 1 29 29 LYS H H 1 7.915 0.03 . 1 . . . . A 29 LYS H . 30276 1 320 . 1 1 29 29 LYS HA H 1 4.143 0.03 . 1 . . . . A 29 LYS HA . 30276 1 321 . 1 1 29 29 LYS HB2 H 1 2.122 0.03 . 2 . . . . A 29 LYS HB2 . 30276 1 322 . 1 1 29 29 LYS HB3 H 1 1.845 0.03 . 2 . . . . A 29 LYS HB3 . 30276 1 323 . 1 1 29 29 LYS HG2 H 1 1.733 0.03 . 2 . . . . A 29 LYS HG2 . 30276 1 324 . 1 1 29 29 LYS HG3 H 1 1.530 0.03 . 2 . . . . A 29 LYS HG3 . 30276 1 325 . 1 1 29 29 LYS HD2 H 1 1.732 0.03 . 2 . . . . A 29 LYS HD2 . 30276 1 326 . 1 1 29 29 LYS HD3 H 1 1.386 0.03 . 2 . . . . A 29 LYS HD3 . 30276 1 327 . 1 1 29 29 LYS HE2 H 1 2.898 0.03 . 2 . . . . A 29 LYS HE2 . 30276 1 328 . 1 1 29 29 LYS HE3 H 1 2.898 0.03 . 2 . . . . A 29 LYS HE3 . 30276 1 329 . 1 1 29 29 LYS CA C 13 59.714 0.3 . 1 . . . . A 29 LYS CA . 30276 1 330 . 1 1 29 29 LYS CB C 13 33.502 0.3 . 1 . . . . A 29 LYS CB . 30276 1 331 . 1 1 29 29 LYS CG C 13 26.461 0.3 . 1 . . . . A 29 LYS CG . 30276 1 332 . 1 1 29 29 LYS CD C 13 30.140 0.3 . 1 . . . . A 29 LYS CD . 30276 1 333 . 1 1 29 29 LYS CE C 13 42.231 0.3 . 1 . . . . A 29 LYS CE . 30276 1 334 . 1 1 29 29 LYS N N 15 120.650 0.3 . 1 . . . . A 29 LYS N . 30276 1 335 . 1 1 30 30 ILE H H 1 8.222 0.03 . 1 . . . . A 30 ILE H . 30276 1 336 . 1 1 30 30 ILE HA H 1 3.434 0.03 . 1 . . . . A 30 ILE HA . 30276 1 337 . 1 1 30 30 ILE HB H 1 2.262 0.03 . 1 . . . . A 30 ILE HB . 30276 1 338 . 1 1 30 30 ILE HG12 H 1 0.594 0.03 . 2 . . . . A 30 ILE HG12 . 30276 1 339 . 1 1 30 30 ILE HG13 H 1 1.937 0.03 . 2 . . . . A 30 ILE HG13 . 30276 1 340 . 1 1 30 30 ILE HG21 H 1 0.635 0.03 . 1 . . . . A 30 ILE HG21 . 30276 1 341 . 1 1 30 30 ILE HG22 H 1 0.635 0.03 . 1 . . . . A 30 ILE HG22 . 30276 1 342 . 1 1 30 30 ILE HG23 H 1 0.635 0.03 . 1 . . . . A 30 ILE HG23 . 30276 1 343 . 1 1 30 30 ILE HD11 H 1 0.824 0.03 . 1 . . . . A 30 ILE HD11 . 30276 1 344 . 1 1 30 30 ILE HD12 H 1 0.824 0.03 . 1 . . . . A 30 ILE HD12 . 30276 1 345 . 1 1 30 30 ILE HD13 H 1 0.824 0.03 . 1 . . . . A 30 ILE HD13 . 30276 1 346 . 1 1 30 30 ILE CA C 13 66.140 0.3 . 1 . . . . A 30 ILE CA . 30276 1 347 . 1 1 30 30 ILE CB C 13 36.750 0.3 . 1 . . . . A 30 ILE CB . 30276 1 348 . 1 1 30 30 ILE CG1 C 13 31.076 0.3 . 1 . . . . A 30 ILE CG1 . 30276 1 349 . 1 1 30 30 ILE CG2 C 13 16.976 0.3 . 1 . . . . A 30 ILE CG2 . 30276 1 350 . 1 1 30 30 ILE CD1 C 13 14.944 0.3 . 1 . . . . A 30 ILE CD1 . 30276 1 351 . 1 1 30 30 ILE N N 15 121.644 0.3 . 1 . . . . A 30 ILE N . 30276 1 352 . 1 1 31 31 GLN H H 1 8.473 0.03 . 1 . . . . A 31 GLN H . 30276 1 353 . 1 1 31 31 GLN HA H 1 3.782 0.03 . 1 . . . . A 31 GLN HA . 30276 1 354 . 1 1 31 31 GLN HB2 H 1 1.902 0.03 . 2 . . . . A 31 GLN HB2 . 30276 1 355 . 1 1 31 31 GLN HB3 H 1 2.384 0.03 . 2 . . . . A 31 GLN HB3 . 30276 1 356 . 1 1 31 31 GLN HG2 H 1 1.841 0.03 . 2 . . . . A 31 GLN HG2 . 30276 1 357 . 1 1 31 31 GLN HG3 H 1 2.211 0.03 . 2 . . . . A 31 GLN HG3 . 30276 1 358 . 1 1 31 31 GLN CA C 13 60.003 0.3 . 1 . . . . A 31 GLN CA . 30276 1 359 . 1 1 31 31 GLN CB C 13 27.731 0.3 . 1 . . . . A 31 GLN CB . 30276 1 360 . 1 1 31 31 GLN CG C 13 33.781 0.3 . 1 . . . . A 31 GLN CG . 30276 1 361 . 1 1 31 31 GLN N N 15 123.768 0.3 . 1 . . . . A 31 GLN N . 30276 1 362 . 1 1 32 32 ASP H H 1 8.125 0.03 . 1 . . . . A 32 ASP H . 30276 1 363 . 1 1 32 32 ASP HA H 1 4.269 0.03 . 1 . . . . A 32 ASP HA . 30276 1 364 . 1 1 32 32 ASP HB2 H 1 2.786 0.03 . 2 . . . . A 32 ASP HB2 . 30276 1 365 . 1 1 32 32 ASP HB3 H 1 2.684 0.03 . 2 . . . . A 32 ASP HB3 . 30276 1 366 . 1 1 32 32 ASP CA C 13 57.423 0.3 . 1 . . . . A 32 ASP CA . 30276 1 367 . 1 1 32 32 ASP CB C 13 40.965 0.3 . 1 . . . . A 32 ASP CB . 30276 1 368 . 1 1 32 32 ASP N N 15 120.339 0.3 . 1 . . . . A 32 ASP N . 30276 1 369 . 1 1 33 33 LYS H H 1 7.474 0.03 . 1 . . . . A 33 LYS H . 30276 1 370 . 1 1 33 33 LYS HA H 1 4.230 0.03 . 1 . . . . A 33 LYS HA . 30276 1 371 . 1 1 33 33 LYS HB2 H 1 1.931 0.03 . 2 . . . . A 33 LYS HB2 . 30276 1 372 . 1 1 33 33 LYS HB3 H 1 1.780 0.03 . 2 . . . . A 33 LYS HB3 . 30276 1 373 . 1 1 33 33 LYS HG2 H 1 1.544 0.03 . 2 . . . . A 33 LYS HG2 . 30276 1 374 . 1 1 33 33 LYS HG3 H 1 1.544 0.03 . 2 . . . . A 33 LYS HG3 . 30276 1 375 . 1 1 33 33 LYS HD2 H 1 1.644 0.03 . 2 . . . . A 33 LYS HD2 . 30276 1 376 . 1 1 33 33 LYS HD3 H 1 1.644 0.03 . 2 . . . . A 33 LYS HD3 . 30276 1 377 . 1 1 33 33 LYS HE2 H 1 3.083 0.03 . 2 . . . . A 33 LYS HE2 . 30276 1 378 . 1 1 33 33 LYS HE3 H 1 3.083 0.03 . 2 . . . . A 33 LYS HE3 . 30276 1 379 . 1 1 33 33 LYS CA C 13 58.258 0.3 . 1 . . . . A 33 LYS CA . 30276 1 380 . 1 1 33 33 LYS CB C 13 33.974 0.3 . 1 . . . . A 33 LYS CB . 30276 1 381 . 1 1 33 33 LYS CG C 13 25.262 0.3 . 1 . . . . A 33 LYS CG . 30276 1 382 . 1 1 33 33 LYS CD C 13 28.947 0.3 . 1 . . . . A 33 LYS CD . 30276 1 383 . 1 1 33 33 LYS CE C 13 42.168 0.3 . 1 . . . . A 33 LYS CE . 30276 1 384 . 1 1 33 33 LYS N N 15 115.825 0.3 . 1 . . . . A 33 LYS N . 30276 1 385 . 1 1 34 34 GLU H H 1 8.618 0.03 . 1 . . . . A 34 GLU H . 30276 1 386 . 1 1 34 34 GLU HA H 1 4.522 0.03 . 1 . . . . A 34 GLU HA . 30276 1 387 . 1 1 34 34 GLU HB2 H 1 2.183 0.03 . 2 . . . . A 34 GLU HB2 . 30276 1 388 . 1 1 34 34 GLU HB3 H 1 1.614 0.03 . 2 . . . . A 34 GLU HB3 . 30276 1 389 . 1 1 34 34 GLU HG2 H 1 1.985 0.03 . 2 . . . . A 34 GLU HG2 . 30276 1 390 . 1 1 34 34 GLU HG3 H 1 2.066 0.03 . 2 . . . . A 34 GLU HG3 . 30276 1 391 . 1 1 34 34 GLU CA C 13 55.351 0.3 . 1 . . . . A 34 GLU CA . 30276 1 392 . 1 1 34 34 GLU CB C 13 33.060 0.3 . 1 . . . . A 34 GLU CB . 30276 1 393 . 1 1 34 34 GLU CG C 13 35.938 0.3 . 1 . . . . A 34 GLU CG . 30276 1 394 . 1 1 34 34 GLU N N 15 114.061 0.3 . 1 . . . . A 34 GLU N . 30276 1 395 . 1 1 35 35 GLY H H 1 8.467 0.03 . 1 . . . . A 35 GLY H . 30276 1 396 . 1 1 35 35 GLY HA2 H 1 4.058 0.03 . 2 . . . . A 35 GLY HA2 . 30276 1 397 . 1 1 35 35 GLY HA3 H 1 3.840 0.03 . 2 . . . . A 35 GLY HA3 . 30276 1 398 . 1 1 35 35 GLY CA C 13 45.975 0.3 . 1 . . . . A 35 GLY CA . 30276 1 399 . 1 1 35 35 GLY N N 15 109.309 0.3 . 1 . . . . A 35 GLY N . 30276 1 400 . 1 1 36 36 ILE H H 1 6.074 0.03 . 1 . . . . A 36 ILE H . 30276 1 401 . 1 1 36 36 ILE HA H 1 4.322 0.03 . 1 . . . . A 36 ILE HA . 30276 1 402 . 1 1 36 36 ILE HB H 1 1.348 0.03 . 1 . . . . A 36 ILE HB . 30276 1 403 . 1 1 36 36 ILE HG12 H 1 1.022 0.03 . 2 . . . . A 36 ILE HG12 . 30276 1 404 . 1 1 36 36 ILE HG13 H 1 1.317 0.03 . 2 . . . . A 36 ILE HG13 . 30276 1 405 . 1 1 36 36 ILE HG21 H 1 0.868 0.03 . 1 . . . . A 36 ILE HG21 . 30276 1 406 . 1 1 36 36 ILE HG22 H 1 0.868 0.03 . 1 . . . . A 36 ILE HG22 . 30276 1 407 . 1 1 36 36 ILE HG23 H 1 0.868 0.03 . 1 . . . . A 36 ILE HG23 . 30276 1 408 . 1 1 36 36 ILE HD11 H 1 0.708 0.03 . 1 . . . . A 36 ILE HD11 . 30276 1 409 . 1 1 36 36 ILE HD12 H 1 0.708 0.03 . 1 . . . . A 36 ILE HD12 . 30276 1 410 . 1 1 36 36 ILE HD13 H 1 0.708 0.03 . 1 . . . . A 36 ILE HD13 . 30276 1 411 . 1 1 36 36 ILE CA C 13 57.819 0.3 . 1 . . . . A 36 ILE CA . 30276 1 412 . 1 1 36 36 ILE CB C 13 40.519 0.3 . 1 . . . . A 36 ILE CB . 30276 1 413 . 1 1 36 36 ILE CG1 C 13 26.608 0.3 . 1 . . . . A 36 ILE CG1 . 30276 1 414 . 1 1 36 36 ILE CG2 C 13 18.116 0.3 . 1 . . . . A 36 ILE CG2 . 30276 1 415 . 1 1 36 36 ILE CD1 C 13 13.479 0.3 . 1 . . . . A 36 ILE CD1 . 30276 1 416 . 1 1 36 36 ILE N N 15 120.654 0.3 . 1 . . . . A 36 ILE N . 30276 1 417 . 1 1 37 37 PRO HA H 1 4.546 0.03 . 1 . . . . A 37 PRO HA . 30276 1 418 . 1 1 37 37 PRO HB2 H 1 1.884 0.03 . 2 . . . . A 37 PRO HB2 . 30276 1 419 . 1 1 37 37 PRO HB3 H 1 2.301 0.03 . 2 . . . . A 37 PRO HB3 . 30276 1 420 . 1 1 37 37 PRO HG2 H 1 1.932 0.03 . 2 . . . . A 37 PRO HG2 . 30276 1 421 . 1 1 37 37 PRO HG3 H 1 1.932 0.03 . 2 . . . . A 37 PRO HG3 . 30276 1 422 . 1 1 37 37 PRO HD2 H 1 3.509 0.03 . 2 . . . . A 37 PRO HD2 . 30276 1 423 . 1 1 37 37 PRO HD3 H 1 4.107 0.03 . 2 . . . . A 37 PRO HD3 . 30276 1 424 . 1 1 37 37 PRO CA C 13 61.569 0.3 . 1 . . . . A 37 PRO CA . 30276 1 425 . 1 1 37 37 PRO CB C 13 31.608 0.3 . 1 . . . . A 37 PRO CB . 30276 1 426 . 1 1 37 37 PRO CG C 13 28.205 0.3 . 1 . . . . A 37 PRO CG . 30276 1 427 . 1 1 37 37 PRO CD C 13 50.954 0.3 . 1 . . . . A 37 PRO CD . 30276 1 428 . 1 1 38 38 PRO HA H 1 4.046 0.03 . 1 . . . . A 38 PRO HA . 30276 1 429 . 1 1 38 38 PRO HB2 H 1 1.944 0.03 . 2 . . . . A 38 PRO HB2 . 30276 1 430 . 1 1 38 38 PRO HB3 H 1 2.187 0.03 . 2 . . . . A 38 PRO HB3 . 30276 1 431 . 1 1 38 38 PRO HG2 H 1 2.102 0.03 . 2 . . . . A 38 PRO HG2 . 30276 1 432 . 1 1 38 38 PRO HG3 H 1 1.542 0.03 . 2 . . . . A 38 PRO HG3 . 30276 1 433 . 1 1 38 38 PRO HD2 H 1 3.671 0.03 . 2 . . . . A 38 PRO HD2 . 30276 1 434 . 1 1 38 38 PRO HD3 H 1 3.671 0.03 . 2 . . . . A 38 PRO HD3 . 30276 1 435 . 1 1 38 38 PRO CA C 13 66.009 0.3 . 1 . . . . A 38 PRO CA . 30276 1 436 . 1 1 38 38 PRO CB C 13 32.888 0.3 . 1 . . . . A 38 PRO CB . 30276 1 437 . 1 1 38 38 PRO CG C 13 27.670 0.3 . 1 . . . . A 38 PRO CG . 30276 1 438 . 1 1 38 38 PRO CD C 13 50.954 0.3 . 1 . . . . A 38 PRO CD . 30276 1 439 . 1 1 39 39 ASP H H 1 8.491 0.03 . 1 . . . . A 39 ASP H . 30276 1 440 . 1 1 39 39 ASP HA H 1 4.324 0.03 . 1 . . . . A 39 ASP HA . 30276 1 441 . 1 1 39 39 ASP HB2 H 1 2.708 0.03 . 2 . . . . A 39 ASP HB2 . 30276 1 442 . 1 1 39 39 ASP HB3 H 1 2.616 0.03 . 2 . . . . A 39 ASP HB3 . 30276 1 443 . 1 1 39 39 ASP CA C 13 55.650 0.3 . 1 . . . . A 39 ASP CA . 30276 1 444 . 1 1 39 39 ASP CB C 13 39.624 0.3 . 1 . . . . A 39 ASP CB . 30276 1 445 . 1 1 39 39 ASP N N 15 113.854 0.3 . 1 . . . . A 39 ASP N . 30276 1 446 . 1 1 40 40 GLN H H 1 7.748 0.03 . 1 . . . . A 40 GLN H . 30276 1 447 . 1 1 40 40 GLN HA H 1 4.387 0.03 . 