data_5327 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5327 _Entry.Title ; Structural basis for Hif-1alpha/CBP recognition in the cellular hypoxic response ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-03-19 _Entry.Accession_date 2002-03-19 _Entry.Last_release_date 2002-03-19 _Entry.Original_release_date 2002-03-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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.ORCID _Entry_author.Entry_ID 1 Sonja Dames . . . . 5327 2 Maria Martinez-Yamout . . . . 5327 3 Roberto 'De Guzman' . N. . . 5327 4 'H. Jane' Dyson . . . . 5327 5 Peter Wright . E. . . 5327 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5327 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 467 5327 '15N chemical shifts' 154 5327 '1H chemical shifts' 939 5327 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 1 . . 2002-06-13 . original BMRB . 5327 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5327 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21957241 _Citation.DOI . _Citation.PubMed_ID 11959977 _Citation.Full_citation . _Citation.Title ; From the Cover: Structural basis for Hif-1alpha/CBP Recognition in the Cellular Hypoxic Response ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 99 _Citation.Journal_issue 8 _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 5271 _Citation.Page_last 5276 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sonja Dames . A. . . 5327 1 2 Maria Martinez-Yamout . . . . 5327 1 3 Roberto 'De Guzman' . N. . . 5327 1 4 H. Dyson . J. . . 5327 1 5 Peter Wright . E. . . 5327 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CBP 5327 1 HIF-1alpha 5327 1 TAZ1 5327 1 hypoxia 5327 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Hif-1alpha_CBP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Hif-1alpha_CBP _Assembly.Entry_ID 5327 _Assembly.ID 1 _Assembly.Name 'Hif-1alpha/CBP complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'other bound and free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 5327 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 Hif-1alpha 1 $Hif-1alpha . . . native . . . . . 5327 1 2 CBP 2 $CBP . . . native . . . . . 5327 1 3 'Zinc ion, I' 3 $ZN . . . native . . . . . 5327 1 4 'Zinc ion, II' 3 $ZN . . . native . . . . . 5327 1 5 'Zinc ion, III' 3 $ZN . . . native . . . . . 5327 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 2 . 2 CYS 22 22 SG . 3 'Zinc ion, I' 3 ZN 1 1 ZN . . . . . . . . . . . . 5327 1 2 disulfide single . 2 . 2 CYS 35 35 SG . 3 'Zinc ion, I' 3 ZN 1 1 ZN . . . . . . . . . . . . 5327 1 3 disulfide single . 2 . 2 CYS 40 40 SG . 3 'Zinc ion, I' 3 ZN 1 1 ZN . . . . . . . . . . . . 5327 1 4 disulfide single . 2 . 2 CYS 53 53 SG . 4 'Zinc ion, II' 3 ZN 1 1 ZN . . . . . . . . . . . . 5327 1 5 disulfide single . 2 . 2 CYS 59 59 SG . 4 'Zinc ion, II' 3 ZN 1 1 ZN . . . . . . . . . . . . 5327 1 6 disulfide single . 2 . 2 CYS 64 64 SG . 4 'Zinc ion, II' 3 ZN 1 1 ZN . . . . . . . . . . . . 5327 1 7 disulfide single . 2 . 2 CYS 77 77 SG . 5 'Zinc ion, III' 3 ZN 1 1 ZN . . . . . . . . . . . . 5327 1 8 disulfide single . 2 . 2 CYS 82 82 SG . 5 'Zinc ion, III' 3 ZN 1 1 ZN . . . . . . . . . . . . 5327 1 9 disulfide single . 2 . 2 CYS 85 85 SG . 5 'Zinc ion, III' 3 ZN 1 1 ZN . . . . . . . . . . . . 5327 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 1L8C . . . . . . 5327 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hif-1alpha CBP' abbreviation 5327 1 'Hif-1alpha/CBP complex' system 5327 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hif-1alpha _Entity.Sf_category entity _Entity.Sf_framecode Hif-1alpha _Entity.Entry_ID 5327 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'hypoxia induced factor 1 alpha' _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 ; SDLACRLLGQSMDESGLPQL TSYDCEVNAPIQGSRNLLQG EELLRALDQVN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 51 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . no BMRB 5306 . 'C-terminal activation domain of hypoxia inducible factor-1alpha' . . . . . 80.39 42 100.00 100.00 5.66e-15 . . . . 5327 1 . no PDB 1H2K . 'Factor Inhibiting Hif-1 Alpha In Complex With Hif-1 Alpha Fragment Peptide' . . . . . 80.39 41 100.00 100.00 5.39e-15 . . . . 5327 1 . no PDB 1H2L . 'Factor Inhibiting Hif-1 Alpha In Complex With Hif-1 Alpha Fragment Peptide' . . . . . 80.39 41 100.00 100.00 5.39e-15 . . . . 5327 1 . no PDB 1H2M . 'Factor Inhibiting Hif-1 Alpha In Complex With Hif-1 Alpha Fragment Peptide' . . . . . 100.00 52 100.00 100.00 1.53e-20 . . . . 5327 1 . no PDB 1L3E . 'Nmr Structures Of The Hif-1alpha CtadP300 CH1 COMPLEX' . . . . . 80.39 42 100.00 100.00 5.66e-15 . . . . 5327 1 . no PDB 1L8C . 'Structural Basis For Hif-1alphaCBP RECOGNITION IN THE Cellular Hypoxic Response' . . . . . 100.00 51 100.00 100.00 1.39e-20 . . . . 5327 1 . no PDB 2ILM . 'Factor Inhibiting Hif-1 Alpha D201a Mutant In Complex With Fe(Ii), Alpha-Ketoglutarate And Hif-1 Alpha 35mer' . . . . . 80.39 41 100.00 100.00 5.39e-15 . . . . 5327 1 . no DBJ BAA78675 . 'hypoxia-inducible factor-1 alpha [Bos taurus]' . . . . . 100.00 823 100.00 100.00 9.24e-22 . . . . 5327 1 . no DBJ BAC28305 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 177 100.00 100.00 1.07e-21 . . . . 5327 1 . no DBJ BAC28578 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 837 100.00 100.00 8.36e-22 . . . . 5327 1 . no DBJ BAC36320 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 736 100.00 100.00 7.63e-22 . . . . 5327 1 . no DBJ BAE01417 . 'unnamed protein product [Macaca fascicularis]' . . . . . 100.00 826 100.00 100.00 8.02e-22 . . . . 5327 1 . no EMBL CAA64833 . 'hypoxia-inducible factor one alpha [Mus musculus]' . . . . . 100.00 810 98.04 98.04 5.89e-21 . . . . 5327 1 . no EMBL CAA70305 . 'hypoxia-inducible factor one alpha [Mus musculus]' . . . . . 100.00 810 100.00 100.00 7.63e-22 . . . . 5327 1 . no EMBL CAA70306 . 'hypoxia-inducible factor one alpha [Mus musculus]' . . . . . 100.00 822 100.00 100.00 7.50e-22 . . . . 5327 1 . no EMBL CAA70701 . 'hypoxia-inducible factor 1 [Rattus norvegicus]' . . . . . 100.00 825 100.00 100.00 8.58e-22 . . . . 5327 1 . no EMBL CAG29396 . 'hypoxia inducible factor 1 alpha [Spalax judaei]' . . . . . 100.00 824 98.04 98.04 7.89e-21 . . . . 5327 1 . no GenBank AAC50152 . 'hypoxia-inducible factor 1 alpha' . . . . . 100.00 826 100.00 100.00 7.96e-22 . . . . 5327 1 . no GenBank AAC51210 . 'ARNT interacting protein' . . . . . 100.00 826 100.00 100.00 7.96e-22 . . . . 5327 1 . no GenBank AAC52730 . 'hypoxia-inducible factor 1 alpha' . . . . . 100.00 822 100.00 100.00 7.96e-22 . . . . 5327 1 . no GenBank AAC53455 . 'hypoxia-inducible factor 1 alpha [Mus musculus]' . . . . . 100.00 836 100.00 100.00 8.36e-22 . . . . 5327 1 . no GenBank AAC53461 . 'hypoxia-inducible factor 1 alpha [Mus musculus]' . . . . . 100.00 836 100.00 100.00 8.36e-22 . . . . 5327 1 . no PRF 2114407A . 'hypoxia-inducible factor 1' . . . . . 100.00 826 100.00 100.00 7.96e-22 . . . . 5327 1 . no REF NP_001076251 . 'hypoxia-inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) [Oryctolagus cuniculus]' . . . . . 100.00 819 100.00 100.00 9.40e-22 . . . . 5327 1 . no REF NP_001116596 . 'hypoxia-inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) [Sus scrofa]' . . . . . 100.00 824 100.00 100.00 8.16e-22 . . . . 5327 1 . no REF NP_001521 . 'hypoxia-inducible factor 1, alpha subunit isoform 1 [Homo sapiens]' . . . . . 100.00 826 100.00 100.00 7.96e-22 . . . . 5327 1 . no REF NP_034561 . 'hypoxia inducible factor 1, alpha subunit [Mus musculus]' . . . . . 100.00 836 100.00 100.00 8.36e-22 . . . . 5327 1 . no REF NP_077335 . 'hypoxia inducible factor 1, alpha subunit [Rattus norvegicus]' . . . . . 100.00 823 100.00 100.00 8.29e-22 . . . . 5327 1 . no SWISS-PROT O35800 . 'Hypoxia-inducible factor 1 alpha (HIF-1 alpha) (HIF1 alpha)' . . . . . 100.00 825 100.00 100.00 8.58e-22 . . . . 5327 1 . no SWISS-PROT Q0PGG7 . 'Hypoxia-inducible factor 1 alpha (HIF-1 alpha) (HIF1 alpha)' . . . . . 100.00 823 98.04 98.04 2.97e-21 . . . . 5327 1 . no SWISS-PROT Q16665 . ; Hypoxia-inducible factor 1 alpha (HIF-1 alpha) (HIF1 alpha) (ARNT-interacting protein) (Member of PAS protein 1) (Basic-helix-loop-helix-PAS protein MOP1) ; . . . . . 100.00 826 100.00 100.00 7.96e-22 . . . . 5327 1 . no SWISS-PROT Q309Z6 . 'Hypoxia-inducible factor 1 alpha (HIF-1 alpha) (HIF1 alpha)' . . . . . 100.00 819 98.04 98.04 7.57e-21 . . . . 5327 1 . no SWISS-PROT Q61221 . 'Hypoxia-inducible factor 1 alpha (HIF-1 alpha) (HIF1 alpha) (ARNT-interacting protein)' . . . . . 100.00 836 100.00 100.00 8.58e-22 . . . . 5327 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Hif-1alpha abbreviation 5327 1 'hypoxia induced factor 1 alpha' common 5327 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 . 5327 1 2 . ASP . 5327 1 3 . LEU . 5327 1 4 . ALA . 5327 1 5 . CYS . 5327 1 6 . ARG . 5327 1 7 . LEU . 5327 1 8 . LEU . 5327 1 9 . GLY . 5327 1 10 . GLN . 5327 1 11 . SER . 5327 1 12 . MET . 5327 1 13 . ASP . 5327 1 14 . GLU . 5327 1 15 . SER . 5327 1 16 . GLY . 5327 1 17 . LEU . 5327 1 18 . PRO . 5327 1 19 . GLN . 5327 1 20 . LEU . 5327 1 21 . THR . 5327 1 22 . SER . 5327 1 23 . TYR . 5327 1 24 . ASP . 5327 1 25 . CYS . 5327 1 26 . GLU . 5327 1 27 . VAL . 5327 1 28 . ASN . 5327 1 29 . ALA . 5327 1 30 . PRO . 5327 1 31 . ILE . 5327 1 32 . GLN . 5327 1 33 . GLY . 5327 1 34 . SER . 5327 1 35 . ARG . 5327 1 36 . ASN . 5327 1 37 . LEU . 5327 1 38 . LEU . 5327 1 39 . GLN . 5327 1 40 . GLY . 5327 1 41 . GLU . 5327 1 42 . GLU . 5327 1 43 . LEU . 5327 1 44 . LEU . 5327 1 45 . ARG . 5327 1 46 . ALA . 5327 1 47 . LEU . 5327 1 48 . ASP . 5327 1 49 . GLN . 5327 1 50 . VAL . 5327 1 51 . ASN . 5327 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 5327 1 . ASP 2 2 5327 1 . LEU 3 3 5327 1 . ALA 4 4 5327 1 . CYS 5 5 5327 1 . ARG 6 6 5327 1 . LEU 7 7 5327 1 . LEU 8 8 5327 1 . GLY 9 9 5327 1 . GLN 10 10 5327 1 . SER 11 11 5327 1 . MET 12 12 5327 1 . ASP 13 13 5327 1 . GLU 14 14 5327 1 . SER 15 15 5327 1 . GLY 16 16 5327 1 . LEU 17 17 5327 1 . PRO 18 18 5327 1 . GLN 19 19 5327 1 . LEU 20 20 5327 1 . THR 21 21 5327 1 . SER 22 22 5327 1 . TYR 23 23 5327 1 . ASP 24 24 5327 1 . CYS 25 25 5327 1 . GLU 26 26 5327 1 . VAL 27 27 5327 1 . ASN 28 28 5327 1 . ALA 29 29 5327 1 . PRO 30 30 5327 1 . ILE 31 31 5327 1 . GLN 32 32 5327 1 . GLY 33 33 5327 1 . SER 34 34 5327 1 . ARG 35 35 5327 1 . ASN 36 36 5327 1 . LEU 37 37 5327 1 . LEU 38 38 5327 1 . GLN 39 39 5327 1 . GLY 40 40 5327 1 . GLU 41 41 5327 1 . GLU 42 42 5327 1 . LEU 43 43 5327 1 . LEU 44 44 5327 1 . ARG 45 45 5327 1 . ALA 46 46 5327 1 . LEU 47 47 5327 1 . ASP 48 48 5327 1 . GLN 49 49 5327 1 . VAL 50 50 5327 1 . ASN 51 51 5327 1 stop_ save_ save_CBP _Entity.Sf_category entity _Entity.Sf_framecode CBP _Entity.Entry_ID 5327 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'CREB-binding protein' _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 ; ADPEKRKLIQQQLVLLLHAH KCQRREQANGEVRACSLPHC RTMKNVLNHMTHCQAGKACQ VAHCASSRQIISHWKNCTRH DCPVCLPLKNASDKR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . no BMRB 5987 . 'CBP TAZ1 domain' . . . . . 100.00 100 100.00 100.00 4.11e-48 . . . . 5327 2 . no BMRB 6268 . 'CBP TAZ1 domain' . . . . . 100.00 100 100.00 100.00 4.11e-48 . . . . 5327 2 . no PDB 1L8C . 'Structural Basis For Hif-1alphaCBP RECOGNITION IN THE Cellular Hypoxic Response' . . . . . 98.95 95 100.00 100.00 2.11e-47 . . . . 5327 2 . no PDB 1R8U . 'Nmr Structure Of Cbp Taz1CITED2 COMPLEX' . . . . . 98.95 100 100.00 100.00 1.54e-47 . . . . 5327 2 . no PDB 1U2N . 'Structure Cbp Taz1 Domain' . . . . . 98.95 100 98.94 98.94 1.49e-46 . . . . 5327 2 . no DBJ BAE06125 . 'CREBBP variant protein [Homo sapiens]' . . . . . 64.21 2472 98.36 98.36 4.43e-22 . . . . 5327 2 . no DBJ BAG65526 . 'unnamed protein product [Homo sapiens]' . . . . . 55.79 1198 100.00 100.00 2.18e-25 . . . . 5327 2 . no GenBank AAB28651 . 'CREB-binding protein; CBP [Mus sp.]' . . . . . 100.00 2441 98.95 98.95 4.55e-44 . . . . 5327 2 . no GenBank AAC08447 . 'CBP [Homo sapiens]' . . . . . 100.00 555 100.00 100.00 2.33e-52 . . . . 5327 2 . no GenBank AAC51331 . 'CREB-binding protein [Homo sapiens]' . . . . . 100.00 2442 100.00 100.00 4.02e-45 . . . . 5327 2 . no GenBank AAC51770 . 'CREB-binding protein' . . . . . 100.00 2442 100.00 100.00 4.02e-45 . . . . 5327 2 . no GenBank AAH72594 . 'Crebbp protein [Mus musculus]' . . . . . 100.00 1589 100.00 100.00 1.56e-51 . . . . 5327 2 . no PRF 1923401A . 'protein CBP' . . . . . 100.00 2441 98.95 98.95 4.37e-44 . . . . 5327 2 . no REF NP_001020603 . 'CREB binding protein [Mus musculus]' . . . . . 100.00 2441 100.00 100.00 4.12e-45 . . . . 5327 2 . no REF NP_001073315 . 'CREB binding protein isoform b [Homo sapiens]' . . . . . 64.21 2404 98.36 98.36 4.62e-22 . . . . 5327 2 . no REF NP_004371 . 'CREB binding protein isoform a [Homo sapiens]' . . . . . 100.00 2442 100.00 100.00 4.02e-45 . . . . 5327 2 . no REF NP_596872 . 'CREB binding protein [Rattus norvegicus]' . . . . . 100.00 2442 100.00 100.00 3.98e-45 . . . . 5327 2 . no REF XP_001095225 . 'PREDICTED: CREB binding protein [Macaca mulatta]' . . . . . 100.00 2442 100.00 100.00 4.19e-45 . . . . 5327 2 . no SWISS-PROT P45481 . 'CREB-binding protein' . . . . . 100.00 2441 98.95 98.95 4.55e-44 . . . . 5327 2 . no SWISS-PROT Q92793 . 'CREB-binding protein' . . . . . 100.00 2442 100.00 100.00 4.02e-45 . . . . 5327 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CBP abbreviation 5327 2 'CREB-binding protein' common 5327 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 5327 2 2 . ASP . 5327 2 3 . PRO . 5327 2 4 . GLU . 5327 2 5 . LYS . 5327 2 6 . ARG . 5327 2 7 . LYS . 5327 2 8 . LEU . 5327 2 9 . ILE . 5327 2 10 . GLN . 5327 2 11 . GLN . 5327 2 12 . GLN . 5327 2 13 . LEU . 5327 2 14 . VAL . 5327 2 15 . LEU . 5327 2 16 . LEU . 5327 2 17 . LEU . 5327 2 18 . HIS . 5327 2 19 . ALA . 5327 2 20 . HIS . 5327 2 21 . LYS . 5327 2 22 . CYS . 5327 2 23 . GLN . 5327 2 24 . ARG . 5327 2 25 . ARG . 5327 2 26 . GLU . 5327 2 27 . GLN . 5327 2 28 . ALA . 5327 2 29 . ASN . 5327 2 30 . GLY . 5327 2 31 . GLU . 5327 2 32 . VAL . 5327 2 33 . ARG . 5327 2 34 . ALA . 5327 2 35 . CYS . 5327 2 36 . SER . 5327 2 37 . LEU . 5327 2 38 . PRO . 5327 2 39 . HIS . 5327 2 40 . CYS . 5327 2 41 . ARG . 5327 2 42 . THR . 5327 2 43 . MET . 5327 2 44 . LYS . 5327 2 45 . ASN . 5327 2 46 . VAL . 5327 2 47 . LEU . 5327 2 48 . ASN . 5327 2 49 . HIS . 5327 2 50 . MET . 5327 2 51 . THR . 5327 2 52 . HIS . 5327 2 53 . CYS . 5327 2 54 . GLN . 5327 2 55 . ALA . 5327 2 56 . GLY . 5327 2 57 . LYS . 5327 2 58 . ALA . 5327 2 59 . CYS . 5327 2 60 . GLN . 5327 2 61 . VAL . 