data_10027 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10027 _Entry.Title ; chemical shift assignment of DnaA domain I-II ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-10-05 _Entry.Accession_date 2006-10-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . 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.Entry_ID 1 Yoshito Abe . . . 10027 2 Noriko Watanabe . . . 10027 3 Yuichiro Yoshida . . . 10027 4 Tsutomu Katayama . . . 10027 5 Tadashi Ueda . . . 10027 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10027 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 519 10027 '15N chemical shifts' 126 10027 '1H chemical shifts' 830 10027 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 . . 2009-08-31 2006-10-05 update BMRB 'complete entry citation' 10027 1 . . 2007-06-26 2006-10-05 original author 'original release' 10027 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E0G 'BMRB Entry Tracking System' 10027 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 10027 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636826 _Citation.Full_citation . _Citation.Title 'Assignment of 1H, 13C and 15N resonances of N-terminal domain of DnaA protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 57 _Citation.Page_last 59 _Citation.Year 2007 _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.Entry_ID _Citation_author.Citation_ID 1 Abe Yoshito . . . 10027 1 2 Watanabe Noriko . . . 10027 1 3 Yoshida Yuichiro . . . 10027 1 4 Ebata Fumi . . . 10027 1 5 Katayama Tsutomu . . . 10027 1 6 Ueda Tadashi . . . 10027 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DnaA 10027 1 'replication initiation' 10027 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10027 _Assembly.ID 1 _Assembly.Name DnaA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 11000 _Assembly.Enzyme_commission_number . _Assembly.Details 'N-terminal domain of DnaA protein' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10027 1 stop_ 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 'N-terminal domain of DnaA' 1 $DnaA_N . . yes native no no 1 'replication initiation' . 10027 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2E0G . . . . . . 10027 1 yes Swiss-Prot P03004 . . . . . . 10027 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID DnaA 'CAS name' 10027 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'replication factor' 10027 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'N-terminal domain of DnaA' 10027 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DnaA_N _Entity.Sf_category entity _Entity.Sf_framecode DnaA_N _Entity.Entry_ID 10027 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal domain of DnaA' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SLSLWQQCLARLQDELPATE FSMWIRPLQAELSDNTLALY APNRFVLDWVRDKYLNNING LLTSFCGADAPQLRFEVGTK PVTQTPQAAVTSNVAAPAQV AQTQPQR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2E0G . "Dnaa N-Terminal Domain" . . . . . 100.00 107 100.00 100.00 2.78e-70 . . . . 10027 1 2 no DBJ BAB38060 . "replication initiation protein DnaA [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 467 99.07 99.07 1.56e-67 . . . . 10027 1 3 no DBJ BAE77592 . "chromosomal replication initiator protein DnaA, DNA-binding transcriptional dual regulator [Escherichia coli str. K12 substr. W" . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 4 no DBJ BAG79512 . "DNA replication initiator protein DnaA [Escherichia coli SE11]" . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 5 no DBJ BAI28038 . "chromosomal replication initiator protein DnaA, DNA-binding transcriptional dual regulator [Escherichia coli O26:H11 str. 11368" . . . . . 100.00 467 100.00 100.00 1.28e-68 . . . . 10027 1 6 no DBJ BAI33157 . "chromosomal replication initiator protein DnaA, DNA-binding transcriptional dual regulator [Escherichia coli O103:H2 str. 12009" . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 7 no EMBL CAP78161 . "chromosomal replication initiator protein dnaA [Escherichia coli LF82]" . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 8 no EMBL CAQ34046 . "chromosomal replication initiator protein DnaA; DNA-binding transcriptional dual regulator [Escherichia coli BL21(DE3)]" . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 9 no EMBL CAR00675 . "chromosomal replication initiator protein DnaA, DNA-binding transcriptional dual regulator [Escherichia coli IAI1]" . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 10 no EMBL CAR05331 . "chromosomal replication initiator protein DnaA, DNA-binding transcriptional dual regulator [Escherichia coli S88]" . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 11 no EMBL CAR10518 . "chromosomal replication initiator protein DnaA, DNA-binding transcriptional dual regulator [Escherichia coli ED1a]" . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 12 no GB AAA62053 . "dnaA (CG Site No. 851) [Escherichia coli]" . . . . . 100.00 471 100.00 100.00 1.29e-68 . . . . 10027 1 13 no GB AAB59149 . "DnaA protein (gtg start codon) [Escherichia coli]" . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 14 no GB AAC76725 . "chromosomal replication initiator protein DnaA, DNA-binding transcriptional dual regulator [Escherichia coli str. K-12 substr. " . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 15 no GB AAG58899 . "DNA biosynthesis; initiation of chromosome replication; can be transcription regulator [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 467 99.07 99.07 1.56e-67 . . . . 10027 1 16 no GB AAN45205 . "replication initiation protein DnaA [Shigella flexneri 2a str. 301]" . . . . . 79.44 408 100.00 100.00 9.71e-51 . . . . 10027 1 17 no REF NP_312664 . "chromosomal replication initiation protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 467 99.07 99.07 1.56e-67 . . . . 10027 1 18 no REF NP_418157 . "chromosomal replication initiator protein DnaA, DNA-binding transcriptional dual regulator [Escherichia coli str. K-12 substr. " . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 19 no REF WP_000059087 . "chromosomal replication initiator protein DnaA [Escherichia coli]" . . . . . 100.00 467 99.07 99.07 4.33e-68 . . . . 10027 1 20 no REF WP_000059101 . "chromosomal replication initiator protein DnaA [Shigella dysenteriae]" . . . . . 100.00 467 99.07 99.07 1.61e-67 . . . . 10027 1 21 no REF WP_000059102 . "MULTISPECIES: chromosomal replication initiator protein DnaA [Escherichia]" . . . . . 100.00 467 98.13 98.13 2.29e-67 . . . . 10027 1 22 no SP A7ZTQ8 . "RecName: Full=Chromosomal replication initiator protein DnaA" . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 23 no SP A8A6G3 . "RecName: Full=Chromosomal replication initiator protein DnaA" . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 24 no SP B1IYP2 . "RecName: Full=Chromosomal replication initiator protein DnaA" . . . . . 100.00 467 100.00 100.00 1.23e-68 . . . . 10027 1 25 no SP B1LL27 . "RecName: Full=Chromosomal replication initiator protein DnaA" . . . . . 100.00 467 100.00 100.00 1.38e-68 . . . . 10027 1 26 no SP B2TUS6 . "RecName: Full=Chromosomal replication initiator protein DnaA" . . . . . 100.00 467 100.00 100.00 1.22e-68 . . . . 10027 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'replication initiation' 10027 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DnaA . 10027 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID DnaA 'CAS name' 10027 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'replication initiation factor' 10027 1 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 . SER . 10027 1 2 . LEU . 10027 1 3 . SER . 10027 1 4 . LEU . 10027 1 5 . TRP . 10027 1 6 . GLN . 10027 1 7 . GLN . 10027 1 8 . CYS . 10027 1 9 . LEU . 10027 1 10 . ALA . 10027 1 11 . ARG . 10027 1 12 . LEU . 10027 1 13 . GLN . 10027 1 14 . ASP . 10027 1 15 . GLU . 10027 1 16 . LEU . 10027 1 17 . PRO . 10027 1 18 . ALA . 10027 1 19 . THR . 10027 1 20 . GLU . 10027 1 21 . PHE . 10027 1 22 . SER . 10027 1 23 . MET . 10027 1 24 . TRP . 10027 1 25 . ILE . 10027 1 26 . ARG . 10027 1 27 . PRO . 10027 1 28 . LEU . 10027 1 29 . GLN . 10027 1 30 . ALA . 10027 1 31 . GLU . 10027 1 32 . LEU . 10027 1 33 . SER . 10027 1 34 . ASP . 10027 1 35 . ASN . 10027 1 36 . THR . 10027 1 37 . LEU . 10027 1 38 . ALA . 10027 1 39 . LEU . 10027 1 40 . TYR . 10027 1 41 . ALA . 10027 1 42 . PRO . 10027 1 43 . ASN . 10027 1 44 . ARG . 10027 1 45 . PHE . 10027 1 46 . VAL . 10027 1 47 . LEU . 10027 1 48 . ASP . 10027 1 49 . TRP . 10027 1 50 . VAL . 10027 1 51 . ARG . 10027 1 52 . ASP . 10027 1 53 . LYS . 10027 1 54 . TYR . 10027 1 55 . LEU . 10027 1 56 . ASN . 10027 1 57 . ASN . 10027 1 58 . ILE . 10027 1 59 . ASN . 10027 1 60 . GLY . 10027 1 61 . LEU . 10027 1 62 . LEU . 10027 1 63 . THR . 10027 1 64 . SER . 10027 1 65 . PHE . 10027 1 66 . CYS . 10027 1 67 . GLY . 10027 1 68 . ALA . 10027 1 69 . ASP . 10027 1 70 . ALA . 10027 1 71 . PRO . 10027 1 72 . GLN . 10027 1 73 . LEU . 10027 1 74 . ARG . 10027 1 75 . PHE . 10027 1 76 . GLU . 10027 1 77 . VAL . 10027 1 78 . GLY . 10027 1 79 . THR . 10027 1 80 . LYS . 10027 1 81 . PRO . 10027 1 82 . VAL . 10027 1 83 . THR . 10027 1 84 . GLN . 10027 1 85 . THR . 10027 1 86 . PRO . 10027 1 87 . GLN . 10027 1 88 . ALA . 10027 1 89 . ALA . 10027 1 90 . VAL . 10027 1 91 . THR . 10027 1 92 . SER . 10027 1 93 . ASN . 10027 1 94 . VAL . 10027 1 95 . ALA . 10027 1 96 . ALA . 10027 1 97 . PRO . 10027 1 98 . ALA . 10027 1 99 . GLN . 10027 1 100 . VAL . 10027 1 101 . ALA . 10027 1 102 . GLN . 10027 1 103 . THR . 10027 1 104 . GLN . 10027 1 105 . PRO . 10027 1 106 . GLN . 10027 1 107 . ARG . 10027 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 . SER 1 1 10027 1 . LEU 2 2 10027 1 . SER 3 3 10027 1 . LEU 4 4 10027 1 . TRP 5 5 10027 1 . GLN 6 6 10027 1 . GLN 7 7 10027 1 . CYS 8 8 10027 1 . LEU 9 9 10027 1 . ALA 10 10 10027 1 . ARG 11 11 10027 1 . LEU 12 12 10027 1 . GLN 13 13 10027 1 . ASP 14 14 10027 1 . GLU 15 15 10027 1 . LEU 16 16 10027 1 . PRO 17 17 10027 1 . ALA 18 18 10027 1 . THR 19 19 10027 1 . GLU 20 20 10027 1 . PHE 21 21 10027 1 . SER 22 22 10027 1 . MET 23 23 10027 1 . TRP 24 24 10027 1 . ILE 25 25 10027 1 . ARG 26 26 10027 1 . PRO 27 27 10027 1 . LEU 28 28 10027 1 . GLN 29 29 10027 1 . ALA 30 30 10027 1 . GLU 31 31 10027 1 . LEU 32 32 10027 1 . SER 33 33 10027 1 . ASP 34 34 10027 1 . ASN 35 35 10027 1 . THR 36 36 10027 1 . LEU 37 37 10027 1 . ALA 38 38 10027 1 . LEU 39 39 10027 1 . TYR 40 40 10027 1 . ALA 41 41 10027 1 . PRO 42 42 10027 1 . ASN 43 43 10027 1 . ARG 44 44 10027 1 . PHE 45 45 10027 1 . VAL 46 46 10027 1 . LEU 47 47 10027 1 . ASP 48 48 10027 1 . TRP 49 49 10027 1 . VAL 50 50 10027 1 . ARG 51 51 10027 1 . ASP 52 52 10027 1 . LYS 53 53 10027 1 . TYR 54 54 10027 1 . LEU 55 55 10027 1 . ASN 56 56 10027 1 . ASN 57 57 10027 1 . ILE 58 58 10027 1 . ASN 59 59 10027 1 . GLY 60 60 10027 1 . LEU 61 61 10027 1 . LEU 62 62 10027 1 . THR 63 63 10027 1 . SER 64 64 10027 1 . PHE 65 65 10027 1 . CYS 66 66 10027 1 . GLY 67 67 10027 1 . ALA 68 68 10027 1 . ASP 69 69 10027 1 . ALA 70 70 10027 1 . PRO 71 71 10027 1 . GLN 72 72 10027 1 . LEU 73 73 10027 1 . ARG 74 74 10027 1 . PHE 75 75 10027 1 . GLU 76 76 10027 1 . VAL 77 77 10027 1 . GLY 78 78 10027 1 . THR 79 79 10027 1 . LYS 80 80 10027 1 . PRO 81 81 10027 1 . VAL 82 82 10027 1 . THR 83 83 10027 1 . GLN 84 84 10027 1 . THR 85 85 10027 1 . PRO 86 86 10027 1 . GLN 87 87 10027 1 . ALA 88 88 10027 1 . ALA 89 89 10027 1 . VAL 90 90 10027 1 . THR 91 91 10027 1 . SER 92 92 10027 1 . ASN 93 93 10027 1 . VAL 94 94 10027 1 . ALA 95 95 10027 1 . ALA 96 96 10027 1 . PRO 97 97 10027 1 . ALA 98 98 10027 1 . GLN 99 99 10027 1 . VAL 100 100 10027 1 . ALA 101 101 10027 1 . GLN 102 102 10027 1 . THR 103 103 10027 1 . GLN 104 104 10027 1 . PRO 105 105 10027 1 . GLN 106 106 10027 1 . ARG 107 107 10027 1 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 10027 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $DnaA_N . 83333 . no . 'Bacterium coli' . . Eubacteria Protista Escherichia Coli K-12 . . . . . 'Escherichia coli BL-21' . . cytosol . . 'no (cytoplasm)' . . . dnaA . . . . 10027 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID 1 1 $DnaA_N . Genebank . 399394 . dnaA . . 10027 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 10027 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $DnaA_N . 'recombinant technology' . 'bacterium coli' . 83333 Escherichia coli K-12 . . . . . BL-21 . . . . . . plasmid . . pET-22b . invitrogen . . . . 10027 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10027 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'N-terminal domain of DnaA' '[U-13C; U-15N]' . . 1 $DnaA_N . protein 0.5 . . mM 0.2 . . . 10027 1 2 'sodium phosphate' . . . . . . buffer 50 . . mM . . . . 10027 1 3 'ethylenediaminetetracetic acid' . . . . . . additive 1 . . mM . . . . 10027 1 4 'sodium chloride' . . . . . . salt 40 . . mM . . . . 10027 1 5 Dithiothreitol . . . . . . additive 2 . . mM . . . . 10027 1 6 sucrose . . . . . . additive 10 . . % . . . . 10027 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10027 _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 pH 6.0 0.2 pH 10027 1 temperature 298 0.5 K 10027 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10027 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dlaglio, F' . delaglio@nih.gov 10027 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Fourier Transfer' 10027 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10027 _Software.ID 2 _Software.Name Olivia _Software.Version 1.13.