1 . . . . A 40 GLN HA . 30276 1 448 . 1 1 40 40 GLN HB2 H 1 2.326 0.03 . 2 . . . . A 40 GLN HB2 . 30276 1 449 . 1 1 40 40 GLN HB3 H 1 1.768 0.03 . 2 . . . . A 40 GLN HB3 . 30276 1 450 . 1 1 40 40 GLN HG2 H 1 2.349 0.03 . 2 . . . . A 40 GLN HG2 . 30276 1 451 . 1 1 40 40 GLN HG3 H 1 2.349 0.03 . 2 . . . . A 40 GLN HG3 . 30276 1 452 . 1 1 40 40 GLN HE21 H 1 6.659 0.03 . 2 . . . . A 40 GLN HE21 . 30276 1 453 . 1 1 40 40 GLN HE22 H 1 7.573 0.03 . 2 . . . . A 40 GLN HE22 . 30276 1 454 . 1 1 40 40 GLN CA C 13 55.554 0.3 . 1 . . . . A 40 GLN CA . 30276 1 455 . 1 1 40 40 GLN CB C 13 30.277 0.3 . 1 . . . . A 40 GLN CB . 30276 1 456 . 1 1 40 40 GLN CG C 13 34.657 0.3 . 1 . . . . A 40 GLN CG . 30276 1 457 . 1 1 40 40 GLN N N 15 117.469 0.3 . 1 . . . . A 40 GLN N . 30276 1 458 . 1 1 41 41 GLN H H 1 7.394 0.03 . 1 . . . . A 41 GLN H . 30276 1 459 . 1 1 41 41 GLN HA H 1 4.052 0.03 . 1 . . . . A 41 GLN HA . 30276 1 460 . 1 1 41 41 GLN N N 15 117.983 0.3 . 1 . . . . A 41 GLN N . 30276 1 461 . 1 1 42 42 ARG H H 1 8.645 0.03 . 1 . . . . A 42 ARG H . 30276 1 462 . 1 1 42 42 ARG HA H 1 4.415 0.03 . 1 . . . . A 42 ARG HA . 30276 1 463 . 1 1 42 42 ARG HB2 H 1 1.599 0.03 . 2 . . . . A 42 ARG HB2 . 30276 1 464 . 1 1 42 42 ARG HB3 H 1 1.805 0.03 . 2 . . . . A 42 ARG HB3 . 30276 1 465 . 1 1 42 42 ARG HG2 H 1 1.248 0.03 . 2 . . . . A 42 ARG HG2 . 30276 1 466 . 1 1 42 42 ARG HG3 H 1 1.505 0.03 . 2 . . . . A 42 ARG HG3 . 30276 1 467 . 1 1 42 42 ARG HD2 H 1 2.786 0.03 . 2 . . . . A 42 ARG HD2 . 30276 1 468 . 1 1 42 42 ARG HD3 H 1 3.004 0.03 . 2 . . . . A 42 ARG HD3 . 30276 1 469 . 1 1 42 42 ARG CA C 13 55.199 0.3 . 1 . . . . A 42 ARG CA . 30276 1 470 . 1 1 42 42 ARG CB C 13 32.177 0.3 . 1 . . . . A 42 ARG CB . 30276 1 471 . 1 1 42 42 ARG CG C 13 26.377 0.3 . 1 . . . . A 42 ARG CG . 30276 1 472 . 1 1 42 42 ARG CD C 13 45.357 0.3 . 1 . . . . A 42 ARG CD . 30276 1 473 . 1 1 42 42 ARG N N 15 124.621 0.3 . 1 . . . . A 42 ARG N . 30276 1 474 . 1 1 43 43 LEU H H 1 8.920 0.03 . 1 . . . . A 43 LEU H . 30276 1 475 . 1 1 43 43 LEU HA H 1 5.043 0.03 . 1 . . . . A 43 LEU HA . 30276 1 476 . 1 1 43 43 LEU HB2 H 1 1.538 0.03 . 2 . . . . A 43 LEU HB2 . 30276 1 477 . 1 1 43 43 LEU HB3 H 1 1.018 0.03 . 2 . . . . A 43 LEU HB3 . 30276 1 478 . 1 1 43 43 LEU HG H 1 1.432 0.03 . 1 . . . . A 43 LEU HG . 30276 1 479 . 1 1 43 43 LEU HD11 H 1 0.684 0.03 . 2 . . . . A 43 LEU HD11 . 30276 1 480 . 1 1 43 43 LEU HD12 H 1 0.684 0.03 . 2 . . . . A 43 LEU HD12 . 30276 1 481 . 1 1 43 43 LEU HD13 H 1 0.684 0.03 . 2 . . . . A 43 LEU HD13 . 30276 1 482 . 1 1 43 43 LEU HD21 H 1 0.699 0.03 . 2 . . . . A 43 LEU HD21 . 30276 1 483 . 1 1 43 43 LEU HD22 H 1 0.699 0.03 . 2 . . . . A 43 LEU HD22 . 30276 1 484 . 1 1 43 43 LEU HD23 H 1 0.699 0.03 . 2 . . . . A 43 LEU HD23 . 30276 1 485 . 1 1 43 43 LEU CA C 13 53.215 0.3 . 1 . . . . A 43 LEU CA . 30276 1 486 . 1 1 43 43 LEU CB C 13 45.201 0.3 . 1 . . . . A 43 LEU CB . 30276 1 487 . 1 1 43 43 LEU CG C 13 26.951 0.3 . 1 . . . . A 43 LEU CG . 30276 1 488 . 1 1 43 43 LEU CD1 C 13 24.175 0.3 . 2 . . . . A 43 LEU CD1 . 30276 1 489 . 1 1 43 43 LEU CD2 C 13 26.484 0.3 . 2 . . . . A 43 LEU CD2 . 30276 1 490 . 1 1 43 43 LEU N N 15 124.834 0.3 . 1 . . . . A 43 LEU N . 30276 1 491 . 1 1 44 44 ILE H H 1 9.268 0.03 . 1 . . . . A 44 ILE H . 30276 1 492 . 1 1 44 44 ILE HA H 1 5.096 0.03 . 1 . . . . A 44 ILE HA . 30276 1 493 . 1 1 44 44 ILE HB H 1 1.692 0.03 . 1 . . . . A 44 ILE HB . 30276 1 494 . 1 1 44 44 ILE HG12 H 1 1.169 0.03 . 2 . . . . A 44 ILE HG12 . 30276 1 495 . 1 1 44 44 ILE HG13 H 1 1.234 0.03 . 2 . . . . A 44 ILE HG13 . 30276 1 496 . 1 1 44 44 ILE HG21 H 1 0.629 0.03 . 1 . . . . A 44 ILE HG21 . 30276 1 497 . 1 1 44 44 ILE HG22 H 1 0.629 0.03 . 1 . . . . A 44 ILE HG22 . 30276 1 498 . 1 1 44 44 ILE HG23 H 1 0.629 0.03 . 1 . . . . A 44 ILE HG23 . 30276 1 499 . 1 1 44 44 ILE HD11 H 1 0.680 0.03 . 1 . . . . A 44 ILE HD11 . 30276 1 500 . 1 1 44 44 ILE HD12 H 1 0.680 0.03 . 1 . . . . A 44 ILE HD12 . 30276 1 501 . 1 1 44 44 ILE HD13 H 1 0.680 0.03 . 1 . . . . A 44 ILE HD13 . 30276 1 502 . 1 1 44 44 ILE CA C 13 58.488 0.3 . 1 . . . . A 44 ILE CA . 30276 1 503 . 1 1 44 44 ILE CB C 13 41.372 0.3 . 1 . . . . A 44 ILE CB . 30276 1 504 . 1 1 44 44 ILE CG1 C 13 27.825 0.3 . 1 . . . . A 44 ILE CG1 . 30276 1 505 . 1 1 44 44 ILE CG2 C 13 17.505 0.3 . 1 . . . . A 44 ILE CG2 . 30276 1 506 . 1 1 44 44 ILE CD1 C 13 13.348 0.3 . 1 . . . . A 44 ILE CD1 . 30276 1 507 . 1 1 44 44 ILE N N 15 120.041 0.3 . 1 . . . . A 44 ILE N . 30276 1 508 . 1 1 45 45 PHE H H 1 8.945 0.03 . 1 . . . . A 45 PHE H . 30276 1 509 . 1 1 45 45 PHE HA H 1 4.936 0.03 . 1 . . . . A 45 PHE HA . 30276 1 510 . 1 1 45 45 PHE HB2 H 1 2.695 0.03 . 2 . . . . A 45 PHE HB2 . 30276 1 511 . 1 1 45 45 PHE HB3 H 1 3.027 0.03 . 2 . . . . A 45 PHE HB3 . 30276 1 512 . 1 1 45 45 PHE HD1 H 1 7.339 0.03 . 3 . . . . A 45 PHE HD1 . 30276 1 513 . 1 1 45 45 PHE HD2 H 1 7.339 0.03 . 3 . . . . A 45 PHE HD2 . 30276 1 514 . 1 1 45 45 PHE CA C 13 57.537 0.3 . 1 . . . . A 45 PHE CA . 30276 1 515 . 1 1 45 45 PHE CB C 13 44.093 0.3 . 1 . . . . A 45 PHE CB . 30276 1 516 . 1 1 45 45 PHE N N 15 126.362 0.3 . 1 . . . . A 45 PHE N . 30276 1 517 . 1 1 46 46 ALA H H 1 8.715 0.03 . 1 . . . . A 46 ALA H . 30276 1 518 . 1 1 46 46 ALA HA H 1 3.629 0.03 . 1 . . . . A 46 ALA HA . 30276 1 519 . 1 1 46 46 ALA HB1 H 1 0.806 0.03 . 1 . . . . A 46 ALA HB1 . 30276 1 520 . 1 1 46 46 ALA HB2 H 1 0.806 0.03 . 1 . . . . A 46 ALA HB2 . 30276 1 521 . 1 1 46 46 ALA HB3 H 1 0.806 0.03 . 1 . . . . A 46 ALA HB3 . 30276 1 522 . 1 1 46 46 ALA CA C 13 52.425 0.3 . 1 . . . . A 46 ALA CA . 30276 1 523 . 1 1 46 46 ALA CB C 13 16.790 0.3 . 1 . . . . A 46 ALA CB . 30276 1 524 . 1 1 46 46 ALA N N 15 131.700 0.03 . 1 . . . . A 46 ALA N . 30276 1 525 . 1 1 47 47 GLY H H 1 8.403 0.03 . 1 . . . . A 47 GLY H . 30276 1 526 . 1 1 47 47 GLY HA2 H 1 3.249 0.03 . 2 . . . . A 47 GLY HA2 . 30276 1 527 . 1 1 47 47 GLY HA3 H 1 4.019 0.03 . 2 . . . . A 47 GLY HA3 . 30276 1 528 . 1 1 47 47 GLY CA C 13 46.236 0.3 . 1 . . . . A 47 GLY CA . 30276 1 529 . 1 1 47 47 GLY N N 15 102.684 0.3 . 1 . . . . A 47 GLY N . 30276 1 530 . 1 1 48 48 LYS H H 1 7.783 0.03 . 1 . . . . A 48 LYS H . 30276 1 531 . 1 1 48 48 LYS HA H 1 4.597 0.03 . 1 . . . . A 48 LYS HA . 30276 1 532 . 1 1 48 48 LYS HB2 H 1 1.785 0.03 . 2 . . . . A 48 LYS HB2 . 30276 1 533 . 1 1 48 48 LYS HB3 H 1 1.785 0.03 . 2 . . . . A 48 LYS HB3 . 30276 1 534 . 1 1 48 48 LYS HG2 H 1 1.480 0.03 . 2 . . . . A 48 LYS HG2 . 30276 1 535 . 1 1 48 48 LYS HG3 H 1 1.480 0.03 . 2 . . . . A 48 LYS HG3 . 30276 1 536 . 1 1 48 48 LYS HD2 H 1 1.855 0.03 . 2 . . . . A 48 LYS HD2 . 30276 1 537 . 1 1 48 48 LYS HD3 H 1 1.800 0.03 . 2 . . . . A 48 LYS HD3 . 30276 1 538 . 1 1 48 48 LYS HE2 H 1 3.116 0.03 . 2 . . . . A 48 LYS HE2 . 30276 1 539 . 1 1 48 48 LYS HE3 H 1 3.116 0.03 . 2 . . . . A 48 LYS HE3 . 30276 1 540 . 1 1 48 48 LYS CA C 13 54.412 0.3 . 1 . . . . A 48 LYS CA . 30276 1 541 . 1 1 48 48 LYS CB C 13 35.199 0.3 . 1 . . . . A 48 LYS CB . 30276 1 542 . 1 1 48 48 LYS CG C 13 24.381 0.3 . 1 . . . . A 48 LYS CG . 30276 1 543 . 1 1 48 48 LYS CD C 13 29.153 0.3 . 1 . . . . A 48 LYS CD . 30276 1 544 . 1 1 48 48 LYS CE C 13 42.207 0.3 . 1 . . . . A 48 LYS CE . 30276 1 545 . 1 1 48 48 LYS N N 15 118.128 0.3 . 1 . . . . A 48 LYS N . 30276 1 546 . 1 1 49 49 GLN H H 1 8.740 0.03 . 1 . . . . A 49 GLN H . 30276 1 547 . 1 1 49 49 GLN HA H 1 4.717 0.03 . 1 . . . . A 49 GLN HA . 30276 1 548 . 1 1 49 49 GLN HB2 H 1 1.928 0.03 . 2 . . . . A 49 GLN HB2 . 30276 1 549 . 1 1 49 49 GLN HB3 H 1 1.928 0.03 . 2 . . . . A 49 GLN HB3 . 30276 1 550 . 1 1 49 49 GLN HG2 H 1 2.149 0.03 . 2 . . . . A 49 GLN HG2 . 30276 1 551 . 1 1 49 49 GLN HG3 H 1 1.942 0.03 . 2 . . . . A 49 GLN HG3 . 30276 1 552 . 1 1 49 49 GLN CA C 13 54.704 0.3 . 1 . . . . A 49 GLN CA . 30276 1 553 . 1 1 49 49 GLN CB C 13 30.377 0.3 . 1 . . . . A 49 GLN CB . 30276 1 554 . 1 1 49 49 GLN CG C 13 35.277 0.3 . 1 . . . . A 49 GLN CG . 30276 1 555 . 1 1 49 49 GLN N N 15 122.127 0.3 . 1 . . . . A 49 GLN N . 30276 1 556 . 1 1 50 50 LEU H H 1 8.534 0.03 . 1 . . . . A 50 LEU H . 30276 1 557 . 1 1 50 50 LEU HA H 1 3.925 0.03 . 1 . . . . A 50 LEU HA . 30276 1 558 . 1 1 50 50 LEU HB2 H 1 0.928 0.03 . 2 . . . . A 50 LEU HB2 . 30276 1 559 . 1 1 50 50 LEU HB3 H 1 1.381 0.03 . 2 . . . . A 50 LEU HB3 . 30276 1 560 . 1 1 50 50 LEU HG H 1 1.324 0.03 . 1 . . . . A 50 LEU HG . 30276 1 561 . 1 1 50 50 LEU HD11 H 1 0.477 0.03 . 2 . . . . A 50 LEU HD11 . 30276 1 562 . 1 1 50 50 LEU HD12 H 1 0.477 0.03 . 2 . . . . A 50 LEU HD12 . 30276 1 563 . 1 1 50 50 LEU HD13 H 1 0.477 0.03 . 2 . . . . A 50 LEU HD13 . 30276 1 564 . 1 1 50 50 LEU HD21 H 1 -0.210 0.03 . 2 . . . . A 50 LEU HD21 . 30276 1 565 . 1 1 50 50 LEU HD22 H 1 -0.210 0.03 . 2 . . . . A 50 LEU HD22 . 30276 1 566 . 1 1 50 50 LEU HD23 H 1 -0.210 0.03 . 2 . . . . A 50 LEU HD23 . 30276 1 567 . 1 1 50 50 LEU CA C 13 54.629 0.3 . 1 . . . . A 50 LEU CA . 30276 1 568 . 1 1 50 50 LEU CB C 13 41.002 0.3 . 1 . . . . A 50 LEU CB . 30276 1 569 . 1 1 50 50 LEU CG C 13 25.841 0.3 . 1 . . . . A 50 LEU CG . 30276 1 570 . 1 1 50 50 LEU CD1 C 13 25.879 0.3 . 2 . . . . A 50 LEU CD1 . 30276 1 571 . 1 1 50 50 LEU CD2 C 13 19.443 0.3 . 2 . . . . A 50 LEU CD2 . 30276 1 572 . 1 1 50 50 LEU N N 15 126.771 0.3 . 1 . . . . A 50 LEU N . 30276 1 573 . 1 1 51 51 GLU H H 1 8.368 0.03 . 1 . . . . A 51 GLU H . 30276 1 574 . 1 1 51 51 GLU HA H 1 4.452 0.03 . 1 . . . . A 51 GLU HA . 30276 1 575 . 1 1 51 51 GLU HB2 H 1 2.180 0.03 . 