5327 2 62 . ALA . 5327 2 63 . HIS . 5327 2 64 . CYS . 5327 2 65 . ALA . 5327 2 66 . SER . 5327 2 67 . SER . 5327 2 68 . ARG . 5327 2 69 . GLN . 5327 2 70 . ILE . 5327 2 71 . ILE . 5327 2 72 . SER . 5327 2 73 . HIS . 5327 2 74 . TRP . 5327 2 75 . LYS . 5327 2 76 . ASN . 5327 2 77 . CYS . 5327 2 78 . THR . 5327 2 79 . ARG . 5327 2 80 . HIS . 5327 2 81 . ASP . 5327 2 82 . CYS . 5327 2 83 . PRO . 5327 2 84 . VAL . 5327 2 85 . CYS . 5327 2 86 . LEU . 5327 2 87 . PRO . 5327 2 88 . LEU . 5327 2 89 . LYS . 5327 2 90 . ASN . 5327 2 91 . ALA . 5327 2 92 . SER . 5327 2 93 . ASP . 5327 2 94 . LYS . 5327 2 95 . ARG . 5327 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 5327 2 . ASP 2 2 5327 2 . PRO 3 3 5327 2 . GLU 4 4 5327 2 . LYS 5 5 5327 2 . ARG 6 6 5327 2 . LYS 7 7 5327 2 . LEU 8 8 5327 2 . ILE 9 9 5327 2 . GLN 10 10 5327 2 . GLN 11 11 5327 2 . GLN 12 12 5327 2 . LEU 13 13 5327 2 . VAL 14 14 5327 2 . LEU 15 15 5327 2 . LEU 16 16 5327 2 . LEU 17 17 5327 2 . HIS 18 18 5327 2 . ALA 19 19 5327 2 . HIS 20 20 5327 2 . LYS 21 21 5327 2 . CYS 22 22 5327 2 . GLN 23 23 5327 2 . ARG 24 24 5327 2 . ARG 25 25 5327 2 . GLU 26 26 5327 2 . GLN 27 27 5327 2 . ALA 28 28 5327 2 . ASN 29 29 5327 2 . GLY 30 30 5327 2 . GLU 31 31 5327 2 . VAL 32 32 5327 2 . ARG 33 33 5327 2 . ALA 34 34 5327 2 . CYS 35 35 5327 2 . SER 36 36 5327 2 . LEU 37 37 5327 2 . PRO 38 38 5327 2 . HIS 39 39 5327 2 . CYS 40 40 5327 2 . ARG 41 41 5327 2 . THR 42 42 5327 2 . MET 43 43 5327 2 . LYS 44 44 5327 2 . ASN 45 45 5327 2 . VAL 46 46 5327 2 . LEU 47 47 5327 2 . ASN 48 48 5327 2 . HIS 49 49 5327 2 . MET 50 50 5327 2 . THR 51 51 5327 2 . HIS 52 52 5327 2 . CYS 53 53 5327 2 . GLN 54 54 5327 2 . ALA 55 55 5327 2 . GLY 56 56 5327 2 . LYS 57 57 5327 2 . ALA 58 58 5327 2 . CYS 59 59 5327 2 . GLN 60 60 5327 2 . VAL 61 61 5327 2 . ALA 62 62 5327 2 . HIS 63 63 5327 2 . CYS 64 64 5327 2 . ALA 65 65 5327 2 . SER 66 66 5327 2 . SER 67 67 5327 2 . ARG 68 68 5327 2 . GLN 69 69 5327 2 . ILE 70 70 5327 2 . ILE 71 71 5327 2 . SER 72 72 5327 2 . HIS 73 73 5327 2 . TRP 74 74 5327 2 . LYS 75 75 5327 2 . ASN 76 76 5327 2 . CYS 77 77 5327 2 . THR 78 78 5327 2 . ARG 79 79 5327 2 . HIS 80 80 5327 2 . ASP 81 81 5327 2 . CYS 82 82 5327 2 . PRO 83 83 5327 2 . VAL 84 84 5327 2 . CYS 85 85 5327 2 . LEU 86 86 5327 2 . PRO 87 87 5327 2 . LEU 88 88 5327 2 . LYS 89 89 5327 2 . ASN 90 90 5327 2 . ALA 91 91 5327 2 . SER 92 92 5327 2 . ASP 93 93 5327 2 . LYS 94 94 5327 2 . ARG 95 95 5327 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 5327 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 5327 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5327 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Hif-1alpha . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 5327 1 2 2 $CBP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 5327 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 5327 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Hif-1alpha . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . 5327 1 2 2 $CBP . 'recombinant technology' . . . . . . . . . . . . . . . . 5327 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 5327 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 5327 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 5327 ZN [Zn++] SMILES CACTVS 3.341 5327 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 5327 ZN [Zn+2] SMILES ACDLabs 10.04 5327 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 5327 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5327 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 5327 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5327 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5327 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5327 _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 'hypoxia induced factor 1 alpha' . . . 1 $Hif-1alpha . . 2 . . mM . . . . 5327 1 2 'CREB-binding protein' '[U-13C; U-15N]' . . 2 $CBP . . 1 . . mM . . . . 5327 1 3 'ZINC (II) ION' . . . 3 $ZN . . 3 . . mM . . . . 5327 1 4 D-TRIS . . . . . . . 10 . . mM . . . . 5327 1 5 D-DTT . . . . . . . 10 . . mM . . . . 5327 1 6 NaN3 . . . . . . . 0.02 . . % . . . . 5327 1 7 ZNSO4 . . . . . . . 0.5 . . mM . . . . 5327 1 8 H2O . . . . . . . 90 . . % . . . . 5327 1 9 D2O . . . . . . . 10 . . % . . . . 5327 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 5327 _Sample.ID 2 _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 'hypoxia induced factor 1 alpha' . . . 1 $Hif-1alpha . . 2 . . mM . . . . 5327 2 2 'CREB-binding protein' '[U-13C; U-15N]' . . 2 $CBP . . 1 . . mM . . . . 5327 2 3 'ZINC (II) ION' . . . 3 $ZN . . 3 . . mM . . . . 5327 2 4 D-TRIS . . . . . . . 10 . . mM . . . . 5327 2 5 D-DTT . . . . . . . 10 . . mM . . . . 5327 2 6 NaN3 . . . . . . . 0.02 . . % . . . . 5327 2 7 ZNSO4 . . . . . . . 0.5 . . mM . . . . 5327 2 8 D2O . . . . . . . 100 . . % . . . . 5327 2 stop_ save_ save_Sample_3 _Sample.Sf_category sample _Sample.Sf_framecode Sample_3 _Sample.Entry_ID 5327 _Sample.ID 3 _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 'hypoxia induced factor 1 alpha' . . . 1 $Hif-1alpha . . 2 . . mM . . . . 5327 3 2 'CREB-binding protein' [U-15N] . . 2 $CBP . . 1 . . mM . . . . 5327 3 3 'ZINC (II) ION' . . . 3 $ZN . . 3 . . mM . . . . 5327 3 4 D-TRIS . . . . . . . 10 . . mM . . . . 5327 3 5 D-DTT . . . . . . . 10 . . mM . . . . 5327 3 6 NaN3 . . . . . . . 0.02 . . % . . . . 5327 3 7 ZNSO4 . . . . . . . 0.5 . . mM . . . . 5327 3 8 H2O . . . . . . . 90 . . % . . . . 5327 3 9 D2O . . . . . . . 10 . . % . . . . 5327 3 stop_ save_ save_Sample_4 _Sample.Sf_category sample _Sample.Sf_framecode Sample_4 _Sample.Entry_ID 5327 _Sample.ID 4 _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 'hypoxia induced factor 1 alpha' '[U-13C; U-15N]' . . 1 $Hif-1alpha . . 1 . . mM . . . . 5327 4 2 'CREB-binding protein' . . . 2 $CBP . . 2 . . mM . . . . 5327 4 3 'ZINC (II) ION' . . . 3 $ZN . . 6 . . mM . . . . 5327 4 4 D-TRIS . . . . . . . 10 . . mM . . . . 5327 4 5 D-DTT . . . . . . . 10 . . mM . . . . 5327 4 6 NaN3 . . . . . . . 0.02 . . % . . . . 5327 4 7 ZNSO4 . . . . . . . 0.5 . . mM . . . . 5327 4 8 H2O . . . . . . . 90 . . % . . . . 5327 4 9 D2O . . . . . . . 10 . . % . . . . 5327 4 stop_ save_ save_Sample_5 _Sample.Sf_category sample _Sample.Sf_framecode Sample_5 _Sample.Entry_ID 5327 _Sample.ID 5 _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 'hypoxia induced factor 1 alpha' '[U-13C; U-15N]' . . 1 $Hif-1alpha . . 1 . . mM . . . . 5327 5 2 'CREB-binding protein' . . . 2 $CBP . . 2 . . mM . . . . 5327 5 3 'ZINC (II) ION' . . . 3 $ZN . . 6 . . mM . . . . 5327 5 4 D-TRIS . . . . . . . 10 . . mM . . . . 5327 5 5 D-DTT . . . . . . . 10 . . mM . . . . 5327 5 6 NaN3 . . . . . . . 0.02 . . % . . . . 5327 5 7 ZNSO4 . . . . . . . 0.5 . . mM . . . . 5327 5 8 D2O . . . . . . . 100 . . % . . . . 5327 5 stop_ save_ save_Sample_6 _Sample.Sf_category sample _Sample.Sf_framecode Sample_6 _Sample.Entry_ID 5327 _Sample.ID 6 _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 'hypoxia induced factor 1 alpha' [U-15N] . . 1 $Hif-1alpha . . 1 . . mM . . . . 5327 6 2 'CREB-binding protein' . . . 2 $CBP . . 2 . . mM . . . . 5327 6 3 'ZINC (II) ION' . . . 3 $ZN . . 6 . . mM . . . . 5327 6 4 D-TRIS . . . . . . . 10 . . mM . . . . 5327 6 5 D-DTT . . . . . . . 10 . . mM . . . . 5327 6 6 NaN3 . . . . . . . 0.02 . . % . . . . 5327 6 7 ZNSO4 . . . . . . . 0.5 . . mM . . . . 5327 6 8 H2O . . . . . . . 90 . . % . . . . 5327 6 9 D2O . . . . . . . 10 . . % . . . . 5327 6 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5327 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 0.02 M 5327 1 pH 6.1 0.2 n/a 5327 1 temperature 298 1 K 5327 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5327 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5327 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5327 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 BRUKER DRX . 800 . . . 5327 1 2 NMR_spectrometer_2 BRUKER DRX . 600 . . . 5327 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5327 _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 NOESY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5327 1 2 '1H-13C NOESY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5327 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5327 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 5327 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 5327 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5327 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5327 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N NOESY' . . . 5327 1 2 '1H-13C NOESY' . . . 5327 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP N N 15 122.533 0.13 . 1 . . . . . . . . . 5327 1 2 . 1 1 2 2 ASP H H 1 8.755 0.012 . 1 . . . . . . . . . 5327 1 3 . 1 1 2 2 ASP CA C 13 54.573 0.06 . 1 . . . . . . . . . 5327 1 4 . 1 1 2 2 ASP HA H 1 4.883 0.012 . 1 . . . . . . . . . 5327 1 5 . 1 1 2 2 ASP CB C 13 41.611 0.06 . 1 . . . . . . . . . 5327 1 6 . 1 1 2 2 ASP HB2 H 1 2.929 0.012 . 2 . . . . . . . . . 5327 1 7 . 1 1 2 2 ASP HB3 H 1 2.849 0.012 . 2 . . . . . . . . . 5327 1 8 . 1 1 3 3 LEU N N 15 123.232 0.13 . 1 . . . . . . . . . 5327 1 9 . 1 1 3 3 LEU H H 1 8.547 0.012 . 1 . . . . . . . . . 5327 1 10 . 1 1 3 3 LEU CA C 13 56.214 0.06 . 1 . . . . . . . . . 5327 1 11 . 1 1 3 3 LEU HA H 1 4.410 0.012 . 1 . . . . . . . . . 5327 1 12 . 1 1 3 3 LEU CB C 13 42.425 0.06 . 1 . . . . . . . . . 5327 1 13 . 1 1 3 3 LEU HB2 H 1 1.811 0.012 . 1 . . . . . . . . . 5327 1 14 . 1 1 3 3 LEU CG C 13 27.127 0.06 . 1 . . . . . . . . . 5327 1 15 . 1 1 3 3 LEU HG H 1 1.820 0.012 . 1 . . . . . . . . . 5327 1 16 . 1 1 3 3 LEU CD1 C 13 24.975 0.06 . 2 . . . . . . . . . 5327 1 17 . 1 1 3 3 LEU HD11 H 1 1.104 0.012 . 1 . . . . . . . . . 5327 1 18 . 1 1 3 3 LEU HD12 H 1 1.104 0.012 . 1 . . . . . . . . . 5327 1 19 . 1 1 3 3 LEU HD13 H 1 1.104 0.012 . 1 . . . . . . . . . 5327 1 20 . 1 1 3 3 LEU CD2 C 13 24.010 0.06 . 2 . . . . . . . . . 5327 1 21 . 1 1 3 3 LEU HD21 H 1 1.041 0.012 . 1 . . . . . . . . . 5327 1 22 . 1 1 3 3 LEU HD22 H 1 1.041 0.012 . 1 . . . . . . . . . 5327 1 23 . 1 1 3 3 LEU HD23 H 1 1.041 0.012 . 1 . . . . . . . . . 5327 1 24 . 1 1 4 4 ALA N N 15 123.475 0.13 . 1 . . . . . . . . . 5327 1 25 . 1 1 4 4 ALA H H 1 8.486 0.012 . 1 . . . . . . . . . 5327 1 26 . 1 1 4 4 ALA CA C 13 53.621 0.06 . 1 . . . . . . . . . 5327 1 27 . 1 1 4 4 ALA HA H 1 4.381 0.012 . 1 . . . . . . . . . 5327 1 28 . 1 1 4 4 ALA CB C 13 19.046 0.06 . 1 . . . . . . . . . 5327 1 29 . 1 1 4 4 ALA HB1 H 1 1.586 0.012 . 1 . . . . . . . . . 5327 1 30 . 1 1 4 4 ALA HB2 H 1 1.586 0.012 . 1 . . . . . . . . . 5327 1 31 . 1 1 4 4 ALA HB3 H 1 1.586 0.012 . 1 . . . . . . . . . 5327 1 32 . 1 1 5 5 CYS N N 15 117.306 0.13 . 1 . . . . . . . . . 5327 1 33 . 1 1 5 5 CYS H H 1 8.287 0.012 . 1 . . . . . . . . . 5327 1 34 . 1 1 5 5 CYS CA C 13 59.578 0.06 . 1 . . . . . . . . . 5327 1 35 . 1 1 5 5 CYS HA H 1 4.540 0.012 . 1 . . . . . . . . . 5327 1 36 . 1 1 5 5 CYS CB C 13 27.793 0.06 . 1 . . . . . . . . . 5327 1 37 . 1 1 5 5 CYS HB2 H 1 3.132 0.012 . 1 . . . . . . . . . 5327 1 38 . 1 1 6 6 ARG N N 15 122.776 0.13 . 1 . . . . . . . . . 5327 1 39 . 1 1 6 6 ARG H H 1 8.386 0.012 . 1 . . . . . . . . . 5327 1 40 . 1 1 6 6 ARG CA C 13 57.165 0.06 . 1 . . . . . . . . . 5327 1 41 . 1 1 6 6 ARG HA H 1 4.488 0.012 . 1 . . . . . . . . . 5327 1 42 . 1 1 6 6 ARG CB C 13 30.830 0.06 . 1 . . . . . . . . . 5327 1 43 . 1 1 6 6 ARG HB2 H 1 2.043 0.012 . 2 . . . . . . . . . 5327 1 44 . 1 1 6 6 ARG HB3 H 1 2.002 0.012 . 2 . . . . . . . . . 5327 1 45 . 1 1 6 6 ARG CG C 13 27.505 0.06 . 1 . . . . . . . . . 5327 1 46 . 1 1 6 6 ARG HG2 H 1 1.815 0.012 . 1 . . . . . . . . . 5327 1 47 . 1 1 6 6 ARG CD C 13 43.600 0.06 . 1 . . . . . . . . . 5327 1 48 . 1 1 6 6 ARG HD2 H 1 3.364 0.012 . 1 . . . . . . . . . 5327 1 49 . 1 1 6 6 ARG NE N 15 84.706 0.13 . 1 . . . . . . . . . 5327 1 50 . 1 1 6 6 ARG HE H 1 7.410 0.012 . 1 . . . . . . . . . 5327 1 51 . 1 1 7 7 LEU N N 15 122.096 0.13 . 1 . . . . . . . . . 5327 1 52 . 1 1 7 7 LEU H H 1 8.365 0.012 . 1 . . . . . . . . . 5327 1 53 . 1 1 7 7 LEU CA C 13 55.650 0.06 . 1 . . . . . . . . . 5327 1 54 . 1 1 7 7 LEU HA H 1 4.508 0.012 . 1 . . . . . . . . . 5327 1 55 . 1 1 7 7 LEU CB C 13 42.450 0.06 . 1 . . . . . . . . . 5327 1 56 . 1 1 7 7 LEU HB2 H 1 1.837 0.012 . 2 . . . . . . . . . 5327 1 57 . 1 1 7 7 LEU HB3 H 1 1.722 0.012 . 2 . . . . . . . . . 5327 1 58 . 1 1 7 7 LEU CG C 13 27.209 0.06 . 1 . . . . . . . . . 5327 1 59 . 1 1 7 7 LEU HG H 1 1.822 0.012 . 1 . . . . . . . . . 5327 1 60 . 1 1 7 7 LEU CD1 C 13 25.353 0.06 . 2 . . . . . . . . . 5327 1 61 . 1 1 7 7 LEU HD11 H 1 1.077 0.012 . 1 . . . . . . . . . 5327 1 62 . 1 1 7 7 LEU HD12 H 1 1.077 0.012 . 1 . . . . . . . . . 5327 1 63 . 1 1 7 7 LEU HD13 H 1 1.077 0.012 . 1 . . . . . . . . . 5327 1 64 . 1 1 7 7 LEU CD2 C 13 23.554 0.06 . 2 . . . . . . . . . 5327 1 65 . 1 1 7 7 LEU HD21 H 1 1.016 0.012 . 1 . . . . . . . . . 5327 1 66 . 1 1 7 7 LEU HD22 H 1 1.016 0.012 . 1 . . . . . . . . . 5327 1 67 . 1 1 7 7 LEU HD23 H 1 1.016 0.012 . 1 . . . . . . . . . 5327 1 68 . 1 1 8 8 LEU N N 15 121.898 0.13 . 1 . . . . . . . . . 5327 1 69 . 1 1 8 8 LEU H H 1 8.298 0.012 . 1 . . . . . . . . . 5327 1 70 . 1 1 8 8 LEU CA C 13 55.689 0.06 . 1 . . . . . . . . . 5327 1 71 . 1 1 8 8 LEU HA H 1 4.492 0.012 . 1 . . . . . . . . . 5327 1 72 . 1 1 8 8 LEU CB C 13 42.440 0.06 . 1 . . . . . . . . . 5327 1 73 . 1 1 8 8 LEU HB2 H 1 1.880 0.012 . 2 . . . . . . . . . 5327 1 74 . 1 1 8 8 LEU HB3 H 1 1.760 0.012 . 2 . . . . . . . . . 5327 1 75 . 1 1 8 8 LEU CG C 13 27.181 0.06 . 1 . . . . . . . . . 5327 1 76 . 1 1 8 8 LEU HG H 1 1.810 0.012 . 1 . . . . . . . . . 5327 1 77 . 1 1 8 8 LEU CD1 C 13 25.310 0.06 . 2 . . . . . . . . . 5327 1 78 . 1 1 8 8 LEU HD11 H 1 1.065 0.012 . 1 . . . . . . . . . 5327 1 79 . 1 1 8 8 LEU HD12 H 1 1.065 0.012 . 1 . . . . . . . . . 5327 1 80 . 1 1 8 8 LEU HD13 H 1 1.065 0.012 . 1 . . . . . . . . . 5327 1 81 . 1 1 8 8 LEU CD2 C 13 23.589 0.06 . 2 . . . . . . . . . 5327 1 82 . 1 1 8 8 LEU HD21 H 1 1.026 0.012 . 1 . . . . . . . . . 5327 1 83 . 1 1 8 8 LEU HD22 H 1 1.026 0.012 . 1 . . . . . . . . . 5327 1 84 . 1 1 8 8 LEU HD23 H 1 1.026 0.012 . 1 . . . . . . . . . 5327 1 85 . 1 1 9 9 GLY N N 15 109.198 0.13 . 1 . . . . . . . . . 5327 1 86 . 1 1 9 9 GLY H H 1 8.488 0.012 . 1 . . . . . . . . . 5327 1 87 . 1 1 9 9 GLY CA C 13 45.759 0.06 . 1 . . . . . . . . . 5327 1 88 . 1 1 9 9 GLY HA2 H 1 4.119 0.012 . 1 . . . . . . . . . 5327 1 89 . 1 1 10 10 GLN N N 15 119.707 0.13 . 1 . . . . . . . . . 5327 1 90 . 1 1 10 10 GLN H H 1 8.306 0.012 . 1 . . . . . . . . . 5327 1 91 . 