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'hokkaido University' Japan yokochi@pharm.hokudai.ac.jp 10027 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 10027 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10027 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Inova 600' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10027 _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 '1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 2 '1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 3 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 4 HNCOCA no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 5 HNCACO no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 6 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 7 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 8 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 9 '15N 3D TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 10 '15N enhanced NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 11 'HCCH TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 12 'HCCH COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 13 '13C enhanced NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 14 '1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 15 '1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10027 1 stop_ save_ save_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N_HSQC _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H-13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-13C_HSQC _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCOCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCOCA _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCOCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACO _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_3D_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_3D_TOCSY _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N 3D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_enhanced_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_enhanced_NOESY _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '15N enhanced NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH_TOCSY _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 'HCCH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH_COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH_COSY _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 'HCCH COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_enhanced_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_enhanced_NOESY _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '13C enhanced NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H_NOESY _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H_TOCSY _NMR_spec_expt.Entry_ID 10027 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10027 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10027 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 10027 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10027 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_pH6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode pH6 _Assigned_chem_shift_list.Entry_ID 10027 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '1H-15N HSQC' 1 $sample_1 isotropic 10027 1 2 '1H-13C HSQC' 1 $sample_1 isotropic 10027 1 3 HNCA 1 $sample_1 isotropic 10027 1 4 HNCOCA 1 $sample_1 isotropic 10027 1 5 HNCACO 1 $sample_1 isotropic 10027 1 6 HNCO 1 $sample_1 isotropic 10027 1 7 CBCACONH 1 $sample_1 isotropic 10027 1 8 HNCACB 1 $sample_1 isotropic 10027 1 9 '15N 3D TOCSY' 1 $sample_1 isotropic 10027 1 10 '15N enhanced NOESY' 1 $sample_1 isotropic 10027 1 11 'HCCH TOCSY' 1 $sample_1 isotropic 10027 1 12 'HCCH COSY' 1 $sample_1 isotropic 10027 1 13 '13C enhanced NOESY' 1 $sample_1 isotropic 10027 1 14 '1H NOESY' 1 $sample_1 isotropic 10027 1 15 '1H TOCSY' 1 $sample_1 isotropic 10027 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 10027 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.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 LEU HA H 1 4.49 0.02 . 1 . . . . 2 LEU HA . 10027 1 2 . 1 1 2 2 LEU HB2 H 1 1.521 0.02 . 1 . . . . 2 LEU HB2 . 10027 1 3 . 1 1 2 2 LEU HB3 H 1 1.543 0.02 . 1 . . . . 2 LEU HB3 . 10027 1 4 . 1 1 2 2 LEU HG H 1 1.599 0.02 . 1 . . . . 2 LEU HG . 10027 1 5 . 1 1 2 2 LEU HD11 H 1 0.746 0.02 . 2 . . . . 2 LEU HD1 . 10027 1 6 . 1 1 2 2 LEU HD12 H 1 0.746 0.02 . 2 . . . . 2 LEU HD1 . 10027 1 7 . 1 1 2 2 LEU HD13 H 1 0.746 0.02 . 2 . . . . 2 LEU HD1 . 10027 1 8 . 1 1 2 2 LEU HD21 H 1 0.746 0.02 . 2 . . . . 2 LEU HD2 . 10027 1 9 . 1 1 2 2 LEU HD22 H 1 0.746 0.02 . 2 . . . . 2 LEU HD2 . 10027 1 10 . 1 1 2 2 LEU HD23 H 1 0.746 0.02 . 2 . . . . 2 LEU HD2 . 10027 1 11 . 1 1 2 2 LEU C C 13 177.483 0.1 . 1 . . . . 2 LEU C . 10027 1 12 . 1 1 2 2 LEU CA C 13 54.672 0.1 . 1 . . . . 2 LEU CA . 10027 1 13 . 1 1 2 2 LEU CB C 13 43.16 0.1 . 1 . . . . 2 LEU CB . 10027 1 14 . 1 1 2 2 LEU CG C 13 24.9 0.1 . 1 . . . . 2 LEU CG . 10027 1 15 . 1 1 2 2 LEU CD1 C 13 23.142 0.1 . 4 . . . . 2 LEU CD1 . 10027 1 16 . 1 1 2 2 LEU CD2 C 13 23.142 0.1 . 4 . . . . 2 LEU CD2 . 10027 1 17 . 1 1 3 3 SER H H 1 8.792 0.02 . 1 . . . . 3 SER H . 10027 1 18 . 1 1 3 3 SER HA H 1 4.288 0.02 . 1 . . . . 3 SER HA . 10027 1 19 . 1 1 3 3 SER HB2 H 1 3.998 0.02 . 2 . . . . 3 SER HB2 . 10027 1 20 . 1 1 3 3 SER HB3 H 1 3.998 0.02 . 2 . . . . 3 SER HB3 . 10027 1 21 . 1 1 3 3 SER C C 13 175.004 0.1 . 1 . . . . 3 SER C . 10027 1 22 . 1 1 3 3 SER CA C 13 58.009 0.1 . 1 . . . . 3 SER CA . 10027 1 23 . 1 1 3 3 SER CB C 13 64.443 0.1 . 1 . . . . 3 SER CB . 10027 1 24 . 1 1 3 3 SER N N 15 120.152 0.2 . 1 . . . . 3 SER N . 10027 1 25 . 1 1 4 4 LEU H H 1 8.706 0.02 . 1 . . . . 4 LEU H . 10027 1 26 . 1 1 4 4 LEU HA H 1 4.004 0.02 . 1 . . . . 4 LEU HA . 10027 1 27 . 1 1 4 4 LEU HB2 H 1 1.625 0.02 . 2 . . . . 4 LEU HB2 . 10027 1 28 . 1 1 4 4 LEU HB3 H 1 1.625 0.02 . 2 . . . . 4 LEU HB3 . 10027 1 29 . 1 1 4 4 LEU HG H 1 1.675 0.02 . 1 . . . . 4 LEU HG . 10027 1 30 . 1 1 4 4 LEU HD11 H 1 0.939 0.02 . 2 . . . . 4 LEU HD1 . 10027 1 31 . 1 1 4 4 LEU HD12 H 1 0.939 0.02 . 2 . . . . 4 LEU HD1 . 10027 1 32 . 1 1 4 4 LEU HD13 H 1 0.939 0.02 . 2 . . . . 4 LEU HD1 . 10027 1 33 . 1 1 4 4 LEU HD21 H 1 0.939 0.02 . 2 . . . . 4 LEU HD2 . 10027 1 34 . 1 1 4 4 LEU HD22 H 1 0.939 0.02 . 2 . . . . 4 LEU HD2 . 10027 1 35 . 1 1 4 4 LEU HD23 H 1 0.939 0.02 . 2 . . . . 4 LEU HD2 . 10027 1 36 . 1 1 4 4 LEU C C 13 179.354 0.1 . 1 . . . . 4 LEU C . 10027 1 37 . 1 1 4 4 LEU CA C 13 58.432 0.1 . 1 . . . . 4 LEU CA . 10027 1 38 . 1 1 4 4 LEU CB C 13 42.01 0.1 . 1 . . . . 4 LEU CB . 10027 1 39 . 1 1 4 4 LEU CG C 13 26.618 0.1 . 1 . . . . 4 LEU CG . 10027 1 40 . 1 1 4 4 LEU CD1 C 13 24.924 0.1 . 4 . . . . 4 LEU CD1 . 10027 1 41 . 1 1 4 4 LEU CD2 C 13 24.924 0.1 . 4 . . . . 4 LEU CD2 . 10027 1 42 . 1 1 4 4 LEU N N 15 122.68 0.2 . 1 . . . . 4 LEU N . 10027 1 43 . 1 1 5 5 TRP H H 1 8.73 0.02 . 1 . . . . 5 TRP H . 10027 1 44 . 1 1 5 5 TRP HA H 1 4.705 0.02 . 1 . . . . 5 TRP HA . 10027 1 45 . 1 1 5 5 TRP HB2 H 1 3.015 0.02 . 2 . . . . 5 TRP HB2 . 10027 1 46 . 1 1 5 5 TRP HB3 H 1 3.015 0.02 . 2 . . . . 5 TRP HB3 . 10027 1 47 . 1 1 5 5 TRP HD1 H 1 7.061 0.02 . 1 . . . . 5 TRP HD1 . 10027 1 48 . 1 1 5 5 TRP HE1 H 1 10.085 0.02 . 1 . . . . 5 TRP HE1 . 10027 1 49 . 1 1 5 5 TRP HE3 H 1 7.39 0.02 . 1 . . . . 5 TRP HE3 . 10027 1 50 . 1 1 5 5 TRP HZ2 H 1 7.177 0.02 . 1 . . . . 5 TRP HZ2 . 10027 1 51 . 1 1 5 5 TRP HZ3 H 1 7.161 0.02 . 1 . . . . 5 TRP HZ3 . 10027 1 52 . 1 1 5 5 TRP HH2 H 1 6.691 0.02 . 1 . . . . 5 TRP HH2 . 10027 1 53 . 1 1 5 5 TRP C C 13 177.246 0.1 . 1 . . . . 5 TRP C . 10027 1 54 . 1 1 5 5 TRP CA C 13 59.119 0.1 . 1 . . . . 5 TRP CA . 10027 1 55 . 1 1 5 5 TRP CB C 13 30.124 0.1 . 1 . . . . 5 TRP CB . 10027 1 56 . 1 1 5 5 TRP CD1 C 13 128.393 0.1 . 1 . . . . 5 TRP CD1 . 10027 1 57 . 1 1 5 5 TRP CZ2 C 13 114.335 0.1 . 1 . . . . 5 TRP CZ2 . 10027 1 58 . 1 1 5 5 TRP CZ3 C 13 124.555 0.1 . 1 . . . . 5 TRP CZ3 . 10027 1 59 . 1 1 5 5 TRP CH2 C 13 122.458 0.1 . 1 . . . . 5 TRP CH2 . 10027 1 60 . 1 1 5 5 TRP N N 15 117.642 0.2 . 1 . . . . 5 TRP N . 10027 1 61 . 1 1 5 5 TRP NE1 N 15 127.406 0.2 . 1 . . . . 5 TRP NE1 . 10027 1 62 . 1 1 6 6 GLN H H 1 7.837 0.02 . 1 . . . . 6 GLN H . 10027 1 63 . 1 1 6 6 GLN HA H 1 3.618 0.02 . 1 . . . . 6 GLN HA . 10027 1 64 . 1 1 6 6 GLN HB2 H 1 1.936 0.02 . 2 . . . . 6 GLN HB2 . 10027 1 65 . 1 1 6 6 GLN HB3 H 1 1.936 0.02 . 2 . . . . 6 GLN HB3 . 10027 1 66 . 1 1 6 6 GLN HG2 H 1 2.356 0.02 . 2 . . . . 6 GLN HG2 . 10027 1 67 . 1 1 6 6 GLN HG3 H 1 2.356 0.02 . 2 . . . . 6 GLN HG3 . 10027 1 68 . 1 1 6 6 GLN C C 13 179.436 0.1 . 1 . . . . 6 GLN C . 10027 1 69 . 1 1 6 6 GLN CA C 13 59.213 0.1 . 1 . . . . 6 GLN CA . 10027 1 70 . 1 1 6 6 GLN CB C 13 28.774 0.1 . 1 . . . . 6 GLN CB . 10027 1 71 . 1 1 6 6 GLN CG C 13 34.41 0.1 . 1 . . . . 6 GLN CG . 10027 1 72 . 1 1 6 6 GLN N N 15 117.113 0.2 . 1 . . . . 6 GLN N . 10027 1 73 . 1 1 7 7 GLN H H 1 6.359 0.02 . 1 . . . . 7 GLN H . 10027 1 74 . 1 1 7 7 GLN HA H 1 3.835 0.02 . 1 . . . . 7 GLN HA . 10027 1 75 . 1 1 7 7 GLN HB2 H 1 1.769 0.02 . 2 . . . . 7 GLN HB2 . 10027 1 76 . 1 1 7 7 GLN HB3 H 1 1.769 0.02 . 2 . . . . 7 GLN HB3 . 10027 1 77 . 1 1 7 7 GLN HG2 H 1 2.105 0.02 . 2 . . . . 7 GLN HG2 . 10027 1 78 . 1 1 7 7 GLN HG3 H 1 2.105 0.02 . 2 . . . . 7 GLN HG3 . 10027 1 79 . 1 1 7 7 GLN HE21 H 1 6.507 0.02 . 1 . . . . 7 GLN HE21 . 10027 1 80 . 1 1 7 7 GLN HE22 H 1 6.383 0.02 . 1 . . . . 7 GLN HE22 . 10027 1 81 . 1 1 7 7 GLN C C 13 179.164 0.1 . 1 . . . . 7 GLN C . 10027 1 82 . 1 1 7 7 GLN CA C 13 59.437 0.1 . 1 . . . . 7 GLN CA . 10027 1 83 . 1 1 7 7 GLN CB C 13 29.088 0.1 . 1 . . . . 7 GLN CB . 10027 1 84 . 1 1 7 7 GLN CG C 13 34.969 0.1 . 1 . . . . 7 GLN CG . 10027 1 85 . 1 1 7 7 GLN N N 15 109.406 0.2 . 1 . . . . 7 GLN N . 10027 1 86 . 1 1 7 7 GLN NE2 N 15 109.209 0.2 . 1 . . . . 7 GLN NE2 . 10027 1 87 . 1 1 8 8 CYS H H 1 7.741 0.02 . 1 . . . . 8 CYS H . 10027 1 88 . 1 1 8 8 CYS HA H 1 4.064 0.02 . 1 . . . . 8 CYS HA . 10027 1 89 . 1 1 8 8 CYS HB2 H 1 2.943 0.02 . 1 . . . . 8 CYS HB2 . 10027 1 90 . 1 1 8 8 CYS HB3 H 1 2.03 0.02 . 1 . . . . 8 CYS HB3 . 10027 1 91 . 1 1 8 8 CYS C C 13 176.428 0.1 . 1 . . . . 8 CYS C . 10027 1 92 . 1 1 8 8 CYS CA C 13 63.953 0.1 . 1 . . . . 8 CYS CA . 10027 1 93 . 1 1 8 8 CYS CB C 13 27.026 0.1 . 1 . . . . 8 CYS CB . 10027 1 94 . 1 1 8 8 CYS N N 15 118.233 0.2 . 1 . . . . 8 CYS N . 10027 1 95 . 1 1 9 9 LEU H H 1 8.482 0.02 . 1 . . . . 9 LEU H . 10027 1 96 . 1 1 9 9 LEU HA H 1 3.418 0.02 . 1 . . . . 9 LEU HA . 10027 1 97 . 1 1 9 9 LEU HB2 H 1 1.478 0.02 . 1 . . . . 9 LEU HB2 . 10027 1 98 . 1 1 9 9 LEU HB3 H 1 1.196 0.02 . 1 . . . . 9 LEU HB3 . 10027 1 99 . 1 1 9 9 LEU HG H 1 1.47 0.02 . 1 . . . . 9 LEU HG . 10027 1 100 . 1 1 9 9 LEU HD11 H 1 0.665 0.02 . 2 . . . . 9 LEU HD1 . 10027 1 101 . 1 1 9 9 LEU HD12 H 1 0.665 0.02 . 2 . . . . 9 LEU HD1 . 10027 1 102 . 1 1 9 9 LEU HD13 H 1 0.665 0.02 . 2 . . . . 9 LEU HD1 . 10027 1 103 . 1 1 9 9 LEU HD21 H 1 0.521 0.02 . 2 . . . . 9 LEU HD2 . 10027 1 104 . 1 1 9 9 LEU HD22 H 1 0.521 0.02 . 2 . . . . 9 LEU HD2 . 10027 1 105 . 1 1 9 9 LEU HD23 H 1 0.521 0.02 . 2 . . . . 9 LEU HD2 . 10027 1 106 . 1 1 9 9 LEU C C 13 178.288 0.1 . 1 . . . . 9 LEU C . 10027 1 107 . 1 1 9 9 LEU CA C 13 57.863 0.1 . 1 . . . . 9 LEU CA . 10027 1 108 . 1 1 9 9 LEU CB C 13 42.436 0.1 . 1 . . . . 9 LEU CB . 10027 1 109 . 1 1 9 9 LEU CG C 13 25.202 0.1 . 1 . . . . 9 LEU CG . 10027 1 110 . 1 1 9 9 LEU CD1 C 13 25.266 0.1 . 1 . . . . 9 LEU CD1 . 10027 1 111 . 1 1 9 9 LEU CD2 C 13 23.806 0.1 . 1 . . . . 9 LEU CD2 . 10027 1 112 . 1 1 9 9 LEU N N 15 119.981 0.2 . 1 . . . . 9 LEU N . 10027 1 113 . 1 1 10 10 ALA H H 1 7.357 0.02 . 1 . . . . 10 ALA H . 10027 1 114 . 1 1 10 10 ALA HA H 1 3.84 0.02 . 1 . . . . 10 ALA HA . 10027 1 115 . 1 1 10 10 ALA HB1 H 1 1.326 0.02 . 1 . . . . 10 ALA HB . 10027 1 116 . 1 1 10 10 ALA HB2 H 1 1.326 0.02 . 1 . . . . 10 ALA HB . 10027 1 117 . 1 1 10 10 ALA HB3 H 1 1.326 0.02 . 1 . . . . 10 ALA HB . 10027 1 118 . 1 1 10 10 ALA C C 13 180.119 0.1 . 1 . . . . 10 ALA C . 10027 1 119 . 1 1 10 10 ALA CA C 13 54.827 0.1 . 1 . . . . 10 ALA CA . 10027 1 120 . 1 1 10 10 ALA CB C 13 18.117 0.1 . 1 . . . . 10 ALA CB . 10027 1 121 . 1 1 10 10 ALA N N 15 119.114 0.2 . 1 . . . . 10 ALA N . 10027 1 122 . 1 1 11 11 ARG H H 1 6.964 0.02 . 1 . . . . 11 ARG H . 10027 1 123 . 1 1 11 11 ARG HA H 1 4.185 0.02 . 1 . . . . 11 ARG HA . 10027 1 124 . 1 1 11 11 ARG HB2 H 1 1.833 0.02 . 1 . . . . 11 ARG HB2 . 10027 1 125 . 1 1 11 11 ARG HB3 H 1 1.987 0.02 . 1 . . . . 11 ARG HB3 . 10027 1 126 . 1 1 11 11 ARG HG2 H 1 1.542 0.02 . 2 . . . . 11 ARG HG2 . 10027 1 127 . 1 1 11 11 ARG HG3 H 1 1.542 0.02 . 2 . . . . 11 ARG HG3 . 10027 1 128 . 1 1 11 11 ARG HD2 H 1 3.23 0.02 . 2 . . . . 11 ARG HD2 . 10027 1 129 . 1 1 11 11 ARG HD3 H 1 3.23 0.02 . 2 . . . . 11 ARG HD3 . 10027 1 130 . 1 1 11 11 ARG C C 13 179.24 0.1 . 1 . . . . 11 ARG C . 10027 1 131 . 1 1 11 11 ARG CA C 13 57.382 0.1 . 1 . . . . 11 ARG CA . 10027 1 132 . 1 1 11 11 ARG CB C 13 30.502 0.1 . 1 . . . . 11 ARG CB . 10027 1 133 . 1 1 11 11 ARG CG C 13 27.153 0.1 . 1 . . . . 11 ARG CG . 10027 1 134 . 1 1 11 11 ARG CD C 13 41.306 0.1 . 1 . . . . 11 ARG CD . 10027 1 135 . 1 1 11 11 ARG N N 15 115.682 0.2 . 1 . . . . 11 ARG N . 10027 1 136 . 1 1 12 12 LEU H H 1 8.639 0.02 . 1 . . . . 12 LEU H . 10027 1 137 . 1 1 12 12 LEU HA H 1 3.936 0.02 . 1 . . . . 12 LEU HA . 10027 1 138 . 1 1 12 12 LEU HB2 H 1 1.908 0.02 . 1 . . . . 12 LEU HB2 . 10027 1 139 . 1 1 12 12 LEU HB3 H 1 1.666 0.02 . 1 . . . . 12 LEU HB3 . 10027 1 140 . 1 1 12 12 LEU HG H 1 1.274 0.02 . 1 . . . . 12 LEU HG . 10027 1 141 . 1 1 12 12 LEU HD11 H 1 0.698 0.02 . 2 . . . . 12 LEU HD1 . 10027 1 142 . 1 1 12 12 LEU HD12 H 1 0.698 0.02 . 2 . . . . 12 LEU HD1 . 10027 1 143 . 1 1 12 12 LEU HD13 H 1 0.698 0.02 . 2 . . . . 12 LEU HD1 . 10027 1 144 . 1 1 12 12 LEU HD21 H 1 0.544 0.02 . 2 . . . . 12 LEU HD2 . 10027 1 145 . 1 1 12 12 LEU HD22 H 1 0.544 0.02 . 2 . . . . 12 LEU HD2 . 10027 1 146 . 1 1 12 12 LEU HD23 H 1 0.544 0.02 . 2 . . . . 12 LEU HD2 . 10027 1 147 . 1 1 12 12 LEU C C 13 177.965 0.1 . 1 . . . . 12 LEU C . 10027 1 148 . 1 1 12 12 LEU CA C 13 58.124 0.1 . 