2 . . . . A 51 GLU HB2 . 30276 1 576 . 1 1 51 51 GLU HB3 H 1 1.858 0.03 . 2 . . . . A 51 GLU HB3 . 30276 1 577 . 1 1 51 51 GLU HG2 H 1 2.327 0.03 . 2 . . . . A 51 GLU HG2 . 30276 1 578 . 1 1 51 51 GLU HG3 H 1 2.422 0.03 . 2 . . . . A 51 GLU HG3 . 30276 1 579 . 1 1 51 51 GLU CA C 13 55.700 0.3 . 1 . . . . A 51 GLU CA . 30276 1 580 . 1 1 51 51 GLU CB C 13 31.793 0.3 . 1 . . . . A 51 GLU CB . 30276 1 581 . 1 1 51 51 GLU CG C 13 36.159 0.3 . 1 . . . . A 51 GLU CG . 30276 1 582 . 1 1 51 51 GLU N N 15 123.561 0.3 . 1 . . . . A 51 GLU N . 30276 1 583 . 1 1 52 52 ASP H H 1 8.127 0.03 . 1 . . . . A 52 ASP H . 30276 1 584 . 1 1 52 52 ASP HA H 1 4.291 0.03 . 1 . . . . A 52 ASP HA . 30276 1 585 . 1 1 52 52 ASP HB2 H 1 2.544 0.03 . 2 . . . . A 52 ASP HB2 . 30276 1 586 . 1 1 52 52 ASP HB3 H 1 2.441 0.03 . 2 . . . . A 52 ASP HB3 . 30276 1 587 . 1 1 52 52 ASP CA C 13 56.678 0.3 . 1 . . . . A 52 ASP CA . 30276 1 588 . 1 1 52 52 ASP CB C 13 40.785 0.3 . 1 . . . . A 52 ASP CB . 30276 1 589 . 1 1 52 52 ASP N N 15 120.820 0.3 . 1 . . . . A 52 ASP N . 30276 1 590 . 1 1 53 53 GLY HA2 H 1 3.953 0.03 . 2 . . . . A 53 GLY HA2 . 30276 1 591 . 1 1 53 53 GLY HA3 H 1 3.953 0.03 . 2 . . . . A 53 GLY HA3 . 30276 1 592 . 1 1 53 53 GLY CA C 13 45.124 0.3 . 1 . . . . A 53 GLY CA . 30276 1 593 . 1 1 54 54 ARG H H 1 7.438 0.03 . 1 . . . . A 54 ARG H . 30276 1 594 . 1 1 54 54 ARG HA H 1 4.652 0.03 . 1 . . . . A 54 ARG HA . 30276 1 595 . 1 1 54 54 ARG HB2 H 1 1.989 0.03 . 2 . . . . A 54 ARG HB2 . 30276 1 596 . 1 1 54 54 ARG HB3 H 1 2.147 0.03 . 2 . . . . A 54 ARG HB3 . 30276 1 597 . 1 1 54 54 ARG HG2 H 1 1.554 0.03 . 2 . . . . A 54 ARG HG2 . 30276 1 598 . 1 1 54 54 ARG HG3 H 1 1.728 0.03 . 2 . . . . A 54 ARG HG3 . 30276 1 599 . 1 1 54 54 ARG HD2 H 1 3.075 0.03 . 2 . . . . A 54 ARG HD2 . 30276 1 600 . 1 1 54 54 ARG HD3 H 1 3.012 0.03 . 2 . . . . A 54 ARG HD3 . 30276 1 601 . 1 1 54 54 ARG CA C 13 54.315 0.3 . 1 . . . . A 54 ARG CA . 30276 1 602 . 1 1 54 54 ARG CB C 13 32.673 0.3 . 1 . . . . A 54 ARG CB . 30276 1 603 . 1 1 54 54 ARG CG C 13 27.361 0.3 . 1 . . . . A 54 ARG CG . 30276 1 604 . 1 1 54 54 ARG CD C 13 42.871 0.3 . 1 . . . . A 54 ARG CD . 30276 1 605 . 1 1 54 54 ARG N N 15 119.569 0.3 . 1 . . . . A 54 ARG N . 30276 1 606 . 1 1 55 55 THR H H 1 8.801 0.03 . 1 . . . . A 55 THR H . 30276 1 607 . 1 1 55 55 THR HA H 1 5.193 0.03 . 1 . . . . A 55 THR HA . 30276 1 608 . 1 1 55 55 THR HB H 1 4.457 0.03 . 1 . . . . A 55 THR HB . 30276 1 609 . 1 1 55 55 THR HG21 H 1 1.071 0.03 . 1 . . . . A 55 THR HG21 . 30276 1 610 . 1 1 55 55 THR HG22 H 1 1.071 0.03 . 1 . . . . A 55 THR HG22 . 30276 1 611 . 1 1 55 55 THR HG23 H 1 1.071 0.03 . 1 . . . . A 55 THR HG23 . 30276 1 612 . 1 1 55 55 THR CA C 13 59.653 0.3 . 1 . . . . A 55 THR CA . 30276 1 613 . 1 1 55 55 THR CB C 13 72.459 0.3 . 1 . . . . A 55 THR CB . 30276 1 614 . 1 1 55 55 THR CG2 C 13 22.584 0.3 . 1 . . . . A 55 THR CG2 . 30276 1 615 . 1 1 55 55 THR N N 15 109.042 0.3 . 1 . . . . A 55 THR N . 30276 1 616 . 1 1 56 56 LEU H H 1 8.167 0.03 . 1 . . . . A 56 LEU H . 30276 1 617 . 1 1 56 56 LEU HA H 1 4.005 0.03 . 1 . . . . A 56 LEU HA . 30276 1 618 . 1 1 56 56 LEU HB2 H 1 2.055 0.03 . 2 . . . . A 56 LEU HB2 . 30276 1 619 . 1 1 56 56 LEU HB3 H 1 1.145 0.03 . 2 . . . . A 56 LEU HB3 . 30276 1 620 . 1 1 56 56 LEU HG H 1 1.674 0.03 . 1 . . . . A 56 LEU HG . 30276 1 621 . 1 1 56 56 LEU HD11 H 1 0.562 0.03 . 2 . . . . A 56 LEU HD11 . 30276 1 622 . 1 1 56 56 LEU HD12 H 1 0.562 0.03 . 2 . . . . A 56 LEU HD12 . 30276 1 623 . 1 1 56 56 LEU HD13 H 1 0.562 0.03 . 2 . . . . A 56 LEU HD13 . 30276 1 624 . 1 1 56 56 LEU HD21 H 1 0.708 0.03 . 2 . . . . A 56 LEU HD21 . 30276 1 625 . 1 1 56 56 LEU HD22 H 1 0.708 0.03 . 2 . . . . A 56 LEU HD22 . 30276 1 626 . 1 1 56 56 LEU HD23 H 1 0.708 0.03 . 2 . . . . A 56 LEU HD23 . 30276 1 627 . 1 1 56 56 LEU CA C 13 58.584 0.3 . 1 . . . . A 56 LEU CA . 30276 1 628 . 1 1 56 56 LEU CB C 13 40.291 0.3 . 1 . . . . A 56 LEU CB . 30276 1 629 . 1 1 56 56 LEU CG C 13 26.506 0.3 . 1 . . . . A 56 LEU CG . 30276 1 630 . 1 1 56 56 LEU CD1 C 13 23.065 0.3 . 2 . . . . A 56 LEU CD1 . 30276 1 631 . 1 1 56 56 LEU CD2 C 13 26.736 0.3 . 2 . . . . A 56 LEU CD2 . 30276 1 632 . 1 1 56 56 LEU N N 15 118.137 0.3 . 1 . . . . A 56 LEU N . 30276 1 633 . 1 1 57 57 SER H H 1 8.309 0.03 . 1 . . . . A 57 SER H . 30276 1 634 . 1 1 57 57 SER HA H 1 4.196 0.03 . 1 . . . . A 57 SER HA . 30276 1 635 . 1 1 57 57 SER HB2 H 1 3.695 0.03 . 2 . . . . A 57 SER HB2 . 30276 1 636 . 1 1 57 57 SER HB3 H 1 3.792 0.03 . 2 . . . . A 57 SER HB3 . 30276 1 637 . 1 1 57 57 SER CA C 13 61.093 0.3 . 1 . . . . A 57 SER CA . 30276 1 638 . 1 1 57 57 SER CB C 13 62.502 0.3 . 1 . . . . A 57 SER CB . 30276 1 639 . 1 1 57 57 SER N N 15 113.454 0.3 . 1 . . . . A 57 SER N . 30276 1 640 . 1 1 58 58 ASP H H 1 7.867 0.03 . 1 . . . . A 58 ASP H . 30276 1 641 . 1 1 58 58 ASP HA H 1 4.227 0.03 . 1 . . . . A 58 ASP HA . 30276 1 642 . 1 1 58 58 ASP HB2 H 1 2.954 0.03 . 2 . . . . A 58 ASP HB2 . 30276 1 643 . 1 1 58 58 ASP HB3 H 1 2.221 0.03 . 2 . . . . A 58 ASP HB3 . 30276 1 644 . 1 1 58 58 ASP CA C 13 57.417 0.3 . 1 . . . . A 58 ASP CA . 30276 1 645 . 1 1 58 58 ASP CB C 13 40.284 0.3 . 1 . . . . A 58 ASP CB . 30276 1 646 . 1 1 58 58 ASP N N 15 124.673 0.3 . 1 . . . . A 58 ASP N . 30276 1 647 . 1 1 59 59 TYR H H 1 7.203 0.03 . 1 . . . . A 59 TYR H . 30276 1 648 . 1 1 59 59 TYR HA H 1 4.603 0.03 . 1 . . . . A 59 TYR HA . 30276 1 649 . 1 1 59 59 TYR HB2 H 1 2.489 0.03 . 2 . . . . A 59 TYR HB2 . 30276 1 650 . 1 1 59 59 TYR HB3 H 1 3.457 0.03 . 2 . . . . A 59 TYR HB3 . 30276 1 651 . 1 1 59 59 TYR CA C 13 58.298 0.3 . 1 . . . . A 59 TYR CA . 30276 1 652 . 1 1 59 59 TYR CB C 13 39.963 0.3 . 1 . . . . A 59 TYR CB . 30276 1 653 . 1 1 59 59 TYR N N 15 115.831 0.3 . 1 . . . . A 59 TYR N . 30276 1 654 . 1 1 60 60 ASN H H 1 8.097 0.03 . 1 . . . . A 60 ASN H . 30276 1 655 . 1 1 60 60 ASN HA H 1 4.300 0.03 . 1 . . . . A 60 ASN HA . 30276 1 656 . 1 1 60 60 ASN HB2 H 1 3.269 0.03 . 2 . . . . A 60 ASN HB2 . 30276 1 657 . 1 1 60 60 ASN HB3 H 1 2.740 0.03 . 2 . . . . A 60 ASN HB3 . 30276 1 658 . 1 1 60 60 ASN HD21 H 1 7.526 0.03 . 2 . . . . A 60 ASN HD21 . 30276 1 659 . 1 1 60 60 ASN HD22 H 1 6.784 0.03 . 2 . . . . A 60 ASN HD22 . 30276 1 660 . 1 1 60 60 ASN CA C 13 54.146 0.3 . 1 . . . . A 60 ASN CA . 30276 1 661 . 1 1 60 60 ASN CB C 13 37.366 0.3 . 1 . . . . A 60 ASN CB . 30276 1 662 . 1 1 60 60 ASN N N 15 116.027 0.3 . 1 . . . . A 60 ASN N . 30276 1 663 . 1 1 61 61 ILE H H 1 7.230 0.03 . 1 . . . . A 61 ILE H . 30276 1 664 . 1 1 61 61 ILE HA H 1 3.326 0.03 . 1 . . . . A 61 ILE HA . 30276 1 665 . 1 1 61 61 ILE HB H 1 1.339 0.03 . 1 . . . . A 61 ILE HB . 30276 1 666 . 1 1 61 61 ILE HG12 H 1 1.070 0.03 . 2 . . . . A 61 ILE HG12 . 30276 1 667 . 1 1 61 61 ILE HG13 H 1 -0.487 0.03 . 2 . . . . A 61 ILE HG13 . 30276 1 668 . 1 1 61 61 ILE HG21 H 1 0.422 0.03 . 1 . . . . A 61 ILE HG21 . 30276 1 669 . 1 1 61 61 ILE HG22 H 1 0.422 0.03 . 1 . . . . A 61 ILE HG22 . 30276 1 670 . 1 1 61 61 ILE HG23 H 1 0.422 0.03 . 1 . . . . A 61 ILE HG23 . 30276 1 671 . 1 1 61 61 ILE HD11 H 1 0.370 0.03 . 1 . . . . A 61 ILE HD11 . 30276 1 672 . 1 1 61 61 ILE HD12 H 1 0.370 0.03 . 1 . . . . A 61 ILE HD12 . 30276 1 673 . 1 1 61 61 ILE HD13 H 1 0.370 0.03 . 1 . . . . A 61 ILE HD13 . 30276 1 674 . 1 1 61 61 ILE CA C 13 62.648 0.3 . 1 . . . . A 61 ILE CA . 30276 1 675 . 1 1 61 61 ILE CB C 13 36.727 0.3 . 1 . . . . A 61 ILE CB . 30276 1 676 . 1 1 61 61 ILE CG1 C 13 28.538 0.3 . 1 . . . . A 61 ILE CG1 . 30276 1 677 . 1 1 61 61 ILE CG2 C 13 17.419 0.3 . 1 . . . . A 61 ILE CG2 . 30276 1 678 . 1 1 61 61 ILE CD1 C 13 14.702 0.3 . 1 . . . . A 61 ILE CD1 . 30276 1 679 . 1 1 61 61 ILE N N 15 119.227 0.3 . 1 . . . . A 61 ILE N . 30276 1 680 . 1 1 62 62 GLN H H 1 7.593 0.03 . 1 . . . . A 62 GLN H . 30276 1 681 . 1 1 62 62 GLN HA H 1 4.449 0.03 . 1 . . . . A 62 GLN HA . 30276 1 682 . 1 1 62 62 GLN HB2 H 1 2.211 0.03 . 2 . . . . A 62 GLN HB2 . 30276 1 683 . 1 1 62 62 GLN HB3 H 1 1.808 0.03 . 2 . . . . A 62 GLN HB3 . 30276 1 684 . 1 1 62 62 GLN HG2 H 1 2.283 0.03 . 2 . . . . A 62 GLN HG2 . 30276 1 685 . 1 1 62 62 GLN HG3 H 1 2.230 0.03 . 2 . . . . A 62 GLN HG3 . 30276 1 686 . 1 1 62 62 GLN HE21 H 1 7.258 0.03 . 2 . . . . A 62 GLN HE21 . 30276 1 687 . 1 1 62 62 GLN HE22 H 1 6.779 0.03 . 2 . . . . A 62 GLN HE22 . 30276 1 688 . 1 1 62 62 GLN CA C 13 53.595 0.3 . 1 . . . . A 62 GLN CA . 30276 1 689 . 1 1 62 62 GLN CB C 13 31.720 0.3 . 1 . . . . A 62 GLN CB . 30276 1 690 . 1 1 62 62 GLN CG C 13 33.279 0.3 . 1 . . . . A 62 GLN CG . 30276 1 691 . 1 1 62 62 GLN N N 15 125.208 0.3 . 1 . . . . A 62 GLN N . 30276 1 692 . 1 1 63 63 LYS H H 1 8.386 0.03 . 1 . . . . A 63 LYS H . 30276 1 693 . 1 1 63 63 LYS HA H 1 3.908 0.03 . 1 . . . . A 63 LYS HA . 30276 1 694 . 1 1 63 63 LYS HB2 H 1 1.994 0.03 . 2 . . . . A 63 LYS HB2 . 30276 1 695 . 1 1 63 63 LYS HB3 H 1 1.835 0.03 . 2 . . . . A 63 LYS HB3 . 30276 1 696 . 1 1 63 63 LYS HG2 H 1 1.456 0.03 . 2 . . . . A 63 LYS HG2 . 30276 1 697 . 1 1 63 63 LYS HG3 H 1 1.456 0.03 . 2 . . . . A 63 LYS HG3 . 30276 1 698 . 1 1 63 63 LYS HD2 H 1 1.692 0.03 . 2 . . . . A 63 LYS HD2 . 30276 1 699 . 1 1 63 63 LYS HD3 H 1 1.692 0.03 . 2 . . . . A 63 LYS HD3 . 30276 1 700 . 1 1 63 63 LYS HE2 H 1 2.987 0.03 . 2 . . . . A 63 LYS HE2 . 30276 1 701 . 1 1 63 63 LYS HE3 H 1 2.987 0.03 . 2 . . . . A 63 LYS HE3 . 30276 1 702 . 1 1 63 63 LYS CA C 13 58.025 0.3 . 1 . . . . A 63 LYS CA . 30276 1 703 . 1 1 63 63 LYS CB C 13 32.586 0.3 . 1 . . . . A 63 LYS CB . 