1 1 10 10 GLN CA C 13 55.988 0.06 . 1 . . . . . . . . . 5327 1 92 . 1 1 10 10 GLN HA H 1 4.562 0.012 . 1 . . . . . . . . . 5327 1 93 . 1 1 10 10 GLN CB C 13 29.869 0.06 . 1 . . . . . . . . . 5327 1 94 . 1 1 10 10 GLN HB2 H 1 2.178 0.012 . 2 . . . . . . . . . 5327 1 95 . 1 1 10 10 GLN HB3 H 1 2.320 0.012 . 2 . . . . . . . . . 5327 1 96 . 1 1 10 10 GLN CG C 13 34.102 0.06 . 1 . . . . . . . . . 5327 1 97 . 1 1 10 10 GLN HG2 H 1 2.528 0.012 . 1 . . . . . . . . . 5327 1 98 . 1 1 10 10 GLN NE2 N 15 112.502 0.13 . 1 . . . . . . . . . 5327 1 99 . 1 1 10 10 GLN HE21 H 1 7.731 0.012 . 2 . . . . . . . . . 5327 1 100 . 1 1 10 10 GLN HE22 H 1 7.012 0.012 . 2 . . . . . . . . . 5327 1 101 . 1 1 11 11 SER N N 15 117.196 0.13 . 1 . . . . . . . . . 5327 1 102 . 1 1 11 11 SER H H 1 8.585 0.012 . 1 . . . . . . . . . 5327 1 103 . 1 1 11 11 SER CA C 13 58.754 0.06 . 1 . . . . . . . . . 5327 1 104 . 1 1 11 11 SER HA H 1 4.625 0.012 . 1 . . . . . . . . . 5327 1 105 . 1 1 11 11 SER CB C 13 63.939 0.06 . 1 . . . . . . . . . 5327 1 106 . 1 1 11 11 SER HB2 H 1 4.070 0.012 . 1 . . . . . . . . . 5327 1 107 . 1 1 12 12 MET N N 15 122.351 0.13 . 1 . . . . . . . . . 5327 1 108 . 1 1 12 12 MET H H 1 8.625 0.012 . 1 . . . . . . . . . 5327 1 109 . 1 1 12 12 MET CA C 13 55.759 0.06 . 1 . . . . . . . . . 5327 1 110 . 1 1 12 12 MET HA H 1 4.701 0.012 . 1 . . . . . . . . . 5327 1 111 . 1 1 12 12 MET CB C 13 33.270 0.06 . 1 . . . . . . . . . 5327 1 112 . 1 1 12 12 MET HB2 H 1 2.178 0.012 . 2 . . . . . . . . . 5327 1 113 . 1 1 12 12 MET HB3 H 1 2.277 0.012 . 2 . . . . . . . . . 5327 1 114 . 1 1 12 12 MET CG C 13 32.293 0.06 . 1 . . . . . . . . . 5327 1 115 . 1 1 12 12 MET HG2 H 1 2.770 0.012 . 2 . . . . . . . . . 5327 1 116 . 1 1 12 12 MET HG3 H 1 2.697 0.012 . 2 . . . . . . . . . 5327 1 117 . 1 1 12 12 MET CE C 13 17.292 0.06 . 1 . . . . . . . . . 5327 1 118 . 1 1 12 12 MET HE1 H 1 2.241 0.012 . 1 . . . . . . . . . 5327 1 119 . 1 1 12 12 MET HE2 H 1 2.241 0.012 . 1 . . . . . . . . . 5327 1 120 . 1 1 12 12 MET HE3 H 1 2.241 0.012 . 1 . . . . . . . . . 5327 1 121 . 1 1 13 13 ASP N N 15 121.239 0.13 . 1 . . . . . . . . . 5327 1 122 . 1 1 13 13 ASP H H 1 8.476 0.012 . 1 . . . . . . . . . 5327 1 123 . 1 1 13 13 ASP CA C 13 54.576 0.06 . 1 . . . . . . . . . 5327 1 124 . 1 1 13 13 ASP HA H 1 4.778 0.012 . 1 . . . . . . . . . 5327 1 125 . 1 1 13 13 ASP CB C 13 41.516 0.06 . 1 . . . . . . . . . 5327 1 126 . 1 1 13 13 ASP HB2 H 1 2.892 0.012 . 1 . . . . . . . . . 5327 1 127 . 1 1 14 14 GLU N N 15 121.678 0.13 . 1 . . . . . . . . . 5327 1 128 . 1 1 14 14 GLU H H 1 8.657 0.012 . 1 . . . . . . . . . 5327 1 129 . 1 1 14 14 GLU CA C 13 57.131 0.06 . 1 . . . . . . . . . 5327 1 130 . 1 1 14 14 GLU HA H 1 4.484 0.012 . 1 . . . . . . . . . 5327 1 131 . 1 1 14 14 GLU CB C 13 30.226 0.06 . 1 . . . . . . . . . 5327 1 132 . 1 1 14 14 GLU HB2 H 1 2.160 0.012 . 2 . . . . . . . . . 5327 1 133 . 1 1 14 14 GLU HB3 H 1 2.319 0.012 . 2 . . . . . . . . . 5327 1 134 . 1 1 14 14 GLU CG C 13 36.464 0.06 . 1 . . . . . . . . . 5327 1 135 . 1 1 14 14 GLU HG2 H 1 2.455 0.012 . 1 . . . . . . . . . 5327 1 136 . 1 1 15 15 SER N N 15 116.713 0.13 . 1 . . . . . . . . . 5327 1 137 . 1 1 15 15 SER H H 1 8.597 0.012 . 1 . . . . . . . . . 5327 1 138 . 1 1 15 15 SER CA C 13 59.187 0.06 . 1 . . . . . . . . . 5327 1 139 . 1 1 15 15 SER HA H 1 4.636 0.012 . 1 . . . . . . . . . 5327 1 140 . 1 1 15 15 SER CB C 13 64.127 0.06 . 1 . . . . . . . . . 5327 1 141 . 1 1 15 15 SER HB2 H 1 4.158 0.012 . 2 . . . . . . . . . 5327 1 142 . 1 1 15 15 SER HB3 H 1 4.122 0.012 . 2 . . . . . . . . . 5327 1 143 . 1 1 16 16 GLY N N 15 110.263 0.13 . 1 . . . . . . . . . 5327 1 144 . 1 1 16 16 GLY H H 1 8.524 0.012 . 1 . . . . . . . . . 5327 1 145 . 1 1 16 16 GLY CA C 13 45.358 0.06 . 1 . . . . . . . . . 5327 1 146 . 1 1 16 16 GLY HA2 H 1 4.172 0.012 . 1 . . . . . . . . . 5327 1 147 . 1 1 17 17 LEU N N 15 124.353 0.13 . 1 . . . . . . . . . 5327 1 148 . 1 1 17 17 LEU H H 1 8.209 0.012 . 1 . . . . . . . . . 5327 1 149 . 1 1 17 17 LEU CA C 13 52.330 0.06 . 1 . . . . . . . . . 5327 1 150 . 1 1 17 17 LEU HA H 1 4.473 0.012 . 1 . . . . . . . . . 5327 1 151 . 1 1 17 17 LEU CB C 13 42.650 0.06 . 1 . . . . . . . . . 5327 1 152 . 1 1 17 17 LEU HB2 H 1 1.567 0.012 . 2 . . . . . . . . . 5327 1 153 . 1 1 17 17 LEU HB3 H 1 0.749 0.012 . 2 . . . . . . . . . 5327 1 154 . 1 1 17 17 LEU CG C 13 26.303 0.06 . 1 . . . . . . . . . 5327 1 155 . 1 1 17 17 LEU HG H 1 1.264 0.012 . 1 . . . . . . . . . 5327 1 156 . 1 1 17 17 LEU CD1 C 13 24.921 0.06 . 2 . . . . . . . . . 5327 1 157 . 1 1 17 17 LEU HD11 H 1 0.392 0.012 . 1 . . . . . . . . . 5327 1 158 . 1 1 17 17 LEU HD12 H 1 0.392 0.012 . 1 . . . . . . . . . 5327 1 159 . 1 1 17 17 LEU HD13 H 1 0.392 0.012 . 1 . . . . . . . . . 5327 1 160 . 1 1 17 17 LEU CD2 C 13 24.399 0.06 . 2 . . . . . . . . . 5327 1 161 . 1 1 17 17 LEU HD21 H 1 0.581 0.012 . 1 . . . . . . . . . 5327 1 162 . 1 1 17 17 LEU HD22 H 1 0.581 0.012 . 1 . . . . . . . . . 5327 1 163 . 1 1 17 17 LEU HD23 H 1 0.581 0.012 . 1 . . . . . . . . . 5327 1 164 . 1 1 18 18 PRO CA C 13 63.228 0.06 . 1 . . . . . . . . . 5327 1 165 . 1 1 18 18 PRO HA H 1 4.487 0.012 . 1 . . . . . . . . . 5327 1 166 . 1 1 18 18 PRO CB C 13 32.188 0.06 . 1 . . . . . . . . . 5327 1 167 . 1 1 18 18 PRO HB2 H 1 2.425 0.012 . 2 . . . . . . . . . 5327 1 168 . 1 1 18 18 PRO HB3 H 1 1.890 0.012 . 2 . . . . . . . . . 5327 1 169 . 1 1 18 18 PRO CG C 13 28.100 0.06 . 1 . . . . . . . . . 5327 1 170 . 1 1 18 18 PRO HG2 H 1 2.250 0.012 . 2 . . . . . . . . . 5327 1 171 . 1 1 18 18 PRO HG3 H 1 2.153 0.012 . 2 . . . . . . . . . 5327 1 172 . 1 1 18 18 PRO CD C 13 50.907 0.06 . 1 . . . . . . . . . 5327 1 173 . 1 1 18 18 PRO HD2 H 1 4.046 0.012 . 2 . . . . . . . . . 5327 1 174 . 1 1 18 18 PRO HD3 H 1 3.586 0.012 . 2 . . . . . . . . . 5327 1 175 . 1 1 19 19 GLN N N 15 121.741 0.13 . 1 . . . . . . . . . 5327 1 176 . 1 1 19 19 GLN H H 1 8.708 0.012 . 1 . . . . . . . . . 5327 1 177 . 1 1 19 19 GLN CA C 13 55.383 0.06 . 1 . . . . . . . . . 5327 1 178 . 1 1 19 19 GLN HA H 1 4.668 0.012 . 1 . . . . . . . . . 5327 1 179 . 1 1 19 19 GLN CB C 13 28.828 0.06 . 1 . . . . . . . . . 5327 1 180 . 1 1 19 19 GLN HB2 H 1 2.082 0.012 . 2 . . . . . . . . . 5327 1 181 . 1 1 19 19 GLN HB3 H 1 2.017 0.012 . 2 . . . . . . . . . 5327 1 182 . 1 1 19 19 GLN CG C 13 34.552 0.06 . 1 . . . . . . . . . 5327 1 183 . 1 1 19 19 GLN HG2 H 1 2.405 0.012 . 2 . . . . . . . . . 5327 1 184 . 1 1 19 19 GLN HG3 H 1 2.045 0.012 . 2 . . . . . . . . . 5327 1 185 . 1 1 19 19 GLN NE2 N 15 112.550 0.13 . 1 . . . . . . . . . 5327 1 186 . 1 1 19 19 GLN HE21 H 1 7.789 0.012 . 2 . . . . . . . . . 5327 1 187 . 1 1 19 19 GLN HE22 H 1 7.049 0.012 . 2 . . . . . . . . . 5327 1 188 . 1 1 20 20 LEU N N 15 128.560 0.13 . 1 . . . . . . . . . 5327 1 189 . 1 1 20 20 LEU H H 1 9.408 0.012 . 1 . . . . . . . . . 5327 1 190 . 1 1 20 20 LEU CA C 13 53.702 0.06 . 1 . . . . . . . . . 5327 1 191 . 1 1 20 20 LEU HA H 1 4.927 0.012 . 1 . . . . . . . . . 5327 1 192 . 1 1 20 20 LEU CB C 13 44.072 0.06 . 1 . . . . . . . . . 5327 1 193 . 1 1 20 20 LEU HB2 H 1 1.743 0.012 . 2 . . . . . . . . . 5327 1 194 . 1 1 20 20 LEU HB3 H 1 1.535 0.012 . 2 . . . . . . . . . 5327 1 195 . 1 1 20 20 LEU CG C 13 27.193 0.06 . 1 . . . . . . . . . 5327 1 196 . 1 1 20 20 LEU HG H 1 1.906 0.012 . 1 . . . . . . . . . 5327 1 197 . 1 1 20 20 LEU CD1 C 13 26.802 0.06 . 2 . . . . . . . . . 5327 1 198 . 1 1 20 20 LEU HD11 H 1 0.927 0.012 . 1 . . . . . . . . . 5327 1 199 . 1 1 20 20 LEU HD12 H 1 0.927 0.012 . 1 . . . . . . . . . 5327 1 200 . 1 1 20 20 LEU HD13 H 1 0.927 0.012 . 1 . . . . . . . . . 5327 1 201 . 1 1 20 20 LEU CD2 C 13 23.464 0.06 . 2 . . . . . . . . . 5327 1 202 . 1 1 20 20 LEU HD21 H 1 1.013 0.012 . 1 . . . . . . . . . 5327 1 203 . 1 1 20 20 LEU HD22 H 1 1.013 0.012 . 1 . . . . . . . . . 5327 1 204 . 1 1 20 20 LEU HD23 H 1 1.013 0.012 . 1 . . . . . . . . . 5327 1 205 . 1 1 21 21 THR N N 15 113.007 0.13 . 1 . . . . . . . . . 5327 1 206 . 1 1 21 21 THR H H 1 9.441 0.012 . 1 . . . . . . . . . 5327 1 207 . 1 1 21 21 THR CA C 13 60.353 0.06 . 1 . . . . . . . . . 5327 1 208 . 1 1 21 21 THR HA H 1 4.789 0.012 . 1 . . . . . . . . . 5327 1 209 . 1 1 21 21 THR CB C 13 72.010 0.06 . 1 . . . . . . . . . 5327 1 210 . 1 1 21 21 THR HB H 1 4.935 0.012 . 1 . . . . . . . . . 5327 1 211 . 1 1 21 21 THR CG2 C 13 22.137 0.06 . 1 . . . . . . . . . 5327 1 212 . 1 1 21 21 THR HG21 H 1 1.559 0.012 . 1 . . . . . . . . . 5327 1 213 . 1 1 21 21 THR HG22 H 1 1.559 0.012 . 1 . . . . . . . . . 5327 1 214 . 1 1 21 21 THR HG23 H 1 1.559 0.012 . 1 . . . . . . . . . 5327 1 215 . 1 1 22 22 SER N N 15 117.449 0.13 . 1 . . . . . . . . . 5327 1 216 . 1 1 22 22 SER H H 1 9.316 0.012 . 1 . . . . . . . . . 5327 1 217 . 1 1 22 22 SER CA C 13 62.329 0.06 . 1 . . . . . . . . . 5327 1 218 . 1 1 22 22 SER HA H 1 4.111 0.012 . 1 . . . . . . . . . 5327 1 219 . 1 1 22 22 SER CB C 13 62.369 0.06 . 1 . . . . . . . . . 5327 1 220 . 1 1 22 22 SER HB2 H 1 4.114 0.012 . 1 . . . . . . . . . 5327 1 221 . 1 1 23 23 TYR N N 15 122.071 0.13 . 1 . . . . . . . . . 5327 1 222 . 1 1 23 23 TYR H H 1 8.351 0.012 . 1 . . . . . . . . . 5327 1 223 . 1 1 23 23 TYR CA C 13 61.739 0.06 . 1 . . . . . . . . . 5327 1 224 . 1 1 23 23 TYR HA H 1 4.374 0.012 . 1 . . . . . . . . . 5327 1 225 . 1 1 23 23 TYR CB C 13 38.185 0.06 . 1 . . . . . . . . . 5327 1 226 . 1 1 23 23 TYR HB2 H 1 3.346 0.012 . 2 . . . . . . . . . 5327 1 227 . 1 1 23 23 TYR HB3 H 1 2.995 0.012 . 2 . . . . . . . . . 5327 1 228 . 1 1 23 23 TYR HD1 H 1 7.258 0.012 . 1 . . . . . . . . . 5327 1 229 . 1 1 23 23 TYR HE1 H 1 6.944 0.012 . 1 . . . . . . . . . 5327 1 230 . 1 1 23 23 TYR CD1 C 13 133.363 0.06 . 2 . . . . . . . . . 5327 1 231 . 1 1 23 23 TYR CE1 C 13 118.560 0.06 . 2 . . . . . . . . . 5327 1 232 . 1 1 24 24 ASP N N 15 117.697 0.13 . 1 . . . . . . . . . 5327 1 233 . 1 1 24 24 ASP H H 1 8.154 0.012 . 1 . . . . . . . . . 5327 1 234 . 1 1 24 24 ASP CA C 13 57.791 0.06 . 1 . . . . . . . . . 5327 1 235 . 1 1 24 24 ASP HA H 1 4.373 0.012 . 1 . . . . . . . . . 5327 1 236 . 1 1 24 24 ASP CB C 13 41.807 0.06 . 1 . . . . . . . . . 5327 1 237 . 1 1 24 24 ASP HB2 H 1 3.274 0.012 . 2 . . . . . . . . . 5327 1 238 . 1 1 24 24 ASP HB3 H 1 2.403 0.012 . 2 . . . . . . . . . 5327 1 239 . 1 1 25 25 CYS N N 15 118.030 0.13 . 1 . . . . . . . . . 5327 1 240 . 1 1 25 25 CYS H H 1 7.804 0.012 . 1 . . . . . . . . . 5327 1 241 . 1 1 25 25 CYS CA C 13 63.665 0.06 . 1 . . . . . . . . . 5327 1 242 . 1 1 25 25 CYS HA H 1 4.152 0.012 . 1 . . . . . . . . . 5327 1 243 . 1 1 25 25 CYS CB C 13 27.582 0.06 . 1 . . . . . . . . . 5327 1 244 . 1 1 25 25 CYS HB2 H 1 3.255 0.012 . 2 . . . . . . . . . 5327 1 245 . 1 1 25 25 CYS HB3 H 1 2.749 0.012 . 2 . . . . . . . . . 5327 1 246 . 1 1 26 26 GLU N N 15 122.531 0.13 . 1 . . . . . . . . . 5327 1 247 . 1 1 26 26 GLU H H 1 8.753 0.012 . 1 . . . . . . . . . 5327 1 248 . 1 1 26 26 GLU CA C 13 59.545 0.06 . 1 . . . . . . . . . 5327 1 249 . 1 1 26 26 GLU HA H 1 4.038 0.012 . 1 . . . . . . . . . 5327 1 250 . 1 1 26 26 GLU CB C 13 29.540 0.06 . 1 . . . . . . . . . 5327 1 251 . 1 1 26 26 GLU HB2 H 1 2.272 0.012 . 2 . . . . . . . . . 5327 1 252 . 1 1 26 26 GLU HB3 H 1 2.055 0.012 . 2 . . . . . . . . . 5327 1 253 . 1 1 26 26 GLU CG C 13 36.752 0.06 . 1 . . . . . . . . . 5327 1 254 . 1 1 26 26 GLU HG2 H 1 2.514 0.012 . 2 . . . . . . . . . 5327 1 255 . 1 1 26 26 GLU HG3 H 1 2.295 0.012 . 2 . . . . . . . . . 5327 1 256 . 1 1 27 27 VAL N N 15 113.577 0.13 . 1 . . . . . . . . . 5327 1 257 . 1 1 27 27 VAL H H 1 7.812 0.012 . 1 . . . . . . . . . 5327 1 258 . 1 1 27 27 VAL CA C 13 65.004 0.06 . 1 . . . . . . . . . 5327 1 259 . 1 1 27 27 VAL HA H 1 3.867 0.012 . 1 . . . . . . . . . 5327 1 260 . 1 1 27 27 VAL CB C 13 32.571 0.06 . 1 . . . . . . . . . 5327 1 261 . 1 1 27 27 VAL HB H 1 1.883 0.012 . 1 . . . . . . . . . 5327 1 262 . 1 1 27 27 VAL CG2 C 13 21.078 0.06 . 2 . . . . . . . . . 5327 1 263 . 1 1 27 27 VAL HG21 H 1 0.857 0.012 . 1 . . . . . . . . . 5327 1 264 . 1 1 27 27 VAL HG22 H 1 0.857 0.012 . 1 . . . . . . . . . 5327 1 265 . 1 1 27 27 VAL HG23 H 1 0.857 0.012 . 1 . . . . . . . . . 5327 1 266 . 1 1 27 27 VAL CG1 C 13 21.825 0.06 . 2 . . . . . . . . . 5327 1 267 . 1 1 27 27 VAL HG11 H 1 0.748 0.012 . 1 . . . . . . . . . 5327 1 268 . 1 1 27 27 VAL HG12 H 1 0.748 0.012 . 1 . . . . . . . . . 5327 1 269 . 1 1 27 27 VAL HG13 H 1 0.748 0.012 . 1 . . . . . . . . . 5327 1 270 . 1 1 28 28 ASN N N 15 113.404 0.13 . 1 . . . . . . . . . 5327 1 271 . 1 1 28 28 ASN H H 1 7.225 0.012 . 1 . . . . . . . . . 5327 1 272 . 1 1 28 28 ASN CA C 13 55.582 0.06 . 1 . . . . . . . . . 5327 1 273 . 1 1 28 28 ASN HA H 1 4.758 0.012 . 1 . . . . . . . . . 5327 1 274 . 1 1 28 28 ASN CB C 13 41.673 0.06 . 1 . . . . . . . . . 5327 1 275 . 1 1 28 28 ASN HB2 H 1 2.662 0.012 . 2 . . . . . . . . . 5327 1 276 . 1 1 28 28 ASN HB3 H 1 2.391 0.012 . 2 . . . . . . . . . 5327 1 277 . 1 1 28 28 ASN ND2 N 15 116.290 0.13 . 1 . . . . . . . . . 5327 1 278 . 1 1 28 28 ASN HD21 H 1 8.130 0.012 . 2 . . . . . . . . . 5327 1 279 . 1 1 28 28 ASN HD22 H 1 7.802 0.012 . 2 . . . . . . . . . 5327 1 280 . 1 1 29 29 ALA N N 15 123.316 0.13 . 1 . . . . . . . . . 5327 1 281 . 1 1 29 29 ALA H H 1 8.332 0.012 . 1 . . . . . . . . . 5327 1 282 . 1 1 29 29 ALA CA C 13 50.032 0.06 . 1 . . . . . . . . . 5327 1 283 . 1 1 29 29 ALA HA H 1 4.258 0.012 . 1 . . . . . . . . . 5327 1 284 . 1 1 29 29 ALA CB C 13 17.752 0.06 . 1 . . . . . . . . . 5327 1 285 . 1 1 29 29 ALA HB1 H 1 1.048 0.012 . 1 . . . . . . . . . 5327 1 286 . 1 1 29 29 ALA HB2 H 1 1.048 0.012 . 1 . . . . . . . . . 5327 1 287 . 1 1 29 29 ALA HB3 H 1 1.048 0.012 . 1 . . . . . . . . . 5327 1 288 . 1 1 30 30 PRO CA C 13 63.558 0.06 . 1 . . . . . . . . . 5327 1 289 . 1 1 30 30 PRO HA H 1 4.641 0.012 . 1 . . . . . . . . . 5327 1 290 . 1 1 30 30 PRO CB C 13 32.773 0.06 . 1 . . . . . . . . . 5327 1 291 . 1 1 30 30 PRO HB2 H 1 2.625 0.012 . 2 . . . . . . . . . 5327 1 292 . 1 1 30 30 PRO HB3 H 1 2.069 0.012 . 2 . . . . . . . . . 5327 1 293 . 1 1 30 30 PRO CG C 13 27.457 0.06 . 1 . . . . . . . . . 5327 1 294 . 1 1 30 30 PRO HG2 H 1 2.174 0.012 . 1 . . . . . . . . . 5327 1 295 . 1 1 30 30 PRO CD C 13 50.373 0.06 . 1 . . . . . . . . . 5327 1 296 . 1 1 30 30 PRO HD2 H 1 3.513 0.012 . 2 . . . . . . . . . 5327 1 297 . 1 1 30 30 PRO HD3 H 1 3.364 0.012 . 2 . . . . . . . . . 5327 1 298 . 1 1 31 31 ILE N N 15 122.816 0.13 . 1 . . . . . . . . . 5327 1 299 . 1 1 31 31 ILE H H 1 9.174 0.012 . 1 . . . . . . . . . 5327 1 300 . 1 1 31 31 ILE CA C 13 61.560 0.06 . 1 . . . . . . . . . 5327 1 301 . 1 1 31 31 ILE HA H 1 4.422 0.012 . 1 . . . . . . . . . 5327 1 302 . 1 1 31 31 ILE CB C 13 39.702 0.06 . 1 . . . . . . . . . 5327 1 303 . 