1 . . . . 12 LEU CA . 10027 1 149 . 1 1 12 12 LEU CB C 13 41.515 0.1 . 1 . . . . 12 LEU CB . 10027 1 150 . 1 1 12 12 LEU CG C 13 26.254 0.1 . 1 . . . . 12 LEU CG . 10027 1 151 . 1 1 12 12 LEU CD1 C 13 22.925 0.1 . 1 . . . . 12 LEU CD1 . 10027 1 152 . 1 1 12 12 LEU CD2 C 13 27.369 0.1 . 1 . . . . 12 LEU CD2 . 10027 1 153 . 1 1 12 12 LEU N N 15 120.433 0.2 . 1 . . . . 12 LEU N . 10027 1 154 . 1 1 13 13 GLN H H 1 8.225 0.02 . 1 . . . . 13 GLN H . 10027 1 155 . 1 1 13 13 GLN HA H 1 3.006 0.02 . 1 . . . . 13 GLN HA . 10027 1 156 . 1 1 13 13 GLN HB2 H 1 1.451 0.02 . 1 . . . . 13 GLN HB2 . 10027 1 157 . 1 1 13 13 GLN HB3 H 1 1.202 0.02 . 1 . . . . 13 GLN HB3 . 10027 1 158 . 1 1 13 13 GLN HG2 H 1 1.718 0.02 . 1 . . . . 13 GLN HG2 . 10027 1 159 . 1 1 13 13 GLN HG3 H 1 1.274 0.02 . 1 . . . . 13 GLN HG3 . 10027 1 160 . 1 1 13 13 GLN HE21 H 1 7.315 0.02 . 1 . . . . 13 GLN HE21 . 10027 1 161 . 1 1 13 13 GLN C C 13 177.346 0.1 . 1 . . . . 13 GLN C . 10027 1 162 . 1 1 13 13 GLN CA C 13 57.909 0.1 . 1 . . . . 13 GLN CA . 10027 1 163 . 1 1 13 13 GLN CB C 13 27.394 0.1 . 1 . . . . 13 GLN CB . 10027 1 164 . 1 1 13 13 GLN CG C 13 33.736 0.1 . 1 . . . . 13 GLN CG . 10027 1 165 . 1 1 13 13 GLN N N 15 117.713 0.2 . 1 . . . . 13 GLN N . 10027 1 166 . 1 1 13 13 GLN NE2 N 15 112.117 0.2 . 1 . . . . 13 GLN NE2 . 10027 1 167 . 1 1 14 14 ASP H H 1 6.947 0.02 . 1 . . . . 14 ASP H . 10027 1 168 . 1 1 14 14 ASP HA H 1 4.461 0.02 . 1 . . . . 14 ASP HA . 10027 1 169 . 1 1 14 14 ASP HB2 H 1 2.666 0.02 . 1 . . . . 14 ASP HB2 . 10027 1 170 . 1 1 14 14 ASP C C 13 177.392 0.1 . 1 . . . . 14 ASP C . 10027 1 171 . 1 1 14 14 ASP CA C 13 55.933 0.1 . 1 . . . . 14 ASP CA . 10027 1 172 . 1 1 14 14 ASP CB C 13 41.469 0.1 . 1 . . . . 14 ASP CB . 10027 1 173 . 1 1 14 14 ASP N N 15 116.314 0.2 . 1 . . . . 14 ASP N . 10027 1 174 . 1 1 15 15 GLU H H 1 7.561 0.02 . 1 . . . . 15 GLU H . 10027 1 175 . 1 1 15 15 GLU HA H 1 4.205 0.02 . 1 . . . . 15 GLU HA . 10027 1 176 . 1 1 15 15 GLU HB2 H 1 1.898 0.02 . 2 . . . . 15 GLU HB2 . 10027 1 177 . 1 1 15 15 GLU HB3 H 1 1.898 0.02 . 2 . . . . 15 GLU HB3 . 10027 1 178 . 1 1 15 15 GLU HG2 H 1 2.3 0.02 . 2 . . . . 15 GLU HG2 . 10027 1 179 . 1 1 15 15 GLU HG3 H 1 2.3 0.02 . 2 . . . . 15 GLU HG3 . 10027 1 180 . 1 1 15 15 GLU C C 13 176.742 0.1 . 1 . . . . 15 GLU C . 10027 1 181 . 1 1 15 15 GLU CA C 13 57.685 0.1 . 1 . . . . 15 GLU CA . 10027 1 182 . 1 1 15 15 GLU CB C 13 32.069 0.1 . 1 . . . . 15 GLU CB . 10027 1 183 . 1 1 15 15 GLU CG C 13 36.363 0.1 . 1 . . . . 15 GLU CG . 10027 1 184 . 1 1 15 15 GLU N N 15 117.057 0.2 . 1 . . . . 15 GLU N . 10027 1 185 . 1 1 16 16 LEU H H 1 7.958 0.02 . 1 . . . . 16 LEU H . 10027 1 186 . 1 1 16 16 LEU HA H 1 4.698 0.02 . 1 . . . . 16 LEU HA . 10027 1 187 . 1 1 16 16 LEU HB2 H 1 1.769 0.02 . 2 . . . . 16 LEU HB2 . 10027 1 188 . 1 1 16 16 LEU HB3 H 1 1.769 0.02 . 2 . . . . 16 LEU HB3 . 10027 1 189 . 1 1 16 16 LEU HG H 1 1.142 0.02 . 1 . . . . 16 LEU HG . 10027 1 190 . 1 1 16 16 LEU HD11 H 1 0.772 0.02 . 2 . . . . 16 LEU HD1 . 10027 1 191 . 1 1 16 16 LEU HD12 H 1 0.772 0.02 . 2 . . . . 16 LEU HD1 . 10027 1 192 . 1 1 16 16 LEU HD13 H 1 0.772 0.02 . 2 . . . . 16 LEU HD1 . 10027 1 193 . 1 1 16 16 LEU HD21 H 1 0.688 0.02 . 2 . . . . 16 LEU HD2 . 10027 1 194 . 1 1 16 16 LEU HD22 H 1 0.688 0.02 . 2 . . . . 16 LEU HD2 . 10027 1 195 . 1 1 16 16 LEU HD23 H 1 0.688 0.02 . 2 . . . . 16 LEU HD2 . 10027 1 196 . 1 1 16 16 LEU CA C 13 53.473 0.1 . 1 . . . . 16 LEU CA . 10027 1 197 . 1 1 16 16 LEU CB C 13 42.815 0.1 . 1 . . . . 16 LEU CB . 10027 1 198 . 1 1 16 16 LEU CG C 13 27.45 0.1 . 1 . . . . 16 LEU CG . 10027 1 199 . 1 1 16 16 LEU CD1 C 13 26.236 0.1 . 1 . . . . 16 LEU CD1 . 10027 1 200 . 1 1 16 16 LEU CD2 C 13 24.014 0.1 . 1 . . . . 16 LEU CD2 . 10027 1 201 . 1 1 16 16 LEU N N 15 120.312 0.2 . 1 . . . . 16 LEU N . 10027 1 202 . 1 1 17 17 PRO HA H 1 4.495 0.02 . 1 . . . . 17 PRO HA . 10027 1 203 . 1 1 17 17 PRO HB2 H 1 2.58 0.02 . 1 . . . . 17 PRO HB2 . 10027 1 204 . 1 1 17 17 PRO HB3 H 1 1.858 0.02 . 1 . . . . 17 PRO HB3 . 10027 1 205 . 1 1 17 17 PRO HG2 H 1 2.26 0.02 . 1 . . . . 17 PRO HG2 . 10027 1 206 . 1 1 17 17 PRO HD2 H 1 3.513 0.02 . 2 . . . . 17 PRO HD2 . 10027 1 207 . 1 1 17 17 PRO HD3 H 1 3.513 0.02 . 2 . . . . 17 PRO HD3 . 10027 1 208 . 1 1 17 17 PRO C C 13 177.793 0.1 . 1 . . . . 17 PRO C . 10027 1 209 . 1 1 17 17 PRO CA C 13 62.711 0.1 . 1 . . . . 17 PRO CA . 10027 1 210 . 1 1 17 17 PRO CB C 13 32.521 0.1 . 1 . . . . 17 PRO CB . 10027 1 211 . 1 1 17 17 PRO CG C 13 28.064 0.1 . 1 . . . . 17 PRO CG . 10027 1 212 . 1 1 17 17 PRO CD C 13 49.982 0.1 . 1 . . . . 17 PRO CD . 10027 1 213 . 1 1 18 18 ALA H H 1 8.948 0.02 . 1 . . . . 18 ALA H . 10027 1 214 . 1 1 18 18 ALA HA H 1 4.153 0.02 . 1 . . . . 18 ALA HA . 10027 1 215 . 1 1 18 18 ALA HB1 H 1 1.5 0.02 . 1 . . . . 18 ALA HB . 10027 1 216 . 1 1 18 18 ALA HB2 H 1 1.5 0.02 . 1 . . . . 18 ALA HB . 10027 1 217 . 1 1 18 18 ALA HB3 H 1 1.5 0.02 . 1 . . . . 18 ALA HB . 10027 1 218 . 1 1 18 18 ALA C C 13 180.631 0.1 . 1 . . . . 18 ALA C . 10027 1 219 . 1 1 18 18 ALA CA C 13 56.042 0.1 . 1 . . . . 18 ALA CA . 10027 1 220 . 1 1 18 18 ALA CB C 13 18.552 0.1 . 1 . . . . 18 ALA CB . 10027 1 221 . 1 1 18 18 ALA N N 15 128.021 0.2 . 1 . . . . 18 ALA N . 10027 1 222 . 1 1 19 19 THR H H 1 8.477 0.02 . 1 . . . . 19 THR H . 10027 1 223 . 1 1 19 19 THR HA H 1 3.974 0.02 . 1 . . . . 19 THR HA . 10027 1 224 . 1 1 19 19 THR HB H 1 4.146 0.02 . 1 . . . . 19 THR HB . 10027 1 225 . 1 1 19 19 THR HG21 H 1 1.221 0.02 . 1 . . . . 19 THR HG2 . 10027 1 226 . 1 1 19 19 THR HG22 H 1 1.221 0.02 . 1 . . . . 19 THR HG2 . 10027 1 227 . 1 1 19 19 THR HG23 H 1 1.221 0.02 . 1 . . . . 19 THR HG2 . 10027 1 228 . 1 1 19 19 THR C C 13 176.621 0.1 . 1 . . . . 19 THR C . 10027 1 229 . 1 1 19 19 THR CA C 13 65.264 0.1 . 1 . . . . 19 THR CA . 10027 1 230 . 1 1 19 19 THR CB C 13 68.031 0.1 . 1 . . . . 19 THR CB . 10027 1 231 . 1 1 19 19 THR CG2 C 13 22.324 0.1 . 1 . . . . 19 THR CG2 . 10027 1 232 . 1 1 19 19 THR N N 15 109.888 0.2 . 1 . . . . 19 THR N . 10027 1 233 . 1 1 20 20 GLU H H 1 7.114 0.02 . 1 . . . . 20 GLU H . 10027 1 234 . 1 1 20 20 GLU HA H 1 4.254 0.02 . 1 . . . . 20 GLU HA . 10027 1 235 . 1 1 20 20 GLU HB2 H 1 2.581 0.02 . 1 . . . . 20 GLU HB2 . 10027 1 236 . 1 1 20 20 GLU HB3 H 1 2.208 0.02 . 1 . . . . 20 GLU HB3 . 10027 1 237 . 1 1 20 20 GLU HG2 H 1 2.936 0.02 . 1 . . . . 20 GLU HG2 . 10027 1 238 . 1 1 20 20 GLU C C 13 178.05 0.1 . 1 . . . . 20 GLU C . 10027 1 239 . 1 1 20 20 GLU CA C 13 58.859 0.1 . 1 . . . . 20 GLU CA . 10027 1 240 . 1 1 20 20 GLU CB C 13 30.169 0.1 . 1 . . . . 20 GLU CB . 10027 1 241 . 1 1 20 20 GLU CG C 13 37.404 0.1 . 1 . . . . 20 GLU CG . 10027 1 242 . 1 1 20 20 GLU N N 15 120.622 0.2 . 1 . . . . 20 GLU N . 10027 1 243 . 1 1 21 21 PHE H H 1 8.408 0.02 . 1 . . . . 21 PHE H . 10027 1 244 . 1 1 21 21 PHE HA H 1 3.789 0.02 . 1 . . . . 21 PHE HA . 10027 1 245 . 1 1 21 21 PHE HB2 H 1 3.091 0.02 . 1 . . . . 21 PHE HB2 . 10027 1 246 . 1 1 21 21 PHE HB3 H 1 2.913 0.02 . 1 . . . . 21 PHE HB3 . 10027 1 247 . 1 1 21 21 PHE HD1 H 1 6.907 0.02 . 3 . . . . 21 PHE HD1 . 10027 1 248 . 1 1 21 21 PHE HD2 H 1 6.907 0.02 . 3 . . . . 21 PHE HD2 . 10027 1 249 . 1 1 21 21 PHE HE1 H 1 7.161 0.02 . 3 . . . . 21 PHE HE1 . 10027 1 250 . 1 1 21 21 PHE HE2 H 1 7.161 0.02 . 3 . . . . 21 PHE HE2 . 10027 1 251 . 1 1 21 21 PHE C C 13 177.97 0.1 . 1 . . . . 21 PHE C . 10027 1 252 . 1 1 21 21 PHE CA C 13 62.511 0.1 . 1 . . . . 21 PHE CA . 10027 1 253 . 1 1 21 21 PHE CB C 13 40.181 0.1 . 1 . . . . 21 PHE CB . 10027 1 254 . 1 1 21 21 PHE CD1 C 13 131.211 0.1 . 3 . . . . 21 PHE CD1 . 10027 1 255 . 1 1 21 21 PHE CD2 C 13 131.211 0.1 . 3 . . . . 21 PHE CD2 . 10027 1 256 . 1 1 21 21 PHE CE1 C 13 130.661 0.1 . 3 . . . . 21 PHE CE1 . 10027 1 257 . 1 1 21 21 PHE CE2 C 13 130.661 0.1 . 3 . . . . 21 PHE CE2 . 10027 1 258 . 1 1 21 21 PHE N N 15 119.303 0.2 . 1 . . . . 21 PHE N . 10027 1 259 . 1 1 22 22 SER H H 1 8.425 0.02 . 1 . . . . 22 SER H . 10027 1 260 . 1 1 22 22 SER HA H 1 3.835 0.02 . 1 . . . . 22 SER HA . 10027 1 261 . 1 1 22 22 SER HB2 H 1 3.885 0.02 . 2 . . . . 22 SER HB2 . 10027 1 262 . 1 1 22 22 SER HB3 H 1 3.885 0.02 . 2 . . . . 22 SER HB3 . 10027 1 263 . 1 1 22 22 SER C C 13 174.81 0.1 . 1 . . . . 22 SER C . 10027 1 264 . 1 1 22 22 SER CA C 13 61.96 0.1 . 1 . . . . 22 SER CA . 10027 1 265 . 1 1 22 22 SER CB C 13 63.223 0.1 . 1 . . . . 22 SER CB . 10027 1 266 . 1 1 22 22 SER N N 15 113.426 0.2 . 1 . . . . 22 SER N . 10027 1 267 . 1 1 23 23 MET H H 1 7.434 0.02 . 1 . . . . 23 MET H . 10027 1 268 . 1 1 23 23 MET HA H 1 3.676 0.02 . 1 . . . . 23 MET HA . 10027 1 269 . 1 1 23 23 MET HB2 H 1 1.171 0.02 . 1 . . . . 23 MET HB2 . 10027 1 270 . 1 1 23 23 MET HB3 H 1 0.474 0.02 . 1 . . . . 23 MET HB3 . 10027 1 271 . 1 1 23 23 MET HG2 H 1 1.25 0.02 . 1 . . . . 23 MET HG2 . 10027 1 272 . 1 1 23 23 MET HG3 H 1 1.623 0.02 . 1 . . . . 23 MET HG3 . 10027 1 273 . 1 1 23 23 MET HE1 H 1 1.58 0.02 . 1 . . . . 23 MET HE . 10027 1 274 . 1 1 23 23 MET HE2 H 1 1.58 0.02 . 1 . . . . 23 MET HE . 10027 1 275 . 1 1 23 23 MET HE3 H 1 1.58 0.02 . 1 . . . . 23 MET HE . 10027 1 276 . 1 1 23 23 MET C C 13 176.389 0.1 . 1 . . . . 23 MET C . 10027 1 277 . 1 1 23 23 MET CA C 13 57.884 0.1 . 1 . . . . 23 MET CA . 10027 1 278 . 1 1 23 23 MET CB C 13 32.581 0.1 . 1 . . . . 23 MET CB . 10027 1 279 . 1 1 23 23 MET CG C 13 31.169 0.1 . 1 . . . . 23 MET CG . 10027 1 280 . 1 1 23 23 MET CE C 13 16.334 0.1 . 1 . . . . 23 MET CE . 10027 1 281 . 1 1 23 23 MET N N 15 117.274 0.2 . 1 . . . . 23 MET N . 10027 1 282 . 1 1 24 24 TRP H H 1 7.27 0.02 . 1 . . . . 24 TRP H . 10027 1 283 . 1 1 24 24 TRP HA H 1 5.082 0.02 . 1 . . . . 24 TRP HA . 10027 1 284 . 1 1 24 24 TRP HB2 H 1 3.446 0.02 . 1 . . . . 24 TRP HB2 . 10027 1 285 . 1 1 24 24 TRP HB3 H 1 3.045 0.02 . 1 . . . . 24 TRP HB3 . 10027 1 286 . 1 1 24 24 TRP HD1 H 1 7.577 0.02 . 1 . . . . 24 TRP HD1 . 10027 1 287 . 1 1 24 24 TRP HE1 H 1 9.796 0.02 . 1 . . . . 24 TRP HE1 . 10027 1 288 . 1 1 24 24 TRP HE3 H 1 6.514 0.02 . 1 . . . . 24 TRP HE3 . 10027 1 289 . 1 1 24 24 TRP HZ2 H 1 6.277 0.02 . 1 . . . . 24 TRP HZ2 . 10027 1 290 . 1 1 24 24 TRP HZ3 H 1 7.461 0.02 . 1 . . . . 24 TRP HZ3 . 10027 1 291 . 1 1 24 24 TRP HH2 H 1 6.416 0.02 . 1 . . . . 24 TRP HH2 . 10027 1 292 . 1 1 24 24 TRP C C 13 173.925 0.1 . 1 . . . . 24 TRP C . 10027 1 293 . 1 1 24 24 TRP CA C 13 56.28 0.1 . 1 . . . . 24 TRP CA . 10027 1 294 . 1 1 24 24 TRP CB C 13 32.658 0.1 . 1 . . . . 24 TRP CB . 10027 1 295 . 1 1 24 24 TRP CD1 C 13 120.868 0.1 . 1 . . . . 24 TRP CD1 . 10027 1 296 . 1 1 24 24 TRP CE3 C 13 119.776 0.1 . 1 . . . . 24 TRP CE3 . 10027 1 297 . 1 1 24 24 TRP CZ2 C 13 114.056 0.1 . 1 . . . . 24 TRP CZ2 . 10027 1 298 . 1 1 24 24 TRP CZ3 C 13 120.645 0.1 . 1 . . . . 24 TRP CZ3 . 10027 1 299 . 1 1 24 24 TRP CH2 C 13 123.62 0.1 . 1 . . . . 24 TRP CH2 . 10027 1 300 . 1 1 24 24 TRP N N 15 112.109 0.2 . 1 . . . . 24 TRP N . 10027 1 301 . 1 1 24 24 TRP NE1 N 15 128.502 0.2 . 1 . . . . 24 TRP NE1 . 10027 1 302 . 1 1 25 25 ILE H H 1 6.86 0.02 . 1 . . . . 25 ILE H . 10027 1 303 . 1 1 25 25 ILE HA H 1 4.341 0.02 . 1 . . . . 25 ILE HA . 10027 1 304 . 1 1 25 25 ILE HB H 1 1.509 0.02 . 1 . . . . 25 ILE HB . 10027 1 305 . 1 1 25 25 ILE HG12 H 1 1.509 0.02 . 1 . . . . 25 ILE HG12 . 10027 1 306 . 1 1 25 25 ILE HG13 H 1 0.946 0.02 . 1 . . . . 25 ILE HG13 . 10027 1 307 . 1 1 25 25 ILE HG21 H 1 0.628 0.02 . 1 . . . . 25 ILE HG2 . 10027 1 308 . 1 1 25 25 ILE HG22 H 1 0.628 0.02 . 1 . . . . 25 ILE HG2 . 10027 1 309 . 1 1 25 25 ILE HG23 H 1 0.628 0.02 . 1 . . . . 25 ILE HG2 . 10027 1 310 . 1 1 25 25 ILE HD11 H 1 0.528 0.02 . 1 . . . . 25 ILE HD1 . 10027 1 311 . 1 1 25 25 ILE HD12 H 1 0.528 0.02 . 1 . . . . 25 ILE HD1 . 10027 1 312 . 1 1 25 25 ILE HD13 H 1 0.528 0.02 . 1 . . . . 25 ILE HD1 . 10027 1 313 . 1 1 25 25 ILE C C 13 177.6 0.1 . 1 . . . . 25 ILE C . 10027 1 314 . 1 1 25 25 ILE CA C 13 58.744 0.1 . 1 . . . . 25 ILE CA . 10027 1 315 . 1 1 25 25 ILE CB C 13 35.541 0.1 . 1 . . . . 25 ILE CB . 10027 1 316 . 1 1 25 25 ILE CG1 C 13 26.549 0.1 . 1 . . . . 25 ILE CG1 . 10027 1 317 . 1 1 25 25 ILE CG2 C 13 19.587 0.1 . 1 . . . . 25 ILE CG2 . 10027 1 318 . 1 1 25 25 ILE CD1 C 13 7.808 0.1 . 1 . . . . 25 ILE CD1 . 10027 1 319 . 1 1 25 25 ILE N N 15 112.125 0.2 . 1 . . . . 25 ILE N . 10027 1 320 . 1 1 26 26 ARG H H 1 7.712 0.02 . 1 . . . . 26 ARG H . 10027 1 321 . 1 1 26 26 ARG HA H 1 3.777 0.02 . 1 . . . . 26 ARG HA . 10027 1 322 . 1 1 26 26 ARG HB2 H 1 1.498 0.02 . 2 . . . . 26 ARG HB2 . 10027 1 323 . 1 1 26 26 ARG HB3 H 1 1.498 0.02 . 2 . . . . 26 ARG HB3 . 10027 1 324 . 1 1 26 26 ARG HG2 H 1 1.832 0.02 . 2 . . . . 26 ARG HG2 . 10027 1 325 . 1 1 26 26 ARG HG3 H 1 1.832 0.02 . 2 . . . . 26 ARG HG3 . 10027 1 326 . 1 1 26 26 ARG HD2 H 1 3.236 0.02 . 2 . . . . 26 ARG HD2 . 10027 1 327 . 1 1 26 26 ARG HD3 H 1 3.236 0.02 . 2 . . . . 26 ARG HD3 . 10027 1 328 . 1 1 26 26 ARG HE H 1 7.501 0.02 . 1 . . . . 26 ARG HE . 10027 1 329 . 1 1 26 26 ARG C C 13 174.036 0.1 . 1 . . . . 26 ARG C . 10027 1 330 . 1 1 26 26 ARG CA C 13 60.183 0.1 . 1 . . . . 26 ARG CA . 10027 1 331 . 1 1 26 26 ARG CB C 13 28.928 0.1 . 1 . . . . 26 ARG CB . 10027 1 332 . 1 1 26 26 ARG CG C 13 26.587 0.1 . 1 . . . . 26 ARG CG . 10027 1 333 . 1 1 26 26 ARG CD C 13 42.352 0.1 . 1 . . . . 26 ARG CD . 10027 1 334 . 1 1 26 26 ARG N N 15 121.927 0.2 . 1 . . . . 26 ARG N . 10027 1 335 . 1 1 26 26 ARG NE N 15 119.386 0.2 . 1 . . . . 26 ARG NE . 10027 1 336 . 1 1 27 27 PRO HA H 1 4.43 0.02 . 1 . . . . 27 PRO HA . 10027 1 337 . 1 1 27 27 PRO HB2 H 1 2.355 0.02 . 1 . . . . 27 PRO HB2 . 10027 1 338 . 1 1 27 27 PRO HB3 H 1 1.434 0.02 . 1 . . . . 27 PRO HB3 . 10027 1 339 . 1 1 27 27 PRO HG2 H 1 1.76 0.02 . 2 . . . . 27 PRO HG2 . 10027 1 340 . 1 1 27 27 PRO HG3 H 1 1.76 0.02 . 2 . . . . 27 PRO HG3 . 10027 1 341 . 1 1 27 27 PRO HD2 H 1 3.427 0.02 . 1 . . . . 27 PRO HD2 . 10027 1 342 . 1 1 27 27 PRO HD3 H 1 2.897 0.02 . 