30276 1 704 . 1 1 63 63 LYS CG C 13 23.998 0.3 . 1 . . . . A 63 LYS CG . 30276 1 705 . 1 1 63 63 LYS CD C 13 29.792 0.3 . 1 . . . . A 63 LYS CD . 30276 1 706 . 1 1 63 63 LYS CE C 13 42.022 0.3 . 1 . . . . A 63 LYS CE . 30276 1 707 . 1 1 63 63 LYS N N 15 120.684 0.3 . 1 . . . . A 63 LYS N . 30276 1 708 . 1 1 64 64 GLU H H 1 9.282 0.03 . 1 . . . . A 64 GLU H . 30276 1 709 . 1 1 64 64 GLU HA H 1 3.295 0.03 . 1 . . . . A 64 GLU HA . 30276 1 710 . 1 1 64 64 GLU HB2 H 1 2.397 0.03 . 2 . . . . A 64 GLU HB2 . 30276 1 711 . 1 1 64 64 GLU HB3 H 1 2.351 0.03 . 2 . . . . A 64 GLU HB3 . 30276 1 712 . 1 1 64 64 GLU HG2 H 1 2.159 0.03 . 2 . . . . A 64 GLU HG2 . 30276 1 713 . 1 1 64 64 GLU HG3 H 1 2.214 0.03 . 2 . . . . A 64 GLU HG3 . 30276 1 714 . 1 1 64 64 GLU CA C 13 58.584 0.3 . 1 . . . . A 64 GLU CA . 30276 1 715 . 1 1 64 64 GLU CB C 13 25.960 0.3 . 1 . . . . A 64 GLU CB . 30276 1 716 . 1 1 64 64 GLU CG C 13 37.175 0.3 . 1 . . . . A 64 GLU CG . 30276 1 717 . 1 1 64 64 GLU N N 15 115.314 0.3 . 1 . . . . A 64 GLU N . 30276 1 718 . 1 1 65 65 SER H H 1 7.705 0.03 . 1 . . . . A 65 SER H . 30276 1 719 . 1 1 65 65 SER HA H 1 4.536 0.03 . 1 . . . . A 65 SER HA . 30276 1 720 . 1 1 65 65 SER HB2 H 1 3.598 0.03 . 2 . . . . A 65 SER HB2 . 30276 1 721 . 1 1 65 65 SER HB3 H 1 3.844 0.03 . 2 . . . . A 65 SER HB3 . 30276 1 722 . 1 1 65 65 SER CA C 13 61.112 0.3 . 1 . . . . A 65 SER CA . 30276 1 723 . 1 1 65 65 SER CB C 13 64.934 0.3 . 1 . . . . A 65 SER CB . 30276 1 724 . 1 1 65 65 SER N N 15 115.436 0.3 . 1 . . . . A 65 SER N . 30276 1 725 . 1 1 66 66 THR H H 1 8.639 0.03 . 1 . . . . A 66 THR H . 30276 1 726 . 1 1 66 66 THR HA H 1 5.212 0.03 . 1 . . . . A 66 THR HA . 30276 1 727 . 1 1 66 66 THR HB H 1 3.967 0.03 . 1 . . . . A 66 THR HB . 30276 1 728 . 1 1 66 66 THR HG21 H 1 0.802 0.03 . 1 . . . . A 66 THR HG21 . 30276 1 729 . 1 1 66 66 THR HG22 H 1 0.802 0.03 . 1 . . . . A 66 THR HG22 . 30276 1 730 . 1 1 66 66 THR HG23 H 1 0.802 0.03 . 1 . . . . A 66 THR HG23 . 30276 1 731 . 1 1 66 66 THR CA C 13 62.385 0.3 . 1 . . . . A 66 THR CA . 30276 1 732 . 1 1 66 66 THR CB C 13 70.058 0.3 . 1 . . . . A 66 THR CB . 30276 1 733 . 1 1 66 66 THR CG2 C 13 21.427 0.3 . 1 . . . . A 66 THR CG2 . 30276 1 734 . 1 1 66 66 THR N N 15 117.681 0.3 . 1 . . . . A 66 THR N . 30276 1 735 . 1 1 67 67 LEU H H 1 9.303 0.03 . 1 . . . . A 67 LEU H . 30276 1 736 . 1 1 67 67 LEU HA H 1 4.935 0.03 . 1 . . . . A 67 LEU HA . 30276 1 737 . 1 1 67 67 LEU HB2 H 1 1.562 0.03 . 2 . . . . A 67 LEU HB2 . 30276 1 738 . 1 1 67 67 LEU HB3 H 1 1.562 0.03 . 2 . . . . A 67 LEU HB3 . 30276 1 739 . 1 1 67 67 LEU HG H 1 1.628 0.03 . 1 . . . . A 67 LEU HG . 30276 1 740 . 1 1 67 67 LEU HD11 H 1 0.536 0.03 . 2 . . . . A 67 LEU HD11 . 30276 1 741 . 1 1 67 67 LEU HD12 H 1 0.536 0.03 . 2 . . . . A 67 LEU HD12 . 30276 1 742 . 1 1 67 67 LEU HD13 H 1 0.536 0.03 . 2 . . . . A 67 LEU HD13 . 30276 1 743 . 1 1 67 67 LEU HD21 H 1 0.600 0.03 . 2 . . . . A 67 LEU HD21 . 30276 1 744 . 1 1 67 67 LEU HD22 H 1 0.600 0.03 . 2 . . . . A 67 LEU HD22 . 30276 1 745 . 1 1 67 67 LEU HD23 H 1 0.600 0.03 . 2 . . . . A 67 LEU HD23 . 30276 1 746 . 1 1 67 67 LEU CA C 13 53.910 0.3 . 1 . . . . A 67 LEU CA . 30276 1 747 . 1 1 67 67 LEU CB C 13 44.039 0.3 . 1 . . . . A 67 LEU CB . 30276 1 748 . 1 1 67 67 LEU CG C 13 29.686 0.3 . 1 . . . . A 67 LEU CG . 30276 1 749 . 1 1 67 67 LEU CD1 C 13 25.374 0.3 . 2 . . . . A 67 LEU CD1 . 30276 1 750 . 1 1 67 67 LEU CD2 C 13 24.690 0.3 . 2 . . . . A 67 LEU CD2 . 30276 1 751 . 1 1 67 67 LEU N N 15 127.623 0.3 . 1 . . . . A 67 LEU N . 30276 1 752 . 1 1 68 68 HIS H H 1 9.114 0.03 . 1 . . . . A 68 HIS H . 30276 1 753 . 1 1 68 68 HIS HA H 1 5.298 0.03 . 1 . . . . A 68 HIS HA . 30276 1 754 . 1 1 68 68 HIS HB2 H 1 2.867 0.03 . 2 . . . . A 68 HIS HB2 . 30276 1 755 . 1 1 68 68 HIS HB3 H 1 2.867 0.03 . 2 . . . . A 68 HIS HB3 . 30276 1 756 . 1 1 68 68 HIS CA C 13 56.018 0.3 . 1 . . . . A 68 HIS CA . 30276 1 757 . 1 1 68 68 HIS CB C 13 32.504 0.3 . 1 . . . . A 68 HIS CB . 30276 1 758 . 1 1 68 68 HIS N N 15 118.938 0.3 . 1 . . . . A 68 HIS N . 30276 1 759 . 1 1 69 69 LEU H H 1 8.451 0.03 . 1 . . . . A 69 LEU H . 30276 1 760 . 1 1 69 69 LEU HA H 1 5.077 0.03 . 1 . . . . A 69 LEU HA . 30276 1 761 . 1 1 69 69 LEU HB2 H 1 0.989 0.03 . 2 . . . . A 69 LEU HB2 . 30276 1 762 . 1 1 69 69 LEU HB3 H 1 1.389 0.03 . 2 . . . . A 69 LEU HB3 . 30276 1 763 . 1 1 69 69 LEU HG H 1 1.199 0.03 . 1 . . . . A 69 LEU HG . 30276 1 764 . 1 1 69 69 LEU HD11 H 1 0.639 0.03 . 2 . . . . A 69 LEU HD11 . 30276 1 765 . 1 1 69 69 LEU HD12 H 1 0.639 0.03 . 2 . . . . A 69 LEU HD12 . 30276 1 766 . 1 1 69 69 LEU HD13 H 1 0.639 0.03 . 2 . . . . A 69 LEU HD13 . 30276 1 767 . 1 1 69 69 LEU HD21 H 1 0.625 0.03 . 2 . . . . A 69 LEU HD21 . 30276 1 768 . 1 1 69 69 LEU HD22 H 1 0.625 0.03 . 2 . . . . A 69 LEU HD22 . 30276 1 769 . 1 1 69 69 LEU HD23 H 1 0.625 0.03 . 2 . . . . A 69 LEU HD23 . 30276 1 770 . 1 1 69 69 LEU CA C 13 53.647 0.3 . 1 . . . . A 69 LEU CA . 30276 1 771 . 1 1 69 69 LEU CB C 13 44.512 0.3 . 1 . . . . A 69 LEU CB . 30276 1 772 . 1 1 69 69 LEU CG C 13 27.595 0.3 . 1 . . . . A 69 LEU CG . 30276 1 773 . 1 1 69 69 LEU CD1 C 13 22.812 0.3 . 2 . . . . A 69 LEU CD1 . 30276 1 774 . 1 1 69 69 LEU CD2 C 13 25.961 0.3 . 2 . . . . A 69 LEU CD2 . 30276 1 775 . 1 1 69 69 LEU N N 15 124.594 0.3 . 1 . . . . A 69 LEU N . 30276 1 776 . 1 1 70 70 VAL H H 1 9.208 0.03 . 1 . . . . A 70 VAL H . 30276 1 777 . 1 1 70 70 VAL HA H 1 4.088 0.03 . 1 . . . . A 70 VAL HA . 30276 1 778 . 1 1 70 70 VAL HB H 1 1.801 0.03 . 1 . . . . A 70 VAL HB . 30276 1 779 . 1 1 70 70 VAL HG11 H 1 0.887 0.03 . 2 . . . . A 70 VAL HG11 . 30276 1 780 . 1 1 70 70 VAL HG12 H 1 0.887 0.03 . 2 . . . . A 70 VAL HG12 . 30276 1 781 . 1 1 70 70 VAL HG13 H 1 0.887 0.03 . 2 . . . . A 70 VAL HG13 . 30276 1 782 . 1 1 70 70 VAL HG21 H 1 0.857 0.03 . 2 . . . . A 70 VAL HG21 . 30276 1 783 . 1 1 70 70 VAL HG22 H 1 0.857 0.03 . 2 . . . . A 70 VAL HG22 . 30276 1 784 . 1 1 70 70 VAL HG23 H 1 0.857 0.03 . 2 . . . . A 70 VAL HG23 . 30276 1 785 . 1 1 70 70 VAL CA C 13 61.370 0.3 . 1 . . . . A 70 VAL CA . 30276 1 786 . 1 1 70 70 VAL CB C 13 34.623 0.3 . 1 . . . . A 70 VAL CB . 30276 1 787 . 1 1 70 70 VAL CG1 C 13 21.399 0.3 . 2 . . . . A 70 VAL CG1 . 30276 1 788 . 1 1 70 70 VAL CG2 C 13 21.430 0.3 . 2 . . . . A 70 VAL CG2 . 30276 1 789 . 1 1 70 70 VAL N N 15 129.550 0.3 . 1 . . . . A 70 VAL N . 30276 1 790 . 1 1 71 71 LEU H H 1 8.426 0.03 . 1 . . . . A 71 LEU H . 30276 1 791 . 1 1 71 71 LEU HA H 1 5.075 0.03 . 1 . . . . A 71 LEU HA . 30276 1 792 . 1 1 71 71 LEU HB2 H 1 1.679 0.03 . 2 . . . . A 71 LEU HB2 . 30276 1 793 . 1 1 71 71 LEU HB3 H 1 1.426 0.03 . 2 . . . . A 71 LEU HB3 . 30276 1 794 . 1 1 71 71 LEU HG H 1 1.626 0.03 . 1 . . . . A 71 LEU HG . 30276 1 795 . 1 1 71 71 LEU HD11 H 1 0.771 0.03 . 2 . . . . A 71 LEU HD11 . 30276 1 796 . 1 1 71 71 LEU HD12 H 1 0.771 0.03 . 2 . . . . A 71 LEU HD12 . 30276 1 797 . 1 1 71 71 LEU HD13 H 1 0.771 0.03 . 2 . . . . A 71 LEU HD13 . 30276 1 798 . 1 1 71 71 LEU HD21 H 1 0.894 0.03 . 2 . . . . A 71 LEU HD21 . 30276 1 799 . 1 1 71 71 LEU HD22 H 1 0.894 0.03 . 2 . . . . A 71 LEU HD22 . 30276 1 800 . 1 1 71 71 LEU HD23 H 1 0.894 0.03 . 2 . . . . A 71 LEU HD23 . 30276 1 801 . 1 1 71 71 LEU CA C 13 53.752 0.3 . 1 . . . . A 71 LEU CA . 30276 1 802 . 1 1 71 71 LEU CB C 13 42.005 0.3 . 1 . . . . A 71 LEU CB . 30276 1 803 . 1 1 71 71 LEU CG C 13 28.008 0.3 . 1 . . . . A 71 LEU CG . 30276 1 804 . 1 1 71 71 LEU CD1 C 13 24.290 0.3 . 2 . . . . A 71 LEU CD1 . 30276 1 805 . 1 1 71 71 LEU CD2 C 13 24.909 0.3 . 2 . . . . A 71 LEU CD2 . 30276 1 806 . 1 1 71 71 LEU N N 15 126.276 0.3 . 1 . . . . A 71 LEU N . 30276 1 807 . 1 1 72 72 ARG H H 1 8.921 0.03 . 1 . . . . A 72 ARG H . 30276 1 808 . 1 1 72 72 ARG HA H 1 4.284 0.03 . 1 . . . . A 72 ARG HA . 30276 1 809 . 1 1 72 72 ARG HB2 H 1 1.722 0.03 . 2 . . . . A 72 ARG HB2 . 30276 1 810 . 1 1 72 72 ARG HB3 H 1 1.463 0.03 . 2 . . . . A 72 ARG HB3 . 30276 1 811 . 1 1 72 72 ARG HG2 H 1 1.440 0.03 . 2 . . . . A 72 ARG HG2 . 30276 1 812 . 1 1 72 72 ARG HG3 H 1 1.440 0.03 . 2 . . . . A 72 ARG HG3 . 30276 1 813 . 1 1 72 72 ARG HD2 H 1 3.065 0.03 . 2 . . . . A 72 ARG HD2 . 30276 1 814 . 1 1 72 72 ARG HD3 H 1 3.065 0.03 . 2 . . . . A 72 ARG HD3 . 30276 1 815 . 1 1 72 72 ARG CA C 13 56.202 0.3 . 1 . . . . A 72 ARG CA . 30276 1 816 . 1 1 72 72 ARG CB C 13 31.300 0.3 . 1 . . . . A 72 ARG CB . 30276 1 817 . 1 1 72 72 ARG CG C 13 27.619 0.3 . 1 . . . . A 72 ARG CG . 30276 1 818 . 1 1 72 72 ARG CD C 13 43.600 0.3 . 1 . . . . A 72 ARG CD . 30276 1 819 . 1 1 72 72 ARG N N 15 124.890 0.3 . 1 . . . . A 72 ARG N . 30276 1 820 . 1 1 73 73 LEU H H 1 8.125 0.03 . 1 . . . . A 73 LEU H . 30276 1 821 . 1 1 73 73 LEU HA H 1 4.321 0.03 . 1 . . . . A 73 LEU HA . 30276 1 822 . 1 1 73 73 LEU HB2 H 1 1.511 0.03 . 2 . . . . A 73 LEU HB2 . 30276 1 823 . 1 1 73 73 LEU HB3 H 1 1.585 0.03 . 2 . . . . A 73 LEU HB3 . 30276 1 824 . 1 1 73 73 LEU HG H 1 1.558 0.03 . 1 . . . . A 73 LEU HG . 30276 1 825 . 1 1 73 73 LEU HD11 H 1 0.885 0.03 . 2 . . . . A 73 LEU HD11 . 30276 1 826 . 1 1 73 73 LEU HD12 H 1 0.885 0.03 . 2 . . . . A 73 LEU HD12 . 30276 1 827 . 1 1 73 73 LEU HD13 H 1 0.885 0.03 . 2 . . . . A 73 LEU HD13 . 30276 1 828 . 1 1 73 73 LEU HD21 H 1 0.820 0.03 . 2 . . . . A 73 LEU HD21 . 30276 1 829 . 1 1 73 73 LEU HD22 H 1 0.820 0.03 . 2 . . . . A 73 LEU HD22 . 30276 1 830 . 1 1 73 73 LEU HD23 H 1 0.820 0.03 . 2 . . . . A 73 LEU HD23 . 30276 1 831 . 1 1 73 73 LEU CA C 13 54.820 0.3 . 