1 1 31 31 ILE HB H 1 1.934 0.012 . 1 . . . . . . . . . 5327 1 304 . 1 1 31 31 ILE CG1 C 13 27.580 0.06 . 2 . . . . . . . . . 5327 1 305 . 1 1 31 31 ILE HG12 H 1 1.870 0.012 . 1 . . . . . . . . . 5327 1 306 . 1 1 31 31 ILE HG13 H 1 0.974 0.012 . 1 . . . . . . . . . 5327 1 307 . 1 1 31 31 ILE CD1 C 13 14.901 0.06 . 1 . . . . . . . . . 5327 1 308 . 1 1 31 31 ILE HD11 H 1 1.020 0.012 . 1 . . . . . . . . . 5327 1 309 . 1 1 31 31 ILE HD12 H 1 1.020 0.012 . 1 . . . . . . . . . 5327 1 310 . 1 1 31 31 ILE HD13 H 1 1.020 0.012 . 1 . . . . . . . . . 5327 1 311 . 1 1 31 31 ILE CG2 C 13 18.735 0.06 . 2 . . . . . . . . . 5327 1 312 . 1 1 31 31 ILE HG21 H 1 1.006 0.012 . 1 . . . . . . . . . 5327 1 313 . 1 1 31 31 ILE HG22 H 1 1.006 0.012 . 1 . . . . . . . . . 5327 1 314 . 1 1 31 31 ILE HG23 H 1 1.006 0.012 . 1 . . . . . . . . . 5327 1 315 . 1 1 32 32 GLN N N 15 127.096 0.13 . 1 . . . . . . . . . 5327 1 316 . 1 1 32 32 GLN H H 1 8.770 0.012 . 1 . . . . . . . . . 5327 1 317 . 1 1 32 32 GLN CA C 13 56.619 0.06 . 1 . . . . . . . . . 5327 1 318 . 1 1 32 32 GLN HA H 1 4.474 0.012 . 1 . . . . . . . . . 5327 1 319 . 1 1 32 32 GLN CB C 13 29.580 0.06 . 1 . . . . . . . . . 5327 1 320 . 1 1 32 32 GLN HB2 H 1 2.228 0.012 . 1 . . . . . . . . . 5327 1 321 . 1 1 32 32 GLN CG C 13 34.410 0.06 . 1 . . . . . . . . . 5327 1 322 . 1 1 32 32 GLN HG2 H 1 2.559 0.012 . 2 . . . . . . . . . 5327 1 323 . 1 1 32 32 GLN HG3 H 1 2.509 0.012 . 2 . . . . . . . . . 5327 1 324 . 1 1 32 32 GLN NE2 N 15 113.523 0.13 . 1 . . . . . . . . . 5327 1 325 . 1 1 32 32 GLN HE21 H 1 7.710 0.012 . 2 . . . . . . . . . 5327 1 326 . 1 1 32 32 GLN HE22 H 1 7.289 0.012 . 2 . . . . . . . . . 5327 1 327 . 1 1 33 33 GLY N N 15 110.620 0.13 . 1 . . . . . . . . . 5327 1 328 . 1 1 33 33 GLY H H 1 8.677 0.012 . 1 . . . . . . . . . 5327 1 329 . 1 1 33 33 GLY CA C 13 46.009 0.06 . 1 . . . . . . . . . 5327 1 330 . 1 1 33 33 GLY HA2 H 1 4.258 0.012 . 2 . . . . . . . . . 5327 1 331 . 1 1 33 33 GLY HA3 H 1 3.991 0.012 . 2 . . . . . . . . . 5327 1 332 . 1 1 34 34 SER N N 15 116.100 0.13 . 1 . . . . . . . . . 5327 1 333 . 1 1 34 34 SER H H 1 8.525 0.012 . 1 . . . . . . . . . 5327 1 334 . 1 1 34 34 SER CA C 13 59.202 0.06 . 1 . . . . . . . . . 5327 1 335 . 1 1 34 34 SER HA H 1 4.438 0.012 . 1 . . . . . . . . . 5327 1 336 . 1 1 34 34 SER CB C 13 63.152 0.06 . 1 . . . . . . . . . 5327 1 337 . 1 1 34 34 SER HB2 H 1 4.107 0.012 . 2 . . . . . . . . . 5327 1 338 . 1 1 34 34 SER HB3 H 1 4.071 0.012 . 2 . . . . . . . . . 5327 1 339 . 1 1 35 35 ARG N N 15 119.818 0.13 . 1 . . . . . . . . . 5327 1 340 . 1 1 35 35 ARG H H 1 8.032 0.012 . 1 . . . . . . . . . 5327 1 341 . 1 1 35 35 ARG CA C 13 56.486 0.06 . 1 . . . . . . . . . 5327 1 342 . 1 1 35 35 ARG HA H 1 4.364 0.012 . 1 . . . . . . . . . 5327 1 343 . 1 1 35 35 ARG CB C 13 30.097 0.06 . 1 . . . . . . . . . 5327 1 344 . 1 1 35 35 ARG HB2 H 1 1.916 0.012 . 2 . . . . . . . . . 5327 1 345 . 1 1 35 35 ARG HB3 H 1 2.100 0.012 . 2 . . . . . . . . . 5327 1 346 . 1 1 35 35 ARG CG C 13 27.488 0.06 . 1 . . . . . . . . . 5327 1 347 . 1 1 35 35 ARG HG2 H 1 1.784 0.012 . 1 . . . . . . . . . 5327 1 348 . 1 1 35 35 ARG CD C 13 43.516 0.06 . 1 . . . . . . . . . 5327 1 349 . 1 1 35 35 ARG HD2 H 1 3.342 0.012 . 1 . . . . . . . . . 5327 1 350 . 1 1 35 35 ARG NE N 15 85.176 0.13 . 1 . . . . . . . . . 5327 1 351 . 1 1 35 35 ARG HE H 1 7.321 0.012 . 1 . . . . . . . . . 5327 1 352 . 1 1 36 36 ASN N N 15 117.282 0.13 . 1 . . . . . . . . . 5327 1 353 . 1 1 36 36 ASN H H 1 8.228 0.012 . 1 . . . . . . . . . 5327 1 354 . 1 1 36 36 ASN CA C 13 53.196 0.06 . 1 . . . . . . . . . 5327 1 355 . 1 1 36 36 ASN HA H 1 4.857 0.012 . 1 . . . . . . . . . 5327 1 356 . 1 1 36 36 ASN CB C 13 39.686 0.06 . 1 . . . . . . . . . 5327 1 357 . 1 1 36 36 ASN HB2 H 1 2.984 0.012 . 2 . . . . . . . . . 5327 1 358 . 1 1 36 36 ASN HB3 H 1 2.790 0.012 . 2 . . . . . . . . . 5327 1 359 . 1 1 36 36 ASN ND2 N 15 113.080 0.13 . 1 . . . . . . . . . 5327 1 360 . 1 1 36 36 ASN HD21 H 1 7.750 0.012 . 2 . . . . . . . . . 5327 1 361 . 1 1 36 36 ASN HD22 H 1 7.129 0.012 . 2 . . . . . . . . . 5327 1 362 . 1 1 37 37 LEU N N 15 121.100 0.13 . 1 . . . . . . . . . 5327 1 363 . 1 1 37 37 LEU H H 1 8.253 0.012 . 1 . . . . . . . . . 5327 1 364 . 1 1 37 37 LEU CA C 13 54.784 0.06 . 1 . . . . . . . . . 5327 1 365 . 1 1 37 37 LEU HA H 1 4.381 0.012 . 1 . . . . . . . . . 5327 1 366 . 1 1 37 37 LEU CB C 13 42.437 0.06 . 1 . . . . . . . . . 5327 1 367 . 1 1 37 37 LEU HB2 H 1 1.782 0.012 . 2 . . . . . . . . . 5327 1 368 . 1 1 37 37 LEU HB3 H 1 1.492 0.012 . 2 . . . . . . . . . 5327 1 369 . 1 1 37 37 LEU CG C 13 27.225 0.06 . 1 . . . . . . . . . 5327 1 370 . 1 1 37 37 LEU HG H 1 1.800 0.012 . 1 . . . . . . . . . 5327 1 371 . 1 1 37 37 LEU CD1 C 13 25.337 0.06 . 2 . . . . . . . . . 5327 1 372 . 1 1 37 37 LEU HD11 H 1 1.080 0.012 . 1 . . . . . . . . . 5327 1 373 . 1 1 37 37 LEU HD12 H 1 1.080 0.012 . 1 . . . . . . . . . 5327 1 374 . 1 1 37 37 LEU HD13 H 1 1.080 0.012 . 1 . . . . . . . . . 5327 1 375 . 1 1 37 37 LEU CD2 C 13 24.537 0.06 . 2 . . . . . . . . . 5327 1 376 . 1 1 37 37 LEU HD21 H 1 1.038 0.012 . 1 . . . . . . . . . 5327 1 377 . 1 1 37 37 LEU HD22 H 1 1.038 0.012 . 1 . . . . . . . . . 5327 1 378 . 1 1 37 37 LEU HD23 H 1 1.038 0.012 . 1 . . . . . . . . . 5327 1 379 . 1 1 38 38 LEU N N 15 124.015 0.13 . 1 . . . . . . . . . 5327 1 380 . 1 1 38 38 LEU H H 1 8.130 0.012 . 1 . . . . . . . . . 5327 1 381 . 1 1 38 38 LEU CA C 13 55.317 0.06 . 1 . . . . . . . . . 5327 1 382 . 1 1 38 38 LEU HA H 1 4.410 0.012 . 1 . . . . . . . . . 5327 1 383 . 1 1 38 38 LEU CB C 13 43.378 0.06 . 1 . . . . . . . . . 5327 1 384 . 1 1 38 38 LEU HB2 H 1 1.757 0.012 . 2 . . . . . . . . . 5327 1 385 . 1 1 38 38 LEU HB3 H 1 1.221 0.012 . 2 . . . . . . . . . 5327 1 386 . 1 1 38 38 LEU CG C 13 27.086 0.06 . 1 . . . . . . . . . 5327 1 387 . 1 1 38 38 LEU HG H 1 2.028 0.012 . 1 . . . . . . . . . 5327 1 388 . 1 1 38 38 LEU CD1 C 13 26.790 0.06 . 2 . . . . . . . . . 5327 1 389 . 1 1 38 38 LEU HD11 H 1 1.013 0.012 . 1 . . . . . . . . . 5327 1 390 . 1 1 38 38 LEU HD12 H 1 1.013 0.012 . 1 . . . . . . . . . 5327 1 391 . 1 1 38 38 LEU HD13 H 1 1.013 0.012 . 1 . . . . . . . . . 5327 1 392 . 1 1 38 38 LEU CD2 C 13 23.025 0.06 . 2 . . . . . . . . . 5327 1 393 . 1 1 38 38 LEU HD21 H 1 1.018 0.012 . 1 . . . . . . . . . 5327 1 394 . 1 1 38 38 LEU HD22 H 1 1.018 0.012 . 1 . . . . . . . . . 5327 1 395 . 1 1 38 38 LEU HD23 H 1 1.018 0.012 . 1 . . . . . . . . . 5327 1 396 . 1 1 39 39 GLN N N 15 116.111 0.13 . 1 . . . . . . . . . 5327 1 397 . 1 1 39 39 GLN H H 1 8.712 0.012 . 1 . . . . . . . . . 5327 1 398 . 1 1 39 39 GLN CA C 13 53.981 0.06 . 1 . . . . . . . . . 5327 1 399 . 1 1 39 39 GLN HA H 1 4.515 0.012 . 1 . . . . . . . . . 5327 1 400 . 1 1 39 39 GLN CB C 13 32.752 0.06 . 1 . . . . . . . . . 5327 1 401 . 1 1 39 39 GLN HB2 H 1 2.075 0.012 . 2 . . . . . . . . . 5327 1 402 . 1 1 39 39 GLN HB3 H 1 2.282 0.012 . 2 . . . . . . . . . 5327 1 403 . 1 1 39 39 GLN CG C 13 33.016 0.06 . 1 . . . . . . . . . 5327 1 404 . 1 1 39 39 GLN HG2 H 1 2.520 0.012 . 1 . . . . . . . . . 5327 1 405 . 1 1 39 39 GLN NE2 N 15 111.885 0.13 . 1 . . . . . . . . . 5327 1 406 . 1 1 39 39 GLN HE21 H 1 7.533 0.012 . 2 . . . . . . . . . 5327 1 407 . 1 1 39 39 GLN HE22 H 1 6.935 0.012 . 2 . . . . . . . . . 5327 1 408 . 1 1 40 40 GLY N N 15 109.939 0.13 . 1 . . . . . . . . . 5327 1 409 . 1 1 40 40 GLY H H 1 9.126 0.012 . 1 . . . . . . . . . 5327 1 410 . 1 1 40 40 GLY CA C 13 46.830 0.06 . 1 . . . . . . . . . 5327 1 411 . 1 1 40 40 GLY HA2 H 1 4.292 0.012 . 2 . . . . . . . . . 5327 1 412 . 1 1 40 40 GLY HA3 H 1 4.116 0.012 . 2 . . . . . . . . . 5327 1 413 . 1 1 41 41 GLU N N 15 124.249 0.13 . 1 . . . . . . . . . 5327 1 414 . 1 1 41 41 GLU H H 1 9.231 0.012 . 1 . . . . . . . . . 5327 1 415 . 1 1 41 41 GLU CA C 13 59.247 0.06 . 1 . . . . . . . . . 5327 1 416 . 1 1 41 41 GLU HA H 1 4.111 0.012 . 1 . . . . . . . . . 5327 1 417 . 1 1 41 41 GLU CB C 13 29.552 0.06 . 1 . . . . . . . . . 5327 1 418 . 1 1 41 41 GLU HB2 H 1 2.339 0.012 . 2 . . . . . . . . . 5327 1 419 . 1 1 41 41 GLU HB3 H 1 2.266 0.012 . 2 . . . . . . . . . 5327 1 420 . 1 1 41 41 GLU CG C 13 36.765 0.06 . 1 . . . . . . . . . 5327 1 421 . 1 1 41 41 GLU HG2 H 1 2.589 0.012 . 2 . . . . . . . . . 5327 1 422 . 1 1 41 41 GLU HG3 H 1 2.535 0.012 . 2 . . . . . . . . . 5327 1 423 . 1 1 42 42 GLU N N 15 117.688 0.13 . 1 . . . . . . . . . 5327 1 424 . 1 1 42 42 GLU H H 1 8.251 0.012 . 1 . . . . . . . . . 5327 1 425 . 1 1 42 42 GLU CA C 13 59.312 0.06 . 1 . . . . . . . . . 5327 1 426 . 1 1 42 42 GLU HA H 1 4.155 0.012 . 1 . . . . . . . . . 5327 1 427 . 1 1 42 42 GLU CB C 13 30.226 0.06 . 1 . . . . . . . . . 5327 1 428 . 1 1 42 42 GLU HB2 H 1 2.460 0.012 . 2 . . . . . . . . . 5327 1 429 . 1 1 42 42 GLU HB3 H 1 2.291 0.012 . 2 . . . . . . . . . 5327 1 430 . 1 1 42 42 GLU CG C 13 36.750 0.06 . 1 . . . . . . . . . 5327 1 431 . 1 1 42 42 GLU HG2 H 1 2.697 0.012 . 2 . . . . . . . . . 5327 1 432 . 1 1 42 42 GLU HG3 H 1 2.541 0.012 . 2 . . . . . . . . . 5327 1 433 . 1 1 43 43 LEU N N 15 118.856 0.13 . 1 . . . . . . . . . 5327 1 434 . 1 1 43 43 LEU H H 1 7.531 0.012 . 1 . . . . . . . . . 5327 1 435 . 1 1 43 43 LEU CA C 13 58.189 0.06 . 1 . . . . . . . . . 5327 1 436 . 1 1 43 43 LEU HA H 1 3.954 0.012 . 1 . . . . . . . . . 5327 1 437 . 1 1 43 43 LEU CB C 13 42.625 0.06 . 1 . . . . . . . . . 5327 1 438 . 1 1 43 43 LEU HB2 H 1 1.853 0.012 . 2 . . . . . . . . . 5327 1 439 . 1 1 43 43 LEU HB3 H 1 1.557 0.012 . 2 . . . . . . . . . 5327 1 440 . 1 1 43 43 LEU CG C 13 27.571 0.06 . 1 . . . . . . . . . 5327 1 441 . 1 1 43 43 LEU HG H 1 1.456 0.012 . 1 . . . . . . . . . 5327 1 442 . 1 1 43 43 LEU CD1 C 13 26.100 0.06 . 2 . . . . . . . . . 5327 1 443 . 1 1 43 43 LEU HD11 H 1 1.023 0.012 . 1 . . . . . . . . . 5327 1 444 . 1 1 43 43 LEU HD12 H 1 1.023 0.012 . 1 . . . . . . . . . 5327 1 445 . 1 1 43 43 LEU HD13 H 1 1.023 0.012 . 1 . . . . . . . . . 5327 1 446 . 1 1 43 43 LEU CD2 C 13 25.965 0.06 . 2 . . . . . . . . . 5327 1 447 . 1 1 43 43 LEU HD21 H 1 1.092 0.012 . 1 . . . . . . . . . 5327 1 448 . 1 1 43 43 LEU HD22 H 1 1.092 0.012 . 1 . . . . . . . . . 5327 1 449 . 1 1 43 43 LEU HD23 H 1 1.092 0.012 . 1 . . . . . . . . . 5327 1 450 . 1 1 44 44 LEU N N 15 115.146 0.13 . 1 . . . . . . . . . 5327 1 451 . 1 1 44 44 LEU H H 1 6.843 0.012 . 1 . . . . . . . . . 5327 1 452 . 1 1 44 44 LEU CA C 13 57.150 0.06 . 1 . . . . . . . . . 5327 1 453 . 1 1 44 44 LEU HA H 1 3.870 0.012 . 1 . . . . . . . . . 5327 1 454 . 1 1 44 44 LEU CB C 13 40.707 0.06 . 1 . . . . . . . . . 5327 1 455 . 1 1 44 44 LEU HB2 H 1 2.115 0.012 . 2 . . . . . . . . . 5327 1 456 . 1 1 44 44 LEU HB3 H 1 1.641 0.012 . 2 . . . . . . . . . 5327 1 457 . 1 1 44 44 LEU CG C 13 27.177 0.06 . 1 . . . . . . . . . 5327 1 458 . 1 1 44 44 LEU HG H 1 1.773 0.012 . 1 . . . . . . . . . 5327 1 459 . 1 1 44 44 LEU CD1 C 13 25.593 0.06 . 2 . . . . . . . . . 5327 1 460 . 1 1 44 44 LEU HD11 H 1 1.194 0.012 . 1 . . . . . . . . . 5327 1 461 . 1 1 44 44 LEU HD12 H 1 1.194 0.012 . 1 . . . . . . . . . 5327 1 462 . 1 1 44 44 LEU HD13 H 1 1.194 0.012 . 1 . . . . . . . . . 5327 1 463 . 1 1 44 44 LEU CD2 C 13 22.394 0.06 . 2 . . . . . . . . . 5327 1 464 . 1 1 44 44 LEU HD21 H 1 0.951 0.012 . 1 . . . . . . . . . 5327 1 465 . 1 1 44 44 LEU HD22 H 1 0.951 0.012 . 1 . . . . . . . . . 5327 1 466 . 1 1 44 44 LEU HD23 H 1 0.951 0.012 . 1 . . . . . . . . . 5327 1 467 . 1 1 45 45 ARG N N 15 116.775 0.13 . 1 . . . . . . . . . 5327 1 468 . 1 1 45 45 ARG H H 1 8.108 0.012 . 1 . . . . . . . . . 5327 1 469 . 1 1 45 45 ARG CA C 13 58.885 0.06 . 1 . . . . . . . . . 5327 1 470 . 1 1 45 45 ARG HA H 1 4.332 0.012 . 1 . . . . . . . . . 5327 1 471 . 1 1 45 45 ARG CB C 13 30.559 0.06 . 1 . . . . . . . . . 5327 1 472 . 1 1 45 45 ARG HB2 H 1 1.991 0.012 . 2 . . . . . . . . . 5327 1 473 . 1 1 45 45 ARG HB3 H 1 2.073 0.012 . 2 . . . . . . . . . 5327 1 474 . 1 1 45 45 ARG CG C 13 27.858 0.06 . 1 . . . . . . . . . 5327 1 475 . 1 1 45 45 ARG HG2 H 1 1.978 0.012 . 2 . . . . . . . . . 5327 1 476 . 1 1 45 45 ARG HG3 H 1 1.909 0.012 . 2 . . . . . . . . . 5327 1 477 . 1 1 45 45 ARG CD C 13 43.715 0.06 . 1 . . . . . . . . . 5327 1 478 . 1 1 45 45 ARG HD2 H 1 3.418 0.012 . 1 . . . . . . . . . 5327 1 479 . 1 1 45 45 ARG NE N 15 84.890 0.13 . 1 . . . . . . . . . 5327 1 480 . 1 1 45 45 ARG HE H 1 7.788 0.012 . 1 . . . . . . . . . 5327 1 481 . 1 1 46 46 ALA N N 15 119.534 0.13 . 1 . . . . . . . . . 5327 1 482 . 1 1 46 46 ALA H H 1 7.632 0.012 . 1 . . . . . . . . . 5327 1 483 . 1 1 46 46 ALA CA C 13 54.582 0.06 . 1 . . . . . . . . . 5327 1 484 . 1 1 46 46 ALA HA H 1 4.305 0.012 . 1 . . . . . . . . . 5327 1 485 . 1 1 46 46 ALA CB C 13 19.271 0.06 . 1 . . . . . . . . . 5327 1 486 . 1 1 46 46 ALA HB1 H 1 1.649 0.012 . 1 . . . . . . . . . 5327 1 487 . 1 1 46 46 ALA HB2 H 1 1.649 0.012 . 1 . . . . . . . . . 5327 1 488 . 1 1 46 46 ALA HB3 H 1 1.649 0.012 . 1 . . . . . . . . . 5327 1 489 . 1 1 47 47 LEU N N 15 115.726 0.13 . 1 . . . . . . . . . 5327 1 490 . 1 1 47 47 LEU H H 1 7.364 0.012 . 1 . . . . . . . . . 5327 1 491 . 1 1 47 47 LEU CA C 13 55.798 0.06 . 1 . . . . . . . . . 5327 1 492 . 1 1 47 47 LEU HA H 1 4.395 0.012 . 1 . . . . . . . . . 5327 1 493 . 1 1 47 47 LEU CB C 13 41.377 0.06 . 1 . . . . . . . . . 5327 1 494 . 1 1 47 47 LEU HB2 H 1 1.534 0.012 . 2 . . . . . . . . . 5327 1 495 . 1 1 47 47 LEU HB3 H 1 1.256 0.012 . 2 . . . . . . . . . 5327 1 496 . 1 1 47 47 LEU CG C 13 26.065 0.06 . 1 . . . . . . . . . 5327 1 497 . 1 1 47 47 LEU HG H 1 1.949 0.012 . 1 . . . . . . . . . 5327 1 498 . 1 1 47 47 LEU CD1 C 13 26.921 0.06 . 2 . . . . . . . . . 5327 1 499 . 1 1 47 47 LEU HD11 H 1 0.786 0.012 . 1 . . . . . . . . . 5327 1 500 . 1 1 47 47 LEU HD12 H 1 0.786 0.012 . 1 . . . . . . . . . 5327 1 501 . 1 1 47 47 LEU HD13 H 1 0.786 0.012 . 1 . . . . . . . . . 5327 1 502 . 1 1 47 47 LEU CD2 C 13 22.692 0.06 . 2 . . . . . . . . . 5327 1 503 . 1 1 47 47 LEU HD21 H 1 0.702 0.012 . 1 . . . . . . . . . 5327 1 504 . 1 1 47 47 LEU HD22 H 1 0.702 0.012 . 1 . . . . . . . . . 5327 1 505 . 1 1 47 47 LEU HD23 H 1 0.702 0.012 . 1 . . . . . . . . . 5327 1 506 . 1 1 48 48 ASP N N 15 118.631 0.13 . 1 . . . . . . . . . 5327 1 507 . 1 1 48 48 ASP H H 1 7.771 0.012 . 1 . . . . . . . . . 5327 1 508 . 1 1 48 48 ASP CA C 13 55.749 0.06 . 1 . . . . . . . . . 5327 1 509 . 1 1 48 48 ASP HA H 1 4.947 0.012 . 1 . . . . . . . . . 5327 1 510 . 1 1 48 48 ASP CB C 13 41.748 0.06 . 1 . . . . . . . . . 5327 1 511 . 1 1 48 48 ASP HB2 H 1 3.015 0.012 . 1 . . . . . . . . . 5327 1 512 . 1 1 49 49 GLN N N 15 119.712 0.13 . 1 . . . . . . . . . 5327 1 513 . 1 1 49 49 GLN H H 1 8.101 0.012 . 1 . . . . . . . . . 5327 1 514 . 1 1 49 49 GLN CA C 13 56.482 0.06 . 1 . . . . . . . . . 