1 . . . . 27 PRO HD3 . 10027 1 343 . 1 1 27 27 PRO C C 13 177.002 0.1 . 1 . . . . 27 PRO C . 10027 1 344 . 1 1 27 27 PRO CA C 13 64.454 0.1 . 1 . . . . 27 PRO CA . 10027 1 345 . 1 1 27 27 PRO CB C 13 32.567 0.1 . 1 . . . . 27 PRO CB . 10027 1 346 . 1 1 27 27 PRO CG C 13 27.526 0.1 . 1 . . . . 27 PRO CG . 10027 1 347 . 1 1 27 27 PRO CD C 13 50.105 0.1 . 1 . . . . 27 PRO CD . 10027 1 348 . 1 1 28 28 LEU H H 1 7.436 0.02 . 1 . . . . 28 LEU H . 10027 1 349 . 1 1 28 28 LEU HA H 1 4.531 0.02 . 1 . . . . 28 LEU HA . 10027 1 350 . 1 1 28 28 LEU HB2 H 1 2.214 0.02 . 1 . . . . 28 LEU HB2 . 10027 1 351 . 1 1 28 28 LEU HG H 1 1.163 0.02 . 1 . . . . 28 LEU HG . 10027 1 352 . 1 1 28 28 LEU HD11 H 1 0.901 0.02 . 2 . . . . 28 LEU HD1 . 10027 1 353 . 1 1 28 28 LEU HD12 H 1 0.901 0.02 . 2 . . . . 28 LEU HD1 . 10027 1 354 . 1 1 28 28 LEU HD13 H 1 0.901 0.02 . 2 . . . . 28 LEU HD1 . 10027 1 355 . 1 1 28 28 LEU HD21 H 1 0.956 0.02 . 2 . . . . 28 LEU HD2 . 10027 1 356 . 1 1 28 28 LEU HD22 H 1 0.956 0.02 . 2 . . . . 28 LEU HD2 . 10027 1 357 . 1 1 28 28 LEU HD23 H 1 0.956 0.02 . 2 . . . . 28 LEU HD2 . 10027 1 358 . 1 1 28 28 LEU C C 13 177.726 0.1 . 1 . . . . 28 LEU C . 10027 1 359 . 1 1 28 28 LEU CA C 13 55.325 0.1 . 1 . . . . 28 LEU CA . 10027 1 360 . 1 1 28 28 LEU CB C 13 41.542 0.1 . 1 . . . . 28 LEU CB . 10027 1 361 . 1 1 28 28 LEU CG C 13 26.379 0.1 . 1 . . . . 28 LEU CG . 10027 1 362 . 1 1 28 28 LEU CD1 C 13 22.217 0.1 . 1 . . . . 28 LEU CD1 . 10027 1 363 . 1 1 28 28 LEU CD2 C 13 22.493 0.1 . 1 . . . . 28 LEU CD2 . 10027 1 364 . 1 1 28 28 LEU N N 15 114.735 0.2 . 1 . . . . 28 LEU N . 10027 1 365 . 1 1 29 29 GLN H H 1 8.464 0.02 . 1 . . . . 29 GLN H . 10027 1 366 . 1 1 29 29 GLN HA H 1 4.691 0.02 . 1 . . . . 29 GLN HA . 10027 1 367 . 1 1 29 29 GLN HB2 H 1 2.368 0.02 . 1 . . . . 29 GLN HB2 . 10027 1 368 . 1 1 29 29 GLN HB3 H 1 1.897 0.02 . 1 . . . . 29 GLN HB3 . 10027 1 369 . 1 1 29 29 GLN HG2 H 1 1.776 0.02 . 1 . . . . 29 GLN HG2 . 10027 1 370 . 1 1 29 29 GLN HE21 H 1 6.464 0.02 . 1 . . . . 29 GLN HE21 . 10027 1 371 . 1 1 29 29 GLN HE22 H 1 7.065 0.02 . 1 . . . . 29 GLN HE22 . 10027 1 372 . 1 1 29 29 GLN C C 13 173.939 0.1 . 1 . . . . 29 GLN C . 10027 1 373 . 1 1 29 29 GLN CA C 13 54.144 0.1 . 1 . . . . 29 GLN CA . 10027 1 374 . 1 1 29 29 GLN CB C 13 29.337 0.1 . 1 . . . . 29 GLN CB . 10027 1 375 . 1 1 29 29 GLN CG C 13 33.754 0.1 . 1 . . . . 29 GLN CG . 10027 1 376 . 1 1 29 29 GLN N N 15 120.945 0.2 . 1 . . . . 29 GLN N . 10027 1 377 . 1 1 29 29 GLN NE2 N 15 110.152 0.2 . 1 . . . . 29 GLN NE2 . 10027 1 378 . 1 1 30 30 ALA H H 1 8.429 0.02 . 1 . . . . 30 ALA H . 10027 1 379 . 1 1 30 30 ALA HA H 1 5.339 0.02 . 1 . . . . 30 ALA HA . 10027 1 380 . 1 1 30 30 ALA HB1 H 1 0.411 0.02 . 1 . . . . 30 ALA HB . 10027 1 381 . 1 1 30 30 ALA HB2 H 1 0.411 0.02 . 1 . . . . 30 ALA HB . 10027 1 382 . 1 1 30 30 ALA HB3 H 1 0.411 0.02 . 1 . . . . 30 ALA HB . 10027 1 383 . 1 1 30 30 ALA C C 13 177.182 0.1 . 1 . . . . 30 ALA C . 10027 1 384 . 1 1 30 30 ALA CA C 13 50.64 0.1 . 1 . . . . 30 ALA CA . 10027 1 385 . 1 1 30 30 ALA CB C 13 22.606 0.1 . 1 . . . . 30 ALA CB . 10027 1 386 . 1 1 30 30 ALA N N 15 124.749 0.2 . 1 . . . . 30 ALA N . 10027 1 387 . 1 1 31 31 GLU H H 1 9.036 0.02 . 1 . . . . 31 GLU H . 10027 1 388 . 1 1 31 31 GLU HA H 1 4.518 0.02 . 1 . . . . 31 GLU HA . 10027 1 389 . 1 1 31 31 GLU HB2 H 1 2.074 0.02 . 2 . . . . 31 GLU HB2 . 10027 1 390 . 1 1 31 31 GLU HB3 H 1 2.074 0.02 . 2 . . . . 31 GLU HB3 . 10027 1 391 . 1 1 31 31 GLU HG2 H 1 1.86 0.02 . 2 . . . . 31 GLU HG2 . 10027 1 392 . 1 1 31 31 GLU HG3 H 1 1.86 0.02 . 2 . . . . 31 GLU HG3 . 10027 1 393 . 1 1 31 31 GLU C C 13 173.746 0.1 . 1 . . . . 31 GLU C . 10027 1 394 . 1 1 31 31 GLU CA C 13 55.535 0.1 . 1 . . . . 31 GLU CA . 10027 1 395 . 1 1 31 31 GLU CB C 13 34.218 0.1 . 1 . . . . 31 GLU CB . 10027 1 396 . 1 1 31 31 GLU CG C 13 35.944 0.1 . 1 . . . . 31 GLU CG . 10027 1 397 . 1 1 31 31 GLU N N 15 122.189 0.2 . 1 . . . . 31 GLU N . 10027 1 398 . 1 1 32 32 LEU H H 1 8.816 0.02 . 1 . . . . 32 LEU H . 10027 1 399 . 1 1 32 32 LEU HA H 1 5.193 0.02 . 1 . . . . 32 LEU HA . 10027 1 400 . 1 1 32 32 LEU HB2 H 1 1.913 0.02 . 1 . . . . 32 LEU HB2 . 10027 1 401 . 1 1 32 32 LEU HB3 H 1 1.239 0.02 . 1 . . . . 32 LEU HB3 . 10027 1 402 . 1 1 32 32 LEU HG H 1 1.453 0.02 . 1 . . . . 32 LEU HG . 10027 1 403 . 1 1 32 32 LEU HD11 H 1 0.948 0.02 . 2 . . . . 32 LEU HD1 . 10027 1 404 . 1 1 32 32 LEU HD12 H 1 0.948 0.02 . 2 . . . . 32 LEU HD1 . 10027 1 405 . 1 1 32 32 LEU HD13 H 1 0.948 0.02 . 2 . . . . 32 LEU HD1 . 10027 1 406 . 1 1 32 32 LEU HD21 H 1 0.88 0.02 . 2 . . . . 32 LEU HD2 . 10027 1 407 . 1 1 32 32 LEU HD22 H 1 0.88 0.02 . 2 . . . . 32 LEU HD2 . 10027 1 408 . 1 1 32 32 LEU HD23 H 1 0.88 0.02 . 2 . . . . 32 LEU HD2 . 10027 1 409 . 1 1 32 32 LEU C C 13 175.632 0.1 . 1 . . . . 32 LEU C . 10027 1 410 . 1 1 32 32 LEU CA C 13 53.935 0.1 . 1 . . . . 32 LEU CA . 10027 1 411 . 1 1 32 32 LEU CB C 13 43.828 0.1 . 1 . . . . 32 LEU CB . 10027 1 412 . 1 1 32 32 LEU CG C 13 27.194 0.1 . 1 . . . . 32 LEU CG . 10027 1 413 . 1 1 32 32 LEU CD1 C 13 26.175 0.1 . 1 . . . . 32 LEU CD1 . 10027 1 414 . 1 1 32 32 LEU CD2 C 13 23.261 0.1 . 1 . . . . 32 LEU CD2 . 10027 1 415 . 1 1 32 32 LEU N N 15 130.513 0.2 . 1 . . . . 32 LEU N . 10027 1 416 . 1 1 33 33 SER H H 1 8.665 0.02 . 1 . . . . 33 SER H . 10027 1 417 . 1 1 33 33 SER HA H 1 4.555 0.02 . 1 . . . . 33 SER HA . 10027 1 418 . 1 1 33 33 SER HB2 H 1 3.749 0.02 . 2 . . . . 33 SER HB2 . 10027 1 419 . 1 1 33 33 SER HB3 H 1 3.749 0.02 . 2 . . . . 33 SER HB3 . 10027 1 420 . 1 1 33 33 SER C C 13 173.929 0.1 . 1 . . . . 33 SER C . 10027 1 421 . 1 1 33 33 SER CA C 13 57.244 0.1 . 1 . . . . 33 SER CA . 10027 1 422 . 1 1 33 33 SER CB C 13 64.27 0.1 . 1 . . . . 33 SER CB . 10027 1 423 . 1 1 33 33 SER N N 15 121.665 0.2 . 1 . . . . 33 SER N . 10027 1 424 . 1 1 34 34 ASP H H 1 9.089 0.02 . 1 . . . . 34 ASP H . 10027 1 425 . 1 1 34 34 ASP HA H 1 4.172 0.02 . 1 . . . . 34 ASP HA . 10027 1 426 . 1 1 34 34 ASP HB2 H 1 2.776 0.02 . 1 . . . . 34 ASP HB2 . 10027 1 427 . 1 1 34 34 ASP HB3 H 1 2.589 0.02 . 1 . . . . 34 ASP HB3 . 10027 1 428 . 1 1 34 34 ASP C C 13 175.618 0.1 . 1 . . . . 34 ASP C . 10027 1 429 . 1 1 34 34 ASP CA C 13 56.399 0.1 . 1 . . . . 34 ASP CA . 10027 1 430 . 1 1 34 34 ASP CB C 13 39.823 0.1 . 1 . . . . 34 ASP CB . 10027 1 431 . 1 1 34 34 ASP N N 15 124.465 0.2 . 1 . . . . 34 ASP N . 10027 1 432 . 1 1 35 35 ASN H H 1 8.696 0.02 . 1 . . . . 35 ASN H . 10027 1 433 . 1 1 35 35 ASN HA H 1 4.513 0.02 . 1 . . . . 35 ASN HA . 10027 1 434 . 1 1 35 35 ASN HB2 H 1 3.011 0.02 . 1 . . . . 35 ASN HB2 . 10027 1 435 . 1 1 35 35 ASN HB3 H 1 2.65 0.02 . 1 . . . . 35 ASN HB3 . 10027 1 436 . 1 1 35 35 ASN HD21 H 1 7.468 0.02 . 1 . . . . 35 ASN HD21 . 10027 1 437 . 1 1 35 35 ASN HD22 H 1 6.724 0.02 . 1 . . . . 35 ASN HD22 . 10027 1 438 . 1 1 35 35 ASN C C 13 174.194 0.1 . 1 . . . . 35 ASN C . 10027 1 439 . 1 1 35 35 ASN CA C 13 53.949 0.1 . 1 . . . . 35 ASN CA . 10027 1 440 . 1 1 35 35 ASN CB C 13 38.919 0.1 . 1 . . . . 35 ASN CB . 10027 1 441 . 1 1 35 35 ASN N N 15 115.923 0.2 . 1 . . . . 35 ASN N . 10027 1 442 . 1 1 35 35 ASN ND2 N 15 112.114 0.2 . 1 . . . . 35 ASN ND2 . 10027 1 443 . 1 1 36 36 THR H H 1 7.959 0.02 . 1 . . . . 36 THR H . 10027 1 444 . 1 1 36 36 THR HA H 1 4.728 0.02 . 1 . . . . 36 THR HA . 10027 1 445 . 1 1 36 36 THR HB H 1 3.998 0.02 . 1 . . . . 36 THR HB . 10027 1 446 . 1 1 36 36 THR HG21 H 1 0.872 0.02 . 1 . . . . 36 THR HG2 . 10027 1 447 . 1 1 36 36 THR HG22 H 1 0.872 0.02 . 1 . . . . 36 THR HG2 . 10027 1 448 . 1 1 36 36 THR HG23 H 1 0.872 0.02 . 1 . . . . 36 THR HG2 . 10027 1 449 . 1 1 36 36 THR C C 13 172.126 0.1 . 1 . . . . 36 THR C . 10027 1 450 . 1 1 36 36 THR CA C 13 62.137 0.1 . 1 . . . . 36 THR CA . 10027 1 451 . 1 1 36 36 THR CB C 13 71.474 0.1 . 1 . . . . 36 THR CB . 10027 1 452 . 1 1 36 36 THR CG2 C 13 20.86 0.1 . 1 . . . . 36 THR CG2 . 10027 1 453 . 1 1 36 36 THR N N 15 114.843 0.2 . 1 . . . . 36 THR N . 10027 1 454 . 1 1 37 37 LEU H H 1 9.122 0.02 . 1 . . . . 37 LEU H . 10027 1 455 . 1 1 37 37 LEU HA H 1 4.673 0.02 . 1 . . . . 37 LEU HA . 10027 1 456 . 1 1 37 37 LEU HB2 H 1 1.752 0.02 . 1 . . . . 37 LEU HB2 . 10027 1 457 . 1 1 37 37 LEU HG H 1 1.059 0.02 . 1 . . . . 37 LEU HG . 10027 1 458 . 1 1 37 37 LEU HD11 H 1 0.791 0.02 . 2 . . . . 37 LEU HD1 . 10027 1 459 . 1 1 37 37 LEU HD12 H 1 0.791 0.02 . 2 . . . . 37 LEU HD1 . 10027 1 460 . 1 1 37 37 LEU HD13 H 1 0.791 0.02 . 2 . . . . 37 LEU HD1 . 10027 1 461 . 1 1 37 37 LEU HD21 H 1 0.635 0.02 . 2 . . . . 37 LEU HD2 . 10027 1 462 . 1 1 37 37 LEU HD22 H 1 0.635 0.02 . 2 . . . . 37 LEU HD2 . 10027 1 463 . 1 1 37 37 LEU HD23 H 1 0.635 0.02 . 2 . . . . 37 LEU HD2 . 10027 1 464 . 1 1 37 37 LEU C C 13 172.14 0.1 . 1 . . . . 37 LEU C . 10027 1 465 . 1 1 37 37 LEU CA C 13 53.68 0.1 . 1 . . . . 37 LEU CA . 10027 1 466 . 1 1 37 37 LEU CB C 13 42.749 0.1 . 1 . . . . 37 LEU CB . 10027 1 467 . 1 1 37 37 LEU CG C 13 27.116 0.1 . 1 . . . . 37 LEU CG . 10027 1 468 . 1 1 37 37 LEU CD1 C 13 26.12 0.1 . 1 . . . . 37 LEU CD1 . 10027 1 469 . 1 1 37 37 LEU CD2 C 13 25.008 0.1 . 1 . . . . 37 LEU CD2 . 10027 1 470 . 1 1 37 37 LEU N N 15 130.659 0.2 . 1 . . . . 37 LEU N . 10027 1 471 . 1 1 38 38 ALA H H 1 8.696 0.02 . 1 . . . . 38 ALA H . 10027 1 472 . 1 1 38 38 ALA HA H 1 4.671 0.02 . 1 . . . . 38 ALA HA . 10027 1 473 . 1 1 38 38 ALA HB1 H 1 0.958 0.02 . 9 . . . . 38 ALA HB . 10027 1 474 . 1 1 38 38 ALA HB2 H 1 0.958 0.02 . 9 . . . . 38 ALA HB . 10027 1 475 . 1 1 38 38 ALA HB3 H 1 0.958 0.02 . 9 . . . . 38 ALA HB . 10027 1 476 . 1 1 38 38 ALA C C 13 174.872 0.1 . 1 . . . . 38 ALA C . 10027 1 477 . 1 1 38 38 ALA CA C 13 49.838 0.1 . 1 . . . . 38 ALA CA . 10027 1 478 . 1 1 38 38 ALA CB C 13 20.276 0.1 . 1 . . . . 38 ALA CB . 10027 1 479 . 1 1 38 38 ALA N N 15 130.079 0.2 . 1 . . . . 38 ALA N . 10027 1 480 . 1 1 39 39 LEU H H 1 8.244 0.02 . 1 . . . . 39 LEU H . 10027 1 481 . 1 1 39 39 LEU HA H 1 4.611 0.02 . 1 . . . . 39 LEU HA . 10027 1 482 . 1 1 39 39 LEU HB2 H 1 1.19 0.02 . 1 . . . . 39 LEU HB2 . 10027 1 483 . 1 1 39 39 LEU HB3 H 1 0.743 0.02 . 1 . . . . 39 LEU HB3 . 10027 1 484 . 1 1 39 39 LEU HG H 1 0.949 0.02 . 1 . . . . 39 LEU HG . 10027 1 485 . 1 1 39 39 LEU HD11 H 1 0.226 0.02 . 2 . . . . 39 LEU HD1 . 10027 1 486 . 1 1 39 39 LEU HD12 H 1 0.226 0.02 . 2 . . . . 39 LEU HD1 . 10027 1 487 . 1 1 39 39 LEU HD13 H 1 0.226 0.02 . 2 . . . . 39 LEU HD1 . 10027 1 488 . 1 1 39 39 LEU HD21 H 1 -0.364 0.02 . 2 . . . . 39 LEU HD2 . 10027 1 489 . 1 1 39 39 LEU HD22 H 1 -0.364 0.02 . 2 . . . . 39 LEU HD2 . 10027 1 490 . 1 1 39 39 LEU HD23 H 1 -0.364 0.02 . 2 . . . . 39 LEU HD2 . 10027 1 491 . 1 1 39 39 LEU C C 13 174.905 0.1 . 1 . . . . 39 LEU C . 10027 1 492 . 1 1 39 39 LEU CA C 13 52.51 0.1 . 1 . . . . 39 LEU CA . 10027 1 493 . 1 1 39 39 LEU CB C 13 43.789 0.1 . 1 . . . . 39 LEU CB . 10027 1 494 . 1 1 39 39 LEU CG C 13 26.114 0.1 . 1 . . . . 39 LEU CG . 10027 1 495 . 1 1 39 39 LEU CD1 C 13 25.433 0.1 . 1 . . . . 39 LEU CD1 . 10027 1 496 . 1 1 39 39 LEU CD2 C 13 22.363 0.1 . 1 . . . . 39 LEU CD2 . 10027 1 497 . 1 1 39 39 LEU N N 15 122.483 0.2 . 1 . . . . 39 LEU N . 10027 1 498 . 1 1 40 40 TYR H H 1 9.111 0.02 . 1 . . . . 40 TYR H . 10027 1 499 . 1 1 40 40 TYR HA H 1 5.059 0.02 . 1 . . . . 40 TYR HA . 10027 1 500 . 1 1 40 40 TYR HB2 H 1 2.702 0.02 . 1 . . . . 40 TYR HB2 . 10027 1 501 . 1 1 40 40 TYR HB3 H 1 2.677 0.02 . 1 . . . . 40 TYR HB3 . 10027 1 502 . 1 1 40 40 TYR HD1 H 1 6.69 0.02 . 3 . . . . 40 TYR HD1 . 10027 1 503 . 1 1 40 40 TYR HD2 H 1 6.69 0.02 . 3 . . . . 40 TYR HD2 . 10027 1 504 . 1 1 40 40 TYR HE1 H 1 6.463 0.02 . 3 . . . . 40 TYR HE1 . 10027 1 505 . 1 1 40 40 TYR HE2 H 1 6.463 0.02 . 3 . . . . 40 TYR HE2 . 10027 1 506 . 1 1 40 40 TYR C C 13 176.284 0.1 . 1 . . . . 40 TYR C . 10027 1 507 . 1 1 40 40 TYR CA C 13 56.202 0.1 . 1 . . . . 40 TYR CA . 10027 1 508 . 1 1 40 40 TYR CB C 13 39.115 0.1 . 1 . . . . 40 TYR CB . 10027 1 509 . 1 1 40 40 TYR CD1 C 13 132.903 0.1 . 3 . . . . 40 TYR CD1 . 10027 1 510 . 1 1 40 40 TYR CD2 C 13 132.903 0.1 . 3 . . . . 40 TYR CD2 . 10027 1 511 . 1 1 40 40 TYR CE1 C 13 117.876 0.1 . 3 . . . . 40 TYR CE1 . 10027 1 512 . 1 1 40 40 TYR CE2 C 13 117.876 0.1 . 3 . . . . 40 TYR CE2 . 10027 1 513 . 1 1 40 40 TYR N N 15 120.516 0.2 . 1 . . . . 40 TYR N . 10027 1 514 . 1 1 41 41 ALA H H 1 9.025 0.02 . 1 . . . . 41 ALA H . 10027 1 515 . 1 1 41 41 ALA HA H 1 4.933 0.02 . 1 . . . . 41 ALA HA . 10027 1 516 . 1 1 41 41 ALA HB1 H 1 1.382 0.02 . 1 . . . . 41 ALA HB . 10027 1 517 . 1 1 41 41 ALA HB2 H 1 1.382 0.02 . 1 . . . . 41 ALA HB . 10027 1 518 . 1 1 41 41 ALA HB3 H 1 1.382 0.02 . 1 . . . . 41 ALA HB . 10027 1 519 . 1 1 41 41 ALA CA C 13 48.047 0.1 . 1 . . . . 41 ALA CA . 10027 1 520 . 1 1 41 41 ALA CB C 13 21.292 0.1 . 1 . . . . 41 ALA CB . 10027 1 521 . 1 1 41 41 ALA N N 15 125.511 0.2 . 1 . . . . 41 ALA N . 10027 1 522 . 1 1 42 42 PRO HA H 1 4.419 0.02 . 1 . . . . 42 PRO HA . 10027 1 523 . 1 1 42 42 PRO HB2 H 1 2.217 0.02 . 1 . . . . 42 PRO HB2 . 10027 1 524 . 1 1 42 42 PRO HB3 H 1 1.877 0.02 . 1 . . . . 42 PRO HB3 . 10027 1 525 . 1 1 42 42 PRO HG2 H 1 2.009 0.02 . 2 . . . . 42 PRO HG2 . 10027 1 526 . 1 1 42 42 PRO HG3 H 1 2.009 0.02 . 2 . . . . 42 PRO HG3 . 10027 1 527 . 1 1 42 42 PRO HD2 H 1 3.742 0.02 . 2 . . . . 42 PRO HD2 . 10027 1 528 . 1 1 42 42 PRO HD3 H 1 3.742 0.02 . 2 . . . . 42 PRO HD3 . 10027 1 529 . 1 1 42 42 PRO C C 13 176.096 0.1 . 1 . . . . 42 PRO C . 10027 1 530 . 1 1 42 42 PRO CA C 13 64.207 0.1 . 1 . . . . 42 PRO CA . 10027 1 531 . 1 1 42 42 PRO CB C 13 32.086 0.1 . 1 . . . . 42 PRO CB . 10027 1 532 . 1 1 42 42 PRO CG C 13 27.513 0.1 . 1 . . . . 42 PRO CG . 10027 1 533 . 1 1 42 42 PRO CD C 13 50.003 0.1 . 1 . . . . 42 PRO CD . 10027 1 534 . 1 1 43 43 ASN H H 1 7.065 0.02 . 1 . . . . 43 ASN H . 10027 1 535 . 1 1 43 43 ASN HA H 1 4.565 0.02 . 1 . . . . 43 ASN HA . 10027 1 536 . 1 1 43 43 ASN HB2 H 1 3.097 0.02 . 