1 . . . . A 73 LEU CA . 30276 1 832 . 1 1 73 73 LEU CB C 13 42.328 0.3 . 1 . . . . A 73 LEU CB . 30276 1 833 . 1 1 73 73 LEU CG C 13 27.107 0.3 . 1 . . . . A 73 LEU CG . 30276 1 834 . 1 1 73 73 LEU CD1 C 13 24.983 0.3 . 2 . . . . A 73 LEU CD1 . 30276 1 835 . 1 1 73 73 LEU CD2 C 13 23.357 0.3 . 2 . . . . A 73 LEU CD2 . 30276 1 836 . 1 1 73 73 LEU N N 15 123.865 0.3 . 1 . . . . A 73 LEU N . 30276 1 837 . 1 1 74 74 ARG H H 1 8.442 0.03 . 1 . . . . A 74 ARG H . 30276 1 838 . 1 1 74 74 ARG HA H 1 4.214 0.03 . 1 . . . . A 74 ARG HA . 30276 1 839 . 1 1 74 74 ARG HB2 H 1 1.719 0.03 . 2 . . . . A 74 ARG HB2 . 30276 1 840 . 1 1 74 74 ARG HB3 H 1 1.793 0.03 . 2 . . . . A 74 ARG HB3 . 30276 1 841 . 1 1 74 74 ARG HG2 H 1 1.593 0.03 . 2 . . . . A 74 ARG HG2 . 30276 1 842 . 1 1 74 74 ARG HG3 H 1 1.554 0.03 . 2 . . . . A 74 ARG HG3 . 30276 1 843 . 1 1 74 74 ARG HD2 H 1 3.138 0.03 . 2 . . . . A 74 ARG HD2 . 30276 1 844 . 1 1 74 74 ARG HD3 H 1 3.138 0.03 . 2 . . . . A 74 ARG HD3 . 30276 1 845 . 1 1 74 74 ARG CA C 13 56.558 0.3 . 1 . . . . A 74 ARG CA . 30276 1 846 . 1 1 74 74 ARG CB C 13 30.629 0.3 . 1 . . . . A 74 ARG CB . 30276 1 847 . 1 1 74 74 ARG CG C 13 27.035 0.3 . 1 . . . . A 74 ARG CG . 30276 1 848 . 1 1 74 74 ARG CD C 13 43.361 0.3 . 1 . . . . A 74 ARG CD . 30276 1 849 . 1 1 74 74 ARG N N 15 122.585 0.3 . 1 . . . . A 74 ARG N . 30276 1 850 . 1 1 75 75 GLY H H 1 8.442 0.03 . 1 . . . . A 75 GLY H . 30276 1 851 . 1 1 75 75 GLY HA2 H 1 3.894 0.03 . 2 . . . . A 75 GLY HA2 . 30276 1 852 . 1 1 75 75 GLY HA3 H 1 3.894 0.03 . 2 . . . . A 75 GLY HA3 . 30276 1 853 . 1 1 75 75 GLY CA C 13 45.246 0.3 . 1 . . . . A 75 GLY CA . 30276 1 854 . 1 1 75 75 GLY N N 15 111.397 0.3 . 1 . . . . A 75 GLY N . 30276 1 855 . 1 1 76 76 GLY H H 1 7.883 0.03 . 1 . . . . A 76 GLY H . 30276 1 856 . 1 1 76 76 GLY HA2 H 1 3.748 0.03 . 2 . . . . A 76 GLY HA2 . 30276 1 857 . 1 1 76 76 GLY HA3 H 1 3.681 0.03 . 2 . . . . A 76 GLY HA3 . 30276 1 858 . 1 1 76 76 GLY CA C 13 46.032 0.3 . 1 . . . . A 76 GLY CA . 30276 1 859 . 1 1 76 76 GLY N N 15 115.260 0.3 . 1 . . . . A 76 GLY N . 30276 1 860 . 2 2 4 4 GLN H H 1 8.425 0.03 . 1 . . . . B 198 GLN H . 30276 1 861 . 2 2 4 4 GLN HA H 1 4.311 0.03 . 1 . . . . B 198 GLN HA . 30276 1 862 . 2 2 4 4 GLN HB2 H 1 1.903 0.03 . 2 . . . . B 198 GLN HB2 . 30276 1 863 . 2 2 4 4 GLN HB3 H 1 1.985 0.03 . 2 . . . . B 198 GLN HB3 . 30276 1 864 . 2 2 4 4 GLN HG2 H 1 2.271 0.03 . 2 . . . . B 198 GLN HG2 . 30276 1 865 . 2 2 4 4 GLN HG3 H 1 2.271 0.03 . 2 . . . . B 198 GLN HG3 . 30276 1 866 . 2 2 4 4 GLN CA C 13 55.753 0.3 . 1 . . . . B 198 GLN CA . 30276 1 867 . 2 2 4 4 GLN CB C 13 29.569 0.3 . 1 . . . . B 198 GLN CB . 30276 1 868 . 2 2 4 4 GLN CG C 13 33.673 0.3 . 1 . . . . B 198 GLN CG . 30276 1 869 . 2 2 4 4 GLN N N 15 122.686 0.3 . 1 . . . . B 198 GLN N . 30276 1 870 . 2 2 5 5 VAL H H 1 8.221 0.03 . 1 . . . . B 199 VAL H . 30276 1 871 . 2 2 5 5 VAL HA H 1 4.136 0.03 . 1 . . . . B 199 VAL HA . 30276 1 872 . 2 2 5 5 VAL HB H 1 2.002 0.03 . 1 . . . . B 199 VAL HB . 30276 1 873 . 2 2 5 5 VAL HG11 H 1 0.868 0.03 . 2 . . . . B 199 VAL HG11 . 30276 1 874 . 2 2 5 5 VAL HG12 H 1 0.868 0.03 . 2 . . . . B 199 VAL HG12 . 30276 1 875 . 2 2 5 5 VAL HG13 H 1 0.868 0.03 . 2 . . . . B 199 VAL HG13 . 30276 1 876 . 2 2 5 5 VAL HG21 H 1 0.868 0.03 . 2 . . . . B 199 VAL HG21 . 30276 1 877 . 2 2 5 5 VAL HG22 H 1 0.868 0.03 . 2 . . . . B 199 VAL HG22 . 30276 1 878 . 2 2 5 5 VAL HG23 H 1 0.868 0.03 . 2 . . . . B 199 VAL HG23 . 30276 1 879 . 2 2 5 5 VAL CA C 13 61.805 0.3 . 1 . . . . B 199 VAL CA . 30276 1 880 . 2 2 5 5 VAL CB C 13 33.070 0.3 . 1 . . . . B 199 VAL CB . 30276 1 881 . 2 2 5 5 VAL CG1 C 13 20.730 0.3 . 2 . . . . B 199 VAL CG1 . 30276 1 882 . 2 2 5 5 VAL CG2 C 13 20.730 0.3 . 2 . . . . B 199 VAL CG2 . 30276 1 883 . 2 2 5 5 VAL N N 15 122.334 0.3 . 1 . . . . B 199 VAL N . 30276 1 884 . 2 2 6 6 THR H H 1 8.488 0.03 . 1 . . . . B 200 THR H . 30276 1 885 . 2 2 6 6 THR HA H 1 4.186 0.03 . 1 . . . . B 200 THR HA . 30276 1 886 . 2 2 6 6 THR HB H 1 4.028 0.03 . 1 . . . . B 200 THR HB . 30276 1 887 . 2 2 6 6 THR HG21 H 1 1.094 0.03 . 1 . . . . B 200 THR HG21 . 30276 1 888 . 2 2 6 6 THR HG22 H 1 1.094 0.03 . 1 . . . . B 200 THR HG22 . 30276 1 889 . 2 2 6 6 THR HG23 H 1 1.094 0.03 . 1 . . . . B 200 THR HG23 . 30276 1 890 . 2 2 6 6 THR CA C 13 62.883 0.3 . 1 . . . . B 200 THR CA . 30276 1 891 . 2 2 6 6 THR CB C 13 69.513 0.3 . 1 . . . . B 200 THR CB . 30276 1 892 . 2 2 6 6 THR CG2 C 13 22.298 0.3 . 1 . . . . B 200 THR CG2 . 30276 1 893 . 2 2 6 6 THR N N 15 121.970 0.3 . 1 . . . . B 200 THR N . 30276 1 894 . 2 2 7 7 LYS H H 1 8.602 0.03 . 1 . . . . B 201 LYS H . 30276 1 895 . 2 2 7 7 LYS HA H 1 4.753 0.03 . 1 . . . . B 201 LYS HA . 30276 1 896 . 2 2 7 7 LYS HB2 H 1 1.462 0.03 . 2 . . . . B 201 LYS HB2 . 30276 1 897 . 2 2 7 7 LYS HB3 H 1 1.557 0.03 . 2 . . . . B 201 LYS HB3 . 30276 1 898 . 2 2 7 7 LYS HG2 H 1 1.385 0.03 . 2 . . . . B 201 LYS HG2 . 30276 1 899 . 2 2 7 7 LYS HG3 H 1 0.878 0.03 . 2 . . . . B 201 LYS HG3 . 30276 1 900 . 2 2 7 7 LYS HD2 H 1 1.401 0.03 . 2 . . . . B 201 LYS HD2 . 30276 1 901 . 2 2 7 7 LYS HD3 H 1 1.401 0.03 . 2 . . . . B 201 LYS HD3 . 30276 1 902 . 2 2 7 7 LYS HE2 H 1 2.729 0.03 . 2 . . . . B 201 LYS HE2 . 30276 1 903 . 2 2 7 7 LYS HE3 H 1 2.729 0.03 . 2 . . . . B 201 LYS HE3 . 30276 1 904 . 2 2 7 7 LYS CA C 13 55.291 0.3 . 1 . . . . B 201 LYS CA . 30276 1 905 . 2 2 7 7 LYS CB C 13 34.876 0.3 . 1 . . . . B 201 LYS CB . 30276 1 906 . 2 2 7 7 LYS CG C 13 25.290 0.3 . 1 . . . . B 201 LYS CG . 30276 1 907 . 2 2 7 7 LYS CD C 13 28.852 0.3 . 1 . . . . B 201 LYS CD . 30276 1 908 . 2 2 7 7 LYS CE C 13 42.019 0.3 . 1 . . . . B 201 LYS CE . 30276 1 909 . 2 2 7 7 LYS N N 15 126.511 0.3 . 1 . . . . B 201 LYS N . 30276 1 910 . 2 2 8 8 VAL H H 1 8.951 0.03 . 1 . . . . B 202 VAL H . 30276 1 911 . 2 2 8 8 VAL HA H 1 4.495 0.03 . 1 . . . . B 202 VAL HA . 30276 1 912 . 2 2 8 8 VAL HB H 1 2.059 0.03 . 1 . . . . B 202 VAL HB . 30276 1 913 . 2 2 8 8 VAL HG11 H 1 0.609 0.03 . 2 . . . . B 202 VAL HG11 . 30276 1 914 . 2 2 8 8 VAL HG12 H 1 0.609 0.03 . 2 . . . . B 202 VAL HG12 . 30276 1 915 . 2 2 8 8 VAL HG13 H 1 0.609 0.03 . 2 . . . . B 202 VAL HG13 . 30276 1 916 . 2 2 8 8 VAL HG21 H 1 0.708 0.03 . 2 . . . . B 202 VAL HG21 . 30276 1 917 . 2 2 8 8 VAL HG22 H 1 0.708 0.03 . 2 . . . . B 202 VAL HG22 . 30276 1 918 . 2 2 8 8 VAL HG23 H 1 0.708 0.03 . 2 . . . . B 202 VAL HG23 . 30276 1 919 . 2 2 8 8 VAL CA C 13 58.298 0.3 . 1 . . . . B 202 VAL CA . 30276 1 920 . 2 2 8 8 VAL CB C 13 35.374 0.3 . 1 . . . . B 202 VAL CB . 30276 1 921 . 2 2 8 8 VAL CG1 C 13 18.303 0.3 . 2 . . . . B 202 VAL CG1 . 30276 1 922 . 2 2 8 8 VAL CG2 C 13 22.298 0.3 . 2 . . . . B 202 VAL CG2 . 30276 1 923 . 2 2 8 8 VAL N N 15 114.886 0.3 . 1 . . . . B 202 VAL N . 30276 1 924 . 2 2 9 9 ASP H H 1 8.197 0.03 . 1 . . . . B 203 ASP H . 30276 1 925 . 2 2 9 9 ASP HA H 1 5.107 0.03 . 1 . . . . B 203 ASP HA . 30276 1 926 . 2 2 9 9 ASP HB2 H 1 1.996 0.03 . 2 . . . . B 203 ASP HB2 . 30276 1 927 . 2 2 9 9 ASP HB3 H 1 2.259 0.03 . 2 . . . . B 203 ASP HB3 . 30276 1 928 . 2 2 9 9 ASP CA C 13 52.073 0.3 . 1 . . . . B 203 ASP CA . 30276 1 929 . 2 2 9 9 ASP CB C 13 40.937 0.3 . 1 . . . . B 203 ASP CB . 30276 1 930 . 2 2 9 9 ASP N N 15 119.941 0.3 . 1 . . . . B 203 ASP N . 30276 1 931 . 2 2 10 10 CYS H H 1 8.894 0.03 . 1 . . . . B 204 CYS H . 30276 1 932 . 2 2 10 10 CYS HA H 1 4.228 0.03 . 1 . . . . B 204 CYS HA . 30276 1 933 . 2 2 10 10 CYS HB2 H 1 3.055 0.03 . 2 . . . . B 204 CYS HB2 . 30276 1 934 . 2 2 10 10 CYS HB3 H 1 2.363 0.03 . 2 . . . . B 204 CYS HB3 . 30276 1 935 . 2 2 10 10 CYS CA C 13 57.277 0.3 . 1 . . . . B 204 CYS CA . 30276 1 936 . 2 2 10 10 CYS CB C 13 30.630 0.3 . 1 . . . . B 204 CYS CB . 30276 1 937 . 2 2 10 10 CYS N N 15 126.039 0.3 . 1 . . . . B 204 CYS N . 30276 1 938 . 2 2 11 11 PRO HA H 1 4.096 0.03 . 1 . . . . B 205 PRO HA . 30276 1 939 . 2 2 11 11 PRO HB2 H 1 1.544 0.03 . 2 . . . . B 205 PRO HB2 . 30276 1 940 . 2 2 11 11 PRO HB3 H 1 1.271 0.03 . 2 . . . . B 205 PRO HB3 . 30276 1 941 . 2 2 11 11 PRO HG2 H 1 1.612 0.03 . 2 . . . . B 205 PRO HG2 . 30276 1 942 . 2 2 11 11 PRO HG3 H 1 1.612 0.03 . 2 . . . . B 205 PRO HG3 . 30276 1 943 . 2 2 11 11 PRO HD2 H 1 3.779 0.03 . 2 . . . . B 205 PRO HD2 . 30276 1 944 . 2 2 11 11 PRO HD3 H 1 4.077 0.03 . 2 . . . . B 205 PRO HD3 . 30276 1 945 . 2 2 11 11 PRO CA C 13 63.669 0.3 . 1 . . . . B 205 PRO CA . 30276 1 946 . 2 2 11 11 PRO CB C 13 31.188 0.3 . 1 . . . . B 205 PRO CB . 30276 1 947 . 2 2 11 11 PRO CG C 13 26.870 0.3 . 1 . . . . B 205 PRO CG . 30276 1 948 . 2 2 11 11 PRO CD C 13 50.354 0.3 . 1 . . . . B 205 PRO CD . 30276 1 949 . 2 2 12 12 VAL H H 1 9.465 0.03 . 1 . . . . B 206 VAL H . 30276 1 950 . 2 2 12 12 VAL HA H 1 3.749 0.03 . 1 . . . . B 206 VAL HA . 30276 1 951 . 2 2 12 12 VAL HB H 1 2.440 0.03 . 1 . . . . B 206 VAL HB . 30276 1 952 . 2 2 12 12 VAL HG11 H 1 0.718 0.03 . 2 . . . . B 206 VAL HG11 . 30276 1 953 . 2 2 12 12 VAL HG12 H 1 0.718 0.03 . 2 . . . . B 206 VAL HG12 . 30276 1 954 . 2 2 12 12 VAL HG13 H 1 0.718 0.03 . 2 . . . . B 206 VAL HG13 . 30276 1 955 . 2 2 12 12 VAL HG21 H 1 0.577 0.03 . 2 . . . . B 206 VAL HG21 . 30276 1 956 . 2 2 12 12 VAL HG22 H 1 0.577 0.03 . 2 . . . . B 206 VAL HG22 . 30276 1 957 . 2 2 12 12 VAL HG23 H 1 0.577 0.03 . 2 . . . . B 206 VAL HG23 . 30276 1 958 . 2 2 12 12 VAL CA C 13 64.980 0.3 . 1 . . . . B 206 VAL CA . 30276 1 959 . 2 2 12 12 VAL CB C 13 32.233 0.3 . 1 . . . . B 206 VAL CB . 30276 1 960 . 2 2 12 12 VAL CG1 C 13 22.298 0.3 . 