5327 1 515 . 1 1 49 49 GLN HA H 1 4.598 0.012 . 1 . . . . . . . . . 5327 1 516 . 1 1 49 49 GLN CB C 13 30.076 0.06 . 1 . . . . . . . . . 5327 1 517 . 1 1 49 49 GLN HB2 H 1 2.424 0.012 . 2 . . . . . . . . . 5327 1 518 . 1 1 49 49 GLN HB3 H 1 2.330 0.012 . 2 . . . . . . . . . 5327 1 519 . 1 1 49 49 GLN CG C 13 34.555 0.06 . 1 . . . . . . . . . 5327 1 520 . 1 1 49 49 GLN HG2 H 1 2.650 0.012 . 2 . . . . . . . . . 5327 1 521 . 1 1 49 49 GLN HG3 H 1 2.608 0.012 . 2 . . . . . . . . . 5327 1 522 . 1 1 49 49 GLN NE2 N 15 112.567 0.13 . 1 . . . . . . . . . 5327 1 523 . 1 1 49 49 GLN HE21 H 1 7.762 0.012 . 2 . . . . . . . . . 5327 1 524 . 1 1 49 49 GLN HE22 H 1 7.059 0.012 . 2 . . . . . . . . . 5327 1 525 . 1 1 50 50 VAL N N 15 120.777 0.13 . 1 . . . . . . . . . 5327 1 526 . 1 1 50 50 VAL H H 1 8.316 0.012 . 1 . . . . . . . . . 5327 1 527 . 1 1 50 50 VAL CA C 13 62.569 0.06 . 1 . . . . . . . . . 5327 1 528 . 1 1 50 50 VAL HA H 1 4.425 0.012 . 1 . . . . . . . . . 5327 1 529 . 1 1 50 50 VAL CB C 13 32.995 0.06 . 1 . . . . . . . . . 5327 1 530 . 1 1 50 50 VAL HB H 1 2.375 0.012 . 1 . . . . . . . . . 5327 1 531 . 1 1 50 50 VAL CG2 C 13 20.840 0.06 . 2 . . . . . . . . . 5327 1 532 . 1 1 50 50 VAL HG21 H 1 1.184 0.012 . 1 . . . . . . . . . 5327 1 533 . 1 1 50 50 VAL HG22 H 1 1.184 0.012 . 1 . . . . . . . . . 5327 1 534 . 1 1 50 50 VAL HG23 H 1 1.184 0.012 . 1 . . . . . . . . . 5327 1 535 . 1 1 50 50 VAL CG1 C 13 21.630 0.06 . 2 . . . . . . . . . 5327 1 536 . 1 1 50 50 VAL HG11 H 1 1.165 0.012 . 1 . . . . . . . . . 5327 1 537 . 1 1 50 50 VAL HG12 H 1 1.165 0.012 . 1 . . . . . . . . . 5327 1 538 . 1 1 50 50 VAL HG13 H 1 1.165 0.012 . 1 . . . . . . . . . 5327 1 539 . 1 1 51 51 ASN N N 15 127.632 0.13 . 1 . . . . . . . . . 5327 1 540 . 1 1 51 51 ASN H H 1 8.217 0.012 . 1 . . . . . . . . . 5327 1 541 . 1 1 51 51 ASN CA C 13 55.005 0.06 . 1 . . . . . . . . . 5327 1 542 . 1 1 51 51 ASN HA H 1 4.669 0.012 . 1 . . . . . . . . . 5327 1 543 . 1 1 51 51 ASN CB C 13 40.648 0.06 . 1 . . . . . . . . . 5327 1 544 . 1 1 51 51 ASN HB2 H 1 2.958 0.012 . 2 . . . . . . . . . 5327 1 545 . 1 1 51 51 ASN HB3 H 1 2.855 0.012 . 2 . . . . . . . . . 5327 1 546 . 1 1 51 51 ASN ND2 N 15 112.848 0.13 . 1 . . . . . . . . . 5327 1 547 . 1 1 51 51 ASN HD21 H 1 7.571 0.012 . 2 . . . . . . . . . 5327 1 548 . 1 1 51 51 ASN HD22 H 1 6.939 0.012 . 2 . . . . . . . . . 5327 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5327 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N NOESY' . . . 5327 2 2 '1H-13C NOESY' . . . 5327 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 ALA CA C 13 52.100 0.06 . 1 . . . . . . . . . 5327 2 2 . 2 2 1 1 ALA HA H 1 4.111 0.012 . 1 . . . . . . . . . 5327 2 3 . 2 2 1 1 ALA CB C 13 19.694 0.06 . 1 . . . . . . . . . 5327 2 4 . 2 2 1 1 ALA HB1 H 1 1.666 0.012 . 1 . . . . . . . . . 5327 2 5 . 2 2 1 1 ALA HB2 H 1 1.666 0.012 . 1 . . . . . . . . . 5327 2 6 . 2 2 1 1 ALA HB3 H 1 1.666 0.012 . 1 . . . . . . . . . 5327 2 7 . 2 2 2 2 ASP CA C 13 51.961 0.06 . 1 . . . . . . . . . 5327 2 8 . 2 2 2 2 ASP HA H 1 5.260 0.012 . 1 . . . . . . . . . 5327 2 9 . 2 2 2 2 ASP CB C 13 42.650 0.06 . 1 . . . . . . . . . 5327 2 10 . 2 2 2 2 ASP HB2 H 1 2.959 0.012 . 2 . . . . . . . . . 5327 2 11 . 2 2 2 2 ASP HB3 H 1 2.808 0.012 . 2 . . . . . . . . . 5327 2 12 . 2 2 3 3 PRO CA C 13 64.849 0.06 . 1 . . . . . . . . . 5327 2 13 . 2 2 3 3 PRO HA H 1 4.414 0.012 . 1 . . . . . . . . . 5327 2 14 . 2 2 3 3 PRO CB C 13 32.510 0.06 . 1 . . . . . . . . . 5327 2 15 . 2 2 3 3 PRO HB2 H 1 2.562 0.012 . 2 . . . . . . . . . 5327 2 16 . 2 2 3 3 PRO HB3 H 1 2.180 0.012 . 2 . . . . . . . . . 5327 2 17 . 2 2 3 3 PRO CG C 13 27.650 0.06 . 1 . . . . . . . . . 5327 2 18 . 2 2 3 3 PRO HG2 H 1 2.324 0.012 . 2 . . . . . . . . . 5327 2 19 . 2 2 3 3 PRO HG3 H 1 2.239 0.012 . 2 . . . . . . . . . 5327 2 20 . 2 2 3 3 PRO CD C 13 51.307 0.06 . 1 . . . . . . . . . 5327 2 21 . 2 2 3 3 PRO HD2 H 1 4.089 0.012 . 1 . . . . . . . . . 5327 2 22 . 2 2 4 4 GLU N N 15 119.307 0.13 . 1 . . . . . . . . . 5327 2 23 . 2 2 4 4 GLU H H 1 8.521 0.012 . 1 . . . . . . . . . 5327 2 24 . 2 2 4 4 GLU CA C 13 58.847 0.06 . 1 . . . . . . . . . 5327 2 25 . 2 2 4 4 GLU HA H 1 4.335 0.012 . 1 . . . . . . . . . 5327 2 26 . 2 2 4 4 GLU CB C 13 29.347 0.06 . 1 . . . . . . . . . 5327 2 27 . 2 2 4 4 GLU HB2 H 1 2.277 0.012 . 1 . . . . . . . . . 5327 2 28 . 2 2 4 4 GLU CG C 13 36.496 0.06 . 1 . . . . . . . . . 5327 2 29 . 2 2 4 4 GLU HG2 H 1 2.524 0.012 . 2 . . . . . . . . . 5327 2 30 . 2 2 4 4 GLU HG3 H 1 2.452 0.012 . 2 . . . . . . . . . 5327 2 31 . 2 2 5 5 LYS N N 15 119.372 0.13 . 1 . . . . . . . . . 5327 2 32 . 2 2 5 5 LYS H H 1 8.036 0.012 . 1 . . . . . . . . . 5327 2 33 . 2 2 5 5 LYS CA C 13 58.562 0.06 . 1 . . . . . . . . . 5327 2 34 . 2 2 5 5 LYS HA H 1 4.157 0.012 . 1 . . . . . . . . . 5327 2 35 . 2 2 5 5 LYS CB C 13 32.292 0.06 . 1 . . . . . . . . . 5327 2 36 . 2 2 5 5 LYS HB2 H 1 2.117 0.012 . 2 . . . . . . . . . 5327 2 37 . 2 2 5 5 LYS HB3 H 1 1.692 0.012 . 2 . . . . . . . . . 5327 2 38 . 2 2 5 5 LYS CG C 13 25.643 0.06 . 1 . . . . . . . . . 5327 2 39 . 2 2 5 5 LYS HG2 H 1 1.750 0.012 . 2 . . . . . . . . . 5327 2 40 . 2 2 5 5 LYS HG3 H 1 1.599 0.012 . 2 . . . . . . . . . 5327 2 41 . 2 2 5 5 LYS CD C 13 28.671 0.06 . 1 . . . . . . . . . 5327 2 42 . 2 2 5 5 LYS HD2 H 1 1.730 0.012 . 2 . . . . . . . . . 5327 2 43 . 2 2 5 5 LYS HD3 H 1 1.621 0.012 . 2 . . . . . . . . . 5327 2 44 . 2 2 5 5 LYS CE C 13 42.095 0.06 . 1 . . . . . . . . . 5327 2 45 . 2 2 5 5 LYS HE2 H 1 3.158 0.012 . 1 . . . . . . . . . 5327 2 46 . 2 2 6 6 ARG N N 15 117.965 0.13 . 1 . . . . . . . . . 5327 2 47 . 2 2 6 6 ARG H H 1 8.370 0.012 . 1 . . . . . . . . . 5327 2 48 . 2 2 6 6 ARG CA C 13 60.950 0.06 . 1 . . . . . . . . . 5327 2 49 . 2 2 6 6 ARG HA H 1 3.839 0.012 . 1 . . . . . . . . . 5327 2 50 . 2 2 6 6 ARG CB C 13 30.270 0.06 . 1 . . . . . . . . . 5327 2 51 . 2 2 6 6 ARG HB2 H 1 2.104 0.012 . 2 . . . . . . . . . 5327 2 52 . 2 2 6 6 ARG HB3 H 1 1.974 0.012 . 2 . . . . . . . . . 5327 2 53 . 2 2 6 6 ARG CG C 13 28.188 0.06 . 1 . . . . . . . . . 5327 2 54 . 2 2 6 6 ARG HG2 H 1 1.874 0.012 . 2 . . . . . . . . . 5327 2 55 . 2 2 6 6 ARG HG3 H 1 1.629 0.012 . 2 . . . . . . . . . 5327 2 56 . 2 2 6 6 ARG CD C 13 44.141 0.06 . 1 . . . . . . . . . 5327 2 57 . 2 2 6 6 ARG HD2 H 1 3.338 0.012 . 2 . . . . . . . . . 5327 2 58 . 2 2 6 6 ARG HD3 H 1 3.302 0.012 . 2 . . . . . . . . . 5327 2 59 . 2 2 7 7 LYS N N 15 118.854 0.13 . 1 . . . . . . . . . 5327 2 60 . 2 2 7 7 LYS H H 1 7.676 0.012 . 1 . . . . . . . . . 5327 2 61 . 2 2 7 7 LYS CA C 13 59.478 0.06 . 1 . . . . . . . . . 5327 2 62 . 2 2 7 7 LYS HA H 1 4.341 0.012 . 1 . . . . . . . . . 5327 2 63 . 2 2 7 7 LYS CB C 13 32.243 0.06 . 1 . . . . . . . . . 5327 2 64 . 2 2 7 7 LYS HB2 H 1 2.102 0.012 . 1 . . . . . . . . . 5327 2 65 . 2 2 7 7 LYS CG C 13 25.188 0.06 . 1 . . . . . . . . . 5327 2 66 . 2 2 7 7 LYS HG2 H 1 1.747 0.012 . 2 . . . . . . . . . 5327 2 67 . 2 2 7 7 LYS HG3 H 1 1.578 0.012 . 2 . . . . . . . . . 5327 2 68 . 2 2 7 7 LYS CD C 13 29.465 0.06 . 1 . . . . . . . . . 5327 2 69 . 2 2 7 7 LYS HD2 H 1 1.887 0.012 . 1 . . . . . . . . . 5327 2 70 . 2 2 7 7 LYS CE C 13 42.390 0.06 . 1 . . . . . . . . . 5327 2 71 . 2 2 7 7 LYS HE2 H 1 3.150 0.012 . 1 . . . . . . . . . 5327 2 72 . 2 2 8 8 LEU N N 15 118.862 0.13 . 1 . . . . . . . . . 5327 2 73 . 2 2 8 8 LEU H H 1 7.697 0.012 . 1 . . . . . . . . . 5327 2 74 . 2 2 8 8 LEU CA C 13 58.020 0.06 . 1 . . . . . . . . . 5327 2 75 . 2 2 8 8 LEU HA H 1 4.262 0.012 . 1 . . . . . . . . . 5327 2 76 . 2 2 8 8 LEU CB C 13 41.976 0.06 . 1 . . . . . . . . . 5327 2 77 . 2 2 8 8 LEU HB2 H 1 2.210 0.012 . 2 . . . . . . . . . 5327 2 78 . 2 2 8 8 LEU HB3 H 1 1.713 0.012 . 2 . . . . . . . . . 5327 2 79 . 2 2 8 8 LEU CG C 13 26.854 0.06 . 1 . . . . . . . . . 5327 2 80 . 2 2 8 8 LEU HG H 1 2.100 0.012 . 1 . . . . . . . . . 5327 2 81 . 2 2 8 8 LEU CD1 C 13 25.954 0.06 . 2 . . . . . . . . . 5327 2 82 . 2 2 8 8 LEU HD11 H 1 1.039 0.012 . 1 . . . . . . . . . 5327 2 83 . 2 2 8 8 LEU HD12 H 1 1.039 0.012 . 1 . . . . . . . . . 5327 2 84 . 2 2 8 8 LEU HD13 H 1 1.039 0.012 . 1 . . . . . . . . . 5327 2 85 . 2 2 8 8 LEU CD2 C 13 22.451 0.06 . 2 . . . . . . . . . 5327 2 86 . 2 2 8 8 LEU HD21 H 1 1.045 0.012 . 1 . . . . . . . . . 5327 2 87 . 2 2 8 8 LEU HD22 H 1 1.045 0.012 . 1 . . . . . . . . . 5327 2 88 . 2 2 8 8 LEU HD23 H 1 1.045 0.012 . 1 . . . . . . . . . 5327 2 89 . 2 2 9 9 ILE N N 15 122.184 0.13 . 1 . . . . . . . . . 5327 2 90 . 2 2 9 9 ILE H H 1 8.442 0.012 . 1 . . . . . . . . . 5327 2 91 . 2 2 9 9 ILE CA C 13 65.743 0.06 . 1 . . . . . . . . . 5327 2 92 . 2 2 9 9 ILE HA H 1 3.565 0.012 . 1 . . . . . . . . . 5327 2 93 . 2 2 9 9 ILE CB C 13 37.755 0.06 . 1 . . . . . . . . . 5327 2 94 . 2 2 9 9 ILE HB H 1 2.119 0.012 . 1 . . . . . . . . . 5327 2 95 . 2 2 9 9 ILE CG1 C 13 30.900 0.06 . 2 . . . . . . . . . 5327 2 96 . 2 2 9 9 ILE HG12 H 1 1.950 0.012 . 1 . . . . . . . . . 5327 2 97 . 2 2 9 9 ILE HG13 H 1 1.095 0.012 . 1 . . . . . . . . . 5327 2 98 . 2 2 9 9 ILE CD1 C 13 16.074 0.06 . 1 . . . . . . . . . 5327 2 99 . 2 2 9 9 ILE HD11 H 1 0.820 0.012 . 1 . . . . . . . . . 5327 2 100 . 2 2 9 9 ILE HD12 H 1 0.820 0.012 . 1 . . . . . . . . . 5327 2 101 . 2 2 9 9 ILE HD13 H 1 0.820 0.012 . 1 . . . . . . . . . 5327 2 102 . 2 2 9 9 ILE CG2 C 13 17.482 0.06 . 2 . . . . . . . . . 5327 2 103 . 2 2 9 9 ILE HG21 H 1 0.903 0.012 . 1 . . . . . . . . . 5327 2 104 . 2 2 9 9 ILE HG22 H 1 0.903 0.012 . 1 . . . . . . . . . 5327 2 105 . 2 2 9 9 ILE HG23 H 1 0.903 0.012 . 1 . . . . . . . . . 5327 2 106 . 2 2 10 10 GLN N N 15 119.058 0.13 . 1 . . . . . . . . . 5327 2 107 . 2 2 10 10 GLN H H 1 8.369 0.012 . 1 . . . . . . . . . 5327 2 108 . 2 2 10 10 GLN CA C 13 59.826 0.06 . 1 . . . . . . . . . 5327 2 109 . 2 2 10 10 GLN HA H 1 3.962 0.012 . 1 . . . . . . . . . 5327 2 110 . 2 2 10 10 GLN CB C 13 29.870 0.06 . 1 . . . . . . . . . 5327 2 111 . 2 2 10 10 GLN HB2 H 1 2.568 0.012 . 2 . . . . . . . . . 5327 2 112 . 2 2 10 10 GLN HB3 H 1 2.344 0.012 . 2 . . . . . . . . . 5327 2 113 . 2 2 10 10 GLN CG C 13 34.546 0.06 . 1 . . . . . . . . . 5327 2 114 . 2 2 10 10 GLN HG2 H 1 2.887 0.012 . 2 . . . . . . . . . 5327 2 115 . 2 2 10 10 GLN HG3 H 1 2.574 0.012 . 2 . . . . . . . . . 5327 2 116 . 2 2 10 10 GLN NE2 N 15 111.120 0.13 . 1 . . . . . . . . . 5327 2 117 . 2 2 10 10 GLN HE21 H 1 7.923 0.012 . 2 . . . . . . . . . 5327 2 118 . 2 2 10 10 GLN HE22 H 1 6.782 0.012 . 2 . . . . . . . . . 5327 2 119 . 2 2 11 11 GLN N N 15 116.856 0.13 . 1 . . . . . . . . . 5327 2 120 . 2 2 11 11 GLN H H 1 8.413 0.012 . 1 . . . . . . . . . 5327 2 121 . 2 2 11 11 GLN CA C 13 59.189 0.06 . 1 . . . . . . . . . 5327 2 122 . 2 2 11 11 GLN HA H 1 4.095 0.012 . 1 . . . . . . . . . 5327 2 123 . 2 2 11 11 GLN CB C 13 29.000 0.06 . 1 . . . . . . . . . 5327 2 124 . 2 2 11 11 GLN HB2 H 1 2.338 0.012 . 2 . . . . . . . . . 5327 2 125 . 2 2 11 11 GLN HB3 H 1 2.269 0.012 . 2 . . . . . . . . . 5327 2 126 . 2 2 11 11 GLN CG C 13 35.052 0.06 . 1 . . . . . . . . . 5327 2 127 . 2 2 11 11 GLN HG2 H 1 2.639 0.012 . 2 . . . . . . . . . 5327 2 128 . 2 2 11 11 GLN HG3 H 1 2.545 0.012 . 2 . . . . . . . . . 5327 2 129 . 2 2 11 11 GLN NE2 N 15 111.201 0.13 . 1 . . . . . . . . . 5327 2 130 . 2 2 11 11 GLN HE21 H 1 8.028 0.012 . 2 . . . . . . . . . 5327 2 131 . 2 2 11 11 GLN HE22 H 1 7.087 0.012 . 2 . . . . . . . . . 5327 2 132 . 2 2 12 12 GLN N N 15 121.548 0.13 . 1 . . . . . . . . . 5327 2 133 . 2 2 12 12 GLN H H 1 8.413 0.012 . 1 . . . . . . . . . 5327 2 134 . 2 2 12 12 GLN CA C 13 60.564 0.06 . 1 . . . . . . . . . 5327 2 135 . 2 2 12 12 GLN HA H 1 3.956 0.012 . 1 . . . . . . . . . 5327 2 136 . 2 2 12 12 GLN CB C 13 27.914 0.06 . 1 . . . . . . . . . 5327 2 137 . 2 2 12 12 GLN HB2 H 1 2.062 0.012 . 2 . . . . . . . . . 5327 2 138 . 2 2 12 12 GLN HB3 H 1 2.432 0.012 . 2 . . . . . . . . . 5327 2 139 . 2 2 12 12 GLN CG C 13 34.560 0.06 . 1 . . . . . . . . . 5327 2 140 . 2 2 12 12 GLN HG2 H 1 2.306 0.012 . 2 . . . . . . . . . 5327 2 141 . 2 2 12 12 GLN HG3 H 1 2.228 0.012 . 2 . . . . . . . . . 5327 2 142 . 2 2 12 12 GLN NE2 N 15 111.560 0.13 . 1 . . . . . . . . . 5327 2 143 . 2 2 12 12 GLN HE21 H 1 7.857 0.012 . 2 . . . . . . . . . 5327 2 144 . 2 2 12 12 GLN HE22 H 1 6.964 0.012 . 2 . . . . . . . . . 5327 2 145 . 2 2 13 13 LEU N N 15 120.516 0.13 . 1 . . . . . . . . . 5327 2 146 . 2 2 13 13 LEU H H 1 8.558 0.012 . 1 . . . . . . . . . 5327 2 147 . 2 2 13 13 LEU CA C 13 58.557 0.06 . 1 . . . . . . . . . 5327 2 148 . 2 2 13 13 LEU HA H 1 4.129 0.012 . 1 . . . . . . . . . 5327 2 149 . 2 2 13 13 LEU CB C 13 41.129 0.06 . 1 . . . . . . . . . 5327 2 150 . 2 2 13 13 LEU HB2 H 1 1.438 0.012 . 2 . . . . . . . . . 5327 2 151 . 2 2 13 13 LEU HB3 H 1 2.152 0.012 . 2 . . . . . . . . . 5327 2 152 . 2 2 13 13 LEU CG C 13 26.871 0.06 . 1 . . . . . . . . . 5327 2 153 . 2 2 13 13 LEU HG H 1 1.233 0.012 . 1 . . . . . . . . . 5327 2 154 . 2 2 13 13 LEU CD1 C 13 26.449 0.06 . 2 . . . . . . . . . 5327 2 155 . 2 2 13 13 LEU HD11 H 1 0.826 0.012 . 1 . . . . . . . . . 5327 2 156 . 2 2 13 13 LEU HD12 H 1 0.826 0.012 . 1 . . . . . . . . . 5327 2 157 . 2 2 13 13 LEU HD13 H 1 0.826 0.012 . 1 . . . . . . . . . 5327 2 158 . 2 2 13 13 LEU CD2 C 13 20.911 0.06 . 2 . . . . . . . . . 5327 2 159 . 2 2 13 13 LEU HD21 H 1 0.513 0.012 . 1 . . . . . . . . . 5327 2 160 . 2 2 13 13 LEU HD22 H 1 0.513 0.012 . 1 . . . . . . . . . 5327 2 161 . 2 2 13 13 LEU HD23 H 1 0.513 0.012 . 1 . . . . . . . . . 5327 2 162 . 2 2 14 14 VAL N N 15 118.310 0.13 . 1 . . . . . . . . . 5327 2 163 . 2 2 14 14 VAL H H 1 8.471 0.012 . 1 . . . . . . . . . 5327 2 164 . 2 2 14 14 VAL CA C 13 67.222 0.06 . 1 . . . . . . . . . 5327 2 165 . 2 2 14 14 VAL HA H 1 3.627 0.012 . 1 . . . . . . . . . 5327 2 166 . 2 2 14 14 VAL CB C 13 31.854 0.06 . 1 . . . . . . . . . 5327 2 167 . 2 2 14 14 VAL HB H 1 2.346 0.012 . 1 . . . . . . . . . 5327 2 168 . 2 2 14 14 VAL CG2 C 13 23.973 0.06 . 2 . . . . . . . . . 5327 2 169 . 2 2 14 14 VAL HG21 H 1 1.238 0.012 . 1 . . . . . . . . . 5327 2 170 . 2 2 14 14 VAL HG22 H 1 1.238 0.012 . 1 . . . . . . . . . 5327 2 171 . 2 2 14 14 VAL HG23 H 1 1.238 0.012 . 1 . . . . . . . . . 5327 2 172 . 2 2 14 14 VAL CG1 C 13 21.396 0.06 . 2 . . . . . . . . . 5327 2 173 . 2 2 14 14 VAL HG11 H 1 1.087 0.012 . 1 . . . . . . . . . 5327 2 174 . 2 2 14 14 VAL HG12 H 1 1.087 0.012 . 1 . . . . . . . . . 5327 2 175 . 2 2 14 14 VAL HG13 H 1 1.087 0.012 . 1 . . . . . . . . . 5327 2 176 . 2 2 15 15 LEU N N 15 121.014 0.13 . 1 . . . . . . . . . 5327 2 177 . 2 2 15 15 LEU H H 1 8.022 0.012 . 1 . . . . . . . . . 5327 2 178 . 2 2 15 15 LEU CA C 13 58.210 0.06 . 1 . . . . . . . . . 5327 2 179 . 2 2 15 15 LEU HA H 1 4.252 0.012 . 1 . . . . . . . . . 5327 2 180 . 