1 . . . . 43 ASN HB2 . 10027 1 537 . 1 1 43 43 ASN HB3 H 1 2.977 0.02 . 1 . . . . 43 ASN HB3 . 10027 1 538 . 1 1 43 43 ASN HD21 H 1 7.022 0.02 . 1 . . . . 43 ASN HD21 . 10027 1 539 . 1 1 43 43 ASN HD22 H 1 7.69 0.02 . 1 . . . . 43 ASN HD22 . 10027 1 540 . 1 1 43 43 ASN C C 13 174.628 0.1 . 1 . . . . 43 ASN C . 10027 1 541 . 1 1 43 43 ASN CA C 13 52.475 0.1 . 1 . . . . 43 ASN CA . 10027 1 542 . 1 1 43 43 ASN CB C 13 40.49 0.1 . 1 . . . . 43 ASN CB . 10027 1 543 . 1 1 43 43 ASN N N 15 107.523 0.2 . 1 . . . . 43 ASN N . 10027 1 544 . 1 1 43 43 ASN ND2 N 15 114.829 0.2 . 1 . . . . 43 ASN ND2 . 10027 1 545 . 1 1 44 44 ARG H H 1 8.955 0.02 . 1 . . . . 44 ARG H . 10027 1 546 . 1 1 44 44 ARG HA H 1 4.703 0.02 . 1 . . . . 44 ARG HA . 10027 1 547 . 1 1 44 44 ARG HB2 H 1 1.78 0.02 . 2 . . . . 44 ARG HB2 . 10027 1 548 . 1 1 44 44 ARG HB3 H 1 1.78 0.02 . 2 . . . . 44 ARG HB3 . 10027 1 549 . 1 1 44 44 ARG HG2 H 1 1.57 0.02 . 2 . . . . 44 ARG HG2 . 10027 1 550 . 1 1 44 44 ARG HG3 H 1 1.57 0.02 . 2 . . . . 44 ARG HG3 . 10027 1 551 . 1 1 44 44 ARG HD2 H 1 3.104 0.02 . 2 . . . . 44 ARG HD2 . 10027 1 552 . 1 1 44 44 ARG HD3 H 1 3.104 0.02 . 2 . . . . 44 ARG HD3 . 10027 1 553 . 1 1 44 44 ARG C C 13 175.791 0.1 . 1 . . . . 44 ARG C . 10027 1 554 . 1 1 44 44 ARG CA C 13 58.115 0.1 . 1 . . . . 44 ARG CA . 10027 1 555 . 1 1 44 44 ARG CB C 13 29.041 0.1 . 1 . . . . 44 ARG CB . 10027 1 556 . 1 1 44 44 ARG CG C 13 26.685 0.1 . 1 . . . . 44 ARG CG . 10027 1 557 . 1 1 44 44 ARG CD C 13 42.554 0.1 . 1 . . . . 44 ARG CD . 10027 1 558 . 1 1 44 44 ARG N N 15 119.351 0.2 . 1 . . . . 44 ARG N . 10027 1 559 . 1 1 45 45 PHE H H 1 8.005 0.02 . 1 . . . . 45 PHE H . 10027 1 560 . 1 1 45 45 PHE HA H 1 4.455 0.02 . 1 . . . . 45 PHE HA . 10027 1 561 . 1 1 45 45 PHE HB2 H 1 3.234 0.02 . 2 . . . . 45 PHE HB2 . 10027 1 562 . 1 1 45 45 PHE HB3 H 1 3.234 0.02 . 2 . . . . 45 PHE HB3 . 10027 1 563 . 1 1 45 45 PHE HD1 H 1 7.232 0.02 . 3 . . . . 45 PHE HD1 . 10027 1 564 . 1 1 45 45 PHE HD2 H 1 7.232 0.02 . 3 . . . . 45 PHE HD2 . 10027 1 565 . 1 1 45 45 PHE HE1 H 1 7.319 0.02 . 3 . . . . 45 PHE HE1 . 10027 1 566 . 1 1 45 45 PHE HE2 H 1 7.319 0.02 . 3 . . . . 45 PHE HE2 . 10027 1 567 . 1 1 45 45 PHE C C 13 178.961 0.1 . 1 . . . . 45 PHE C . 10027 1 568 . 1 1 45 45 PHE CA C 13 60.955 0.1 . 1 . . . . 45 PHE CA . 10027 1 569 . 1 1 45 45 PHE CB C 13 38.517 0.1 . 1 . . . . 45 PHE CB . 10027 1 570 . 1 1 45 45 PHE CD1 C 13 130.137 0.1 . 3 . . . . 45 PHE CD1 . 10027 1 571 . 1 1 45 45 PHE CD2 C 13 130.137 0.1 . 3 . . . . 45 PHE CD2 . 10027 1 572 . 1 1 45 45 PHE CE1 C 13 131.773 0.1 . 3 . . . . 45 PHE CE1 . 10027 1 573 . 1 1 45 45 PHE CE2 C 13 131.773 0.1 . 3 . . . . 45 PHE CE2 . 10027 1 574 . 1 1 45 45 PHE N N 15 121.024 0.2 . 1 . . . . 45 PHE N . 10027 1 575 . 1 1 46 46 VAL H H 1 8.358 0.02 . 1 . . . . 46 VAL H . 10027 1 576 . 1 1 46 46 VAL HA H 1 4.071 0.02 . 1 . . . . 46 VAL HA . 10027 1 577 . 1 1 46 46 VAL HB H 1 1.91 0.02 . 1 . . . . 46 VAL HB . 10027 1 578 . 1 1 46 46 VAL HG11 H 1 1.382 0.02 . 2 . . . . 46 VAL HG1 . 10027 1 579 . 1 1 46 46 VAL HG12 H 1 1.382 0.02 . 2 . . . . 46 VAL HG1 . 10027 1 580 . 1 1 46 46 VAL HG13 H 1 1.382 0.02 . 2 . . . . 46 VAL HG1 . 10027 1 581 . 1 1 46 46 VAL HG21 H 1 1.365 0.02 . 2 . . . . 46 VAL HG2 . 10027 1 582 . 1 1 46 46 VAL HG22 H 1 1.365 0.02 . 2 . . . . 46 VAL HG2 . 10027 1 583 . 1 1 46 46 VAL HG23 H 1 1.365 0.02 . 2 . . . . 46 VAL HG2 . 10027 1 584 . 1 1 46 46 VAL C C 13 176.798 0.1 . 1 . . . . 46 VAL C . 10027 1 585 . 1 1 46 46 VAL CA C 13 66.149 0.1 . 1 . . . . 46 VAL CA . 10027 1 586 . 1 1 46 46 VAL CB C 13 32.687 0.1 . 1 . . . . 46 VAL CB . 10027 1 587 . 1 1 46 46 VAL CG1 C 13 22.813 0.1 . 1 . . . . 46 VAL CG1 . 10027 1 588 . 1 1 46 46 VAL CG2 C 13 22.699 0.1 . 1 . . . . 46 VAL CG2 . 10027 1 589 . 1 1 46 46 VAL N N 15 118.824 0.2 . 1 . . . . 46 VAL N . 10027 1 590 . 1 1 47 47 LEU H H 1 7.233 0.02 . 1 . . . . 47 LEU H . 10027 1 591 . 1 1 47 47 LEU HA H 1 3.592 0.02 . 1 . . . . 47 LEU HA . 10027 1 592 . 1 1 47 47 LEU HB2 H 1 1.733 0.02 . 1 . . . . 47 LEU HB2 . 10027 1 593 . 1 1 47 47 LEU HB3 H 1 1.344 0.02 . 1 . . . . 47 LEU HB3 . 10027 1 594 . 1 1 47 47 LEU HG H 1 1.565 0.02 . 1 . . . . 47 LEU HG . 10027 1 595 . 1 1 47 47 LEU HD11 H 1 0.701 0.02 . 2 . . . . 47 LEU HD1 . 10027 1 596 . 1 1 47 47 LEU HD12 H 1 0.701 0.02 . 2 . . . . 47 LEU HD1 . 10027 1 597 . 1 1 47 47 LEU HD13 H 1 0.701 0.02 . 2 . . . . 47 LEU HD1 . 10027 1 598 . 1 1 47 47 LEU HD21 H 1 0.54 0.02 . 2 . . . . 47 LEU HD2 . 10027 1 599 . 1 1 47 47 LEU HD22 H 1 0.54 0.02 . 2 . . . . 47 LEU HD2 . 10027 1 600 . 1 1 47 47 LEU HD23 H 1 0.54 0.02 . 2 . . . . 47 LEU HD2 . 10027 1 601 . 1 1 47 47 LEU C C 13 177.565 0.1 . 1 . . . . 47 LEU C . 10027 1 602 . 1 1 47 47 LEU CA C 13 59.382 0.1 . 1 . . . . 47 LEU CA . 10027 1 603 . 1 1 47 47 LEU CB C 13 42.629 0.1 . 1 . . . . 47 LEU CB . 10027 1 604 . 1 1 47 47 LEU CG C 13 25.517 0.1 . 1 . . . . 47 LEU CG . 10027 1 605 . 1 1 47 47 LEU CD1 C 13 25.017 0.1 . 1 . . . . 47 LEU CD1 . 10027 1 606 . 1 1 47 47 LEU CD2 C 13 25.958 0.1 . 1 . . . . 47 LEU CD2 . 10027 1 607 . 1 1 47 47 LEU N N 15 118.727 0.2 . 1 . . . . 47 LEU N . 10027 1 608 . 1 1 48 48 ASP H H 1 8.541 0.02 . 1 . . . . 48 ASP H . 10027 1 609 . 1 1 48 48 ASP HA H 1 4.021 0.02 . 1 . . . . 48 ASP HA . 10027 1 610 . 1 1 48 48 ASP HB2 H 1 2.648 0.02 . 1 . . . . 48 ASP HB2 . 10027 1 611 . 1 1 48 48 ASP HB3 H 1 2.454 0.02 . 1 . . . . 48 ASP HB3 . 10027 1 612 . 1 1 48 48 ASP C C 13 178.024 0.1 . 1 . . . . 48 ASP C . 10027 1 613 . 1 1 48 48 ASP CA C 13 57.333 0.1 . 1 . . . . 48 ASP CA . 10027 1 614 . 1 1 48 48 ASP CB C 13 40.045 0.1 . 1 . . . . 48 ASP CB . 10027 1 615 . 1 1 48 48 ASP N N 15 117.361 0.2 . 1 . . . . 48 ASP N . 10027 1 616 . 1 1 49 49 TRP H H 1 7.647 0.02 . 1 . . . . 49 TRP H . 10027 1 617 . 1 1 49 49 TRP HA H 1 3.631 0.02 . 1 . . . . 49 TRP HA . 10027 1 618 . 1 1 49 49 TRP HB2 H 1 2.485 0.02 . 1 . . . . 49 TRP HB2 . 10027 1 619 . 1 1 49 49 TRP HD1 H 1 7.097 0.02 . 1 . . . . 49 TRP HD1 . 10027 1 620 . 1 1 49 49 TRP HE1 H 1 9.123 0.02 . 1 . . . . 49 TRP HE1 . 10027 1 621 . 1 1 49 49 TRP HE3 H 1 6.684 0.02 . 1 . . . . 49 TRP HE3 . 10027 1 622 . 1 1 49 49 TRP HZ2 H 1 7.252 0.02 . 1 . . . . 49 TRP HZ2 . 10027 1 623 . 1 1 49 49 TRP HZ3 H 1 7.408 0.02 . 1 . . . . 49 TRP HZ3 . 10027 1 624 . 1 1 49 49 TRP HH2 H 1 7.078 0.02 . 1 . . . . 49 TRP HH2 . 10027 1 625 . 1 1 49 49 TRP C C 13 177.887 0.1 . 1 . . . . 49 TRP C . 10027 1 626 . 1 1 49 49 TRP CA C 13 60.682 0.1 . 1 . . . . 49 TRP CA . 10027 1 627 . 1 1 49 49 TRP CB C 13 28.791 0.1 . 1 . . . . 49 TRP CB . 10027 1 628 . 1 1 49 49 TRP CD1 C 13 120.756 0.1 . 1 . . . . 49 TRP CD1 . 10027 1 629 . 1 1 49 49 TRP CE3 C 13 120.921 0.1 . 1 . . . . 49 TRP CE3 . 10027 1 630 . 1 1 49 49 TRP CZ2 C 13 113.825 0.1 . 1 . . . . 49 TRP CZ2 . 10027 1 631 . 1 1 49 49 TRP CZ3 C 13 120.122 0.1 . 1 . . . . 49 TRP CZ3 . 10027 1 632 . 1 1 49 49 TRP CH2 C 13 123.396 0.1 . 1 . . . . 49 TRP CH2 . 10027 1 633 . 1 1 49 49 TRP N N 15 120.619 0.2 . 1 . . . . 49 TRP N . 10027 1 634 . 1 1 49 49 TRP NE1 N 15 127.319 0.2 . 1 . . . . 49 TRP NE1 . 10027 1 635 . 1 1 50 50 VAL H H 1 8.445 0.02 . 1 . . . . 50 VAL H . 10027 1 636 . 1 1 50 50 VAL HA H 1 3.602 0.02 . 1 . . . . 50 VAL HA . 10027 1 637 . 1 1 50 50 VAL HB H 1 2.234 0.02 . 1 . . . . 50 VAL HB . 10027 1 638 . 1 1 50 50 VAL HG11 H 1 1.005 0.02 . 2 . . . . 50 VAL HG1 . 10027 1 639 . 1 1 50 50 VAL HG12 H 1 1.005 0.02 . 2 . . . . 50 VAL HG1 . 10027 1 640 . 1 1 50 50 VAL HG13 H 1 1.005 0.02 . 2 . . . . 50 VAL HG1 . 10027 1 641 . 1 1 50 50 VAL HG21 H 1 1.001 0.02 . 2 . . . . 50 VAL HG2 . 10027 1 642 . 1 1 50 50 VAL HG22 H 1 1.001 0.02 . 2 . . . . 50 VAL HG2 . 10027 1 643 . 1 1 50 50 VAL HG23 H 1 1.001 0.02 . 2 . . . . 50 VAL HG2 . 10027 1 644 . 1 1 50 50 VAL C C 13 178.365 0.1 . 1 . . . . 50 VAL C . 10027 1 645 . 1 1 50 50 VAL CA C 13 66.966 0.1 . 1 . . . . 50 VAL CA . 10027 1 646 . 1 1 50 50 VAL CB C 13 32.058 0.1 . 1 . . . . 50 VAL CB . 10027 1 647 . 1 1 50 50 VAL CG1 C 13 21.268 0.1 . 1 . . . . 50 VAL CG1 . 10027 1 648 . 1 1 50 50 VAL CG2 C 13 20.652 0.1 . 1 . . . . 50 VAL CG2 . 10027 1 649 . 1 1 50 50 VAL N N 15 117.036 0.2 . 1 . . . . 50 VAL N . 10027 1 650 . 1 1 51 51 ARG H H 1 8.295 0.02 . 1 . . . . 51 ARG H . 10027 1 651 . 1 1 51 51 ARG HA H 1 3.472 0.02 . 1 . . . . 51 ARG HA . 10027 1 652 . 1 1 51 51 ARG HB2 H 1 1.502 0.02 . 1 . . . . 51 ARG HB2 . 10027 1 653 . 1 1 51 51 ARG HB3 H 1 1.132 0.02 . 1 . . . . 51 ARG HB3 . 10027 1 654 . 1 1 51 51 ARG HG2 H 1 1.278 0.02 . 1 . . . . 51 ARG HG2 . 10027 1 655 . 1 1 51 51 ARG HD2 H 1 2.901 0.02 . 1 . . . . 51 ARG HD2 . 10027 1 656 . 1 1 51 51 ARG HD3 H 1 2.722 0.02 . 1 . . . . 51 ARG HD3 . 10027 1 657 . 1 1 51 51 ARG HE H 1 6.873 0.02 . 1 . . . . 51 ARG HE . 10027 1 658 . 1 1 51 51 ARG C C 13 177.101 0.1 . 1 . . . . 51 ARG C . 10027 1 659 . 1 1 51 51 ARG CA C 13 59.578 0.1 . 1 . . . . 51 ARG CA . 10027 1 660 . 1 1 51 51 ARG CB C 13 29.646 0.1 . 1 . . . . 51 ARG CB . 10027 1 661 . 1 1 51 51 ARG CG C 13 27.212 0.1 . 1 . . . . 51 ARG CG . 10027 1 662 . 1 1 51 51 ARG CD C 13 43.777 0.1 . 1 . . . . 51 ARG CD . 10027 1 663 . 1 1 51 51 ARG N N 15 118.752 0.2 . 1 . . . . 51 ARG N . 10027 1 664 . 1 1 51 51 ARG NE N 15 119.953 0.2 . 1 . . . . 51 ARG NE . 10027 1 665 . 1 1 52 52 ASP H H 1 7.593 0.02 . 1 . . . . 52 ASP H . 10027 1 666 . 1 1 52 52 ASP HA H 1 4.178 0.02 . 1 . . . . 52 ASP HA . 10027 1 667 . 1 1 52 52 ASP HB2 H 1 2.379 0.02 . 1 . . . . 52 ASP HB2 . 10027 1 668 . 1 1 52 52 ASP HB3 H 1 2.141 0.02 . 1 . . . . 52 ASP HB3 . 10027 1 669 . 1 1 52 52 ASP C C 13 177.673 0.1 . 1 . . . . 52 ASP C . 10027 1 670 . 1 1 52 52 ASP CA C 13 56.476 0.1 . 1 . . . . 52 ASP CA . 10027 1 671 . 1 1 52 52 ASP CB C 13 41.301 0.1 . 1 . . . . 52 ASP CB . 10027 1 672 . 1 1 52 52 ASP N N 15 116.444 0.2 . 1 . . . . 52 ASP N . 10027 1 673 . 1 1 53 53 LYS H H 1 7.961 0.02 . 1 . . . . 53 LYS H . 10027 1 674 . 1 1 53 53 LYS HA H 1 3.783 0.02 . 1 . . . . 53 LYS HA . 10027 1 675 . 1 1 53 53 LYS HB2 H 1 0.511 0.02 . 1 . . . . 53 LYS HB2 . 10027 1 676 . 1 1 53 53 LYS HB3 H 1 0.43 0.02 . 1 . . . . 53 LYS HB3 . 10027 1 677 . 1 1 53 53 LYS HG2 H 1 0.238 0.02 . 1 . . . . 53 LYS HG2 . 10027 1 678 . 1 1 53 53 LYS HG3 H 1 0.04 0.02 . 1 . . . . 53 LYS HG3 . 10027 1 679 . 1 1 53 53 LYS HD2 H 1 1.901 0.02 . 1 . . . . 53 LYS HD2 . 10027 1 680 . 1 1 53 53 LYS HD3 H 1 1.772 0.02 . 1 . . . . 53 LYS HD3 . 10027 1 681 . 1 1 53 53 LYS HZ1 H 1 2.251 0.02 . 1 . . . . 53 LYS HZ . 10027 1 682 . 1 1 53 53 LYS HZ2 H 1 2.251 0.02 . 1 . . . . 53 LYS HZ . 10027 1 683 . 1 1 53 53 LYS HZ3 H 1 2.251 0.02 . 1 . . . . 53 LYS HZ . 10027 1 684 . 1 1 53 53 LYS C C 13 178.851 0.1 . 1 . . . . 53 LYS C . 10027 1 685 . 1 1 53 53 LYS CA C 13 57.286 0.1 . 1 . . . . 53 LYS CA . 10027 1 686 . 1 1 53 53 LYS CB C 13 32.42 0.1 . 1 . . . . 53 LYS CB . 10027 1 687 . 1 1 53 53 LYS CG C 13 24.413 0.1 . 1 . . . . 53 LYS CG . 10027 1 688 . 1 1 53 53 LYS CD C 13 27.518 0.1 . 1 . . . . 53 LYS CD . 10027 1 689 . 1 1 53 53 LYS CE C 13 41.758 0.1 . 1 . . . . 53 LYS CE . 10027 1 690 . 1 1 53 53 LYS N N 15 114.884 0.2 . 1 . . . . 53 LYS N . 10027 1 691 . 1 1 54 54 TYR H H 1 8.12 0.02 . 1 . . . . 54 TYR H . 10027 1 692 . 1 1 54 54 TYR HA H 1 5.415 0.02 . 1 . . . . 54 TYR HA . 10027 1 693 . 1 1 54 54 TYR HB2 H 1 3.425 0.02 . 1 . . . . 54 TYR HB2 . 10027 1 694 . 1 1 54 54 TYR HB3 H 1 2.702 0.02 . 1 . . . . 54 TYR HB3 . 10027 1 695 . 1 1 54 54 TYR HD1 H 1 7.044 0.02 . 3 . . . . 54 TYR HD1 . 10027 1 696 . 1 1 54 54 TYR HD2 H 1 7.044 0.02 . 3 . . . . 54 TYR HD2 . 10027 1 697 . 1 1 54 54 TYR HE1 H 1 6.747 0.02 . 3 . . . . 54 TYR HE1 . 10027 1 698 . 1 1 54 54 TYR HE2 H 1 6.747 0.02 . 3 . . . . 54 TYR HE2 . 10027 1 699 . 1 1 54 54 TYR C C 13 176.172 0.1 . 1 . . . . 54 TYR C . 10027 1 700 . 1 1 54 54 TYR CA C 13 56.734 0.1 . 1 . . . . 54 TYR CA . 10027 1 701 . 1 1 54 54 TYR CB C 13 40.167 0.1 . 1 . . . . 54 TYR CB . 10027 1 702 . 1 1 54 54 TYR CD1 C 13 132.917 0.1 . 3 . . . . 54 TYR CD1 . 10027 1 703 . 1 1 54 54 TYR CD2 C 13 132.917 0.1 . 3 . . . . 54 TYR CD2 . 10027 1 704 . 1 1 54 54 TYR CE1 C 13 118.063 0.1 . 3 . . . . 54 TYR CE1 . 10027 1 705 . 1 1 54 54 TYR CE2 C 13 118.063 0.1 . 3 . . . . 54 TYR CE2 . 10027 1 706 . 1 1 54 54 TYR N N 15 114.209 0.2 . 1 . . . . 54 TYR N . 10027 1 707 . 1 1 55 55 LEU H H 1 7.261 0.02 . 1 . . . . 55 LEU H . 10027 1 708 . 1 1 55 55 LEU HA H 1 3.87 0.02 . 1 . . . . 55 LEU HA . 10027 1 709 . 1 1 55 55 LEU HB2 H 1 1.891 0.02 . 1 . . . . 55 LEU HB2 . 10027 1 710 . 1 1 55 55 LEU HB3 H 1 1.792 0.02 . 1 . . . . 55 LEU HB3 . 10027 1 711 . 1 1 55 55 LEU HG H 1 1.626 0.02 . 1 . . . . 55 LEU HG . 10027 1 712 . 1 1 55 55 LEU HD11 H 1 0.965 0.02 . 2 . . . . 55 LEU HD1 . 10027 1 713 . 1 1 55 55 LEU HD12 H 1 0.965 0.02 . 2 . . . . 55 LEU HD1 . 10027 1 714 . 1 1 55 55 LEU HD13 H 1 0.965 0.02 . 2 . . . . 55 LEU HD1 . 10027 1 715 . 1 1 55 55 LEU HD21 H 1 0.902 0.02 . 2 . . . . 55 LEU HD2 . 10027 1 716 . 1 1 55 55 LEU HD22 H 1 0.902 0.02 . 2 . . . . 55 LEU HD2 . 10027 1 717 . 1 1 55 55 LEU HD23 H 1 0.902 0.02 . 2 . . . . 55 LEU HD2 . 10027 1 718 . 1 1 55 55 LEU C C 13 178.268 0.1 . 1 . . . . 55 LEU C . 10027 1 719 . 1 1 55 55 LEU CA C 13 59.495 0.1 . 1 . . . . 55 LEU CA . 10027 1 720 . 1 1 55 55 LEU CB C 13 42.661 0.1 . 1 . . . . 55 LEU CB . 10027 1 721 . 1 1 55 55 LEU CG C 13 25.936 0.1 . 1 . . . . 55 LEU CG . 10027 1 722 . 1 1 55 55 LEU CD1 C 13 25.012 0.1 . 1 . . . . 55 LEU CD1 . 10027 1 723 . 1 1 55 55 LEU CD2 C 13 25.87 0.1 . 1 . . . . 55 LEU CD2 . 10027 1 724 . 1 1 55 55 LEU N N 15 123.796 0.2 . 1 . . . . 55 LEU N . 10027 1 725 . 1 1 56 56 ASN H H 1 8.675 0.02 . 1 . . . . 56 ASN H . 10027 1 726 . 1 1 56 56 ASN HA H 1 4.438 0.02 . 1 . . . . 56 ASN HA . 10027 1 727 . 1 1 56 56 ASN HB2 H 1 2.732 0.02 . 2 . . . . 56 ASN HB2 . 10027 1 728 . 1 1 56 56 ASN HB3 H 1 2.732 0.02 . 2 . . . . 56 ASN HB3 . 10027 1 729 . 1 1 56 56 ASN HD21 H 1 7.579 0.02 . 1 . . . . 56 ASN HD21 . 10027 1 730 . 