2 . . . . B 206 VAL CG1 . 30276 1 961 . 2 2 12 12 VAL CG2 C 13 22.298 0.3 . 2 . . . . B 206 VAL CG2 . 30276 1 962 . 2 2 12 12 VAL N N 15 124.381 0.3 . 1 . . . . B 206 VAL N . 30276 1 963 . 2 2 13 13 CYS H H 1 8.350 0.03 . 1 . . . . B 207 CYS H . 30276 1 964 . 2 2 13 13 CYS HA H 1 4.804 0.03 . 1 . . . . B 207 CYS HA . 30276 1 965 . 2 2 13 13 CYS HB2 H 1 3.132 0.03 . 2 . . . . B 207 CYS HB2 . 30276 1 966 . 2 2 13 13 CYS HB3 H 1 2.420 0.03 . 2 . . . . B 207 CYS HB3 . 30276 1 967 . 2 2 13 13 CYS CA C 13 58.615 0.3 . 1 . . . . B 207 CYS CA . 30276 1 968 . 2 2 13 13 CYS CB C 13 32.588 0.3 . 1 . . . . B 207 CYS CB . 30276 1 969 . 2 2 13 13 CYS N N 15 118.170 0.3 . 1 . . . . B 207 CYS N . 30276 1 970 . 2 2 14 14 GLY H H 1 7.759 0.03 . 1 . . . . B 208 GLY H . 30276 1 971 . 2 2 14 14 GLY HA2 H 1 3.647 0.03 . 2 . . . . B 208 GLY HA2 . 30276 1 972 . 2 2 14 14 GLY HA3 H 1 4.016 0.03 . 2 . . . . B 208 GLY HA3 . 30276 1 973 . 2 2 14 14 GLY CA C 13 46.151 0.3 . 1 . . . . B 208 GLY CA . 30276 1 974 . 2 2 14 14 GLY N N 15 112.996 0.3 . 1 . . . . B 208 GLY N . 30276 1 975 . 2 2 15 15 VAL H H 1 8.113 0.03 . 1 . . . . B 209 VAL H . 30276 1 976 . 2 2 15 15 VAL HA H 1 3.861 0.03 . 1 . . . . B 209 VAL HA . 30276 1 977 . 2 2 15 15 VAL HB H 1 1.969 0.03 . 1 . . . . B 209 VAL HB . 30276 1 978 . 2 2 15 15 VAL HG11 H 1 0.792 0.03 . 2 . . . . B 209 VAL HG11 . 30276 1 979 . 2 2 15 15 VAL HG12 H 1 0.792 0.03 . 2 . . . . B 209 VAL HG12 . 30276 1 980 . 2 2 15 15 VAL HG13 H 1 0.792 0.03 . 2 . . . . B 209 VAL HG13 . 30276 1 981 . 2 2 15 15 VAL HG21 H 1 0.644 0.03 . 2 . . . . B 209 VAL HG21 . 30276 1 982 . 2 2 15 15 VAL HG22 H 1 0.644 0.03 . 2 . . . . B 209 VAL HG22 . 30276 1 983 . 2 2 15 15 VAL HG23 H 1 0.644 0.03 . 2 . . . . B 209 VAL HG23 . 30276 1 984 . 2 2 15 15 VAL CA C 13 63.111 0.3 . 1 . . . . B 209 VAL CA . 30276 1 985 . 2 2 15 15 VAL CB C 13 31.896 0.3 . 1 . . . . B 209 VAL CB . 30276 1 986 . 2 2 15 15 VAL CG1 C 13 22.068 0.3 . 2 . . . . B 209 VAL CG1 . 30276 1 987 . 2 2 15 15 VAL CG2 C 13 21.169 0.3 . 2 . . . . B 209 VAL CG2 . 30276 1 988 . 2 2 15 15 VAL N N 15 122.125 0.3 . 1 . . . . B 209 VAL N . 30276 1 989 . 2 2 16 16 ASN H H 1 8.085 0.03 . 1 . . . . B 210 ASN H . 30276 1 990 . 2 2 16 16 ASN HA H 1 5.223 0.03 . 1 . . . . B 210 ASN HA . 30276 1 991 . 2 2 16 16 ASN HB2 H 1 2.431 0.03 . 2 . . . . B 210 ASN HB2 . 30276 1 992 . 2 2 16 16 ASN HB3 H 1 2.665 0.03 . 2 . . . . B 210 ASN HB3 . 30276 1 993 . 2 2 16 16 ASN HD21 H 1 7.687 0.03 . 2 . . . . B 210 ASN HD21 . 30276 1 994 . 2 2 16 16 ASN HD22 H 1 6.324 0.03 . 2 . . . . B 210 ASN HD22 . 30276 1 995 . 2 2 16 16 ASN CA C 13 53.768 0.3 . 1 . . . . B 210 ASN CA . 30276 1 996 . 2 2 16 16 ASN CB C 13 41.030 0.3 . 1 . . . . B 210 ASN CB . 30276 1 997 . 2 2 16 16 ASN N N 15 124.951 0.3 . 1 . . . . B 210 ASN N . 30276 1 998 . 2 2 16 16 ASN ND2 N 15 111.285 0.3 . 1 . . . . B 210 ASN ND2 . 30276 1 999 . 2 2 17 17 ILE H H 1 9.230 0.03 . 1 . . . . B 211 ILE H . 30276 1 1000 . 2 2 17 17 ILE HA H 1 4.725 0.03 . 1 . . . . B 211 ILE HA . 30276 1 1001 . 2 2 17 17 ILE HB H 1 1.623 0.03 . 1 . . . . B 211 ILE HB . 30276 1 1002 . 2 2 17 17 ILE HG12 H 1 0.948 0.03 . 2 . . . . B 211 ILE HG12 . 30276 1 1003 . 2 2 17 17 ILE HG13 H 1 0.948 0.03 . 2 . . . . B 211 ILE HG13 . 30276 1 1004 . 2 2 17 17 ILE HG21 H 1 0.659 0.03 . 1 . . . . B 211 ILE HG21 . 30276 1 1005 . 2 2 17 17 ILE HG22 H 1 0.659 0.03 . 1 . . . . B 211 ILE HG22 . 30276 1 1006 . 2 2 17 17 ILE HG23 H 1 0.659 0.03 . 1 . . . . B 211 ILE HG23 . 30276 1 1007 . 2 2 17 17 ILE HD11 H 1 0.297 0.03 . 1 . . . . B 211 ILE HD11 . 30276 1 1008 . 2 2 17 17 ILE HD12 H 1 0.297 0.03 . 1 . . . . B 211 ILE HD12 . 30276 1 1009 . 2 2 17 17 ILE HD13 H 1 0.297 0.03 . 1 . . . . B 211 ILE HD13 . 30276 1 1010 . 2 2 17 17 ILE CA C 13 57.736 0.3 . 1 . . . . B 211 ILE CA . 30276 1 1011 . 2 2 17 17 ILE CB C 13 41.782 0.3 . 1 . . . . B 211 ILE CB . 30276 1 1012 . 2 2 17 17 ILE CG1 C 13 25.355 0.3 . 1 . . . . B 211 ILE CG1 . 30276 1 1013 . 2 2 17 17 ILE CG2 C 13 17.582 0.3 . 1 . . . . B 211 ILE CG2 . 30276 1 1014 . 2 2 17 17 ILE CD1 C 13 12.992 0.3 . 1 . . . . B 211 ILE CD1 . 30276 1 1015 . 2 2 17 17 ILE N N 15 124.685 0.3 . 1 . . . . B 211 ILE N . 30276 1 1016 . 2 2 18 18 PRO HA H 1 4.422 0.03 . 1 . . . . B 212 PRO HA . 30276 1 1017 . 2 2 18 18 PRO HB2 H 1 1.534 0.03 . 2 . . . . B 212 PRO HB2 . 30276 1 1018 . 2 2 18 18 PRO HB3 H 1 2.161 0.03 . 2 . . . . B 212 PRO HB3 . 30276 1 1019 . 2 2 18 18 PRO HG2 H 1 1.619 0.03 . 2 . . . . B 212 PRO HG2 . 30276 1 1020 . 2 2 18 18 PRO HG3 H 1 1.784 0.03 . 2 . . . . B 212 PRO HG3 . 30276 1 1021 . 2 2 18 18 PRO HD2 H 1 3.345 0.03 . 2 . . . . B 212 PRO HD2 . 30276 1 1022 . 2 2 18 18 PRO HD3 H 1 3.704 0.03 . 2 . . . . B 212 PRO HD3 . 30276 1 1023 . 2 2 18 18 PRO CA C 13 63.281 0.3 . 1 . . . . B 212 PRO CA . 30276 1 1024 . 2 2 18 18 PRO CB C 13 31.865 0.3 . 1 . . . . B 212 PRO CB . 30276 1 1025 . 2 2 18 18 PRO CG C 13 28.323 0.3 . 1 . . . . B 212 PRO CG . 30276 1 1026 . 2 2 18 18 PRO CD C 13 50.970 0.3 . 1 . . . . B 212 PRO CD . 30276 1 1027 . 2 2 19 19 GLU H H 1 8.900 0.03 . 1 . . . . B 213 GLU H . 30276 1 1028 . 2 2 19 19 GLU HA H 1 3.682 0.03 . 1 . . . . B 213 GLU HA . 30276 1 1029 . 2 2 19 19 GLU HB2 H 1 1.950 0.03 . 2 . . . . B 213 GLU HB2 . 30276 1 1030 . 2 2 19 19 GLU HB3 H 1 1.796 0.03 . 2 . . . . B 213 GLU HB3 . 30276 1 1031 . 2 2 19 19 GLU HG2 H 1 2.210 0.03 . 2 . . . . B 213 GLU HG2 . 30276 1 1032 . 2 2 19 19 GLU HG3 H 1 2.100 0.03 . 2 . . . . B 213 GLU HG3 . 30276 1 1033 . 2 2 19 19 GLU CA C 13 59.916 0.3 . 1 . . . . B 213 GLU CA . 30276 1 1034 . 2 2 19 19 GLU CB C 13 29.460 0.3 . 1 . . . . B 213 GLU CB . 30276 1 1035 . 2 2 19 19 GLU CG C 13 35.788 0.3 . 1 . . . . B 213 GLU CG . 30276 1 1036 . 2 2 19 19 GLU N N 15 126.229 0.3 . 1 . . . . B 213 GLU N . 30276 1 1037 . 2 2 20 20 SER H H 1 8.284 0.03 . 1 . . . . B 214 SER H . 30276 1 1038 . 2 2 20 20 SER HA H 1 4.144 0.03 . 1 . . . . B 214 SER HA . 30276 1 1039 . 2 2 20 20 SER HB2 H 1 3.861 0.03 . 2 . . . . B 214 SER HB2 . 30276 1 1040 . 2 2 20 20 SER HB3 H 1 3.939 0.03 . 2 . . . . B 214 SER HB3 . 30276 1 1041 . 2 2 20 20 SER CA C 13 60.189 0.3 . 1 . . . . B 214 SER CA . 30276 1 1042 . 2 2 20 20 SER CB C 13 62.759 0.3 . 1 . . . . B 214 SER CB . 30276 1 1043 . 2 2 20 20 SER N N 15 112.189 0.3 . 1 . . . . B 214 SER N . 30276 1 1044 . 2 2 21 21 HIS H H 1 8.022 0.03 . 1 . . . . B 215 HIS H . 30276 1 1045 . 2 2 21 21 HIS HA H 1 4.958 0.03 . 1 . . . . B 215 HIS HA . 30276 1 1046 . 2 2 21 21 HIS HB2 H 1 2.923 0.03 . 2 . . . . B 215 HIS HB2 . 30276 1 1047 . 2 2 21 21 HIS HB3 H 1 3.366 0.03 . 2 . . . . B 215 HIS HB3 . 30276 1 1048 . 2 2 21 21 HIS HD2 H 1 6.883 0.03 . 1 . . . . B 215 HIS HD2 . 30276 1 1049 . 2 2 21 21 HIS CA C 13 55.120 0.3 . 1 . . . . B 215 HIS CA . 30276 1 1050 . 2 2 21 21 HIS CB C 13 32.110 0.3 . 1 . . . . B 215 HIS CB . 30276 1 1051 . 2 2 21 21 HIS N N 15 119.565 0.3 . 1 . . . . B 215 HIS N . 30276 1 1052 . 2 2 22 22 ILE H H 1 7.534 0.03 . 1 . . . . B 216 ILE H . 30276 1 1053 . 2 2 22 22 ILE HA H 1 4.087 0.03 . 1 . . . . B 216 ILE HA . 30276 1 1054 . 2 2 22 22 ILE HB H 1 1.713 0.03 . 1 . . . . B 216 ILE HB . 30276 1 1055 . 2 2 22 22 ILE HG12 H 1 1.395 0.03 . 2 . . . . B 216 ILE HG12 . 30276 1 1056 . 2 2 22 22 ILE HG13 H 1 1.259 0.03 . 2 . . . . B 216 ILE HG13 . 30276 1 1057 . 2 2 22 22 ILE HG21 H 1 1.070 0.03 . 1 . . . . B 216 ILE HG21 . 30276 1 1058 . 2 2 22 22 ILE HG22 H 1 1.070 0.03 . 1 . . . . B 216 ILE HG22 . 30276 1 1059 . 2 2 22 22 ILE HG23 H 1 1.070 0.03 . 1 . . . . B 216 ILE HG23 . 30276 1 1060 . 2 2 22 22 ILE HD11 H 1 0.855 0.03 . 1 . . . . B 216 ILE HD11 . 30276 1 1061 . 2 2 22 22 ILE HD12 H 1 0.855 0.03 . 1 . . . . B 216 ILE HD12 . 30276 1 1062 . 2 2 22 22 ILE HD13 H 1 0.855 0.03 . 1 . . . . B 216 ILE HD13 . 30276 1 1063 . 2 2 22 22 ILE CA C 13 62.282 0.3 . 1 . . . . B 216 ILE CA . 30276 1 1064 . 2 2 22 22 ILE CB C 13 38.143 0.3 . 1 . . . . B 216 ILE CB . 30276 1 1065 . 2 2 22 22 ILE CG1 C 13 29.650 0.3 . 1 . . . . B 216 ILE CG1 . 30276 1 1066 . 2 2 22 22 ILE CG2 C 13 19.160 0.3 . 1 . . . . B 216 ILE CG2 . 30276 1 1067 . 2 2 22 22 ILE CD1 C 13 13.680 0.3 . 1 . . . . B 216 ILE CD1 . 30276 1 1068 . 2 2 22 22 ILE N N 15 119.881 0.3 . 1 . . . . B 216 ILE N . 30276 1 1069 . 2 2 23 23 ASN H H 1 8.428 0.03 . 1 . . . . B 217 ASN H . 30276 1 1070 . 2 2 23 23 ASN HA H 1 4.211 0.03 . 1 . . . . B 217 ASN HA . 30276 1 1071 . 2 2 23 23 ASN HB2 H 1 2.712 0.03 . 2 . . . . B 217 ASN HB2 . 30276 1 1072 . 2 2 23 23 ASN HB3 H 1 2.465 0.03 . 2 . . . . B 217 ASN HB3 . 30276 1 1073 . 2 2 23 23 ASN CA C 13 58.796 0.3 . 1 . . . . B 217 ASN CA . 30276 1 1074 . 2 2 23 23 ASN CB C 13 38.744 0.3 . 1 . . . . B 217 ASN CB . 30276 1 1075 . 2 2 23 23 ASN N N 15 121.798 0.3 . 1 . . . . B 217 ASN N . 30276 1 1076 . 2 2 24 24 LYS H H 1 7.995 0.03 . 1 . . . . B 218 LYS H . 30276 1 1077 . 2 2 24 24 LYS HA H 1 4.058 0.03 . 1 . . . . B 218 LYS HA . 30276 1 1078 . 2 2 24 24 LYS HB2 H 1 1.723 0.03 . 2 . . . . B 218 LYS HB2 . 30276 1 1079 . 2 2 24 24 LYS HB3 H 1 1.723 0.03 . 2 . . . . B 218 LYS HB3 . 30276 1 1080 . 2 2 24 24 LYS HG2 H 1 1.413 0.03 . 2 . . . . B 218 LYS HG2 . 30276 1 1081 . 2 2 24 24 LYS HG3 H 1 1.413 0.03 . 2 . . . . B 218 LYS HG3 . 30276 1 1082 . 2 2 24 24 LYS HD2 H 1 1.629 0.03 . 2 . . . . B 218 LYS HD2 . 30276 1 1083 . 2 2 24 24 LYS HD3 H 1 1.629 0.03 . 2 . . . . B 218 LYS HD3 . 30276 1 1084 . 2 2 24 24 LYS HE2 H 1 2.896 0.03 . 2 . . . . B 218 LYS HE2 . 30276 1 1085 . 2 2 24 24 LYS HE3 H 1 2.896 0.03 . 2 . . . . B 218 LYS HE3 . 