2 2 15 15 LEU CB C 13 43.142 0.06 . 1 . . . . . . . . . 5327 2 181 . 2 2 15 15 LEU HB2 H 1 2.143 0.012 . 2 . . . . . . . . . 5327 2 182 . 2 2 15 15 LEU HB3 H 1 1.582 0.012 . 2 . . . . . . . . . 5327 2 183 . 2 2 15 15 LEU CG C 13 27.769 0.06 . 1 . . . . . . . . . 5327 2 184 . 2 2 15 15 LEU HG H 1 1.871 0.012 . 1 . . . . . . . . . 5327 2 185 . 2 2 15 15 LEU CD1 C 13 25.785 0.06 . 2 . . . . . . . . . 5327 2 186 . 2 2 15 15 LEU HD11 H 1 0.995 0.012 . 1 . . . . . . . . . 5327 2 187 . 2 2 15 15 LEU HD12 H 1 0.995 0.012 . 1 . . . . . . . . . 5327 2 188 . 2 2 15 15 LEU HD13 H 1 0.995 0.012 . 1 . . . . . . . . . 5327 2 189 . 2 2 15 15 LEU CD2 C 13 24.478 0.06 . 2 . . . . . . . . . 5327 2 190 . 2 2 15 15 LEU HD21 H 1 1.033 0.012 . 1 . . . . . . . . . 5327 2 191 . 2 2 15 15 LEU HD22 H 1 1.033 0.012 . 1 . . . . . . . . . 5327 2 192 . 2 2 15 15 LEU HD23 H 1 1.033 0.012 . 1 . . . . . . . . . 5327 2 193 . 2 2 16 16 LEU N N 15 122.814 0.13 . 1 . . . . . . . . . 5327 2 194 . 2 2 16 16 LEU H H 1 8.652 0.012 . 1 . . . . . . . . . 5327 2 195 . 2 2 16 16 LEU CA C 13 59.270 0.06 . 1 . . . . . . . . . 5327 2 196 . 2 2 16 16 LEU HA H 1 4.044 0.012 . 1 . . . . . . . . . 5327 2 197 . 2 2 16 16 LEU CB C 13 42.960 0.06 . 1 . . . . . . . . . 5327 2 198 . 2 2 16 16 LEU HB2 H 1 2.283 0.012 . 2 . . . . . . . . . 5327 2 199 . 2 2 16 16 LEU HB3 H 1 1.375 0.012 . 2 . . . . . . . . . 5327 2 200 . 2 2 16 16 LEU CG C 13 27.641 0.06 . 1 . . . . . . . . . 5327 2 201 . 2 2 16 16 LEU HG H 1 2.052 0.012 . 1 . . . . . . . . . 5327 2 202 . 2 2 16 16 LEU CD1 C 13 23.632 0.06 . 2 . . . . . . . . . 5327 2 203 . 2 2 16 16 LEU HD11 H 1 1.131 0.012 . 1 . . . . . . . . . 5327 2 204 . 2 2 16 16 LEU HD12 H 1 1.131 0.012 . 1 . . . . . . . . . 5327 2 205 . 2 2 16 16 LEU HD13 H 1 1.131 0.012 . 1 . . . . . . . . . 5327 2 206 . 2 2 16 16 LEU CD2 C 13 25.232 0.06 . 2 . . . . . . . . . 5327 2 207 . 2 2 16 16 LEU HD21 H 1 1.090 0.012 . 1 . . . . . . . . . 5327 2 208 . 2 2 16 16 LEU HD22 H 1 1.090 0.012 . 1 . . . . . . . . . 5327 2 209 . 2 2 16 16 LEU HD23 H 1 1.090 0.012 . 1 . . . . . . . . . 5327 2 210 . 2 2 17 17 LEU N N 15 118.310 0.13 . 1 . . . . . . . . . 5327 2 211 . 2 2 17 17 LEU H H 1 8.443 0.012 . 1 . . . . . . . . . 5327 2 212 . 2 2 17 17 LEU CA C 13 58.598 0.06 . 1 . . . . . . . . . 5327 2 213 . 2 2 17 17 LEU HA H 1 4.053 0.012 . 1 . . . . . . . . . 5327 2 214 . 2 2 17 17 LEU CB C 13 41.957 0.06 . 1 . . . . . . . . . 5327 2 215 . 2 2 17 17 LEU HB2 H 1 1.542 0.012 . 2 . . . . . . . . . 5327 2 216 . 2 2 17 17 LEU HB3 H 1 1.971 0.012 . 2 . . . . . . . . . 5327 2 217 . 2 2 17 17 LEU CG C 13 27.153 0.06 . 1 . . . . . . . . . 5327 2 218 . 2 2 17 17 LEU HG H 1 1.494 0.012 . 1 . . . . . . . . . 5327 2 219 . 2 2 17 17 LEU CD1 C 13 25.596 0.06 . 2 . . . . . . . . . 5327 2 220 . 2 2 17 17 LEU HD11 H 1 0.458 0.012 . 1 . . . . . . . . . 5327 2 221 . 2 2 17 17 LEU HD12 H 1 0.458 0.012 . 1 . . . . . . . . . 5327 2 222 . 2 2 17 17 LEU HD13 H 1 0.458 0.012 . 1 . . . . . . . . . 5327 2 223 . 2 2 17 17 LEU CD2 C 13 24.020 0.06 . 2 . . . . . . . . . 5327 2 224 . 2 2 17 17 LEU HD21 H 1 0.786 0.012 . 1 . . . . . . . . . 5327 2 225 . 2 2 17 17 LEU HD22 H 1 0.786 0.012 . 1 . . . . . . . . . 5327 2 226 . 2 2 17 17 LEU HD23 H 1 0.786 0.012 . 1 . . . . . . . . . 5327 2 227 . 2 2 18 18 HIS N N 15 117.340 0.13 . 1 . . . . . . . . . 5327 2 228 . 2 2 18 18 HIS H H 1 8.465 0.012 . 1 . . . . . . . . . 5327 2 229 . 2 2 18 18 HIS CA C 13 60.500 0.06 . 1 . . . . . . . . . 5327 2 230 . 2 2 18 18 HIS HA H 1 4.282 0.012 . 1 . . . . . . . . . 5327 2 231 . 2 2 18 18 HIS CB C 13 28.001 0.06 . 1 . . . . . . . . . 5327 2 232 . 2 2 18 18 HIS HB2 H 1 3.415 0.012 . 2 . . . . . . . . . 5327 2 233 . 2 2 18 18 HIS HB3 H 1 3.551 0.012 . 2 . . . . . . . . . 5327 2 234 . 2 2 18 18 HIS CD2 C 13 128.297 0.06 . 1 . . . . . . . . . 5327 2 235 . 2 2 18 18 HIS HD2 H 1 7.333 0.012 . 2 . . . . . . . . . 5327 2 236 . 2 2 18 18 HIS CE1 C 13 138.833 0.06 . 1 . . . . . . . . . 5327 2 237 . 2 2 18 18 HIS HE1 H 1 8.093 0.012 . 1 . . . . . . . . . 5327 2 238 . 2 2 19 19 ALA N N 15 122.224 0.13 . 1 . . . . . . . . . 5327 2 239 . 2 2 19 19 ALA H H 1 9.384 0.012 . 1 . . . . . . . . . 5327 2 240 . 2 2 19 19 ALA CA C 13 55.489 0.06 . 1 . . . . . . . . . 5327 2 241 . 2 2 19 19 ALA HA H 1 4.180 0.012 . 1 . . . . . . . . . 5327 2 242 . 2 2 19 19 ALA CB C 13 19.207 0.06 . 1 . . . . . . . . . 5327 2 243 . 2 2 19 19 ALA HB1 H 1 1.693 0.012 . 1 . . . . . . . . . 5327 2 244 . 2 2 19 19 ALA HB2 H 1 1.693 0.012 . 1 . . . . . . . . . 5327 2 245 . 2 2 19 19 ALA HB3 H 1 1.693 0.012 . 1 . . . . . . . . . 5327 2 246 . 2 2 20 20 HIS N N 15 116.122 0.13 . 1 . . . . . . . . . 5327 2 247 . 2 2 20 20 HIS H H 1 8.192 0.012 . 1 . . . . . . . . . 5327 2 248 . 2 2 20 20 HIS CA C 13 59.230 0.06 . 1 . . . . . . . . . 5327 2 249 . 2 2 20 20 HIS HA H 1 4.513 0.012 . 1 . . . . . . . . . 5327 2 250 . 2 2 20 20 HIS CB C 13 31.436 0.06 . 1 . . . . . . . . . 5327 2 251 . 2 2 20 20 HIS HB2 H 1 3.232 0.012 . 1 . . . . . . . . . 5327 2 252 . 2 2 20 20 HIS CD2 C 13 118.975 0.06 . 1 . . . . . . . . . 5327 2 253 . 2 2 20 20 HIS HD2 H 1 7.012 0.012 . 2 . . . . . . . . . 5327 2 254 . 2 2 20 20 HIS CE1 C 13 138.644 0.06 . 1 . . . . . . . . . 5327 2 255 . 2 2 20 20 HIS HE1 H 1 7.584 0.012 . 1 . . . . . . . . . 5327 2 256 . 2 2 21 21 LYS N N 15 118.100 0.13 . 1 . . . . . . . . . 5327 2 257 . 2 2 21 21 LYS H H 1 7.264 0.012 . 1 . . . . . . . . . 5327 2 258 . 2 2 21 21 LYS CA C 13 58.604 0.06 . 1 . . . . . . . . . 5327 2 259 . 2 2 21 21 LYS HA H 1 3.966 0.012 . 1 . . . . . . . . . 5327 2 260 . 2 2 21 21 LYS CB C 13 32.849 0.06 . 1 . . . . . . . . . 5327 2 261 . 2 2 21 21 LYS HB2 H 1 1.988 0.012 . 1 . . . . . . . . . 5327 2 262 . 2 2 21 21 LYS CG C 13 25.315 0.06 . 1 . . . . . . . . . 5327 2 263 . 2 2 21 21 LYS HG2 H 1 1.766 0.012 . 2 . . . . . . . . . 5327 2 264 . 2 2 21 21 LYS HG3 H 1 1.603 0.012 . 2 . . . . . . . . . 5327 2 265 . 2 2 21 21 LYS CD C 13 29.148 0.06 . 1 . . . . . . . . . 5327 2 266 . 2 2 21 21 LYS HD2 H 1 1.852 0.012 . 1 . . . . . . . . . 5327 2 267 . 2 2 21 21 LYS CE C 13 42.393 0.06 . 1 . . . . . . . . . 5327 2 268 . 2 2 21 21 LYS HE2 H 1 3.215 0.012 . 1 . . . . . . . . . 5327 2 269 . 2 2 22 22 CYS N N 15 124.105 0.13 . 1 . . . . . . . . . 5327 2 270 . 2 2 22 22 CYS H H 1 8.870 0.012 . 1 . . . . . . . . . 5327 2 271 . 2 2 22 22 CYS CA C 13 62.702 0.06 . 1 . . . . . . . . . 5327 2 272 . 2 2 22 22 CYS HA H 1 3.873 0.012 . 1 . . . . . . . . . 5327 2 273 . 2 2 22 22 CYS CB C 13 29.601 0.06 . 1 . . . . . . . . . 5327 2 274 . 2 2 22 22 CYS HB2 H 1 2.716 0.012 . 2 . . . . . . . . . 5327 2 275 . 2 2 22 22 CYS HB3 H 1 2.237 0.012 . 2 . . . . . . . . . 5327 2 276 . 2 2 23 23 GLN N N 15 120.417 0.13 . 1 . . . . . . . . . 5327 2 277 . 2 2 23 23 GLN H H 1 8.514 0.012 . 1 . . . . . . . . . 5327 2 278 . 2 2 23 23 GLN CA C 13 57.978 0.06 . 1 . . . . . . . . . 5327 2 279 . 2 2 23 23 GLN HA H 1 4.393 0.012 . 1 . . . . . . . . . 5327 2 280 . 2 2 23 23 GLN CB C 13 29.190 0.06 . 1 . . . . . . . . . 5327 2 281 . 2 2 23 23 GLN HB2 H 1 2.392 0.012 . 2 . . . . . . . . . 5327 2 282 . 2 2 23 23 GLN HB3 H 1 2.220 0.012 . 2 . . . . . . . . . 5327 2 283 . 2 2 23 23 GLN CG C 13 34.473 0.06 . 1 . . . . . . . . . 5327 2 284 . 2 2 23 23 GLN HG2 H 1 2.576 0.012 . 1 . . . . . . . . . 5327 2 285 . 2 2 23 23 GLN NE2 N 15 111.033 0.13 . 1 . . . . . . . . . 5327 2 286 . 2 2 23 23 GLN HE21 H 1 7.657 0.012 . 2 . . . . . . . . . 5327 2 287 . 2 2 23 23 GLN HE22 H 1 7.040 0.012 . 2 . . . . . . . . . 5327 2 288 . 2 2 24 24 ARG N N 15 119.733 0.13 . 1 . . . . . . . . . 5327 2 289 . 2 2 24 24 ARG H H 1 7.837 0.012 . 1 . . . . . . . . . 5327 2 290 . 2 2 24 24 ARG CA C 13 58.223 0.06 . 1 . . . . . . . . . 5327 2 291 . 2 2 24 24 ARG HA H 1 4.237 0.012 . 1 . . . . . . . . . 5327 2 292 . 2 2 24 24 ARG CB C 13 30.016 0.06 . 1 . . . . . . . . . 5327 2 293 . 2 2 24 24 ARG HB2 H 1 1.957 0.012 . 1 . . . . . . . . . 5327 2 294 . 2 2 24 24 ARG CG C 13 27.242 0.06 . 1 . . . . . . . . . 5327 2 295 . 2 2 24 24 ARG HG2 H 1 1.699 0.012 . 1 . . . . . . . . . 5327 2 296 . 2 2 24 24 ARG CD C 13 43.490 0.06 . 1 . . . . . . . . . 5327 2 297 . 2 2 24 24 ARG HD2 H 1 3.258 0.012 . 1 . . . . . . . . . 5327 2 298 . 2 2 25 25 ARG N N 15 120.309 0.13 . 1 . . . . . . . . . 5327 2 299 . 2 2 25 25 ARG H H 1 8.116 0.012 . 1 . . . . . . . . . 5327 2 300 . 2 2 25 25 ARG CA C 13 57.934 0.06 . 1 . . . . . . . . . 5327 2 301 . 2 2 25 25 ARG HA H 1 4.384 0.012 . 1 . . . . . . . . . 5327 2 302 . 2 2 25 25 ARG CB C 13 30.622 0.06 . 1 . . . . . . . . . 5327 2 303 . 2 2 25 25 ARG HB2 H 1 2.108 0.012 . 2 . . . . . . . . . 5327 2 304 . 2 2 25 25 ARG HB3 H 1 2.027 0.012 . 2 . . . . . . . . . 5327 2 305 . 2 2 25 25 ARG CG C 13 27.502 0.06 . 1 . . . . . . . . . 5327 2 306 . 2 2 25 25 ARG HG2 H 1 1.875 0.012 . 2 . . . . . . . . . 5327 2 307 . 2 2 25 25 ARG HG3 H 1 1.779 0.012 . 2 . . . . . . . . . 5327 2 308 . 2 2 25 25 ARG CD C 13 43.644 0.06 . 1 . . . . . . . . . 5327 2 309 . 2 2 25 25 ARG HD2 H 1 3.373 0.012 . 1 . . . . . . . . . 5327 2 310 . 2 2 26 26 GLU N N 15 121.100 0.13 . 1 . . . . . . . . . 5327 2 311 . 2 2 26 26 GLU H H 1 8.414 0.012 . 1 . . . . . . . . . 5327 2 312 . 2 2 26 26 GLU CA C 13 58.151 0.06 . 1 . . . . . . . . . 5327 2 313 . 2 2 26 26 GLU HA H 1 4.293 0.012 . 1 . . . . . . . . . 5327 2 314 . 2 2 26 26 GLU CB C 13 30.223 0.06 . 1 . . . . . . . . . 5327 2 315 . 2 2 26 26 GLU HB2 H 1 2.283 0.012 . 1 . . . . . . . . . 5327 2 316 . 2 2 26 26 GLU CG C 13 36.657 0.06 . 1 . . . . . . . . . 5327 2 317 . 2 2 26 26 GLU HG2 H 1 2.573 0.012 . 2 . . . . . . . . . 5327 2 318 . 2 2 26 26 GLU HG3 H 1 2.435 0.012 . 2 . . . . . . . . . 5327 2 319 . 2 2 27 27 GLN N N 15 118.982 0.13 . 1 . . . . . . . . . 5327 2 320 . 2 2 27 27 GLN H H 1 8.242 0.012 . 1 . . . . . . . . . 5327 2 321 . 2 2 27 27 GLN CA C 13 56.852 0.06 . 1 . . . . . . . . . 5327 2 322 . 2 2 27 27 GLN HA H 1 4.413 0.012 . 1 . . . . . . . . . 5327 2 323 . 2 2 27 27 GLN CB C 13 29.350 0.06 . 1 . . . . . . . . . 5327 2 324 . 2 2 27 27 GLN HB2 H 1 2.274 0.012 . 1 . . . . . . . . . 5327 2 325 . 2 2 27 27 GLN CG C 13 34.180 0.06 . 1 . . . . . . . . . 5327 2 326 . 2 2 27 27 GLN HG2 H 1 2.647 0.012 . 2 . . . . . . . . . 5327 2 327 . 2 2 27 27 GLN HG3 H 1 2.581 0.012 . 2 . . . . . . . . . 5327 2 328 . 2 2 27 27 GLN NE2 N 15 111.913 0.13 . 1 . . . . . . . . . 5327 2 329 . 2 2 27 27 GLN HE21 H 1 7.685 0.012 . 2 . . . . . . . . . 5327 2 330 . 2 2 27 27 GLN HE22 H 1 6.996 0.012 . 2 . . . . . . . . . 5327 2 331 . 2 2 28 28 ALA N N 15 123.858 0.13 . 1 . . . . . . . . . 5327 2 332 . 2 2 28 28 ALA H H 1 8.055 0.012 . 1 . . . . . . . . . 5327 2 333 . 2 2 28 28 ALA CA C 13 53.025 0.06 . 1 . . . . . . . . . 5327 2 334 . 2 2 28 28 ALA HA H 1 4.487 0.012 . 1 . . . . . . . . . 5327 2 335 . 2 2 28 28 ALA CB C 13 19.417 0.06 . 1 . . . . . . . . . 5327 2 336 . 2 2 28 28 ALA HB1 H 1 1.585 0.012 . 1 . . . . . . . . . 5327 2 337 . 2 2 28 28 ALA HB2 H 1 1.585 0.012 . 1 . . . . . . . . . 5327 2 338 . 2 2 28 28 ALA HB3 H 1 1.585 0.012 . 1 . . . . . . . . . 5327 2 339 . 2 2 29 29 ASN N N 15 122.373 0.13 . 1 . . . . . . . . . 5327 2 340 . 2 2 29 29 ASN H H 1 8.077 0.012 . 1 . . . . . . . . . 5327 2 341 . 2 2 29 29 ASN CA C 13 55.602 0.06 . 1 . . . . . . . . . 5327 2 342 . 2 2 29 29 ASN HA H 1 4.504 0.012 . 1 . . . . . . . . . 5327 2 343 . 2 2 29 29 ASN CB C 13 41.160 0.06 . 1 . . . . . . . . . 5327 2 344 . 2 2 29 29 ASN HB2 H 1 3.139 0.012 . 2 . . . . . . . . . 5327 2 345 . 2 2 29 29 ASN HB3 H 1 2.750 0.012 . 2 . . . . . . . . . 5327 2 346 . 2 2 30 30 GLY N N 15 114.200 0.13 . 1 . . . . . . . . . 5327 2 347 . 2 2 30 30 GLY H H 1 8.554 0.012 . 1 . . . . . . . . . 5327 2 348 . 2 2 30 30 GLY CA C 13 45.886 0.06 . 1 . . . . . . . . . 5327 2 349 . 2 2 30 30 GLY HA2 H 1 4.107 0.012 . 1 . . . . . . . . . 5327 2 350 . 2 2 31 31 GLU N N 15 120.053 0.13 . 1 . . . . . . . . . 5327 2 351 . 2 2 31 31 GLU H H 1 8.578 0.012 . 1 . . . . . . . . . 5327 2 352 . 2 2 31 31 GLU CA C 13 56.751 0.06 . 1 . . . . . . . . . 5327 2 353 . 2 2 31 31 GLU HA H 1 4.514 0.012 . 1 . . . . . . . . . 5327 2 354 . 2 2 31 31 GLU CB C 13 30.491 0.06 . 1 . . . . . . . . . 5327 2 355 . 2 2 31 31 GLU HB2 H 1 2.250 0.012 . 2 . . . . . . . . . 5327 2 356 . 2 2 31 31 GLU HB3 H 1 2.108 0.012 . 2 . . . . . . . . . 5327 2 357 . 2 2 31 31 GLU CG C 13 36.600 0.06 . 1 . . . . . . . . . 5327 2 358 . 2 2 31 31 GLU HG2 H 1 2.446 0.012 . 2 . . . . . . . . . 5327 2 359 . 2 2 31 31 GLU HG3 H 1 2.370 0.012 . 2 . . . . . . . . . 5327 2 360 . 2 2 32 32 VAL N N 15 121.707 0.13 . 1 . . . . . . . . . 5327 2 361 . 2 2 32 32 VAL H H 1 8.152 0.012 . 1 . . . . . . . . . 5327 2 362 . 2 2 32 32 VAL CA C 13 62.444 0.06 . 1 . . . . . . . . . 5327 2 363 . 2 2 32 32 VAL HA H 1 4.240 0.012 . 1 . . . . . . . . . 5327 2 364 . 2 2 32 32 VAL CB C 13 33.072 0.06 . 1 . . . . . . . . . 5327 2 365 . 2 2 32 32 VAL HB H 1 2.211 0.012 . 1 . . . . . . . . . 5327 2 366 . 2 2 32 32 VAL CG1 C 13 21.511 0.06 . 2 . . . . . . . . . 5327 2 367 . 2 2 32 32 VAL HG11 H 1 1.069 0.012 . 1 . . . . . . . . . 5327 2 368 . 2 2 32 32 VAL HG12 H 1 1.069 0.012 . 1 . . . . . . . . . 5327 2 369 . 2 2 32 32 VAL HG13 H 1 1.069 0.012 . 1 . . . . . . . . . 5327 2 370 . 2 2 33 33 ARG N N 15 126.089 0.13 . 1 . . . . . . . . . 5327 2 371 . 2 2 33 33 ARG H H 1 8.590 0.012 . 1 . . . . . . . . . 5327 2 372 . 2 2 33 33 ARG CA C 13 55.580 0.06 . 1 . . . . . . . . . 5327 2 373 . 2 2 33 33 ARG HA H 1 4.500 0.012 . 1 . . . . . . . . . 5327 2 374 . 2 2 33 33 ARG CB C 13 31.086 0.06 . 1 . . . . . . . . . 5327 2 375 . 2 2 33 33 ARG HB2 H 1 1.973 0.012 . 2 . . . . . . . . . 5327 2 376 . 2 2 33 33 ARG HB3 H 1 1.899 0.012 . 2 . . . . . . . . . 5327 2 377 . 2 2 33 33 ARG CG C 13 27.308 0.06 . 1 . . . . . . . . . 5327 2 378 . 2 2 33 33 ARG HG2 H 1 1.804 0.012 . 1 . . . . . . . . . 5327 2 379 . 2 2 33 33 ARG CD C 13 43.606 0.06 . 1 . . . . . . . . . 5327 2 380 . 2 2 33 33 ARG HD2 H 1 3.364 0.012 . 1 . . . . . . . . . 5327 2 381 . 2 2 34 34 ALA N N 15 126.314 0.13 . 1 . . . . . . . . . 5327 2 382 . 2 2 34 34 ALA H H 1 8.552 0.012 . 1 . . . . . . . . . 5327 2 383 . 2 2 34 34 ALA CA C 13 52.459 0.06 . 1 . . . . . . . . . 5327 2 384 . 2 2 34 34 ALA HA H 1 4.360 0.012 . 1 . . . . . . . . . 5327 2 385 . 2 2 34 34 ALA CB C 13 19.434 0.06 . 1 . . . . . . . . . 5327 2 386 . 2 2 34 34 ALA HB1 H 1 1.486 0.012 . 1 . . . . . . . . . 5327 2 387 . 2 2 34 34 ALA HB2 H 1 1.486 0.012 . 1 . . . . . . . . . 5327 2 388 . 2 2 34 34 ALA HB3 H 1 1.486 0.012 . 1 . . . . . . . . . 5327 2 389 . 2 2 35 35 CYS N N 15 124.864 0.13 . 1 . . . . . . . . . 5327 2 390 . 2 2 35 35 CYS H H 1 8.723 0.012 . 1 . . . . . . . . . 5327 2 391 . 2 2 35 35 CYS CA C 13 60.480 0.06 . 1 . . . . . . . . . 