1 1 56 56 ASN HD22 H 1 6.875 0.02 . 1 . . . . 56 ASN HD22 . 10027 1 731 . 1 1 56 56 ASN C C 13 178.456 0.1 . 1 . . . . 56 ASN C . 10027 1 732 . 1 1 56 56 ASN CA C 13 56.377 0.1 . 1 . . . . 56 ASN CA . 10027 1 733 . 1 1 56 56 ASN CB C 13 37.401 0.1 . 1 . . . . 56 ASN CB . 10027 1 734 . 1 1 56 56 ASN N N 15 115.376 0.2 . 1 . . . . 56 ASN N . 10027 1 735 . 1 1 56 56 ASN ND2 N 15 113.117 0.2 . 1 . . . . 56 ASN ND2 . 10027 1 736 . 1 1 57 57 ASN H H 1 7.986 0.02 . 1 . . . . 57 ASN H . 10027 1 737 . 1 1 57 57 ASN HA H 1 4.428 0.02 . 1 . . . . 57 ASN HA . 10027 1 738 . 1 1 57 57 ASN HB2 H 1 2.852 0.02 . 2 . . . . 57 ASN HB2 . 10027 1 739 . 1 1 57 57 ASN HB3 H 1 2.852 0.02 . 2 . . . . 57 ASN HB3 . 10027 1 740 . 1 1 57 57 ASN HD21 H 1 7.054 0.02 . 1 . . . . 57 ASN HD21 . 10027 1 741 . 1 1 57 57 ASN HD22 H 1 7.785 0.02 . 1 . . . . 57 ASN HD22 . 10027 1 742 . 1 1 57 57 ASN C C 13 177.879 0.1 . 1 . . . . 57 ASN C . 10027 1 743 . 1 1 57 57 ASN CA C 13 56.579 0.1 . 1 . . . . 57 ASN CA . 10027 1 744 . 1 1 57 57 ASN CB C 13 38.03 0.1 . 1 . . . . 57 ASN CB . 10027 1 745 . 1 1 57 57 ASN N N 15 119.174 0.2 . 1 . . . . 57 ASN N . 10027 1 746 . 1 1 57 57 ASN ND2 N 15 110.95 0.2 . 1 . . . . 57 ASN ND2 . 10027 1 747 . 1 1 58 58 ILE H H 1 8.362 0.02 . 1 . . . . 58 ILE H . 10027 1 748 . 1 1 58 58 ILE HA H 1 3.567 0.02 . 1 . . . . 58 ILE HA . 10027 1 749 . 1 1 58 58 ILE HB H 1 1.884 0.02 . 1 . . . . 58 ILE HB . 10027 1 750 . 1 1 58 58 ILE HG12 H 1 2.058 0.02 . 1 . . . . 58 ILE HG12 . 10027 1 751 . 1 1 58 58 ILE HG13 H 1 0.984 0.02 . 1 . . . . 58 ILE HG13 . 10027 1 752 . 1 1 58 58 ILE HG21 H 1 1.028 0.02 . 1 . . . . 58 ILE HG2 . 10027 1 753 . 1 1 58 58 ILE HG22 H 1 1.028 0.02 . 1 . . . . 58 ILE HG2 . 10027 1 754 . 1 1 58 58 ILE HG23 H 1 1.028 0.02 . 1 . . . . 58 ILE HG2 . 10027 1 755 . 1 1 58 58 ILE HD11 H 1 0.88 0.02 . 1 . . . . 58 ILE HD1 . 10027 1 756 . 1 1 58 58 ILE HD12 H 1 0.88 0.02 . 1 . . . . 58 ILE HD1 . 10027 1 757 . 1 1 58 58 ILE HD13 H 1 0.88 0.02 . 1 . . . . 58 ILE HD1 . 10027 1 758 . 1 1 58 58 ILE C C 13 177.283 0.1 . 1 . . . . 58 ILE C . 10027 1 759 . 1 1 58 58 ILE CA C 13 66.743 0.1 . 1 . . . . 58 ILE CA . 10027 1 760 . 1 1 58 58 ILE CB C 13 38.398 0.1 . 1 . . . . 58 ILE CB . 10027 1 761 . 1 1 58 58 ILE CG1 C 13 30.08 0.1 . 1 . . . . 58 ILE CG1 . 10027 1 762 . 1 1 58 58 ILE CG2 C 13 17.648 0.1 . 1 . . . . 58 ILE CG2 . 10027 1 763 . 1 1 58 58 ILE CD1 C 13 12.55 0.1 . 1 . . . . 58 ILE CD1 . 10027 1 764 . 1 1 58 58 ILE N N 15 119.278 0.2 . 1 . . . . 58 ILE N . 10027 1 765 . 1 1 59 59 ASN H H 1 8.833 0.02 . 1 . . . . 59 ASN H . 10027 1 766 . 1 1 59 59 ASN HA H 1 4.449 0.02 . 1 . . . . 59 ASN HA . 10027 1 767 . 1 1 59 59 ASN HB2 H 1 2.758 0.02 . 2 . . . . 59 ASN HB2 . 10027 1 768 . 1 1 59 59 ASN HB3 H 1 2.758 0.02 . 2 . . . . 59 ASN HB3 . 10027 1 769 . 1 1 59 59 ASN HD21 H 1 7.427 0.02 . 1 . . . . 59 ASN HD21 . 10027 1 770 . 1 1 59 59 ASN HD22 H 1 6.627 0.02 . 1 . . . . 59 ASN HD22 . 10027 1 771 . 1 1 59 59 ASN C C 13 178.629 0.1 . 1 . . . . 59 ASN C . 10027 1 772 . 1 1 59 59 ASN CA C 13 56.685 0.1 . 1 . . . . 59 ASN CA . 10027 1 773 . 1 1 59 59 ASN CB C 13 38.39 0.1 . 1 . . . . 59 ASN CB . 10027 1 774 . 1 1 59 59 ASN N N 15 118.196 0.2 . 1 . . . . 59 ASN N . 10027 1 775 . 1 1 59 59 ASN ND2 N 15 110.244 0.2 . 1 . . . . 59 ASN ND2 . 10027 1 776 . 1 1 60 60 GLY H H 1 8.151 0.02 . 1 . . . . 60 GLY H . 10027 1 777 . 1 1 60 60 GLY HA2 H 1 3.898 0.02 . 1 . . . . 60 GLY HA2 . 10027 1 778 . 1 1 60 60 GLY HA3 H 1 3.763 0.02 . 1 . . . . 60 GLY HA3 . 10027 1 779 . 1 1 60 60 GLY C C 13 176.893 0.1 . 1 . . . . 60 GLY C . 10027 1 780 . 1 1 60 60 GLY CA C 13 46.892 0.1 . 1 . . . . 60 GLY CA . 10027 1 781 . 1 1 60 60 GLY N N 15 107.391 0.2 . 1 . . . . 60 GLY N . 10027 1 782 . 1 1 61 61 LEU H H 1 7.812 0.02 . 1 . . . . 61 LEU H . 10027 1 783 . 1 1 61 61 LEU HA H 1 4.101 0.02 . 1 . . . . 61 LEU HA . 10027 1 784 . 1 1 61 61 LEU HB2 H 1 2.095 0.02 . 1 . . . . 61 LEU HB2 . 10027 1 785 . 1 1 61 61 LEU HB3 H 1 1.9 0.02 . 1 . . . . 61 LEU HB3 . 10027 1 786 . 1 1 61 61 LEU HG H 1 1.36 0.02 . 1 . . . . 61 LEU HG . 10027 1 787 . 1 1 61 61 LEU HD11 H 1 0.871 0.02 . 2 . . . . 61 LEU HD1 . 10027 1 788 . 1 1 61 61 LEU HD12 H 1 0.871 0.02 . 2 . . . . 61 LEU HD1 . 10027 1 789 . 1 1 61 61 LEU HD13 H 1 0.871 0.02 . 2 . . . . 61 LEU HD1 . 10027 1 790 . 1 1 61 61 LEU HD21 H 1 0.713 0.02 . 2 . . . . 61 LEU HD2 . 10027 1 791 . 1 1 61 61 LEU HD22 H 1 0.713 0.02 . 2 . . . . 61 LEU HD2 . 10027 1 792 . 1 1 61 61 LEU HD23 H 1 0.713 0.02 . 2 . . . . 61 LEU HD2 . 10027 1 793 . 1 1 61 61 LEU C C 13 178.441 0.1 . 1 . . . . 61 LEU C . 10027 1 794 . 1 1 61 61 LEU CA C 13 57.48 0.1 . 1 . . . . 61 LEU CA . 10027 1 795 . 1 1 61 61 LEU CB C 13 41.58 0.1 . 1 . . . . 61 LEU CB . 10027 1 796 . 1 1 61 61 LEU CG C 13 25.556 0.1 . 1 . . . . 61 LEU CG . 10027 1 797 . 1 1 61 61 LEU CD1 C 13 23.534 0.1 . 1 . . . . 61 LEU CD1 . 10027 1 798 . 1 1 61 61 LEU CD2 C 13 22.528 0.1 . 1 . . . . 61 LEU CD2 . 10027 1 799 . 1 1 61 61 LEU N N 15 123.898 0.2 . 1 . . . . 61 LEU N . 10027 1 800 . 1 1 62 62 LEU H H 1 8.3 0.02 . 1 . . . . 62 LEU H . 10027 1 801 . 1 1 62 62 LEU HA H 1 4.003 0.02 . 1 . . . . 62 LEU HA . 10027 1 802 . 1 1 62 62 LEU HB2 H 1 2.187 0.02 . 1 . . . . 62 LEU HB2 . 10027 1 803 . 1 1 62 62 LEU HB3 H 1 1.324 0.02 . 1 . . . . 62 LEU HB3 . 10027 1 804 . 1 1 62 62 LEU HG H 1 0.979 0.02 . 1 . . . . 62 LEU HG . 10027 1 805 . 1 1 62 62 LEU HD11 H 1 0.893 0.02 . 2 . . . . 62 LEU HD1 . 10027 1 806 . 1 1 62 62 LEU HD12 H 1 0.893 0.02 . 2 . . . . 62 LEU HD1 . 10027 1 807 . 1 1 62 62 LEU HD13 H 1 0.893 0.02 . 2 . . . . 62 LEU HD1 . 10027 1 808 . 1 1 62 62 LEU HD21 H 1 0.493 0.02 . 2 . . . . 62 LEU HD2 . 10027 1 809 . 1 1 62 62 LEU HD22 H 1 0.493 0.02 . 2 . . . . 62 LEU HD2 . 10027 1 810 . 1 1 62 62 LEU HD23 H 1 0.493 0.02 . 2 . . . . 62 LEU HD2 . 10027 1 811 . 1 1 62 62 LEU C C 13 179.834 0.1 . 1 . . . . 62 LEU C . 10027 1 812 . 1 1 62 62 LEU CA C 13 58.808 0.1 . 1 . . . . 62 LEU CA . 10027 1 813 . 1 1 62 62 LEU CB C 13 41.498 0.1 . 1 . . . . 62 LEU CB . 10027 1 814 . 1 1 62 62 LEU CG C 13 26.185 0.1 . 1 . . . . 62 LEU CG . 10027 1 815 . 1 1 62 62 LEU CD1 C 13 26.267 0.1 . 1 . . . . 62 LEU CD1 . 10027 1 816 . 1 1 62 62 LEU CD2 C 13 24.286 0.1 . 1 . . . . 62 LEU CD2 . 10027 1 817 . 1 1 62 62 LEU N N 15 118.767 0.2 . 1 . . . . 62 LEU N . 10027 1 818 . 1 1 63 63 THR H H 1 8.21 0.02 . 1 . . . . 63 THR H . 10027 1 819 . 1 1 63 63 THR HA H 1 3.981 0.02 . 1 . . . . 63 THR HA . 10027 1 820 . 1 1 63 63 THR HB H 1 4.106 0.02 . 1 . . . . 63 THR HB . 10027 1 821 . 1 1 63 63 THR HG21 H 1 1.138 0.02 . 1 . . . . 63 THR HG2 . 10027 1 822 . 1 1 63 63 THR HG22 H 1 1.138 0.02 . 1 . . . . 63 THR HG2 . 10027 1 823 . 1 1 63 63 THR HG23 H 1 1.138 0.02 . 1 . . . . 63 THR HG2 . 10027 1 824 . 1 1 63 63 THR C C 13 177.393 0.1 . 1 . . . . 63 THR C . 10027 1 825 . 1 1 63 63 THR CA C 13 66.419 0.1 . 1 . . . . 63 THR CA . 10027 1 826 . 1 1 63 63 THR CB C 13 68.582 0.1 . 1 . . . . 63 THR CB . 10027 1 827 . 1 1 63 63 THR CG2 C 13 21.543 0.1 . 1 . . . . 63 THR CG2 . 10027 1 828 . 1 1 63 63 THR N N 15 115.311 0.2 . 1 . . . . 63 THR N . 10027 1 829 . 1 1 64 64 SER H H 1 7.936 0.02 . 1 . . . . 64 SER H . 10027 1 830 . 1 1 64 64 SER HA H 1 4.048 0.02 . 1 . . . . 64 SER HA . 10027 1 831 . 1 1 64 64 SER HB2 H 1 3.717 0.02 . 2 . . . . 64 SER HB2 . 10027 1 832 . 1 1 64 64 SER HB3 H 1 3.717 0.02 . 2 . . . . 64 SER HB3 . 10027 1 833 . 1 1 64 64 SER C C 13 176.194 0.1 . 1 . . . . 64 SER C . 10027 1 834 . 1 1 64 64 SER CA C 13 62.234 0.1 . 1 . . . . 64 SER CA . 10027 1 835 . 1 1 64 64 SER CB C 13 62.269 0.1 . 1 . . . . 64 SER CB . 10027 1 836 . 1 1 64 64 SER N N 15 120.372 0.2 . 1 . . . . 64 SER N . 10027 1 837 . 1 1 65 65 PHE H H 1 8.116 0.02 . 1 . . . . 65 PHE H . 10027 1 838 . 1 1 65 65 PHE HA H 1 4.781 0.02 . 1 . . . . 65 PHE HA . 10027 1 839 . 1 1 65 65 PHE HB2 H 1 3.293 0.02 . 1 . . . . 65 PHE HB2 . 10027 1 840 . 1 1 65 65 PHE HB3 H 1 2.99 0.02 . 1 . . . . 65 PHE HB3 . 10027 1 841 . 1 1 65 65 PHE HD1 H 1 7.166 0.02 . 3 . . . . 65 PHE HD1 . 10027 1 842 . 1 1 65 65 PHE HD2 H 1 7.166 0.02 . 3 . . . . 65 PHE HD2 . 10027 1 843 . 1 1 65 65 PHE HE1 H 1 6.945 0.02 . 3 . . . . 65 PHE HE1 . 10027 1 844 . 1 1 65 65 PHE HE2 H 1 6.945 0.02 . 3 . . . . 65 PHE HE2 . 10027 1 845 . 1 1 65 65 PHE C C 13 178.767 0.1 . 1 . . . . 65 PHE C . 10027 1 846 . 1 1 65 65 PHE CA C 13 58.688 0.1 . 1 . . . . 65 PHE CA . 10027 1 847 . 1 1 65 65 PHE CB C 13 40.222 0.1 . 1 . . . . 65 PHE CB . 10027 1 848 . 1 1 65 65 PHE CD1 C 13 131.143 0.1 . 3 . . . . 65 PHE CD1 . 10027 1 849 . 1 1 65 65 PHE CD2 C 13 131.143 0.1 . 3 . . . . 65 PHE CD2 . 10027 1 850 . 1 1 65 65 PHE CE1 C 13 128.852 0.1 . 3 . . . . 65 PHE CE1 . 10027 1 851 . 1 1 65 65 PHE CE2 C 13 128.852 0.1 . 3 . . . . 65 PHE CE2 . 10027 1 852 . 1 1 65 65 PHE N N 15 117.127 0.2 . 1 . . . . 65 PHE N . 10027 1 853 . 1 1 66 66 CYS H H 1 8.299 0.02 . 1 . . . . 66 CYS H . 10027 1 854 . 1 1 66 66 CYS HA H 1 4.537 0.02 . 1 . . . . 66 CYS HA . 10027 1 855 . 1 1 66 66 CYS HB2 H 1 2.928 0.02 . 1 . . . . 66 CYS HB2 . 10027 1 856 . 1 1 66 66 CYS HB3 H 1 2.578 0.02 . 1 . . . . 66 CYS HB3 . 10027 1 857 . 1 1 66 66 CYS C C 13 175.691 0.1 . 1 . . . . 66 CYS C . 10027 1 858 . 1 1 66 66 CYS CA C 13 58.729 0.1 . 1 . . . . 66 CYS CA . 10027 1 859 . 1 1 66 66 CYS CB C 13 30.207 0.1 . 1 . . . . 66 CYS CB . 10027 1 860 . 1 1 66 66 CYS N N 15 113.988 0.2 . 1 . . . . 66 CYS N . 10027 1 861 . 1 1 67 67 GLY H H 1 8.433 0.02 . 1 . . . . 67 GLY H . 10027 1 862 . 1 1 67 67 GLY HA2 H 1 3.943 0.02 . 1 . . . . 67 GLY HA2 . 10027 1 863 . 1 1 67 67 GLY HA3 H 1 3.807 0.02 . 1 . . . . 67 GLY HA3 . 10027 1 864 . 1 1 67 67 GLY C C 13 175.169 0.1 . 1 . . . . 67 GLY C . 10027 1 865 . 1 1 67 67 GLY CA C 13 46.302 0.1 . 1 . . . . 67 GLY CA . 10027 1 866 . 1 1 67 67 GLY N N 15 111.952 0.2 . 1 . . . . 67 GLY N . 10027 1 867 . 1 1 68 68 ALA H H 1 8.777 0.02 . 1 . . . . 68 ALA H . 10027 1 868 . 1 1 68 68 ALA HA H 1 4.115 0.02 . 1 . . . . 68 ALA HA . 10027 1 869 . 1 1 68 68 ALA HB1 H 1 1.374 0.02 . 1 . . . . 68 ALA HB . 10027 1 870 . 1 1 68 68 ALA HB2 H 1 1.374 0.02 . 1 . . . . 68 ALA HB . 10027 1 871 . 1 1 68 68 ALA HB3 H 1 1.374 0.02 . 1 . . . . 68 ALA HB . 10027 1 872 . 1 1 68 68 ALA C C 13 177.666 0.1 . 1 . . . . 68 ALA C . 10027 1 873 . 1 1 68 68 ALA CA C 13 53.727 0.1 . 1 . . . . 68 ALA CA . 10027 1 874 . 1 1 68 68 ALA CB C 13 18.651 0.1 . 1 . . . . 68 ALA CB . 10027 1 875 . 1 1 68 68 ALA N N 15 127.728 0.2 . 1 . . . . 68 ALA N . 10027 1 876 . 1 1 69 69 ASP H H 1 7.708 0.02 . 1 . . . . 69 ASP H . 10027 1 877 . 1 1 69 69 ASP HA H 1 4.754 0.02 . 1 . . . . 69 ASP HA . 10027 1 878 . 1 1 69 69 ASP HB2 H 1 2.885 0.02 . 1 . . . . 69 ASP HB2 . 10027 1 879 . 1 1 69 69 ASP HB3 H 1 2.509 0.02 . 1 . . . . 69 ASP HB3 . 10027 1 880 . 1 1 69 69 ASP C C 13 174.944 0.1 . 1 . . . . 69 ASP C . 10027 1 881 . 1 1 69 69 ASP CA C 13 53.464 0.1 . 1 . . . . 69 ASP CA . 10027 1 882 . 1 1 69 69 ASP CB C 13 40.594 0.1 . 1 . . . . 69 ASP CB . 10027 1 883 . 1 1 69 69 ASP N N 15 116.524 0.2 . 1 . . . . 69 ASP N . 10027 1 884 . 1 1 70 70 ALA H H 1 7.146 0.02 . 1 . . . . 70 ALA H . 10027 1 885 . 1 1 70 70 ALA HA H 1 4.075 0.02 . 1 . . . . 70 ALA HA . 10027 1 886 . 1 1 70 70 ALA HB1 H 1 1.209 0.02 . 1 . . . . 70 ALA HB . 10027 1 887 . 1 1 70 70 ALA HB2 H 1 1.209 0.02 . 1 . . . . 70 ALA HB . 10027 1 888 . 1 1 70 70 ALA HB3 H 1 1.209 0.02 . 1 . . . . 70 ALA HB . 10027 1 889 . 1 1 70 70 ALA C C 13 174.484 0.1 . 1 . . . . 70 ALA C . 10027 1 890 . 1 1 70 70 ALA CA C 13 50.803 0.1 . 1 . . . . 70 ALA CA . 10027 1 891 . 1 1 70 70 ALA CB C 13 17.618 0.1 . 1 . . . . 70 ALA CB . 10027 1 892 . 1 1 70 70 ALA N N 15 123.483 0.2 . 1 . . . . 70 ALA N . 10027 1 893 . 1 1 71 71 PRO HA H 1 4.384 0.02 . 1 . . . . 71 PRO HA . 10027 1 894 . 1 1 71 71 PRO HB2 H 1 1.828 0.02 . 1 . . . . 71 PRO HB2 . 10027 1 895 . 1 1 71 71 PRO HB3 H 1 0.845 0.02 . 1 . . . . 71 PRO HB3 . 10027 1 896 . 1 1 71 71 PRO HG2 H 1 1.304 0.02 . 2 . . . . 71 PRO HG2 . 10027 1 897 . 1 1 71 71 PRO HG3 H 1 1.304 0.02 . 2 . . . . 71 PRO HG3 . 10027 1 898 . 1 1 71 71 PRO HD2 H 1 3.853 0.02 . 2 . . . . 71 PRO HD2 . 10027 1 899 . 1 1 71 71 PRO HD3 H 1 3.853 0.02 . 2 . . . . 71 PRO HD3 . 10027 1 900 . 1 1 71 71 PRO C C 13 175.584 0.1 . 1 . . . . 71 PRO C . 10027 1 901 . 1 1 71 71 PRO CA C 13 62.052 0.1 . 1 . . . . 71 PRO CA . 10027 1 902 . 1 1 71 71 PRO CB C 13 32.486 0.1 . 1 . . . . 71 PRO CB . 10027 1 903 . 1 1 71 71 PRO CG C 13 26.708 0.1 . 1 . . . . 71 PRO CG . 10027 1 904 . 1 1 71 71 PRO CD C 13 50.987 0.1 . 1 . . . . 71 PRO CD . 10027 1 905 . 1 1 72 72 GLN H H 1 7.837 0.02 . 1 . . . . 72 GLN H . 10027 1 906 . 1 1 72 72 GLN HA H 1 4.179 0.02 . 1 . . . . 72 GLN HA . 10027 1 907 . 1 1 72 72 GLN HB2 H 1 1.966 0.02 . 2 . . . . 72 GLN HB2 . 10027 1 908 . 1 1 72 72 GLN HB3 H 1 1.966 0.02 . 2 . . . . 72 GLN HB3 . 10027 1 909 . 1 1 72 72 GLN HG2 H 1 2.353 0.02 . 2 . . . . 72 GLN HG2 . 10027 1 910 . 1 1 72 72 GLN HG3 H 1 2.353 0.02 . 2 . . . . 72 GLN HG3 . 10027 1 911 . 1 1 72 72 GLN C C 13 174.823 0.1 . 1 . . . . 72 GLN C . 10027 1 912 . 1 1 72 72 GLN CA C 13 55.283 0.1 . 1 . . . . 72 GLN CA . 10027 1 913 . 1 1 72 72 GLN CB C 13 29.996 0.1 . 1 . . . . 72 GLN CB . 10027 1 914 . 1 1 72 72 GLN CG C 13 32.027 0.1 . 1 . . . . 72 GLN CG . 10027 1 915 . 1 1 72 72 GLN N N 15 117.564 0.2 . 1 . . . . 72 GLN N . 10027 1 916 . 1 1 73 73 LEU H H 1 8.397 0.02 . 1 . . . . 73 LEU H . 10027 1 917 . 1 1 73 73 LEU HA H 1 4.989 0.02 . 1 . . . . 73 LEU HA . 10027 1 918 . 1 1 73 73 LEU HB2 H 1 1.373 0.02 . 1 . . . . 73 LEU HB2 . 10027 1 919 . 1 1 73 73 LEU HB3 H 1 1.307 0.02 . 1 . . . . 73 LEU HB3 . 10027 1 920 . 1 1 73 73 LEU HG H 1 1.259 0.02 . 1 . . . . 73 LEU HG . 10027 1 921 . 1 1 73 73 LEU HD11 H 1 0.692 0.02 . 2 . . . . 73 LEU HD1 . 10027 1 922 . 1 1 73 73 LEU HD12 H 1 0.692 0.02 . 2 . . . . 73 LEU HD1 . 10027 1 923 . 1 1 73 73 LEU HD13 H 1 0.692 0.02 . 2 . . . . 73 LEU HD1 . 10027 1 924 . 