30276 1 1086 . 2 2 24 24 LYS CA C 13 58.584 0.3 . 1 . . . . B 218 LYS CA . 30276 1 1087 . 2 2 24 24 LYS CB C 13 31.851 0.3 . 1 . . . . B 218 LYS CB . 30276 1 1088 . 2 2 24 24 LYS CG C 13 24.823 0.3 . 1 . . . . B 218 LYS CG . 30276 1 1089 . 2 2 24 24 LYS CD C 13 28.891 0.3 . 1 . . . . B 218 LYS CD . 30276 1 1090 . 2 2 24 24 LYS CE C 13 42.034 0.3 . 1 . . . . B 218 LYS CE . 30276 1 1091 . 2 2 24 24 LYS N N 15 120.520 0.3 . 1 . . . . B 218 LYS N . 30276 1 1092 . 2 2 25 25 HIS H H 1 8.345 0.03 . 1 . . . . B 219 HIS H . 30276 1 1093 . 2 2 25 25 HIS HA H 1 4.123 0.03 . 1 . . . . B 219 HIS HA . 30276 1 1094 . 2 2 25 25 HIS HB2 H 1 3.087 0.03 . 2 . . . . B 219 HIS HB2 . 30276 1 1095 . 2 2 25 25 HIS HB3 H 1 3.166 0.03 . 2 . . . . B 219 HIS HB3 . 30276 1 1096 . 2 2 25 25 HIS HD2 H 1 6.966 0.03 . 1 . . . . B 219 HIS HD2 . 30276 1 1097 . 2 2 25 25 HIS CA C 13 60.124 0.3 . 1 . . . . B 219 HIS CA . 30276 1 1098 . 2 2 25 25 HIS CB C 13 28.384 0.3 . 1 . . . . B 219 HIS CB . 30276 1 1099 . 2 2 25 25 HIS N N 15 117.993 0.3 . 1 . . . . B 219 HIS N . 30276 1 1100 . 2 2 26 26 LEU H H 1 8.827 0.03 . 1 . . . . B 220 LEU H . 30276 1 1101 . 2 2 26 26 LEU HA H 1 3.722 0.03 . 1 . . . . B 220 LEU HA . 30276 1 1102 . 2 2 26 26 LEU HB2 H 1 1.955 0.03 . 2 . . . . B 220 LEU HB2 . 30276 1 1103 . 2 2 26 26 LEU HB3 H 1 1.339 0.03 . 2 . . . . B 220 LEU HB3 . 30276 1 1104 . 2 2 26 26 LEU HG H 1 1.952 0.03 . 1 . . . . B 220 LEU HG . 30276 1 1105 . 2 2 26 26 LEU HD11 H 1 0.847 0.03 . 2 . . . . B 220 LEU HD11 . 30276 1 1106 . 2 2 26 26 LEU HD12 H 1 0.847 0.03 . 2 . . . . B 220 LEU HD12 . 30276 1 1107 . 2 2 26 26 LEU HD13 H 1 0.847 0.03 . 2 . . . . B 220 LEU HD13 . 30276 1 1108 . 2 2 26 26 LEU HD21 H 1 0.760 0.03 . 2 . . . . B 220 LEU HD21 . 30276 1 1109 . 2 2 26 26 LEU HD22 H 1 0.760 0.03 . 2 . . . . B 220 LEU HD22 . 30276 1 1110 . 2 2 26 26 LEU HD23 H 1 0.760 0.03 . 2 . . . . B 220 LEU HD23 . 30276 1 1111 . 2 2 26 26 LEU CA C 13 58.034 0.3 . 1 . . . . B 220 LEU CA . 30276 1 1112 . 2 2 26 26 LEU CB C 13 41.610 0.3 . 1 . . . . B 220 LEU CB . 30276 1 1113 . 2 2 26 26 LEU CG C 13 27.046 0.3 . 1 . . . . B 220 LEU CG . 30276 1 1114 . 2 2 26 26 LEU CD1 C 13 25.053 0.3 . 2 . . . . B 220 LEU CD1 . 30276 1 1115 . 2 2 26 26 LEU CD2 C 13 27.128 0.3 . 2 . . . . B 220 LEU CD2 . 30276 1 1116 . 2 2 26 26 LEU N N 15 120.157 0.3 . 1 . . . . B 220 LEU N . 30276 1 1117 . 2 2 27 27 ASP H H 1 7.679 0.03 . 1 . . . . B 221 ASP H . 30276 1 1118 . 2 2 27 27 ASP HA H 1 4.160 0.03 . 1 . . . . B 221 ASP HA . 30276 1 1119 . 2 2 27 27 ASP HB2 H 1 2.798 0.03 . 2 . . . . B 221 ASP HB2 . 30276 1 1120 . 2 2 27 27 ASP HB3 H 1 2.589 0.03 . 2 . . . . B 221 ASP HB3 . 30276 1 1121 . 2 2 27 27 ASP CA C 13 57.655 0.3 . 1 . . . . B 221 ASP CA . 30276 1 1122 . 2 2 27 27 ASP CB C 13 39.686 0.3 . 1 . . . . B 221 ASP CB . 30276 1 1123 . 2 2 27 27 ASP N N 15 117.325 0.3 . 1 . . . . B 221 ASP N . 30276 1 1124 . 2 2 28 28 SER H H 1 6.969 0.03 . 1 . . . . B 222 SER H . 30276 1 1125 . 2 2 28 28 SER HA H 1 4.348 0.03 . 1 . . . . B 222 SER HA . 30276 1 1126 . 2 2 28 28 SER HB2 H 1 3.771 0.03 . 2 . . . . B 222 SER HB2 . 30276 1 1127 . 2 2 28 28 SER HB3 H 1 3.771 0.03 . 2 . . . . B 222 SER HB3 . 30276 1 1128 . 2 2 28 28 SER CA C 13 60.210 0.3 . 1 . . . . B 222 SER CA . 30276 1 1129 . 2 2 28 28 SER CB C 13 63.447 0.3 . 1 . . . . B 222 SER CB . 30276 1 1130 . 2 2 28 28 SER N N 15 112.420 0.3 . 1 . . . . B 222 SER N . 30276 1 1131 . 2 2 29 29 CYS H H 1 8.627 0.03 . 1 . . . . B 223 CYS H . 30276 1 1132 . 2 2 29 29 CYS HA H 1 3.693 0.03 . 1 . . . . B 223 CYS HA . 30276 1 1133 . 2 2 29 29 CYS HB2 H 1 1.966 0.03 . 2 . . . . B 223 CYS HB2 . 30276 1 1134 . 2 2 29 29 CYS HB3 H 1 2.476 0.03 . 2 . . . . B 223 CYS HB3 . 30276 1 1135 . 2 2 29 29 CYS CA C 13 63.731 0.3 . 1 . . . . B 223 CYS CA . 30276 1 1136 . 2 2 29 29 CYS CB C 13 30.385 0.3 . 1 . . . . B 223 CYS CB . 30276 1 1137 . 2 2 29 29 CYS N N 15 128.076 0.3 . 1 . . . . B 223 CYS N . 30276 1 1138 . 2 2 30 30 LEU H H 1 8.457 0.03 . 1 . . . . B 224 LEU H . 30276 1 1139 . 2 2 30 30 LEU HA H 1 3.994 0.03 . 1 . . . . B 224 LEU HA . 30276 1 1140 . 2 2 30 30 LEU HB2 H 1 1.748 0.03 . 2 . . . . B 224 LEU HB2 . 30276 1 1141 . 2 2 30 30 LEU HB3 H 1 1.433 0.03 . 2 . . . . B 224 LEU HB3 . 30276 1 1142 . 2 2 30 30 LEU HG H 1 1.601 0.03 . 1 . . . . B 224 LEU HG . 30276 1 1143 . 2 2 30 30 LEU HD11 H 1 0.722 0.03 . 2 . . . . B 224 LEU HD11 . 30276 1 1144 . 2 2 30 30 LEU HD12 H 1 0.722 0.03 . 2 . . . . B 224 LEU HD12 . 30276 1 1145 . 2 2 30 30 LEU HD13 H 1 0.722 0.03 . 2 . . . . B 224 LEU HD13 . 30276 1 1146 . 2 2 30 30 LEU HD21 H 1 0.697 0.03 . 2 . . . . B 224 LEU HD21 . 30276 1 1147 . 2 2 30 30 LEU HD22 H 1 0.697 0.03 . 2 . . . . B 224 LEU HD22 . 30276 1 1148 . 2 2 30 30 LEU HD23 H 1 0.697 0.03 . 2 . . . . B 224 LEU HD23 . 30276 1 1149 . 2 2 30 30 LEU CA C 13 56.649 0.3 . 1 . . . . B 224 LEU CA . 30276 1 1150 . 2 2 30 30 LEU CB C 13 42.187 0.3 . 1 . . . . B 224 LEU CB . 30276 1 1151 . 2 2 30 30 LEU CG C 13 27.103 0.3 . 1 . . . . B 224 LEU CG . 30276 1 1152 . 2 2 30 30 LEU CD1 C 13 26.922 0.3 . 2 . . . . B 224 LEU CD1 . 30276 1 1153 . 2 2 30 30 LEU CD2 C 13 23.954 0.3 . 2 . . . . B 224 LEU CD2 . 30276 1 1154 . 2 2 30 30 LEU N N 15 114.859 0.3 . 1 . . . . B 224 LEU N . 30276 1 1155 . 2 2 31 31 SER H H 1 7.358 0.03 . 1 . . . . B 225 SER H . 30276 1 1156 . 2 2 31 31 SER HA H 1 4.400 0.03 . 1 . . . . B 225 SER HA . 30276 1 1157 . 2 2 31 31 SER HB2 H 1 3.888 0.03 . 2 . . . . B 225 SER HB2 . 30276 1 1158 . 2 2 31 31 SER HB3 H 1 3.888 0.03 . 2 . . . . B 225 SER HB3 . 30276 1 1159 . 2 2 31 31 SER CA C 13 58.970 0.3 . 1 . . . . B 225 SER CA . 30276 1 1160 . 2 2 31 31 SER CB C 13 63.531 0.3 . 1 . . . . B 225 SER CB . 30276 1 1161 . 2 2 31 31 SER N N 15 113.571 0.3 . 1 . . . . B 225 SER N . 30276 1 1162 . 2 2 32 32 ARG H H 1 7.813 0.03 . 1 . . . . B 226 ARG H . 30276 1 1163 . 2 2 32 32 ARG HA H 1 4.169 0.03 . 1 . . . . B 226 ARG HA . 30276 1 1164 . 2 2 32 32 ARG HB2 H 1 1.870 0.03 . 2 . . . . B 226 ARG HB2 . 30276 1 1165 . 2 2 32 32 ARG HB3 H 1 1.799 0.03 . 2 . . . . B 226 ARG HB3 . 30276 1 1166 . 2 2 32 32 ARG HG2 H 1 1.597 0.03 . 2 . . . . B 226 ARG HG2 . 30276 1 1167 . 2 2 32 32 ARG HG3 H 1 1.635 0.03 . 2 . . . . B 226 ARG HG3 . 30276 1 1168 . 2 2 32 32 ARG HD2 H 1 3.177 0.03 . 2 . . . . B 226 ARG HD2 . 30276 1 1169 . 2 2 32 32 ARG HD3 H 1 3.177 0.03 . 2 . . . . B 226 ARG HD3 . 30276 1 1170 . 2 2 32 32 ARG CA C 13 57.416 0.3 . 1 . . . . B 226 ARG CA . 30276 1 1171 . 2 2 32 32 ARG CB C 13 30.444 0.3 . 1 . . . . B 226 ARG CB . 30276 1 1172 . 2 2 32 32 ARG CG C 13 26.890 0.3 . 1 . . . . B 226 ARG CG . 30276 1 1173 . 2 2 32 32 ARG CD C 13 43.422 0.3 . 1 . . . . B 226 ARG CD . 30276 1 1174 . 2 2 32 32 ARG N N 15 122.490 0.3 . 1 . . . . B 226 ARG N . 30276 1 1175 . 2 2 33 33 GLU H H 1 8.303 0.03 . 1 . . . . B 227 GLU H . 30276 1 1176 . 2 2 33 33 GLU HA H 1 4.155 0.03 . 1 . . . . B 227 GLU HA . 30276 1 1177 . 2 2 33 33 GLU HB2 H 1 1.912 0.03 . 2 . . . . B 227 GLU HB2 . 30276 1 1178 . 2 2 33 33 GLU HB3 H 1 1.974 0.03 . 2 . . . . B 227 GLU HB3 . 30276 1 1179 . 2 2 33 33 GLU HG2 H 1 2.235 0.03 . 2 . . . . B 227 GLU HG2 . 30276 1 1180 . 2 2 33 33 GLU HG3 H 1 2.235 0.03 . 2 . . . . B 227 GLU HG3 . 30276 1 1181 . 2 2 33 33 GLU CA C 13 57.178 0.3 . 1 . . . . B 227 GLU CA . 30276 1 1182 . 2 2 33 33 GLU CB C 13 29.892 0.3 . 1 . . . . B 227 GLU CB . 30276 1 1183 . 2 2 33 33 GLU CG C 13 36.189 0.3 . 1 . . . . B 227 GLU CG . 30276 1 1184 . 2 2 33 33 GLU N N 15 121.006 0.3 . 1 . . . . B 227 GLU N . 30276 1 1185 . 2 2 34 34 GLU H H 1 8.282 0.03 . 1 . . . . B 228 GLU H . 30276 1 1186 . 2 2 34 34 GLU HA H 1 4.140 0.03 . 1 . . . . B 228 GLU HA . 30276 1 1187 . 2 2 34 34 GLU HB2 H 1 1.910 0.03 . 2 . . . . B 228 GLU HB2 . 30276 1 1188 . 2 2 34 34 GLU HB3 H 1 1.985 0.03 . 2 . . . . B 228 GLU HB3 . 30276 1 1189 . 2 2 34 34 GLU HG2 H 1 2.210 0.03 . 2 . . . . B 228 GLU HG2 . 30276 1 1190 . 2 2 34 34 GLU HG3 H 1 2.210 0.03 . 2 . . . . B 228 GLU HG3 . 30276 1 1191 . 2 2 34 34 GLU CA C 13 57.314 0.3 . 1 . . . . B 228 GLU CA . 30276 1 1192 . 2 2 34 34 GLU CB C 13 29.917 0.3 . 1 . . . . B 228 GLU CB . 30276 1 1193 . 2 2 34 34 GLU CG C 13 36.147 0.3 . 1 . . . . B 228 GLU CG . 30276 1 1194 . 2 2 34 34 GLU N N 15 121.540 0.3 . 1 . . . . B 228 GLU N . 30276 1 1195 . 2 2 35 35 LYS H H 1 8.151 0.03 . 1 . . . . B 229 LYS H . 30276 1 1196 . 2 2 35 35 LYS HA H 1 4.208 0.03 . 1 . . . . B 229 LYS HA . 30276 1 1197 . 2 2 35 35 LYS HB2 H 1 1.733 0.03 . 2 . . . . B 229 LYS HB2 . 30276 1 1198 . 2 2 35 35 LYS HB3 H 1 1.790 0.03 . 2 . . . . B 229 LYS HB3 . 30276 1 1199 . 2 2 35 35 LYS HG2 H 1 1.386 0.03 . 2 . . . . B 229 LYS HG2 . 30276 1 1200 . 2 2 35 35 LYS HG3 H 1 1.386 0.03 . 2 . . . . B 229 LYS HG3 . 30276 1 1201 . 2 2 35 35 LYS HD2 H 1 1.957 0.03 . 2 . . . . B 229 LYS HD2 . 30276 1 1202 . 2 2 35 35 LYS HD3 H 1 1.957 0.03 . 2 . . . . B 229 LYS HD3 . 30276 1 1203 . 2 2 35 35 LYS HE2 H 1 2.891 0.03 . 2 . . . . B 229 LYS HE2 . 30276 1 1204 . 2 2 35 35 LYS HE3 H 1 2.891 0.03 . 2 . . . . B 229 LYS HE3 . 30276 1 1205 . 2 2 35 35 LYS CA C 13 56.780 0.3 . 1 . . . . B 229 LYS CA . 30276 1 1206 . 2 2 35 35 LYS CB C 13 32.598 0.3 . 1 . . . . B 229 LYS CB . 30276 1 1207 . 2 2 35 35 LYS CG C 13 24.913 0.3 . 1 . . . . B 229 LYS CG . 30276 1 1208 . 2 2 35 35 LYS CD C 13 30.130 0.3 . 1 . . . . B 229 LYS CD . 30276 1 1209 . 2 2 35 35 LYS CE C 13 42.081 0.3 . 1 . . . . B 229 LYS CE . 30276 1 1210 . 2 2 35 35 LYS N N 15 121.523 0.3 . 1 . . . . B 229 LYS N . 30276 1 1211 . 