5327 2 392 . 2 2 35 35 CYS HA H 1 4.411 0.012 . 1 . . . . . . . . . 5327 2 393 . 2 2 35 35 CYS CB C 13 30.373 0.06 . 1 . . . . . . . . . 5327 2 394 . 2 2 35 35 CYS HB2 H 1 2.978 0.012 . 1 . . . . . . . . . 5327 2 395 . 2 2 36 36 SER CA C 13 57.932 0.06 . 1 . . . . . . . . . 5327 2 396 . 2 2 36 36 SER HA H 1 4.751 0.012 . 1 . . . . . . . . . 5327 2 397 . 2 2 36 36 SER CB C 13 64.122 0.06 . 1 . . . . . . . . . 5327 2 398 . 2 2 36 36 SER HB2 H 1 4.210 0.012 . 2 . . . . . . . . . 5327 2 399 . 2 2 36 36 SER HB3 H 1 3.997 0.012 . 2 . . . . . . . . . 5327 2 400 . 2 2 37 37 LEU CA C 13 54.023 0.06 . 1 . . . . . . . . . 5327 2 401 . 2 2 37 37 LEU HA H 1 4.569 0.012 . 1 . . . . . . . . . 5327 2 402 . 2 2 37 37 LEU CB C 13 41.915 0.06 . 1 . . . . . . . . . 5327 2 403 . 2 2 37 37 LEU HB2 H 1 1.566 0.012 . 1 . . . . . . . . . 5327 2 404 . 2 2 37 37 LEU CG C 13 26.526 0.06 . 1 . . . . . . . . . 5327 2 405 . 2 2 37 37 LEU HG H 1 1.625 0.012 . 1 . . . . . . . . . 5327 2 406 . 2 2 37 37 LEU CD1 C 13 24.449 0.06 . 2 . . . . . . . . . 5327 2 407 . 2 2 37 37 LEU HD11 H 1 0.729 0.012 . 1 . . . . . . . . . 5327 2 408 . 2 2 37 37 LEU HD12 H 1 0.729 0.012 . 1 . . . . . . . . . 5327 2 409 . 2 2 37 37 LEU HD13 H 1 0.729 0.012 . 1 . . . . . . . . . 5327 2 410 . 2 2 37 37 LEU CD2 C 13 24.052 0.06 . 2 . . . . . . . . . 5327 2 411 . 2 2 37 37 LEU HD21 H 1 0.453 0.012 . 1 . . . . . . . . . 5327 2 412 . 2 2 37 37 LEU HD22 H 1 0.453 0.012 . 1 . . . . . . . . . 5327 2 413 . 2 2 37 37 LEU HD23 H 1 0.453 0.012 . 1 . . . . . . . . . 5327 2 414 . 2 2 38 38 PRO CA C 13 64.591 0.06 . 1 . . . . . . . . . 5327 2 415 . 2 2 38 38 PRO HA H 1 4.212 0.012 . 1 . . . . . . . . . 5327 2 416 . 2 2 38 38 PRO CB C 13 31.708 0.06 . 1 . . . . . . . . . 5327 2 417 . 2 2 38 38 PRO HB2 H 1 2.030 0.012 . 2 . . . . . . . . . 5327 2 418 . 2 2 38 38 PRO HB3 H 1 1.636 0.012 . 2 . . . . . . . . . 5327 2 419 . 2 2 38 38 PRO CG C 13 27.968 0.06 . 1 . . . . . . . . . 5327 2 420 . 2 2 38 38 PRO HG2 H 1 2.037 0.012 . 1 . . . . . . . . . 5327 2 421 . 2 2 38 38 PRO CD C 13 51.282 0.06 . 1 . . . . . . . . . 5327 2 422 . 2 2 38 38 PRO HD2 H 1 4.279 0.012 . 2 . . . . . . . . . 5327 2 423 . 2 2 38 38 PRO HD3 H 1 3.742 0.012 . 2 . . . . . . . . . 5327 2 424 . 2 2 39 39 HIS CA C 13 60.533 0.06 . 1 . . . . . . . . . 5327 2 425 . 2 2 39 39 HIS HA H 1 4.416 0.012 . 1 . . . . . . . . . 5327 2 426 . 2 2 39 39 HIS CD2 C 13 128.400 0.06 . 1 . . . . . . . . . 5327 2 427 . 2 2 39 39 HIS HD2 H 1 7.415 0.012 . 2 . . . . . . . . . 5327 2 428 . 2 2 40 40 CYS CA C 13 64.396 0.06 . 1 . . . . . . . . . 5327 2 429 . 2 2 40 40 CYS HA H 1 4.164 0.012 . 1 . . . . . . . . . 5327 2 430 . 2 2 40 40 CYS CB C 13 29.120 0.06 . 1 . . . . . . . . . 5327 2 431 . 2 2 40 40 CYS HB2 H 1 3.271 0.012 . 2 . . . . . . . . . 5327 2 432 . 2 2 40 40 CYS HB3 H 1 2.893 0.012 . 2 . . . . . . . . . 5327 2 433 . 2 2 41 41 ARG CA C 13 59.403 0.06 . 1 . . . . . . . . . 5327 2 434 . 2 2 41 41 ARG HA H 1 4.097 0.012 . 1 . . . . . . . . . 5327 2 435 . 2 2 41 41 ARG CB C 13 28.880 0.06 . 1 . . . . . . . . . 5327 2 436 . 2 2 41 41 ARG HB2 H 1 2.178 0.012 . 2 . . . . . . . . . 5327 2 437 . 2 2 41 41 ARG HB3 H 1 2.143 0.012 . 2 . . . . . . . . . 5327 2 438 . 2 2 41 41 ARG CG C 13 26.404 0.06 . 1 . . . . . . . . . 5327 2 439 . 2 2 41 41 ARG HG2 H 1 1.959 0.012 . 2 . . . . . . . . . 5327 2 440 . 2 2 41 41 ARG HG3 H 1 1.877 0.012 . 2 . . . . . . . . . 5327 2 441 . 2 2 41 41 ARG CD C 13 42.870 0.06 . 1 . . . . . . . . . 5327 2 442 . 2 2 41 41 ARG HD2 H 1 3.484 0.012 . 2 . . . . . . . . . 5327 2 443 . 2 2 41 41 ARG HD3 H 1 3.433 0.012 . 2 . . . . . . . . . 5327 2 444 . 2 2 42 42 THR N N 15 114.990 0.13 . 1 . . . . . . . . . 5327 2 445 . 2 2 42 42 THR H H 1 7.886 0.012 . 1 . . . . . . . . . 5327 2 446 . 2 2 42 42 THR CA C 13 66.564 0.06 . 1 . . . . . . . . . 5327 2 447 . 2 2 42 42 THR HA H 1 4.132 0.012 . 1 . . . . . . . . . 5327 2 448 . 2 2 42 42 THR CB C 13 68.971 0.06 . 1 . . . . . . . . . 5327 2 449 . 2 2 42 42 THR HB H 1 4.442 0.012 . 1 . . . . . . . . . 5327 2 450 . 2 2 42 42 THR CG2 C 13 22.023 0.06 . 1 . . . . . . . . . 5327 2 451 . 2 2 42 42 THR HG21 H 1 1.416 0.012 . 1 . . . . . . . . . 5327 2 452 . 2 2 42 42 THR HG22 H 1 1.416 0.012 . 1 . . . . . . . . . 5327 2 453 . 2 2 42 42 THR HG23 H 1 1.416 0.012 . 1 . . . . . . . . . 5327 2 454 . 2 2 43 43 MET N N 15 120.134 0.13 . 1 . . . . . . . . . 5327 2 455 . 2 2 43 43 MET H H 1 8.241 0.012 . 1 . . . . . . . . . 5327 2 456 . 2 2 43 43 MET CA C 13 57.129 0.06 . 1 . . . . . . . . . 5327 2 457 . 2 2 43 43 MET HA H 1 4.689 0.012 . 1 . . . . . . . . . 5327 2 458 . 2 2 43 43 MET CB C 13 32.168 0.06 . 1 . . . . . . . . . 5327 2 459 . 2 2 43 43 MET HB2 H 1 2.419 0.012 . 2 . . . . . . . . . 5327 2 460 . 2 2 43 43 MET HB3 H 1 2.016 0.012 . 2 . . . . . . . . . 5327 2 461 . 2 2 43 43 MET CG C 13 33.924 0.06 . 1 . . . . . . . . . 5327 2 462 . 2 2 43 43 MET HG2 H 1 2.737 0.012 . 2 . . . . . . . . . 5327 2 463 . 2 2 43 43 MET HG3 H 1 2.703 0.012 . 2 . . . . . . . . . 5327 2 464 . 2 2 43 43 MET CE C 13 18.235 0.06 . 1 . . . . . . . . . 5327 2 465 . 2 2 43 43 MET HE1 H 1 1.832 0.012 . 1 . . . . . . . . . 5327 2 466 . 2 2 43 43 MET HE2 H 1 1.832 0.012 . 1 . . . . . . . . . 5327 2 467 . 2 2 43 43 MET HE3 H 1 1.832 0.012 . 1 . . . . . . . . . 5327 2 468 . 2 2 44 44 LYS N N 15 122.808 0.13 . 1 . . . . . . . . . 5327 2 469 . 2 2 44 44 LYS H H 1 9.366 0.012 . 1 . . . . . . . . . 5327 2 470 . 2 2 44 44 LYS CA C 13 61.367 0.06 . 1 . . . . . . . . . 5327 2 471 . 2 2 44 44 LYS HA H 1 4.076 0.012 . 1 . . . . . . . . . 5327 2 472 . 2 2 44 44 LYS CB C 13 33.040 0.06 . 1 . . . . . . . . . 5327 2 473 . 2 2 44 44 LYS HB2 H 1 2.250 0.012 . 2 . . . . . . . . . 5327 2 474 . 2 2 44 44 LYS HB3 H 1 2.010 0.012 . 2 . . . . . . . . . 5327 2 475 . 2 2 44 44 LYS CG C 13 27.668 0.06 . 1 . . . . . . . . . 5327 2 476 . 2 2 44 44 LYS HG2 H 1 2.182 0.012 . 2 . . . . . . . . . 5327 2 477 . 2 2 44 44 LYS HG3 H 1 1.396 0.012 . 2 . . . . . . . . . 5327 2 478 . 2 2 44 44 LYS CD C 13 30.536 0.06 . 1 . . . . . . . . . 5327 2 479 . 2 2 44 44 LYS HD2 H 1 1.808 0.012 . 2 . . . . . . . . . 5327 2 480 . 2 2 44 44 LYS HD3 H 1 1.855 0.012 . 2 . . . . . . . . . 5327 2 481 . 2 2 44 44 LYS CE C 13 42.660 0.06 . 1 . . . . . . . . . 5327 2 482 . 2 2 44 44 LYS HE2 H 1 3.455 0.012 . 2 . . . . . . . . . 5327 2 483 . 2 2 44 44 LYS HE3 H 1 2.899 0.012 . 2 . . . . . . . . . 5327 2 484 . 2 2 45 45 ASN N N 15 117.603 0.13 . 1 . . . . . . . . . 5327 2 485 . 2 2 45 45 ASN H H 1 8.162 0.012 . 1 . . . . . . . . . 5327 2 486 . 2 2 45 45 ASN CA C 13 56.218 0.06 . 1 . . . . . . . . . 5327 2 487 . 2 2 45 45 ASN HA H 1 4.745 0.012 . 1 . . . . . . . . . 5327 2 488 . 2 2 45 45 ASN CB C 13 37.651 0.06 . 1 . . . . . . . . . 5327 2 489 . 2 2 45 45 ASN HB2 H 1 3.378 0.012 . 2 . . . . . . . . . 5327 2 490 . 2 2 45 45 ASN HB3 H 1 3.100 0.012 . 2 . . . . . . . . . 5327 2 491 . 2 2 45 45 ASN ND2 N 15 112.453 0.13 . 1 . . . . . . . . . 5327 2 492 . 2 2 45 45 ASN HD21 H 1 7.955 0.012 . 2 . . . . . . . . . 5327 2 493 . 2 2 45 45 ASN HD22 H 1 7.143 0.012 . 2 . . . . . . . . . 5327 2 494 . 2 2 46 46 VAL N N 15 123.794 0.13 . 1 . . . . . . . . . 5327 2 495 . 2 2 46 46 VAL H H 1 8.355 0.012 . 1 . . . . . . . . . 5327 2 496 . 2 2 46 46 VAL CA C 13 67.476 0.06 . 1 . . . . . . . . . 5327 2 497 . 2 2 46 46 VAL HA H 1 3.930 0.012 . 1 . . . . . . . . . 5327 2 498 . 2 2 46 46 VAL CB C 13 31.978 0.06 . 1 . . . . . . . . . 5327 2 499 . 2 2 46 46 VAL HB H 1 2.575 0.012 . 1 . . . . . . . . . 5327 2 500 . 2 2 46 46 VAL CG2 C 13 23.757 0.06 . 2 . . . . . . . . . 5327 2 501 . 2 2 46 46 VAL HG21 H 1 1.422 0.012 . 1 . . . . . . . . . 5327 2 502 . 2 2 46 46 VAL HG22 H 1 1.422 0.012 . 1 . . . . . . . . . 5327 2 503 . 2 2 46 46 VAL HG23 H 1 1.422 0.012 . 1 . . . . . . . . . 5327 2 504 . 2 2 46 46 VAL CG1 C 13 21.294 0.06 . 2 . . . . . . . . . 5327 2 505 . 2 2 46 46 VAL HG11 H 1 1.148 0.012 . 1 . . . . . . . . . 5327 2 506 . 2 2 46 46 VAL HG12 H 1 1.148 0.012 . 1 . . . . . . . . . 5327 2 507 . 2 2 46 46 VAL HG13 H 1 1.148 0.012 . 1 . . . . . . . . . 5327 2 508 . 2 2 47 47 LEU N N 15 121.847 0.13 . 1 . . . . . . . . . 5327 2 509 . 2 2 47 47 LEU H H 1 8.859 0.012 . 1 . . . . . . . . . 5327 2 510 . 2 2 47 47 LEU CA C 13 59.193 0.06 . 1 . . . . . . . . . 5327 2 511 . 2 2 47 47 LEU HA H 1 4.089 0.012 . 1 . . . . . . . . . 5327 2 512 . 2 2 47 47 LEU CB C 13 42.062 0.06 . 1 . . . . . . . . . 5327 2 513 . 2 2 47 47 LEU HB2 H 1 1.685 0.012 . 2 . . . . . . . . . 5327 2 514 . 2 2 47 47 LEU HB3 H 1 2.178 0.012 . 2 . . . . . . . . . 5327 2 515 . 2 2 47 47 LEU CG C 13 27.319 0.06 . 1 . . . . . . . . . 5327 2 516 . 2 2 47 47 LEU HG H 1 1.929 0.012 . 1 . . . . . . . . . 5327 2 517 . 2 2 47 47 LEU CD1 C 13 25.780 0.06 . 2 . . . . . . . . . 5327 2 518 . 2 2 47 47 LEU HD11 H 1 1.086 0.012 . 1 . . . . . . . . . 5327 2 519 . 2 2 47 47 LEU HD12 H 1 1.086 0.012 . 1 . . . . . . . . . 5327 2 520 . 2 2 47 47 LEU HD13 H 1 1.086 0.012 . 1 . . . . . . . . . 5327 2 521 . 2 2 47 47 LEU CD2 C 13 24.155 0.06 . 2 . . . . . . . . . 5327 2 522 . 2 2 47 47 LEU HD21 H 1 0.933 0.012 . 1 . . . . . . . . . 5327 2 523 . 2 2 47 47 LEU HD22 H 1 0.933 0.012 . 1 . . . . . . . . . 5327 2 524 . 2 2 47 47 LEU HD23 H 1 0.933 0.012 . 1 . . . . . . . . . 5327 2 525 . 2 2 48 48 ASN N N 15 116.125 0.13 . 1 . . . . . . . . . 5327 2 526 . 2 2 48 48 ASN H H 1 8.258 0.012 . 1 . . . . . . . . . 5327 2 527 . 2 2 48 48 ASN CA C 13 56.175 0.06 . 1 . . . . . . . . . 5327 2 528 . 2 2 48 48 ASN HA H 1 4.649 0.012 . 1 . . . . . . . . . 5327 2 529 . 2 2 48 48 ASN CB C 13 38.452 0.06 . 1 . . . . . . . . . 5327 2 530 . 2 2 48 48 ASN HB2 H 1 3.113 0.012 . 1 . . . . . . . . . 5327 2 531 . 2 2 48 48 ASN ND2 N 15 112.768 0.13 . 1 . . . . . . . . . 5327 2 532 . 2 2 48 48 ASN HD21 H 1 7.927 0.012 . 2 . . . . . . . . . 5327 2 533 . 2 2 48 48 ASN HD22 H 1 7.389 0.012 . 2 . . . . . . . . . 5327 2 534 . 2 2 49 49 HIS N N 15 118.880 0.13 . 1 . . . . . . . . . 5327 2 535 . 2 2 49 49 HIS H H 1 8.051 0.012 . 1 . . . . . . . . . 5327 2 536 . 2 2 49 49 HIS CA C 13 59.155 0.06 . 1 . . . . . . . . . 5327 2 537 . 2 2 49 49 HIS HA H 1 4.574 0.012 . 1 . . . . . . . . . 5327 2 538 . 2 2 49 49 HIS CB C 13 28.149 0.06 . 1 . . . . . . . . . 5327 2 539 . 2 2 49 49 HIS HB2 H 1 3.576 0.012 . 2 . . . . . . . . . 5327 2 540 . 2 2 49 49 HIS HB3 H 1 3.694 0.012 . 2 . . . . . . . . . 5327 2 541 . 2 2 49 49 HIS CD2 C 13 128.384 0.06 . 1 . . . . . . . . . 5327 2 542 . 2 2 49 49 HIS HD2 H 1 7.398 0.012 . 2 . . . . . . . . . 5327 2 543 . 2 2 49 49 HIS CE1 C 13 139.241 0.06 . 1 . . . . . . . . . 5327 2 544 . 2 2 49 49 HIS HE1 H 1 8.164 0.012 . 1 . . . . . . . . . 5327 2 545 . 2 2 50 50 MET N N 15 119.893 0.13 . 1 . . . . . . . . . 5327 2 546 . 2 2 50 50 MET H H 1 9.595 0.012 . 1 . . . . . . . . . 5327 2 547 . 2 2 50 50 MET CA C 13 59.680 0.06 . 1 . . . . . . . . . 5327 2 548 . 2 2 50 50 MET HA H 1 3.969 0.012 . 1 . . . . . . . . . 5327 2 549 . 2 2 50 50 MET CB C 13 34.600 0.06 . 1 . . . . . . . . . 5327 2 550 . 2 2 50 50 MET HB2 H 1 2.539 0.012 . 2 . . . . . . . . . 5327 2 551 . 2 2 50 50 MET HB3 H 1 2.315 0.012 . 2 . . . . . . . . . 5327 2 552 . 2 2 50 50 MET CG C 13 30.444 0.06 . 1 . . . . . . . . . 5327 2 553 . 2 2 50 50 MET HG2 H 1 3.108 0.012 . 2 . . . . . . . . . 5327 2 554 . 2 2 50 50 MET HG3 H 1 3.045 0.012 . 2 . . . . . . . . . 5327 2 555 . 2 2 50 50 MET CE C 13 16.695 0.06 . 1 . . . . . . . . . 5327 2 556 . 2 2 50 50 MET HE1 H 1 2.085 0.012 . 1 . . . . . . . . . 5327 2 557 . 2 2 50 50 MET HE2 H 1 2.085 0.012 . 1 . . . . . . . . . 5327 2 558 . 2 2 50 50 MET HE3 H 1 2.085 0.012 . 1 . . . . . . . . . 5327 2 559 . 2 2 51 51 THR N N 15 110.037 0.13 . 1 . . . . . . . . . 5327 2 560 . 2 2 51 51 THR H H 1 7.987 0.012 . 1 . . . . . . . . . 5327 2 561 . 2 2 51 51 THR CA C 13 65.478 0.06 . 1 . . . . . . . . . 5327 2 562 . 2 2 51 51 THR HA H 1 3.849 0.012 . 1 . . . . . . . . . 5327 2 563 . 2 2 51 51 THR CB C 13 69.086 0.06 . 1 . . . . . . . . . 5327 2 564 . 2 2 51 51 THR HB H 1 4.172 0.012 . 1 . . . . . . . . . 5327 2 565 . 2 2 51 51 THR CG2 C 13 21.838 0.06 . 1 . . . . . . . . . 5327 2 566 . 2 2 51 51 THR HG21 H 1 1.312 0.012 . 1 . . . . . . . . . 5327 2 567 . 2 2 51 51 THR HG22 H 1 1.312 0.012 . 1 . . . . . . . . . 5327 2 568 . 2 2 51 51 THR HG23 H 1 1.312 0.012 . 1 . . . . . . . . . 5327 2 569 . 2 2 52 52 HIS N N 15 115.951 0.13 . 1 . . . . . . . . . 5327 2 570 . 2 2 52 52 HIS H H 1 7.166 0.012 . 1 . . . . . . . . . 5327 2 571 . 2 2 52 52 HIS CA C 13 55.299 0.06 . 1 . . . . . . . . . 5327 2 572 . 2 2 52 52 HIS HA H 1 4.962 0.012 . 1 . . . . . . . . . 5327 2 573 . 2 2 52 52 HIS CB C 13 30.089 0.06 . 1 . . . . . . . . . 5327 2 574 . 2 2 52 52 HIS HB2 H 1 3.170 0.012 . 2 . . . . . . . . . 5327 2 575 . 2 2 52 52 HIS HB3 H 1 3.618 0.012 . 2 . . . . . . . . . 5327 2 576 . 2 2 52 52 HIS CD2 C 13 120.425 0.06 . 1 . . . . . . . . . 5327 2 577 . 2 2 52 52 HIS HD2 H 1 7.499 0.012 . 2 . . . . . . . . . 5327 2 578 . 2 2 52 52 HIS CE1 C 13 43.389 0.06 . 1 . . . . . . . . . 5327 2 579 . 2 2 52 52 HIS HE1 H 1 8.510 0.012 . 1 . . . . . . . . . 5327 2 580 . 2 2 53 53 CYS N N 15 123.965 0.13 . 1 . . . . . . . . . 5327 2 581 . 2 2 53 53 CYS H H 1 7.186 0.012 . 1 . . . . . . . . . 5327 2 582 . 2 2 53 53 CYS CA C 13 60.341 0.06 . 1 . . . . . . . . . 5327 2 583 . 2 2 53 53 CYS HA H 1 4.255 0.012 . 1 . . . . . . . . . 5327 2 584 . 2 2 53 53 CYS CB C 13 30.280 0.06 . 1 . . . . . . . . . 5327 2 585 . 2 2 53 53 CYS HB2 H 1 2.138 0.012 . 2 . . . . . . . . . 5327 2 586 . 2 2 53 53 CYS HB3 H 1 2.667 0.012 . 2 . . . . . . . . . 5327 2 587 . 2 2 54 54 GLN N N 15 129.242 0.13 . 1 . . . . . . . . . 5327 2 588 . 2 2 54 54 GLN H H 1 9.294 0.012 . 1 . . . . . . . . . 5327 2 589 . 2 2 54 54 GLN CA C 13 55.529 0.06 . 1 . . . . . . . . . 5327 2 590 . 2 2 54 54 GLN HA H 1 4.902 0.012 . 1 . . . . . . . . . 5327 2 591 . 2 2 54 54 GLN CB C 13 34.177 0.06 . 1 . . . . . . . . . 5327 2 592 . 2 2 54 54 GLN HB2 H 1 2.043 0.012 . 2 . . . . . . . . . 5327 2 593 . 2 2 54 54 GLN HB3 H 1 2.639 0.012 . 2 . . . . . . . . . 5327 2 594 . 2 2 54 54 GLN HG2 H 1 2.594 0.012 . 2 . . . . . . . . . 5327 2 595 . 2 2 54 54 GLN HG3 H 1 2.541 0.012 . 2 . . . . . . . . . 5327 2 596 . 2 2 54 54 GLN NE2 N 15 112.270 0.13 . 1 . . . . . . . . . 5327 2 597 . 2 2 54 54 GLN HE21 H 1 7.621 0.012 . 2 . . . . . . . . . 5327 2 598 . 2 2 54 54 GLN HE22 H 1 7.002 0.012 . 2 . . . . . . . . . 5327 2 599 . 2 2 55 55 ALA N N 15 125.272 0.13 . 1 . . . . . . . . . 5327 2 600 . 2 2 55 55 ALA H H 1 8.921 0.012 . 1 . . . . . . . . . 5327 2 601 . 2 2 55 55 ALA CA C 13 53.321 0.06 . 1 . . . . . . . . . 5327 2 602 . 2 2 55 55 ALA HA H 1 4.558 0.012 . 1 . . . . . . . . . 5327 2 603 . 2 2 55 55 ALA CB C 13 19.925 0.06 . 