1 1 73 73 LEU HD21 H 1 0.742 0.02 . 2 . . . . 73 LEU HD2 . 10027 1 925 . 1 1 73 73 LEU HD22 H 1 0.742 0.02 . 2 . . . . 73 LEU HD2 . 10027 1 926 . 1 1 73 73 LEU HD23 H 1 0.742 0.02 . 2 . . . . 73 LEU HD2 . 10027 1 927 . 1 1 73 73 LEU C C 13 177.04 0.1 . 1 . . . . 73 LEU C . 10027 1 928 . 1 1 73 73 LEU CA C 13 54.249 0.1 . 1 . . . . 73 LEU CA . 10027 1 929 . 1 1 73 73 LEU CB C 13 44.442 0.1 . 1 . . . . 73 LEU CB . 10027 1 930 . 1 1 73 73 LEU CG C 13 27.375 0.1 . 1 . . . . 73 LEU CG . 10027 1 931 . 1 1 73 73 LEU CD1 C 13 25.1 0.1 . 1 . . . . 73 LEU CD1 . 10027 1 932 . 1 1 73 73 LEU CD2 C 13 23.653 0.1 . 1 . . . . 73 LEU CD2 . 10027 1 933 . 1 1 73 73 LEU N N 15 124.491 0.2 . 1 . . . . 73 LEU N . 10027 1 934 . 1 1 74 74 ARG H H 1 8.413 0.02 . 1 . . . . 74 ARG H . 10027 1 935 . 1 1 74 74 ARG HA H 1 4.505 0.02 . 1 . . . . 74 ARG HA . 10027 1 936 . 1 1 74 74 ARG HB2 H 1 1.403 0.02 . 2 . . . . 74 ARG HB2 . 10027 1 937 . 1 1 74 74 ARG HB3 H 1 1.403 0.02 . 2 . . . . 74 ARG HB3 . 10027 1 938 . 1 1 74 74 ARG HG2 H 1 1.243 0.02 . 2 . . . . 74 ARG HG2 . 10027 1 939 . 1 1 74 74 ARG HG3 H 1 1.243 0.02 . 2 . . . . 74 ARG HG3 . 10027 1 940 . 1 1 74 74 ARG HD2 H 1 3.031 0.02 . 2 . . . . 74 ARG HD2 . 10027 1 941 . 1 1 74 74 ARG HD3 H 1 3.031 0.02 . 2 . . . . 74 ARG HD3 . 10027 1 942 . 1 1 74 74 ARG HE H 1 7.345 0.02 . 1 . . . . 74 ARG HE . 10027 1 943 . 1 1 74 74 ARG C C 13 172.732 0.1 . 1 . . . . 74 ARG C . 10027 1 944 . 1 1 74 74 ARG CA C 13 54.707 0.1 . 1 . . . . 74 ARG CA . 10027 1 945 . 1 1 74 74 ARG CB C 13 33.97 0.1 . 1 . . . . 74 ARG CB . 10027 1 946 . 1 1 74 74 ARG CG C 13 27.453 0.1 . 1 . . . . 74 ARG CG . 10027 1 947 . 1 1 74 74 ARG CD C 13 43.453 0.1 . 1 . . . . 74 ARG CD . 10027 1 948 . 1 1 74 74 ARG N N 15 125.061 0.2 . 1 . . . . 74 ARG N . 10027 1 949 . 1 1 74 74 ARG NE N 15 120.501 0.2 . 1 . . . . 74 ARG NE . 10027 1 950 . 1 1 75 75 PHE H H 1 8.573 0.02 . 1 . . . . 75 PHE H . 10027 1 951 . 1 1 75 75 PHE HA H 1 5.257 0.02 . 1 . . . . 75 PHE HA . 10027 1 952 . 1 1 75 75 PHE HB2 H 1 2.831 0.02 . 1 . . . . 75 PHE HB2 . 10027 1 953 . 1 1 75 75 PHE HB3 H 1 2.669 0.02 . 1 . . . . 75 PHE HB3 . 10027 1 954 . 1 1 75 75 PHE HD1 H 1 7.086 0.02 . 3 . . . . 75 PHE HD1 . 10027 1 955 . 1 1 75 75 PHE HD2 H 1 7.086 0.02 . 3 . . . . 75 PHE HD2 . 10027 1 956 . 1 1 75 75 PHE HE1 H 1 6.917 0.02 . 3 . . . . 75 PHE HE1 . 10027 1 957 . 1 1 75 75 PHE HE2 H 1 6.917 0.02 . 3 . . . . 75 PHE HE2 . 10027 1 958 . 1 1 75 75 PHE C C 13 174.996 0.1 . 1 . . . . 75 PHE C . 10027 1 959 . 1 1 75 75 PHE CA C 13 56.283 0.1 . 1 . . . . 75 PHE CA . 10027 1 960 . 1 1 75 75 PHE CB C 13 41.598 0.1 . 1 . . . . 75 PHE CB . 10027 1 961 . 1 1 75 75 PHE CD1 C 13 131.102 0.1 . 3 . . . . 75 PHE CD1 . 10027 1 962 . 1 1 75 75 PHE CD2 C 13 131.102 0.1 . 3 . . . . 75 PHE CD2 . 10027 1 963 . 1 1 75 75 PHE CE1 C 13 128.074 0.1 . 3 . . . . 75 PHE CE1 . 10027 1 964 . 1 1 75 75 PHE CE2 C 13 128.074 0.1 . 3 . . . . 75 PHE CE2 . 10027 1 965 . 1 1 75 75 PHE N N 15 122.676 0.2 . 1 . . . . 75 PHE N . 10027 1 966 . 1 1 76 76 GLU H H 1 8.623 0.02 . 1 . . . . 76 GLU H . 10027 1 967 . 1 1 76 76 GLU HA H 1 4.503 0.02 . 1 . . . . 76 GLU HA . 10027 1 968 . 1 1 76 76 GLU HB2 H 1 1.859 0.02 . 2 . . . . 76 GLU HB2 . 10027 1 969 . 1 1 76 76 GLU HB3 H 1 1.859 0.02 . 2 . . . . 76 GLU HB3 . 10027 1 970 . 1 1 76 76 GLU HG2 H 1 1.103 0.02 . 1 . . . . 76 GLU HG2 . 10027 1 971 . 1 1 76 76 GLU HG3 H 1 1.715 0.02 . 1 . . . . 76 GLU HG3 . 10027 1 972 . 1 1 76 76 GLU C C 13 174.586 0.1 . 1 . . . . 76 GLU C . 10027 1 973 . 1 1 76 76 GLU CA C 13 54.407 0.1 . 1 . . . . 76 GLU CA . 10027 1 974 . 1 1 76 76 GLU CB C 13 34.873 0.1 . 1 . . . . 76 GLU CB . 10027 1 975 . 1 1 76 76 GLU CG C 13 34.284 0.1 . 1 . . . . 76 GLU CG . 10027 1 976 . 1 1 76 76 GLU N N 15 123.221 0.2 . 1 . . . . 76 GLU N . 10027 1 977 . 1 1 77 77 VAL H H 1 8.721 0.02 . 1 . . . . 77 VAL H . 10027 1 978 . 1 1 77 77 VAL HA H 1 4.522 0.02 . 1 . . . . 77 VAL HA . 10027 1 979 . 1 1 77 77 VAL HB H 1 1.894 0.02 . 1 . . . . 77 VAL HB . 10027 1 980 . 1 1 77 77 VAL HG11 H 1 0.739 0.02 . 2 . . . . 77 VAL HG1 . 10027 1 981 . 1 1 77 77 VAL HG12 H 1 0.739 0.02 . 2 . . . . 77 VAL HG1 . 10027 1 982 . 1 1 77 77 VAL HG13 H 1 0.739 0.02 . 2 . . . . 77 VAL HG1 . 10027 1 983 . 1 1 77 77 VAL HG21 H 1 0.773 0.02 . 2 . . . . 77 VAL HG2 . 10027 1 984 . 1 1 77 77 VAL HG22 H 1 0.773 0.02 . 2 . . . . 77 VAL HG2 . 10027 1 985 . 1 1 77 77 VAL HG23 H 1 0.773 0.02 . 2 . . . . 77 VAL HG2 . 10027 1 986 . 1 1 77 77 VAL C C 13 176.488 0.1 . 1 . . . . 77 VAL C . 10027 1 987 . 1 1 77 77 VAL CA C 13 61.868 0.1 . 1 . . . . 77 VAL CA . 10027 1 988 . 1 1 77 77 VAL CB C 13 32.551 0.1 . 1 . . . . 77 VAL CB . 10027 1 989 . 1 1 77 77 VAL CG1 C 13 22.61 0.1 . 1 . . . . 77 VAL CG1 . 10027 1 990 . 1 1 77 77 VAL CG2 C 13 21.086 0.1 . 1 . . . . 77 VAL CG2 . 10027 1 991 . 1 1 77 77 VAL N N 15 121.588 0.2 . 1 . . . . 77 VAL N . 10027 1 992 . 1 1 78 78 GLY H H 1 8.833 0.02 . 1 . . . . 78 GLY H . 10027 1 993 . 1 1 78 78 GLY HA2 H 1 4.221 0.02 . 1 . . . . 78 GLY HA2 . 10027 1 994 . 1 1 78 78 GLY HA3 H 1 3.91 0.02 . 1 . . . . 78 GLY HA3 . 10027 1 995 . 1 1 78 78 GLY C C 13 172.177 0.1 . 1 . . . . 78 GLY C . 10027 1 996 . 1 1 78 78 GLY CA C 13 45.101 0.1 . 1 . . . . 78 GLY CA . 10027 1 997 . 1 1 78 78 GLY N N 15 115.343 0.2 . 1 . . . . 78 GLY N . 10027 1 998 . 1 1 79 79 THR HA H 1 4.194 0.02 . 1 . . . . 79 THR HA . 10027 1 999 . 1 1 79 79 THR HB H 1 4.017 0.02 . 1 . . . . 79 THR HB . 10027 1 1000 . 1 1 79 79 THR HG21 H 1 1.087 0.02 . 1 . . . . 79 THR HG2 . 10027 1 1001 . 1 1 79 79 THR HG22 H 1 1.087 0.02 . 1 . . . . 79 THR HG2 . 10027 1 1002 . 1 1 79 79 THR HG23 H 1 1.087 0.02 . 1 . . . . 79 THR HG2 . 10027 1 1003 . 1 1 79 79 THR C C 13 173.678 0.1 . 1 . . . . 79 THR C . 10027 1 1004 . 1 1 79 79 THR CA C 13 60.488 0.1 . 1 . . . . 79 THR CA . 10027 1 1005 . 1 1 79 79 THR CB C 13 70.255 0.1 . 1 . . . . 79 THR CB . 10027 1 1006 . 1 1 79 79 THR CG2 C 13 21.39 0.1 . 1 . . . . 79 THR CG2 . 10027 1 1007 . 1 1 80 80 LYS H H 1 8.156 0.02 . 1 . . . . 80 LYS H . 10027 1 1008 . 1 1 80 80 LYS HA H 1 3.857 0.02 . 1 . . . . 80 LYS HA . 10027 1 1009 . 1 1 80 80 LYS HB2 H 1 1.385 0.02 . 1 . . . . 80 LYS HB2 . 10027 1 1010 . 1 1 80 80 LYS HB3 H 1 1.47 0.02 . 1 . . . . 80 LYS HB3 . 10027 1 1011 . 1 1 80 80 LYS HG2 H 1 1.1 0.02 . 2 . . . . 80 LYS HG2 . 10027 1 1012 . 1 1 80 80 LYS HG3 H 1 1.1 0.02 . 2 . . . . 80 LYS HG3 . 10027 1 1013 . 1 1 80 80 LYS HD2 H 1 1.488 0.02 . 2 . . . . 80 LYS HD2 . 10027 1 1014 . 1 1 80 80 LYS HD3 H 1 1.488 0.02 . 2 . . . . 80 LYS HD3 . 10027 1 1015 . 1 1 80 80 LYS HZ1 H 1 2.812 0.02 . 1 . . . . 80 LYS HZ . 10027 1 1016 . 1 1 80 80 LYS HZ2 H 1 2.812 0.02 . 1 . . . . 80 LYS HZ . 10027 1 1017 . 1 1 80 80 LYS HZ3 H 1 2.812 0.02 . 1 . . . . 80 LYS HZ . 10027 1 1018 . 1 1 80 80 LYS C C 13 174.237 0.1 . 1 . . . . 80 LYS C . 10027 1 1019 . 1 1 80 80 LYS CA C 13 54.011 0.1 . 1 . . . . 80 LYS CA . 10027 1 1020 . 1 1 80 80 LYS CB C 13 32.539 0.1 . 1 . . . . 80 LYS CB . 10027 1 1021 . 1 1 80 80 LYS CG C 13 23.781 0.1 . 1 . . . . 80 LYS CG . 10027 1 1022 . 1 1 80 80 LYS CD C 13 28.904 0.1 . 1 . . . . 80 LYS CD . 10027 1 1023 . 1 1 80 80 LYS CE C 13 42.334 0.1 . 1 . . . . 80 LYS CE . 10027 1 1024 . 1 1 80 80 LYS N N 15 124.275 0.2 . 1 . . . . 80 LYS N . 10027 1 1025 . 1 1 81 81 PRO HA H 1 4.238 0.02 . 1 . . . . 81 PRO HA . 10027 1 1026 . 1 1 81 81 PRO HB2 H 1 2.147 0.02 . 1 . . . . 81 PRO HB2 . 10027 1 1027 . 1 1 81 81 PRO HB3 H 1 1.755 0.02 . 1 . . . . 81 PRO HB3 . 10027 1 1028 . 1 1 81 81 PRO HG2 H 1 1.824 0.02 . 2 . . . . 81 PRO HG2 . 10027 1 1029 . 1 1 81 81 PRO HG3 H 1 1.824 0.02 . 2 . . . . 81 PRO HG3 . 10027 1 1030 . 1 1 81 81 PRO C C 13 176.616 0.1 . 1 . . . . 81 PRO C . 10027 1 1031 . 1 1 81 81 PRO CA C 13 62.935 0.1 . 1 . . . . 81 PRO CA . 10027 1 1032 . 1 1 81 81 PRO CB C 13 32.032 0.1 . 1 . . . . 81 PRO CB . 10027 1 1033 . 1 1 81 81 PRO CG C 13 27.323 0.1 . 1 . . . . 81 PRO CG . 10027 1 1034 . 1 1 81 81 PRO CD C 13 50.901 0.1 . 1 . . . . 81 PRO CD . 10027 1 1035 . 1 1 82 82 VAL H H 1 8.182 0.02 . 1 . . . . 82 VAL H . 10027 1 1036 . 1 1 82 82 VAL HA H 1 4.043 0.02 . 1 . . . . 82 VAL HA . 10027 1 1037 . 1 1 82 82 VAL HB H 1 1.962 0.02 . 1 . . . . 82 VAL HB . 10027 1 1038 . 1 1 82 82 VAL HG11 H 1 0.834 0.02 . 2 . . . . 82 VAL HG1 . 10027 1 1039 . 1 1 82 82 VAL HG12 H 1 0.834 0.02 . 2 . . . . 82 VAL HG1 . 10027 1 1040 . 1 1 82 82 VAL HG13 H 1 0.834 0.02 . 2 . . . . 82 VAL HG1 . 10027 1 1041 . 1 1 82 82 VAL HG21 H 1 0.834 0.02 . 2 . . . . 82 VAL HG2 . 10027 1 1042 . 1 1 82 82 VAL HG22 H 1 0.834 0.02 . 2 . . . . 82 VAL HG2 . 10027 1 1043 . 1 1 82 82 VAL HG23 H 1 0.834 0.02 . 2 . . . . 82 VAL HG2 . 10027 1 1044 . 1 1 82 82 VAL C C 13 176.39 0.1 . 1 . . . . 82 VAL C . 10027 1 1045 . 1 1 82 82 VAL CA C 13 62.236 0.1 . 1 . . . . 82 VAL CA . 10027 1 1046 . 1 1 82 82 VAL CB C 13 32.854 0.1 . 1 . . . . 82 VAL CB . 10027 1 1047 . 1 1 82 82 VAL CG1 C 13 20.779 0.1 . 4 . . . . 82 VAL CG1 . 10027 1 1048 . 1 1 82 82 VAL CG2 C 13 20.779 0.1 . 4 . . . . 82 VAL CG2 . 10027 1 1049 . 1 1 82 82 VAL N N 15 120.916 0.2 . 1 . . . . 82 VAL N . 10027 1 1050 . 1 1 83 83 THR H H 1 8.138 0.02 . 1 . . . . 83 THR H . 10027 1 1051 . 1 1 83 83 THR HA H 1 4.263 0.02 . 1 . . . . 83 THR HA . 10027 1 1052 . 1 1 83 83 THR HB H 1 4.06 0.02 . 1 . . . . 83 THR HB . 10027 1 1053 . 1 1 83 83 THR HG21 H 1 1.091 0.02 . 1 . . . . 83 THR HG2 . 10027 1 1054 . 1 1 83 83 THR HG22 H 1 1.091 0.02 . 1 . . . . 83 THR HG2 . 10027 1 1055 . 1 1 83 83 THR HG23 H 1 1.091 0.02 . 1 . . . . 83 THR HG2 . 10027 1 1056 . 1 1 83 83 THR C C 13 174.143 0.1 . 1 . . . . 83 THR C . 10027 1 1057 . 1 1 83 83 THR CA C 13 61.738 0.1 . 1 . . . . 83 THR CA . 10027 1 1058 . 1 1 83 83 THR CB C 13 69.863 0.1 . 1 . . . . 83 THR CB . 10027 1 1059 . 1 1 83 83 THR CG2 C 13 21.515 0.1 . 1 . . . . 83 THR CG2 . 10027 1 1060 . 1 1 83 83 THR N N 15 118.611 0.2 . 1 . . . . 83 THR N . 10027 1 1061 . 1 1 84 84 GLN H H 1 8.398 0.02 . 1 . . . . 84 GLN H . 10027 1 1062 . 1 1 84 84 GLN HA H 1 4.344 0.02 . 1 . . . . 84 GLN HA . 10027 1 1063 . 1 1 84 84 GLN HB2 H 1 1.89 0.02 . 1 . . . . 84 GLN HB2 . 10027 1 1064 . 1 1 84 84 GLN HB3 H 1 2.046 0.02 . 1 . . . . 84 GLN HB3 . 10027 1 1065 . 1 1 84 84 GLN HG2 H 1 2.225 0.02 . 2 . . . . 84 GLN HG2 . 10027 1 1066 . 1 1 84 84 GLN HG3 H 1 2.225 0.02 . 2 . . . . 84 GLN HG3 . 10027 1 1067 . 1 1 84 84 GLN C C 13 175.63 0.1 . 1 . . . . 84 GLN C . 10027 1 1068 . 1 1 84 84 GLN CA C 13 55.589 0.1 . 1 . . . . 84 GLN CA . 10027 1 1069 . 1 1 84 84 GLN CB C 13 29.91 0.1 . 1 . . . . 84 GLN CB . 10027 1 1070 . 1 1 84 84 GLN CG C 13 33.687 0.1 . 1 . . . . 84 GLN CG . 10027 1 1071 . 1 1 84 84 GLN N N 15 123.404 0.2 . 1 . . . . 84 GLN N . 10027 1 1072 . 1 1 85 85 THR H H 1 8.239 0.02 . 1 . . . . 85 THR H . 10027 1 1073 . 1 1 85 85 THR HA H 1 4.496 0.02 . 1 . . . . 85 THR HA . 10027 1 1074 . 1 1 85 85 THR HB H 1 4.074 0.02 . 1 . . . . 85 THR HB . 10027 1 1075 . 1 1 85 85 THR CA C 13 59.976 0.1 . 1 . . . . 85 THR CA . 10027 1 1076 . 1 1 85 85 THR CB C 13 69.843 0.1 . 1 . . . . 85 THR CB . 10027 1 1077 . 1 1 85 85 THR N N 15 118.584 0.2 . 1 . . . . 85 THR N . 10027 1 1078 . 1 1 86 86 PRO HA H 1 4.333 0.02 . 1 . . . . 86 PRO HA . 10027 1 1079 . 1 1 86 86 PRO HB2 H 1 1.843 0.02 . 1 . . . . 86 PRO HB2 . 10027 1 1080 . 1 1 86 86 PRO HB3 H 1 2.276 0.02 . 1 . . . . 86 PRO HB3 . 10027 1 1081 . 1 1 86 86 PRO C C 13 176.875 0.1 . 1 . . . . 86 PRO C . 10027 1 1082 . 1 1 86 86 PRO CA C 13 63.343 0.1 . 1 . . . . 86 PRO CA . 10027 1 1083 . 1 1 86 86 PRO CB C 13 32.145 0.1 . 1 . . . . 86 PRO CB . 10027 1 1084 . 1 1 86 86 PRO CD C 13 51.068 0.1 . 1 . . . . 86 PRO CD . 10027 1 1085 . 1 1 87 87 GLN H H 1 8.39 0.02 . 1 . . . . 87 GLN H . 10027 1 1086 . 1 1 87 87 GLN HA H 1 4.163 0.02 . 1 . . . . 87 GLN HA . 10027 1 1087 . 1 1 87 87 GLN HB2 H 1 1.91 0.02 . 1 . . . . 87 GLN HB2 . 10027 1 1088 . 1 1 87 87 GLN HB3 H 1 2.068 0.02 . 1 . . . . 87 GLN HB3 . 10027 1 1089 . 1 1 87 87 GLN HG2 H 1 2.325 0.02 . 2 . . . . 87 GLN HG2 . 10027 1 1090 . 1 1 87 87 GLN HG3 H 1 2.325 0.02 . 2 . . . . 87 GLN HG3 . 10027 1 1091 . 1 1 87 87 GLN C C 13 175.654 0.1 . 1 . . . . 87 GLN C . 10027 1 1092 . 1 1 87 87 GLN CA C 13 55.868 0.1 . 1 . . . . 87 GLN CA . 10027 1 1093 . 1 1 87 87 GLN CB C 13 29.87 0.1 . 1 . . . . 87 GLN CB . 10027 1 1094 . 1 1 87 87 GLN N N 15 120.818 0.2 . 1 . . . . 87 GLN N . 10027 1 1095 . 1 1 88 88 ALA H H 1 8.216 0.02 . 1 . . . . 88 ALA H . 10027 1 1096 . 1 1 88 88 ALA HA H 1 4.203 0.02 . 1 . . . . 88 ALA HA . 10027 1 1097 . 1 1 88 88 ALA HB1 H 1 1.304 0.02 . 1 . . . . 88 ALA HB . 10027 1 1098 . 1 1 88 88 ALA HB2 H 1 1.304 0.02 . 1 . . . . 88 ALA HB . 10027 1 1099 . 1 1 88 88 ALA HB3 H 1 1.304 0.02 . 1 . . . . 88 ALA HB . 10027 1 1100 . 1 1 88 88 ALA C C 13 177.239 0.1 . 1 . . . . 88 ALA C . 10027 1 1101 . 1 1 88 88 ALA CA C 13 52.421 0.1 . 1 . . . . 88 ALA CA . 10027 1 1102 . 1 1 88 88 ALA CB C 13 19.452 0.1 . 1 . . . . 88 ALA CB . 10027 1 1103 . 1 1 88 88 ALA N N 15 125.423 0.2 . 1 . . . . 88 ALA N . 10027 1 1104 . 1 1 89 89 ALA H H 1 8.184 0.02 . 1 . . . . 89 ALA H . 10027 1 1105 . 1 1 89 89 ALA HA H 1 4.251 0.02 . 1 . . . . 89 ALA HA . 10027 1 1106 . 1 1 89 89 ALA HB1 H 1 1.33 0.02 . 1 . . . . 89 ALA HB . 10027 1 1107 . 1 1 89 89 ALA HB2 H 1 1.33 0.02 . 1 . . . . 89 ALA HB . 10027 1 1108 . 1 1 89 89 ALA HB3 H 1 1.33 0.02 . 1 . . . . 89 ALA HB . 10027 1 1109 . 1 1 89 89 ALA C C 13 177.669 0.1 . 1 . . . . 89 ALA C . 10027 1 1110 . 1 1 89 89 ALA CA C 13 52.451 0.1 . 1 . . . . 89 ALA CA . 10027 1 1111 . 1 1 89 89 ALA CB C 13 19.41 0.1 . 1 . . . . 89 ALA CB . 10027 1 1112 . 1 1 89 89 ALA N N 15 123.418 0.2 . 1 . . . . 89 ALA N . 10027 1 1113 . 1 1 90 90 VAL H H 1 8.063 0.02 . 1 . . . . 90 VAL H . 10027 1 1114 . 1 1 90 90 VAL HA H 1 4.079 0.02 . 1 . . . . 90 VAL HA . 10027 1 1115 . 1 1 90 90 VAL HB H 1 2.042 0.02 . 1 . . . . 90 VAL HB . 10027 1 1116 . 1 1 90 90 VAL HG11 H 1 0.876 0.02 . 2 . . . . 90 VAL HG1 . 