2 2 36 36 LYS H H 1 8.101 0.03 . 1 . . . . B 230 LYS H . 30276 1 1212 . 2 2 36 36 LYS HA H 1 4.152 0.03 . 1 . . . . B 230 LYS HA . 30276 1 1213 . 2 2 36 36 LYS HB2 H 1 1.779 0.03 . 2 . . . . B 230 LYS HB2 . 30276 1 1214 . 2 2 36 36 LYS HB3 H 1 1.743 0.03 . 2 . . . . B 230 LYS HB3 . 30276 1 1215 . 2 2 36 36 LYS HG2 H 1 1.389 0.03 . 2 . . . . B 230 LYS HG2 . 30276 1 1216 . 2 2 36 36 LYS HG3 H 1 1.389 0.03 . 2 . . . . B 230 LYS HG3 . 30276 1 1217 . 2 2 36 36 LYS HD2 H 1 1.985 0.03 . 2 . . . . B 230 LYS HD2 . 30276 1 1218 . 2 2 36 36 LYS HD3 H 1 1.985 0.03 . 2 . . . . B 230 LYS HD3 . 30276 1 1219 . 2 2 36 36 LYS HE2 H 1 2.891 0.03 . 2 . . . . B 230 LYS HE2 . 30276 1 1220 . 2 2 36 36 LYS HE3 H 1 2.891 0.03 . 2 . . . . B 230 LYS HE3 . 30276 1 1221 . 2 2 36 36 LYS CA C 13 57.246 0.3 . 1 . . . . B 230 LYS CA . 30276 1 1222 . 2 2 36 36 LYS CB C 13 32.787 0.3 . 1 . . . . B 230 LYS CB . 30276 1 1223 . 2 2 36 36 LYS CG C 13 24.835 0.3 . 1 . . . . B 230 LYS CG . 30276 1 1224 . 2 2 36 36 LYS CD C 13 30.130 0.3 . 1 . . . . B 230 LYS CD . 30276 1 1225 . 2 2 36 36 LYS CE C 13 42.051 0.3 . 1 . . . . B 230 LYS CE . 30276 1 1226 . 2 2 36 36 LYS N N 15 121.763 0.3 . 1 . . . . B 230 LYS N . 30276 1 1227 . 2 2 37 37 GLU H H 1 8.369 0.03 . 1 . . . . B 231 GLU H . 30276 1 1228 . 2 2 37 37 GLU HA H 1 4.175 0.03 . 1 . . . . B 231 GLU HA . 30276 1 1229 . 2 2 37 37 GLU HB2 H 1 1.949 0.03 . 2 . . . . B 231 GLU HB2 . 30276 1 1230 . 2 2 37 37 GLU HB3 H 1 1.949 0.03 . 2 . . . . B 231 GLU HB3 . 30276 1 1231 . 2 2 37 37 GLU HG2 H 1 2.220 0.03 . 2 . . . . B 231 GLU HG2 . 30276 1 1232 . 2 2 37 37 GLU HG3 H 1 2.220 0.03 . 2 . . . . B 231 GLU HG3 . 30276 1 1233 . 2 2 37 37 GLU CA C 13 57.272 0.3 . 1 . . . . B 231 GLU CA . 30276 1 1234 . 2 2 37 37 GLU CB C 13 29.980 0.3 . 1 . . . . B 231 GLU CB . 30276 1 1235 . 2 2 37 37 GLU CG C 13 36.116 0.3 . 1 . . . . B 231 GLU CG . 30276 1 1236 . 2 2 37 37 GLU N N 15 121.006 0.3 . 1 . . . . B 231 GLU N . 30276 1 1237 . 2 2 38 38 SER H H 1 8.168 0.03 . 1 . . . . B 232 SER H . 30276 1 1238 . 2 2 38 38 SER HA H 1 4.354 0.03 . 1 . . . . B 232 SER HA . 30276 1 1239 . 2 2 38 38 SER HB2 H 1 3.794 0.03 . 2 . . . . B 232 SER HB2 . 30276 1 1240 . 2 2 38 38 SER HB3 H 1 3.794 0.03 . 2 . . . . B 232 SER HB3 . 30276 1 1241 . 2 2 38 38 SER CA C 13 58.584 0.3 . 1 . . . . B 232 SER CA . 30276 1 1242 . 2 2 38 38 SER CB C 13 63.709 0.3 . 1 . . . . B 232 SER CB . 30276 1 1243 . 2 2 39 39 LEU H H 1 8.141 0.03 . 1 . . . . B 233 LEU H . 30276 1 1244 . 2 2 39 39 LEU HA H 1 4.284 0.03 . 1 . . . . B 233 LEU HA . 30276 1 1245 . 2 2 39 39 LEU HB2 H 1 1.553 0.03 . 2 . . . . B 233 LEU HB2 . 30276 1 1246 . 2 2 39 39 LEU HB3 H 1 1.553 0.03 . 2 . . . . B 233 LEU HB3 . 30276 1 1247 . 2 2 39 39 LEU HG H 1 1.558 0.03 . 1 . . . . B 233 LEU HG . 30276 1 1248 . 2 2 39 39 LEU HD11 H 1 0.832 0.03 . 2 . . . . B 233 LEU HD11 . 30276 1 1249 . 2 2 39 39 LEU HD12 H 1 0.832 0.03 . 2 . . . . B 233 LEU HD12 . 30276 1 1250 . 2 2 39 39 LEU HD13 H 1 0.832 0.03 . 2 . . . . B 233 LEU HD13 . 30276 1 1251 . 2 2 39 39 LEU HD21 H 1 0.776 0.03 . 2 . . . . B 233 LEU HD21 . 30276 1 1252 . 2 2 39 39 LEU HD22 H 1 0.776 0.03 . 2 . . . . B 233 LEU HD22 . 30276 1 1253 . 2 2 39 39 LEU HD23 H 1 0.776 0.03 . 2 . . . . B 233 LEU HD23 . 30276 1 1254 . 2 2 39 39 LEU CA C 13 55.361 0.3 . 1 . . . . B 233 LEU CA . 30276 1 1255 . 2 2 39 39 LEU CB C 13 42.255 0.3 . 1 . . . . B 233 LEU CB . 30276 1 1256 . 2 2 39 39 LEU CG C 13 26.875 0.3 . 1 . . . . B 233 LEU CG . 30276 1 1257 . 2 2 39 39 LEU CD1 C 13 24.946 0.3 . 2 . . . . B 233 LEU CD1 . 30276 1 1258 . 2 2 39 39 LEU CD2 C 13 23.337 0.3 . 2 . . . . B 233 LEU CD2 . 30276 1 1259 . 2 2 39 39 LEU N N 15 124.235 0.3 . 1 . . . . B 233 LEU N . 30276 1 1260 . 2 2 40 40 ARG H H 1 8.107 0.03 . 1 . . . . B 234 ARG H . 30276 1 1261 . 2 2 40 40 ARG HA H 1 4.241 0.03 . 1 . . . . B 234 ARG HA . 30276 1 1262 . 2 2 40 40 ARG HB2 H 1 1.733 0.03 . 2 . . . . B 234 ARG HB2 . 30276 1 1263 . 2 2 40 40 ARG HB3 H 1 1.812 0.03 . 2 . . . . B 234 ARG HB3 . 30276 1 1264 . 2 2 40 40 ARG HG2 H 1 1.602 0.03 . 2 . . . . B 234 ARG HG2 . 30276 1 1265 . 2 2 40 40 ARG HG3 H 1 1.602 0.03 . 2 . . . . B 234 ARG HG3 . 30276 1 1266 . 2 2 40 40 ARG HD2 H 1 3.138 0.03 . 2 . . . . B 234 ARG HD2 . 30276 1 1267 . 2 2 40 40 ARG HD3 H 1 3.138 0.03 . 2 . . . . B 234 ARG HD3 . 30276 1 1268 . 2 2 40 40 ARG CA C 13 56.668 0.3 . 1 . . . . B 234 ARG CA . 30276 1 1269 . 2 2 40 40 ARG CB C 13 30.574 0.3 . 1 . . . . B 234 ARG CB . 30276 1 1270 . 2 2 40 40 ARG CG C 13 27.188 0.3 . 1 . . . . B 234 ARG CG . 30276 1 1271 . 2 2 40 40 ARG CD C 13 43.392 0.3 . 1 . . . . B 234 ARG CD . 30276 1 1272 . 2 2 40 40 ARG N N 15 120.756 0.3 . 1 . . . . B 234 ARG N . 30276 1 1273 . 2 2 41 41 SER H H 1 8.129 0.03 . 1 . . . . B 235 SER H . 30276 1 1274 . 2 2 41 41 SER HA H 1 4.393 0.03 . 1 . . . . B 235 SER HA . 30276 1 1275 . 2 2 41 41 SER HB2 H 1 3.834 0.03 . 2 . . . . B 235 SER HB2 . 30276 1 1276 . 2 2 41 41 SER HB3 H 1 3.834 0.03 . 2 . . . . B 235 SER HB3 . 30276 1 1277 . 2 2 41 41 SER CA C 13 58.592 0.3 . 1 . . . . B 235 SER CA . 30276 1 1278 . 2 2 41 41 SER CB C 13 63.837 0.3 . 1 . . . . B 235 SER CB . 30276 1 1279 . 2 2 41 41 SER N N 15 115.811 0.3 . 1 . . . . B 235 SER N . 30276 1 1280 . 2 2 42 42 SER H H 1 8.210 0.03 . 1 . . . . B 236 SER H . 30276 1 1281 . 2 2 42 42 SER HA H 1 4.406 0.03 . 1 . . . . B 236 SER HA . 30276 1 1282 . 2 2 42 42 SER HB2 H 1 3.814 0.03 . 2 . . . . B 236 SER HB2 . 30276 1 1283 . 2 2 42 42 SER HB3 H 1 3.814 0.03 . 2 . . . . B 236 SER HB3 . 30276 1 1284 . 2 2 42 42 SER CA C 13 58.558 0.3 . 1 . . . . B 236 SER CA . 30276 1 1285 . 2 2 42 42 SER CB C 13 63.800 0.3 . 1 . . . . B 236 SER CB . 30276 1 1286 . 2 2 42 42 SER N N 15 117.662 0.3 . 1 . . . . B 236 SER N . 30276 1 1287 . 2 2 43 43 VAL H H 1 7.854 0.03 . 1 . . . . B 237 VAL H . 30276 1 1288 . 2 2 43 43 VAL HA H 1 4.054 0.03 . 1 . . . . B 237 VAL HA . 30276 1 1289 . 2 2 43 43 VAL HB H 1 1.978 0.03 . 1 . . . . B 237 VAL HB . 30276 1 1290 . 2 2 43 43 VAL HG11 H 1 0.827 0.03 . 2 . . . . B 237 VAL HG11 . 30276 1 1291 . 2 2 43 43 VAL HG12 H 1 0.827 0.03 . 2 . . . . B 237 VAL HG12 . 30276 1 1292 . 2 2 43 43 VAL HG13 H 1 0.827 0.03 . 2 . . . . B 237 VAL HG13 . 30276 1 1293 . 2 2 43 43 VAL HG21 H 1 0.811 0.03 . 2 . . . . B 237 VAL HG21 . 30276 1 1294 . 2 2 43 43 VAL HG22 H 1 0.811 0.03 . 2 . . . . B 237 VAL HG22 . 30276 1 1295 . 2 2 43 43 VAL HG23 H 1 0.811 0.03 . 2 . . . . B 237 VAL HG23 . 30276 1 1296 . 2 2 43 43 VAL CA C 13 63.063 0.3 . 1 . . . . B 237 VAL CA . 30276 1 1297 . 2 2 43 43 VAL CB C 13 32.893 0.3 . 1 . . . . B 237 VAL CB . 30276 1 1298 . 2 2 43 43 VAL CG1 C 13 21.113 0.3 . 2 . . . . B 237 VAL CG1 . 30276 1 1299 . 2 2 43 43 VAL CG2 C 13 20.303 0.3 . 2 . . . . B 237 VAL CG2 . 30276 1 1300 . 2 2 44 44 HIS H H 1 8.138 0.03 . 1 . . . . B 238 HIS H . 30276 1 1301 . 2 2 44 44 HIS HA H 1 4.552 0.03 . 1 . . . . B 238 HIS HA . 30276 1 1302 . 2 2 44 44 HIS HB2 H 1 3.143 0.03 . 2 . . . . B 238 HIS HB2 . 30276 1 1303 . 2 2 44 44 HIS HB3 H 1 3.052 0.03 . 2 . . . . B 238 HIS HB3 . 30276 1 1304 . 2 2 44 44 HIS HD2 H 1 7.089 0.03 . 1 . . . . B 238 HIS HD2 . 30276 1 1305 . 2 2 44 44 HIS CA C 13 55.816 0.3 . 1 . . . . B 238 HIS CA . 30276 1 1306 . 2 2 44 44 HIS CB C 13 29.349 0.3 . 1 . . . . B 238 HIS CB . 30276 1 1307 . 2 2 45 45 LYS H H 1 8.233 0.03 . 1 . . . . B 239 LYS H . 30276 1 1308 . 2 2 45 45 LYS HA H 1 4.243 0.03 . 1 . . . . B 239 LYS HA . 30276 1 1309 . 2 2 45 45 LYS HB2 H 1 1.669 0.03 . 2 . . . . B 239 LYS HB2 . 30276 1 1310 . 2 2 45 45 LYS HB3 H 1 1.759 0.03 . 2 . . . . B 239 LYS HB3 . 30276 1 1311 . 2 2 45 45 LYS HG2 H 1 1.345 0.03 . 2 . . . . B 239 LYS HG2 . 30276 1 1312 . 2 2 45 45 LYS HG3 H 1 1.345 0.03 . 2 . . . . B 239 LYS HG3 . 30276 1 1313 . 2 2 45 45 LYS HD2 H 1 1.601 0.03 . 2 . . . . B 239 LYS HD2 . 30276 1 1314 . 2 2 45 45 LYS HD3 H 1 1.601 0.03 . 2 . . . . B 239 LYS HD3 . 30276 1 1315 . 2 2 45 45 LYS HE2 H 1 2.912 0.03 . 2 . . . . B 239 LYS HE2 . 30276 1 1316 . 2 2 45 45 LYS HE3 H 1 2.912 0.03 . 2 . . . . B 239 LYS HE3 . 30276 1 1317 . 2 2 45 45 LYS CA C 13 56.499 0.3 . 1 . . . . B 239 LYS CA . 30276 1 1318 . 2 2 45 45 LYS CB C 13 33.067 0.3 . 1 . . . . B 239 LYS CB . 30276 1 1319 . 2 2 45 45 LYS CG C 13 24.693 0.3 . 1 . . . . B 239 LYS CG . 30276 1 1320 . 2 2 45 45 LYS CD C 13 29.051 0.3 . 1 . . . . B 239 LYS CD . 30276 1 1321 . 2 2 45 45 LYS CE C 13 42.100 0.3 . 1 . . . . B 239 LYS CE . 30276 1 1322 . 2 2 45 45 LYS N N 15 123.900 0.3 . 1 . . . . B 239 LYS N . 30276 1 1323 . 2 2 46 46 ARG H H 1 7.975 0.03 . 1 . . . . B 240 ARG H . 30276 1 1324 . 2 2 46 46 ARG HA H 1 4.083 0.03 . 1 . . . . B 240 ARG HA . 30276 1 1325 . 2 2 46 46 ARG HB2 H 1 1.641 0.03 . 2 . . . . B 240 ARG HB2 . 30276 1 1326 . 2 2 46 46 ARG HB3 H 1 1.760 0.03 . 2 . . . . B 240 ARG HB3 . 30276 1 1327 . 2 2 46 46 ARG HG2 H 1 1.530 0.03 . 2 . . . . B 240 ARG HG2 . 30276 1 1328 . 2 2 46 46 ARG HG3 H 1 1.530 0.03 . 2 . . . . B 240 ARG HG3 . 30276 1 1329 . 2 2 46 46 ARG HD2 H 1 3.121 0.03 . 2 . . . . B 240 ARG HD2 . 30276 1 1330 . 2 2 46 46 ARG HD3 H 1 3.121 0.03 . 2 . . . . B 240 ARG HD3 . 30276 1 1331 . 2 2 46 46 ARG CA C 13 57.549 0.3 . 1 . . . . B 240 ARG CA . 30276 1 1332 . 2 2 46 46 ARG CB C 13 31.442 0.3 . 1 . . . . B 240 ARG CB . 30276 1 1333 . 2 2 46 46 ARG CG C 13 27.237 0.3 . 1 . . . . B 240 ARG CG . 30276 1 1334 . 2 2 46 46 ARG CD C 13 43.464 0.3 . 1 . . . . B 240 ARG CD . 30276 1 1335 . 2 2 46 46 ARG N N 15 128.136 0.3 . 1 . . . . B 240 ARG N . 30276 1 stop_ save_