10027 1 1117 . 1 1 90 90 VAL HG12 H 1 0.876 0.02 . 2 . . . . 90 VAL HG1 . 10027 1 1118 . 1 1 90 90 VAL HG13 H 1 0.876 0.02 . 2 . . . . 90 VAL HG1 . 10027 1 1119 . 1 1 90 90 VAL HG21 H 1 0.876 0.02 . 2 . . . . 90 VAL HG2 . 10027 1 1120 . 1 1 90 90 VAL HG22 H 1 0.876 0.02 . 2 . . . . 90 VAL HG2 . 10027 1 1121 . 1 1 90 90 VAL HG23 H 1 0.876 0.02 . 2 . . . . 90 VAL HG2 . 10027 1 1122 . 1 1 90 90 VAL C C 13 176.402 0.1 . 1 . . . . 90 VAL C . 10027 1 1123 . 1 1 90 90 VAL CA C 13 62.326 0.1 . 1 . . . . 90 VAL CA . 10027 1 1124 . 1 1 90 90 VAL CB C 13 32.958 0.1 . 1 . . . . 90 VAL CB . 10027 1 1125 . 1 1 90 90 VAL N N 15 119.47 0.2 . 1 . . . . 90 VAL N . 10027 1 1126 . 1 1 91 91 THR H H 1 8.136 0.02 . 1 . . . . 91 THR H . 10027 1 1127 . 1 1 91 91 THR HA H 1 4.323 0.02 . 1 . . . . 91 THR HA . 10027 1 1128 . 1 1 91 91 THR HB H 1 4.163 0.02 . 1 . . . . 91 THR HB . 10027 1 1129 . 1 1 91 91 THR HG21 H 1 1.136 0.02 . 1 . . . . 91 THR HG2 . 10027 1 1130 . 1 1 91 91 THR HG22 H 1 1.136 0.02 . 1 . . . . 91 THR HG2 . 10027 1 1131 . 1 1 91 91 THR HG23 H 1 1.136 0.02 . 1 . . . . 91 THR HG2 . 10027 1 1132 . 1 1 91 91 THR C C 13 174.322 0.1 . 1 . . . . 91 THR C . 10027 1 1133 . 1 1 91 91 THR CA C 13 61.582 0.1 . 1 . . . . 91 THR CA . 10027 1 1134 . 1 1 91 91 THR CB C 13 69.885 0.1 . 1 . . . . 91 THR CB . 10027 1 1135 . 1 1 91 91 THR N N 15 117.561 0.2 . 1 . . . . 91 THR N . 10027 1 1136 . 1 1 92 92 SER H H 1 8.204 0.02 . 1 . . . . 92 SER H . 10027 1 1137 . 1 1 92 92 SER HA H 1 4.363 0.02 . 1 . . . . 92 SER HA . 10027 1 1138 . 1 1 92 92 SER HB2 H 1 3.786 0.02 . 2 . . . . 92 SER HB2 . 10027 1 1139 . 1 1 92 92 SER HB3 H 1 3.786 0.02 . 2 . . . . 92 SER HB3 . 10027 1 1140 . 1 1 92 92 SER C C 13 176.584 0.1 . 1 . . . . 92 SER C . 10027 1 1141 . 1 1 92 92 SER CA C 13 58.095 0.1 . 1 . . . . 92 SER CA . 10027 1 1142 . 1 1 92 92 SER CB C 13 64.055 0.1 . 1 . . . . 92 SER CB . 10027 1 1143 . 1 1 92 92 SER N N 15 117.723 0.2 . 1 . . . . 92 SER N . 10027 1 1144 . 1 1 93 93 ASN H H 1 8.409 0.02 . 1 . . . . 93 ASN H . 10027 1 1145 . 1 1 93 93 ASN HA H 1 4.153 0.02 . 1 . . . . 93 ASN HA . 10027 1 1146 . 1 1 93 93 ASN HB2 H 1 2.714 0.02 . 2 . . . . 93 ASN HB2 . 10027 1 1147 . 1 1 93 93 ASN HB3 H 1 2.714 0.02 . 2 . . . . 93 ASN HB3 . 10027 1 1148 . 1 1 93 93 ASN C C 13 175.001 0.1 . 1 . . . . 93 ASN C . 10027 1 1149 . 1 1 93 93 ASN CA C 13 53.309 0.1 . 1 . . . . 93 ASN CA . 10027 1 1150 . 1 1 93 93 ASN CB C 13 38.928 0.1 . 1 . . . . 93 ASN CB . 10027 1 1151 . 1 1 93 93 ASN N N 15 121.065 0.2 . 1 . . . . 93 ASN N . 10027 1 1152 . 1 1 94 94 VAL H H 1 7.95 0.02 . 1 . . . . 94 VAL H . 10027 1 1153 . 1 1 94 94 VAL HA H 1 4.027 0.02 . 1 . . . . 94 VAL HA . 10027 1 1154 . 1 1 94 94 VAL HB H 1 1.995 0.02 . 1 . . . . 94 VAL HB . 10027 1 1155 . 1 1 94 94 VAL HG11 H 1 0.821 0.02 . 2 . . . . 94 VAL HG1 . 10027 1 1156 . 1 1 94 94 VAL HG12 H 1 0.821 0.02 . 2 . . . . 94 VAL HG1 . 10027 1 1157 . 1 1 94 94 VAL HG13 H 1 0.821 0.02 . 2 . . . . 94 VAL HG1 . 10027 1 1158 . 1 1 94 94 VAL HG21 H 1 0.821 0.02 . 2 . . . . 94 VAL HG2 . 10027 1 1159 . 1 1 94 94 VAL HG22 H 1 0.821 0.02 . 2 . . . . 94 VAL HG2 . 10027 1 1160 . 1 1 94 94 VAL HG23 H 1 0.821 0.02 . 2 . . . . 94 VAL HG2 . 10027 1 1161 . 1 1 94 94 VAL C C 13 175.533 0.1 . 1 . . . . 94 VAL C . 10027 1 1162 . 1 1 94 94 VAL CA C 13 62.134 0.1 . 1 . . . . 94 VAL CA . 10027 1 1163 . 1 1 94 94 VAL CB C 13 32.917 0.1 . 1 . . . . 94 VAL CB . 10027 1 1164 . 1 1 94 94 VAL N N 15 120.106 0.2 . 1 . . . . 94 VAL N . 10027 1 1165 . 1 1 95 95 ALA H H 1 8.219 0.02 . 1 . . . . 95 ALA H . 10027 1 1166 . 1 1 95 95 ALA HA H 1 4.223 0.02 . 1 . . . . 95 ALA HA . 10027 1 1167 . 1 1 95 95 ALA HB1 H 1 1.287 0.02 . 1 . . . . 95 ALA HB . 10027 1 1168 . 1 1 95 95 ALA HB2 H 1 1.287 0.02 . 1 . . . . 95 ALA HB . 10027 1 1169 . 1 1 95 95 ALA HB3 H 1 1.287 0.02 . 1 . . . . 95 ALA HB . 10027 1 1170 . 1 1 95 95 ALA C C 13 176.791 0.1 . 1 . . . . 95 ALA C . 10027 1 1171 . 1 1 95 95 ALA CA C 13 52.177 0.1 . 1 . . . . 95 ALA CA . 10027 1 1172 . 1 1 95 95 ALA CB C 13 19.472 0.1 . 1 . . . . 95 ALA CB . 10027 1 1173 . 1 1 95 95 ALA N N 15 127.783 0.2 . 1 . . . . 95 ALA N . 10027 1 1174 . 1 1 96 96 ALA H H 1 8.123 0.02 . 1 . . . . 96 ALA H . 10027 1 1175 . 1 1 96 96 ALA HA H 1 4.465 0.02 . 1 . . . . 96 ALA HA . 10027 1 1176 . 1 1 96 96 ALA HB1 H 1 1.282 0.02 . 1 . . . . 96 ALA HB . 10027 1 1177 . 1 1 96 96 ALA HB2 H 1 1.282 0.02 . 1 . . . . 96 ALA HB . 10027 1 1178 . 1 1 96 96 ALA HB3 H 1 1.282 0.02 . 1 . . . . 96 ALA HB . 10027 1 1179 . 1 1 96 96 ALA C C 13 175.504 0.1 . 1 . . . . 96 ALA C . 10027 1 1180 . 1 1 96 96 ALA CA C 13 50.567 0.1 . 1 . . . . 96 ALA CA . 10027 1 1181 . 1 1 96 96 ALA CB C 13 18.491 0.1 . 1 . . . . 96 ALA CB . 10027 1 1182 . 1 1 96 96 ALA N N 15 124.85 0.2 . 1 . . . . 96 ALA N . 10027 1 1183 . 1 1 97 97 PRO HA H 1 4.305 0.02 . 1 . . . . 97 PRO HA . 10027 1 1184 . 1 1 97 97 PRO HB2 H 1 2.22 0.02 . 1 . . . . 97 PRO HB2 . 10027 1 1185 . 1 1 97 97 PRO HB3 H 1 1.871 0.02 . 1 . . . . 97 PRO HB3 . 10027 1 1186 . 1 1 97 97 PRO HG2 H 1 1.923 0.02 . 2 . . . . 97 PRO HG2 . 10027 1 1187 . 1 1 97 97 PRO HG3 H 1 1.923 0.02 . 2 . . . . 97 PRO HG3 . 10027 1 1188 . 1 1 97 97 PRO HD2 H 1 3.579 0.02 . 2 . . . . 97 PRO HD2 . 10027 1 1189 . 1 1 97 97 PRO HD3 H 1 3.579 0.02 . 2 . . . . 97 PRO HD3 . 10027 1 1190 . 1 1 97 97 PRO C C 13 176.692 0.1 . 1 . . . . 97 PRO C . 10027 1 1191 . 1 1 97 97 PRO CA C 13 63.049 0.1 . 1 . . . . 97 PRO CA . 10027 1 1192 . 1 1 97 97 PRO CB C 13 32.098 0.1 . 1 . . . . 97 PRO CB . 10027 1 1193 . 1 1 97 97 PRO CG C 13 27.286 0.1 . 1 . . . . 97 PRO CG . 10027 1 1194 . 1 1 97 97 PRO CD C 13 50.373 0.1 . 1 . . . . 97 PRO CD . 10027 1 1195 . 1 1 98 98 ALA H H 1 8.281 0.02 . 1 . . . . 98 ALA H . 10027 1 1196 . 1 1 98 98 ALA HA H 1 4.192 0.02 . 1 . . . . 98 ALA HA . 10027 1 1197 . 1 1 98 98 ALA HB1 H 1 1.288 0.02 . 1 . . . . 98 ALA HB . 10027 1 1198 . 1 1 98 98 ALA HB2 H 1 1.288 0.02 . 1 . . . . 98 ALA HB . 10027 1 1199 . 1 1 98 98 ALA HB3 H 1 1.288 0.02 . 1 . . . . 98 ALA HB . 10027 1 1200 . 1 1 98 98 ALA C C 13 177.739 0.1 . 1 . . . . 98 ALA C . 10027 1 1201 . 1 1 98 98 ALA CA C 13 52.575 0.1 . 1 . . . . 98 ALA CA . 10027 1 1202 . 1 1 98 98 ALA CB C 13 19.452 0.1 . 1 . . . . 98 ALA CB . 10027 1 1203 . 1 1 98 98 ALA N N 15 123.887 0.2 . 1 . . . . 98 ALA N . 10027 1 1204 . 1 1 99 99 GLN H H 1 8.249 0.02 . 1 . . . . 99 GLN H . 10027 1 1205 . 1 1 99 99 GLN HA H 1 4.258 0.02 . 1 . . . . 99 GLN HA . 10027 1 1206 . 1 1 99 99 GLN HB2 H 1 1.899 0.02 . 2 . . . . 99 GLN HB2 . 10027 1 1207 . 1 1 99 99 GLN HB3 H 1 1.994 0.02 . 2 . . . . 99 GLN HB3 . 10027 1 1208 . 1 1 99 99 GLN HG2 H 1 2.282 0.02 . 2 . . . . 99 GLN HG2 . 10027 1 1209 . 1 1 99 99 GLN HG3 H 1 2.282 0.02 . 2 . . . . 99 GLN HG3 . 10027 1 1210 . 1 1 99 99 GLN C C 13 175.924 0.1 . 1 . . . . 99 GLN C . 10027 1 1211 . 1 1 99 99 GLN CA C 13 55.77 0.1 . 1 . . . . 99 GLN CA . 10027 1 1212 . 1 1 99 99 GLN CB C 13 29.776 0.1 . 1 . . . . 99 GLN CB . 10027 1 1213 . 1 1 99 99 GLN CG C 13 33.78 0.1 . 1 . . . . 99 GLN CG . 10027 1 1214 . 1 1 99 99 GLN N N 15 119.57 0.2 . 1 . . . . 99 GLN N . 10027 1 1215 . 1 1 100 100 VAL H H 1 8.065 0.02 . 1 . . . . 100 VAL H . 10027 1 1216 . 1 1 100 100 VAL HA H 1 4.025 0.02 . 1 . . . . 100 VAL HA . 10027 1 1217 . 1 1 100 100 VAL HB H 1 1.985 0.02 . 1 . . . . 100 VAL HB . 10027 1 1218 . 1 1 100 100 VAL HG11 H 1 0.87 0.02 . 2 . . . . 100 VAL HG1 . 10027 1 1219 . 1 1 100 100 VAL HG12 H 1 0.87 0.02 . 2 . . . . 100 VAL HG1 . 10027 1 1220 . 1 1 100 100 VAL HG13 H 1 0.87 0.02 . 2 . . . . 100 VAL HG1 . 10027 1 1221 . 1 1 100 100 VAL HG21 H 1 0.87 0.02 . 2 . . . . 100 VAL HG2 . 10027 1 1222 . 1 1 100 100 VAL HG22 H 1 0.87 0.02 . 2 . . . . 100 VAL HG2 . 10027 1 1223 . 1 1 100 100 VAL HG23 H 1 0.87 0.02 . 2 . . . . 100 VAL HG2 . 10027 1 1224 . 1 1 100 100 VAL C C 13 175.78 0.1 . 1 . . . . 100 VAL C . 10027 1 1225 . 1 1 100 100 VAL CA C 13 62.211 0.1 . 1 . . . . 100 VAL CA . 10027 1 1226 . 1 1 100 100 VAL CB C 13 32.986 0.1 . 1 . . . . 100 VAL CB . 10027 1 1227 . 1 1 100 100 VAL CG1 C 13 20.707 0.1 . 4 . . . . 100 VAL CG1 . 10027 1 1228 . 1 1 100 100 VAL CG2 C 13 20.707 0.1 . 4 . . . . 100 VAL CG2 . 10027 1 1229 . 1 1 100 100 VAL N N 15 121.497 0.2 . 1 . . . . 100 VAL N . 10027 1 1230 . 1 1 101 101 ALA H H 1 8.303 0.02 . 1 . . . . 101 ALA H . 10027 1 1231 . 1 1 101 101 ALA HA H 1 4.235 0.02 . 1 . . . . 101 ALA HA . 10027 1 1232 . 1 1 101 101 ALA HB1 H 1 1.304 0.02 . 1 . . . . 101 ALA HB . 10027 1 1233 . 1 1 101 101 ALA HB2 H 1 1.304 0.02 . 1 . . . . 101 ALA HB . 10027 1 1234 . 1 1 101 101 ALA HB3 H 1 1.304 0.02 . 1 . . . . 101 ALA HB . 10027 1 1235 . 1 1 101 101 ALA C C 13 177.502 0.1 . 1 . . . . 101 ALA C . 10027 1 1236 . 1 1 101 101 ALA CA C 13 52.567 0.1 . 1 . . . . 101 ALA CA . 10027 1 1237 . 1 1 101 101 ALA CB C 13 19.38 0.1 . 1 . . . . 101 ALA CB . 10027 1 1238 . 1 1 101 101 ALA N N 15 127.543 0.2 . 1 . . . . 101 ALA N . 10027 1 1239 . 1 1 102 102 GLN H H 1 8.306 0.02 . 1 . . . . 102 GLN H . 10027 1 1240 . 1 1 102 102 GLN HA H 1 4.308 0.02 . 1 . . . . 102 GLN HA . 10027 1 1241 . 1 1 102 102 GLN HB2 H 1 2.056 0.02 . 2 . . . . 102 GLN HB2 . 10027 1 1242 . 1 1 102 102 GLN HB3 H 1 2.056 0.02 . 2 . . . . 102 GLN HB3 . 10027 1 1243 . 1 1 102 102 GLN HG2 H 1 2.313 0.02 . 2 . . . . 102 GLN HG2 . 10027 1 1244 . 1 1 102 102 GLN HG3 H 1 2.313 0.02 . 2 . . . . 102 GLN HG3 . 10027 1 1245 . 1 1 102 102 GLN C C 13 176.126 0.1 . 1 . . . . 102 GLN C . 10027 1 1246 . 1 1 102 102 GLN CA C 13 55.783 0.1 . 1 . . . . 102 GLN CA . 10027 1 1247 . 1 1 102 102 GLN CB C 13 29.807 0.1 . 1 . . . . 102 GLN CB . 10027 1 1248 . 1 1 102 102 GLN CG C 13 33.788 0.1 . 1 . . . . 102 GLN CG . 10027 1 1249 . 1 1 102 102 GLN N N 15 119.938 0.2 . 1 . . . . 102 GLN N . 10027 1 1250 . 1 1 103 103 THR H H 1 8.113 0.02 . 1 . . . . 103 THR H . 10027 1 1251 . 1 1 103 103 THR HA H 1 4.244 0.02 . 1 . . . . 103 THR HA . 10027 1 1252 . 1 1 103 103 THR HB H 1 4.091 0.02 . 1 . . . . 103 THR HB . 10027 1 1253 . 1 1 103 103 THR HG21 H 1 1.126 0.02 . 1 . . . . 103 THR HG2 . 10027 1 1254 . 1 1 103 103 THR HG22 H 1 1.126 0.02 . 1 . . . . 103 THR HG2 . 10027 1 1255 . 1 1 103 103 THR HG23 H 1 1.126 0.02 . 1 . . . . 103 THR HG2 . 10027 1 1256 . 1 1 103 103 THR C C 13 174.197 0.1 . 1 . . . . 103 THR C . 10027 1 1257 . 1 1 103 103 THR CA C 13 61.856 0.1 . 1 . . . . 103 THR CA . 10027 1 1258 . 1 1 103 103 THR CB C 13 69.93 0.1 . 1 . . . . 103 THR CB . 10027 1 1259 . 1 1 103 103 THR CG2 C 13 21.578 0.1 . 1 . . . . 103 THR CG2 . 10027 1 1260 . 1 1 103 103 THR N N 15 115.56 0.2 . 1 . . . . 103 THR N . 10027 1 1261 . 1 1 104 104 GLN H H 1 8.326 0.02 . 1 . . . . 104 GLN H . 10027 1 1262 . 1 1 104 104 GLN HA H 1 4.573 0.02 . 1 . . . . 104 GLN HA . 10027 1 1263 . 1 1 104 104 GLN HB2 H 1 1.859 0.02 . 1 . . . . 104 GLN HB2 . 10027 1 1264 . 1 1 104 104 GLN HB3 H 1 2.041 0.02 . 1 . . . . 104 GLN HB3 . 10027 1 1265 . 1 1 104 104 GLN HG2 H 1 2.309 0.02 . 2 . . . . 104 GLN HG2 . 10027 1 1266 . 1 1 104 104 GLN HG3 H 1 2.309 0.02 . 2 . . . . 104 GLN HG3 . 10027 1 1267 . 1 1 104 104 GLN CA C 13 53.721 0.1 . 1 . . . . 104 GLN CA . 10027 1 1268 . 1 1 104 104 GLN CB C 13 29.315 0.1 . 1 . . . . 104 GLN CB . 10027 1 1269 . 1 1 104 104 GLN N N 15 123.637 0.2 . 1 . . . . 104 GLN N . 10027 1 1270 . 1 1 105 105 PRO HA H 1 4.291 0.02 . 1 . . . . 105 PRO HA . 10027 1 1271 . 1 1 105 105 PRO HB2 H 1 1.931 0.02 . 2 . . . . 105 PRO HB2 . 10027 1 1272 . 1 1 105 105 PRO HB3 H 1 1.931 0.02 . 2 . . . . 105 PRO HB3 . 10027 1 1273 . 1 1 105 105 PRO HG2 H 1 2.226 0.02 . 2 . . . . 105 PRO HG2 . 10027 1 1274 . 1 1 105 105 PRO HG3 H 1 2.226 0.02 . 2 . . . . 105 PRO HG3 . 10027 1 1275 . 1 1 105 105 PRO C C 13 176.634 0.1 . 1 . . . . 105 PRO C . 10027 1 1276 . 1 1 105 105 PRO CA C 13 63.095 0.1 . 1 . . . . 105 PRO CA . 10027 1 1277 . 1 1 105 105 PRO CB C 13 32.246 0.1 . 1 . . . . 105 PRO CB . 10027 1 1278 . 1 1 105 105 PRO CG C 13 27.245 0.1 . 1 . . . . 105 PRO CG . 10027 1 1279 . 1 1 105 105 PRO CD C 13 50.634 0.1 . 1 . . . . 105 PRO CD . 10027 1 1280 . 1 1 106 106 GLN H H 1 8.427 0.02 . 1 . . . . 106 GLN H . 10027 1 1281 . 1 1 106 106 GLN HA H 1 4.206 0.02 . 1 . . . . 106 GLN HA . 10027 1 1282 . 1 1 106 106 GLN HB2 H 1 2.063 0.02 . 1 . . . . 106 GLN HB2 . 10027 1 1283 . 1 1 106 106 GLN HB3 H 1 1.638 0.02 . 1 . . . . 106 GLN HB3 . 10027 1 1284 . 1 1 106 106 GLN HG2 H 1 2.326 0.02 . 2 . . . . 106 GLN HG2 . 10027 1 1285 . 1 1 106 106 GLN HG3 H 1 2.326 0.02 . 2 . . . . 106 GLN HG3 . 10027 1 1286 . 1 1 106 106 GLN C C 13 175.046 0.1 . 1 . . . . 106 GLN C . 10027 1 1287 . 1 1 106 106 GLN CA C 13 55.943 0.1 . 1 . . . . 106 GLN CA . 10027 1 1288 . 1 1 106 106 GLN CB C 13 29.825 0.1 . 1 . . . . 106 GLN CB . 10027 1 1289 . 1 1 106 106 GLN CG C 13 33.781 0.1 . 1 . . . . 106 GLN CG . 10027 1 1290 . 1 1 106 106 GLN N N 15 121.319 0.2 . 1 . . . . 106 GLN N . 10027 1 1291 . 1 1 107 107 ARG H H 1 7.946 0.02 . 1 . . . . 107 ARG H . 10027 1 1292 . 1 1 107 107 ARG HA H 1 4.102 0.02 . 1 . . . . 107 ARG HA . 10027 1 1293 . 1 1 107 107 ARG HB2 H 1 1.778 0.02 . 2 . . . . 107 ARG HB2 . 10027 1 1294 . 1 1 107 107 ARG HB3 H 1 1.778 0.02 . 2 . . . . 107 ARG HB3 . 10027 1 1295 . 1 1 107 107 ARG HG2 H 1 1.507 0.02 . 2 . . . . 107 ARG HG2 . 10027 1 1296 . 1 1 107 107 ARG HG3 H 1 1.507 0.02 . 2 . . . . 107 ARG HG3 . 10027 1 1297 . 1 1 107 107 ARG HD2 H 1 3.109 0.02 . 2 . . . . 107 ARG HD2 . 10027 1 1298 . 1 1 107 107 ARG HD3 H 1 3.109 0.02 . 2 . . . . 107 ARG HD3 . 10027 1 1299 . 1 1 107 107 ARG C C 13 180.794 0.1 . 1 . . . . 107 ARG C . 10027 1 1300 . 1 1 107 107 ARG CA C 13 57.457 0.1 . 1 . . . . 107 ARG CA . 10027 1 1301 . 1 1 107 107 ARG CB C 13 31.806 0.1 . 1 . . . . 107 ARG CB . 10027 1 1302 . 1 1 107 107 ARG N N 15 127.889 0.2 . 1 . . . . 107 ARG N . 10027 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 15 10027 1 1 16 10027 1 2 40 10027 1 2 41 10027 1 3 1047 10027 1 3 1048 10027 1 4 1227 10027 1 4 1228 10027 1 stop_ save_