1 . . . . . . . . . 5327 2 604 . 2 2 55 55 ALA HB1 H 1 1.611 0.012 . 1 . . . . . . . . . 5327 2 605 . 2 2 55 55 ALA HB2 H 1 1.611 0.012 . 1 . . . . . . . . . 5327 2 606 . 2 2 55 55 ALA HB3 H 1 1.611 0.012 . 1 . . . . . . . . . 5327 2 607 . 2 2 56 56 GLY N N 15 107.778 0.13 . 1 . . . . . . . . . 5327 2 608 . 2 2 56 56 GLY H H 1 8.234 0.012 . 1 . . . . . . . . . 5327 2 609 . 2 2 56 56 GLY CA C 13 46.488 0.06 . 1 . . . . . . . . . 5327 2 610 . 2 2 56 56 GLY HA2 H 1 4.114 0.012 . 2 . . . . . . . . . 5327 2 611 . 2 2 56 56 GLY HA3 H 1 3.688 0.012 . 2 . . . . . . . . . 5327 2 612 . 2 2 57 57 LYS N N 15 125.941 0.13 . 1 . . . . . . . . . 5327 2 613 . 2 2 57 57 LYS H H 1 9.272 0.012 . 1 . . . . . . . . . 5327 2 614 . 2 2 57 57 LYS CA C 13 58.895 0.06 . 1 . . . . . . . . . 5327 2 615 . 2 2 57 57 LYS HA H 1 4.276 0.012 . 1 . . . . . . . . . 5327 2 616 . 2 2 57 57 LYS CB C 13 32.265 0.06 . 1 . . . . . . . . . 5327 2 617 . 2 2 57 57 LYS HB2 H 1 2.040 0.012 . 2 . . . . . . . . . 5327 2 618 . 2 2 57 57 LYS HB3 H 1 1.994 0.012 . 2 . . . . . . . . . 5327 2 619 . 2 2 57 57 LYS CG C 13 25.570 0.06 . 1 . . . . . . . . . 5327 2 620 . 2 2 57 57 LYS HG2 H 1 1.651 0.012 . 1 . . . . . . . . . 5327 2 621 . 2 2 57 57 LYS CD C 13 29.839 0.06 . 1 . . . . . . . . . 5327 2 622 . 2 2 57 57 LYS HD2 H 1 1.882 0.012 . 1 . . . . . . . . . 5327 2 623 . 2 2 57 57 LYS CE C 13 42.141 0.06 . 1 . . . . . . . . . 5327 2 624 . 2 2 57 57 LYS HE2 H 1 3.149 0.012 . 1 . . . . . . . . . 5327 2 625 . 2 2 58 58 ALA N N 15 119.343 0.13 . 1 . . . . . . . . . 5327 2 626 . 2 2 58 58 ALA H H 1 7.799 0.012 . 1 . . . . . . . . . 5327 2 627 . 2 2 58 58 ALA CA C 13 51.776 0.06 . 1 . . . . . . . . . 5327 2 628 . 2 2 58 58 ALA HA H 1 4.561 0.012 . 1 . . . . . . . . . 5327 2 629 . 2 2 58 58 ALA CB C 13 19.160 0.06 . 1 . . . . . . . . . 5327 2 630 . 2 2 58 58 ALA HB1 H 1 1.654 0.012 . 1 . . . . . . . . . 5327 2 631 . 2 2 58 58 ALA HB2 H 1 1.654 0.012 . 1 . . . . . . . . . 5327 2 632 . 2 2 58 58 ALA HB3 H 1 1.654 0.012 . 1 . . . . . . . . . 5327 2 633 . 2 2 59 59 CYS N N 15 122.098 0.13 . 1 . . . . . . . . . 5327 2 634 . 2 2 59 59 CYS H H 1 7.581 0.012 . 1 . . . . . . . . . 5327 2 635 . 2 2 59 59 CYS CA C 13 62.633 0.06 . 1 . . . . . . . . . 5327 2 636 . 2 2 59 59 CYS HA H 1 4.003 0.012 . 1 . . . . . . . . . 5327 2 637 . 2 2 59 59 CYS CB C 13 29.924 0.06 . 1 . . . . . . . . . 5327 2 638 . 2 2 59 59 CYS HB2 H 1 2.996 0.012 . 1 . . . . . . . . . 5327 2 639 . 2 2 60 60 GLN N N 15 129.797 0.13 . 1 . . . . . . . . . 5327 2 640 . 2 2 60 60 GLN H H 1 9.271 0.012 . 1 . . . . . . . . . 5327 2 641 . 2 2 60 60 GLN CA C 13 55.828 0.06 . 1 . . . . . . . . . 5327 2 642 . 2 2 60 60 GLN HA H 1 4.633 0.012 . 1 . . . . . . . . . 5327 2 643 . 2 2 60 60 GLN CB C 13 29.578 0.06 . 1 . . . . . . . . . 5327 2 644 . 2 2 60 60 GLN HB2 H 1 2.080 0.012 . 2 . . . . . . . . . 5327 2 645 . 2 2 60 60 GLN HB3 H 1 2.583 0.012 . 2 . . . . . . . . . 5327 2 646 . 2 2 60 60 GLN CG C 13 34.228 0.06 . 1 . . . . . . . . . 5327 2 647 . 2 2 60 60 GLN HG2 H 1 2.656 0.012 . 2 . . . . . . . . . 5327 2 648 . 2 2 60 60 GLN HG3 H 1 2.571 0.012 . 2 . . . . . . . . . 5327 2 649 . 2 2 60 60 GLN NE2 N 15 113.432 0.13 . 1 . . . . . . . . . 5327 2 650 . 2 2 60 60 GLN HE21 H 1 7.609 0.012 . 2 . . . . . . . . . 5327 2 651 . 2 2 60 60 GLN HE22 H 1 7.015 0.012 . 2 . . . . . . . . . 5327 2 652 . 2 2 61 61 VAL N N 15 127.947 0.13 . 1 . . . . . . . . . 5327 2 653 . 2 2 61 61 VAL H H 1 9.466 0.012 . 1 . . . . . . . . . 5327 2 654 . 2 2 61 61 VAL CA C 13 64.576 0.06 . 1 . . . . . . . . . 5327 2 655 . 2 2 61 61 VAL HA H 1 3.774 0.012 . 1 . . . . . . . . . 5327 2 656 . 2 2 61 61 VAL CB C 13 30.813 0.06 . 1 . . . . . . . . . 5327 2 657 . 2 2 61 61 VAL HB H 1 2.064 0.012 . 1 . . . . . . . . . 5327 2 658 . 2 2 61 61 VAL CG2 C 13 22.941 0.06 . 2 . . . . . . . . . 5327 2 659 . 2 2 61 61 VAL HG21 H 1 0.742 0.012 . 1 . . . . . . . . . 5327 2 660 . 2 2 61 61 VAL HG22 H 1 0.742 0.012 . 1 . . . . . . . . . 5327 2 661 . 2 2 61 61 VAL HG23 H 1 0.742 0.012 . 1 . . . . . . . . . 5327 2 662 . 2 2 61 61 VAL CG1 C 13 20.425 0.06 . 2 . . . . . . . . . 5327 2 663 . 2 2 61 61 VAL HG11 H 1 0.606 0.012 . 1 . . . . . . . . . 5327 2 664 . 2 2 61 61 VAL HG12 H 1 0.606 0.012 . 1 . . . . . . . . . 5327 2 665 . 2 2 61 61 VAL HG13 H 1 0.606 0.012 . 1 . . . . . . . . . 5327 2 666 . 2 2 62 62 ALA N N 15 134.534 0.13 . 1 . . . . . . . . . 5327 2 667 . 2 2 62 62 ALA H H 1 8.829 0.012 . 1 . . . . . . . . . 5327 2 668 . 2 2 62 62 ALA CA C 13 54.505 0.06 . 1 . . . . . . . . . 5327 2 669 . 2 2 62 62 ALA HA H 1 3.862 0.012 . 1 . . . . . . . . . 5327 2 670 . 2 2 62 62 ALA CB C 13 17.870 0.06 . 1 . . . . . . . . . 5327 2 671 . 2 2 62 62 ALA HB1 H 1 1.056 0.012 . 1 . . . . . . . . . 5327 2 672 . 2 2 62 62 ALA HB2 H 1 1.056 0.012 . 1 . . . . . . . . . 5327 2 673 . 2 2 62 62 ALA HB3 H 1 1.056 0.012 . 1 . . . . . . . . . 5327 2 674 . 2 2 63 63 HIS N N 15 110.451 0.13 . 1 . . . . . . . . . 5327 2 675 . 2 2 63 63 HIS H H 1 8.161 0.012 . 1 . . . . . . . . . 5327 2 676 . 2 2 63 63 HIS CA C 13 57.408 0.06 . 1 . . . . . . . . . 5327 2 677 . 2 2 63 63 HIS HA H 1 4.604 0.012 . 1 . . . . . . . . . 5327 2 678 . 2 2 63 63 HIS CB C 13 29.564 0.06 . 1 . . . . . . . . . 5327 2 679 . 2 2 63 63 HIS HB2 H 1 3.844 0.012 . 2 . . . . . . . . . 5327 2 680 . 2 2 63 63 HIS HB3 H 1 3.015 0.012 . 2 . . . . . . . . . 5327 2 681 . 2 2 63 63 HIS CD2 C 13 117.522 0.06 . 1 . . . . . . . . . 5327 2 682 . 2 2 63 63 HIS HD2 H 1 6.669 0.012 . 2 . . . . . . . . . 5327 2 683 . 2 2 64 64 CYS N N 15 126.924 0.13 . 1 . . . . . . . . . 5327 2 684 . 2 2 64 64 CYS H H 1 8.233 0.012 . 1 . . . . . . . . . 5327 2 685 . 2 2 64 64 CYS CA C 13 64.209 0.06 . 1 . . . . . . . . . 5327 2 686 . 2 2 64 64 CYS HA H 1 4.367 0.012 . 1 . . . . . . . . . 5327 2 687 . 2 2 64 64 CYS CB C 13 30.170 0.06 . 1 . . . . . . . . . 5327 2 688 . 2 2 64 64 CYS HB2 H 1 2.718 0.012 . 2 . . . . . . . . . 5327 2 689 . 2 2 64 64 CYS HB3 H 1 3.502 0.012 . 2 . . . . . . . . . 5327 2 690 . 2 2 65 65 ALA N N 15 119.360 0.13 . 1 . . . . . . . . . 5327 2 691 . 2 2 65 65 ALA H H 1 9.002 0.012 . 1 . . . . . . . . . 5327 2 692 . 2 2 65 65 ALA CA C 13 55.583 0.06 . 1 . . . . . . . . . 5327 2 693 . 2 2 65 65 ALA HA H 1 4.510 0.012 . 1 . . . . . . . . . 5327 2 694 . 2 2 65 65 ALA CB C 13 18.198 0.06 . 1 . . . . . . . . . 5327 2 695 . 2 2 65 65 ALA HB1 H 1 1.694 0.012 . 1 . . . . . . . . . 5327 2 696 . 2 2 65 65 ALA HB2 H 1 1.694 0.012 . 1 . . . . . . . . . 5327 2 697 . 2 2 65 65 ALA HB3 H 1 1.694 0.012 . 1 . . . . . . . . . 5327 2 698 . 2 2 66 66 SER N N 15 114.757 0.13 . 1 . . . . . . . . . 5327 2 699 . 2 2 66 66 SER H H 1 9.253 0.012 . 1 . . . . . . . . . 5327 2 700 . 2 2 66 66 SER CA C 13 60.462 0.06 . 1 . . . . . . . . . 5327 2 701 . 2 2 66 66 SER HA H 1 4.264 0.012 . 1 . . . . . . . . . 5327 2 702 . 2 2 66 66 SER CB C 13 62.191 0.06 . 1 . . . . . . . . . 5327 2 703 . 2 2 66 66 SER HB2 H 1 4.027 0.012 . 2 . . . . . . . . . 5327 2 704 . 2 2 66 66 SER HB3 H 1 3.961 0.012 . 2 . . . . . . . . . 5327 2 705 . 2 2 67 67 SER N N 15 120.391 0.13 . 1 . . . . . . . . . 5327 2 706 . 2 2 67 67 SER H H 1 7.945 0.012 . 1 . . . . . . . . . 5327 2 707 . 2 2 67 67 SER CA C 13 64.331 0.06 . 1 . . . . . . . . . 5327 2 708 . 2 2 67 67 SER HA H 1 4.164 0.012 . 1 . . . . . . . . . 5327 2 709 . 2 2 67 67 SER CB C 13 62.701 0.06 . 1 . . . . . . . . . 5327 2 710 . 2 2 67 67 SER HB2 H 1 3.722 0.012 . 2 . . . . . . . . . 5327 2 711 . 2 2 67 67 SER HB3 H 1 4.820 0.012 . 2 . . . . . . . . . 5327 2 712 . 2 2 68 68 ARG N N 15 124.093 0.13 . 1 . . . . . . . . . 5327 2 713 . 2 2 68 68 ARG H H 1 9.197 0.012 . 1 . . . . . . . . . 5327 2 714 . 2 2 68 68 ARG CA C 13 60.830 0.06 . 1 . . . . . . . . . 5327 2 715 . 2 2 68 68 ARG HA H 1 3.871 0.012 . 1 . . . . . . . . . 5327 2 716 . 2 2 68 68 ARG CB C 13 30.857 0.06 . 1 . . . . . . . . . 5327 2 717 . 2 2 68 68 ARG HB2 H 1 2.324 0.012 . 2 . . . . . . . . . 5327 2 718 . 2 2 68 68 ARG HB3 H 1 2.072 0.012 . 2 . . . . . . . . . 5327 2 719 . 2 2 68 68 ARG CG C 13 28.240 0.06 . 1 . . . . . . . . . 5327 2 720 . 2 2 68 68 ARG HG2 H 1 1.888 0.012 . 2 . . . . . . . . . 5327 2 721 . 2 2 68 68 ARG HG3 H 1 1.629 0.012 . 2 . . . . . . . . . 5327 2 722 . 2 2 68 68 ARG CD C 13 42.140 0.06 . 1 . . . . . . . . . 5327 2 723 . 2 2 68 68 ARG HD2 H 1 3.150 0.012 . 1 . . . . . . . . . 5327 2 724 . 2 2 69 69 GLN N N 15 122.178 0.13 . 1 . . . . . . . . . 5327 2 725 . 2 2 69 69 GLN H H 1 8.403 0.012 . 1 . . . . . . . . . 5327 2 726 . 2 2 69 69 GLN CA C 13 59.639 0.06 . 1 . . . . . . . . . 5327 2 727 . 2 2 69 69 GLN HA H 1 4.038 0.012 . 1 . . . . . . . . . 5327 2 728 . 2 2 69 69 GLN CB C 13 27.295 0.06 . 1 . . . . . . . . . 5327 2 729 . 2 2 69 69 GLN HB2 H 1 2.600 0.012 . 2 . . . . . . . . . 5327 2 730 . 2 2 69 69 GLN HB3 H 1 2.360 0.012 . 2 . . . . . . . . . 5327 2 731 . 2 2 69 69 GLN CG C 13 34.156 0.06 . 1 . . . . . . . . . 5327 2 732 . 2 2 69 69 GLN HG2 H 1 2.424 0.012 . 2 . . . . . . . . . 5327 2 733 . 2 2 69 69 GLN HG3 H 1 2.367 0.012 . 2 . . . . . . . . . 5327 2 734 . 2 2 69 69 GLN NE2 N 15 109.366 0.13 . 1 . . . . . . . . . 5327 2 735 . 2 2 69 69 GLN HE21 H 1 7.075 0.012 . 2 . . . . . . . . . 5327 2 736 . 2 2 69 69 GLN HE22 H 1 6.975 0.012 . 2 . . . . . . . . . 5327 2 737 . 2 2 70 70 ILE N N 15 121.128 0.13 . 1 . . . . . . . . . 5327 2 738 . 2 2 70 70 ILE H H 1 8.871 0.012 . 1 . . . . . . . . . 5327 2 739 . 2 2 70 70 ILE CA C 13 67.040 0.06 . 1 . . . . . . . . . 5327 2 740 . 2 2 70 70 ILE HA H 1 3.712 0.012 . 1 . . . . . . . . . 5327 2 741 . 2 2 70 70 ILE CB C 13 38.957 0.06 . 1 . . . . . . . . . 5327 2 742 . 2 2 70 70 ILE HB H 1 1.968 0.012 . 1 . . . . . . . . . 5327 2 743 . 2 2 70 70 ILE CG1 C 13 29.347 0.06 . 2 . . . . . . . . . 5327 2 744 . 2 2 70 70 ILE HG12 H 1 2.216 0.012 . 1 . . . . . . . . . 5327 2 745 . 2 2 70 70 ILE HG13 H 1 0.976 0.012 . 1 . . . . . . . . . 5327 2 746 . 2 2 70 70 ILE CD1 C 13 14.566 0.06 . 1 . . . . . . . . . 5327 2 747 . 2 2 70 70 ILE HD11 H 1 0.968 0.012 . 1 . . . . . . . . . 5327 2 748 . 2 2 70 70 ILE HD12 H 1 0.968 0.012 . 1 . . . . . . . . . 5327 2 749 . 2 2 70 70 ILE HD13 H 1 0.968 0.012 . 1 . . . . . . . . . 5327 2 750 . 2 2 70 70 ILE CG2 C 13 18.692 0.06 . 2 . . . . . . . . . 5327 2 751 . 2 2 70 70 ILE HG21 H 1 1.004 0.012 . 1 . . . . . . . . . 5327 2 752 . 2 2 70 70 ILE HG22 H 1 1.004 0.012 . 1 . . . . . . . . . 5327 2 753 . 2 2 70 70 ILE HG23 H 1 1.004 0.012 . 1 . . . . . . . . . 5327 2 754 . 2 2 71 71 ILE N N 15 119.998 0.13 . 1 . . . . . . . . . 5327 2 755 . 2 2 71 71 ILE H H 1 9.150 0.012 . 1 . . . . . . . . . 5327 2 756 . 2 2 71 71 ILE CA C 13 65.578 0.06 . 1 . . . . . . . . . 5327 2 757 . 2 2 71 71 ILE HA H 1 3.847 0.012 . 1 . . . . . . . . . 5327 2 758 . 2 2 71 71 ILE CB C 13 38.076 0.06 . 1 . . . . . . . . . 5327 2 759 . 2 2 71 71 ILE HB H 1 1.855 0.012 . 1 . . . . . . . . . 5327 2 760 . 2 2 71 71 ILE CG1 C 13 29.600 0.06 . 2 . . . . . . . . . 5327 2 761 . 2 2 71 71 ILE HG12 H 1 2.120 0.012 . 1 . . . . . . . . . 5327 2 762 . 2 2 71 71 ILE HG13 H 1 0.967 0.012 . 1 . . . . . . . . . 5327 2 763 . 2 2 71 71 ILE CD1 C 13 14.918 0.06 . 1 . . . . . . . . . 5327 2 764 . 2 2 71 71 ILE HD11 H 1 0.961 0.012 . 1 . . . . . . . . . 5327 2 765 . 2 2 71 71 ILE HD12 H 1 0.961 0.012 . 1 . . . . . . . . . 5327 2 766 . 2 2 71 71 ILE HD13 H 1 0.961 0.012 . 1 . . . . . . . . . 5327 2 767 . 2 2 71 71 ILE CG2 C 13 19.144 0.06 . 2 . . . . . . . . . 5327 2 768 . 2 2 71 71 ILE HG21 H 1 1.169 0.012 . 1 . . . . . . . . . 5327 2 769 . 2 2 71 71 ILE HG22 H 1 1.169 0.012 . 1 . . . . . . . . . 5327 2 770 . 2 2 71 71 ILE HG23 H 1 1.169 0.012 . 1 . . . . . . . . . 5327 2 771 . 2 2 72 72 SER N N 15 114.980 0.13 . 1 . . . . . . . . . 5327 2 772 . 2 2 72 72 SER H H 1 7.986 0.012 . 1 . . . . . . . . . 5327 2 773 . 2 2 72 72 SER CA C 13 63.650 0.06 . 1 . . . . . . . . . 5327 2 774 . 2 2 72 72 SER HA H 1 4.377 0.012 . 1 . . . . . . . . . 5327 2 775 . 2 2 72 72 SER CB C 13 62.678 0.06 . 1 . . . . . . . . . 5327 2 776 . 2 2 72 72 SER HB2 H 1 4.229 0.012 . 2 . . . . . . . . . 5327 2 777 . 2 2 73 73 HIS N N 15 122.022 0.13 . 1 . . . . . . . . . 5327 2 778 . 2 2 73 73 HIS H H 1 8.756 0.012 . 1 . . . . . . . . . 5327 2 779 . 2 2 73 73 HIS CA C 13 60.918 0.06 . 1 . . . . . . . . . 5327 2 780 . 2 2 73 73 HIS HA H 1 4.159 0.012 . 1 . . . . . . . . . 5327 2 781 . 2 2 73 73 HIS CB C 13 27.395 0.06 . 1 . . . . . . . . . 5327 2 782 . 2 2 73 73 HIS HB2 H 1 3.759 0.012 . 2 . . . . . . . . . 5327 2 783 . 2 2 73 73 HIS HB3 H 1 3.394 0.012 . 2 . . . . . . . . . 5327 2 784 . 2 2 73 73 HIS CD2 C 13 128.105 0.06 . 1 . . . . . . . . . 5327 2 785 . 2 2 73 73 HIS HD2 H 1 6.825 0.012 . 2 . . . . . . . . . 5327 2 786 . 2 2 74 74 TRP N N 15 121.785 0.13 . 1 . . . . . . . . . 5327 2 787 . 2 2 74 74 TRP H H 1 8.693 0.012 . 1 . . . . . . . . . 5327 2 788 . 2 2 74 74 TRP CA C 13 60.137 0.06 . 1 . . . . . . . . . 5327 2 789 . 2 2 74 74 TRP HA H 1 4.633 0.012 . 1 . . . . . . . . . 5327 2 790 . 2 2 74 74 TRP CB C 13 29.943 0.06 . 1 . . . . . . . . . 5327 2 791 . 2 2 74 74 TRP HB2 H 1 3.782 0.012 . 2 . . . . . . . . . 5327 2 792 . 2 2 74 74 TRP HB3 H 1 3.561 0.012 . 2 . . . . . . . . . 5327 2 793 . 2 2 74 74 TRP CD1 C 13 124.153 0.06 . 2 . . . . . . . . . 5327 2 794 . 2 2 74 74 TRP HD1 H 1 7.223 0.012 . 1 . . . . . . . . . 5327 2 795 . 2 2 74 74 TRP NE1 N 15 128.626 0.13 . 1 . . . . . . . . . 5327 2 796 . 2 2 74 74 TRP HE1 H 1 10.077 0.012 . 2 . . . . . . . . . 5327 2 797 . 2 2 74 74 TRP CZ2 C 13 114.354 0.06 . 2 . . . . . . . . . 5327 2 798 . 2 2 74 74 TRP HZ2 H 1 7.635 0.012 . 2 . . . . . . . . . 5327 2 799 . 2 2 75 75 LYS N N 15 116.975 0.13 . 1 . . . . . . . . . 5327 2 800 . 2 2 75 75 LYS H H 1 8.544 0.012 . 1 . . . . . . . . . 5327 2 801 . 2 2 75 75 LYS CA C 13 57.973 0.06 . 1 . . . . . . . . . 5327 2 802 . 2 2 75 75 LYS HA H 1 3.945 0.012 . 1 . . . . . . . . . 5327 2 803 . 2 2 75 75 LYS CB C 13 33.215 0.06 . 1 . . . . . . . . . 5327 2 804 . 2 2 75 75 LYS HB2 H 1 2.019 0.012 . 1 . . . . . . . . . 5327 2 805 . 2 2 75 75 LYS CG C 13 24.573 0.06 . 1 . . . . . . . . . 5327 2 806 . 2 2 75 75 LYS HG2 H 1 1.677 0.012 . 2 . . . . . . . . . 5327 2 807 . 2 2 75 75 LYS HG3 H 1 1.531 0.012 . 2 . . . . . . . . . 5327 2 808 . 2 2 75 75 LYS CD C 13 28.962 0.06 . 1 . . . . . . . . . 5327 2 809 . 2 2 75 75 LYS HD2 H 1 1.888 0.012 . 2 . . . . . . . . . 5327 2 810 . 2 2 75 75 LYS HD3 H 1 1.672 0.012 . 2 . . . . . . . . . 5327 2 811 . 2 2 75 75 LYS CE C 13 42.590 0.06 . 1 . . . . . . . . . 5327 2 812 . 2 2 75 75 LYS HE2 H 1 3.098 0.012 . 2 . . . . . . . . . 5327 2 813 . 2 2 76 76 ASN N N 15 113.120 0.13 . 1 . . . . . . . . . 5327 2 814 . 2 2 76 76 ASN H H 1 7.084 0.012 . 1 . . . . . . . . . 5327 2 815 . 2 2 76 76 ASN CA C 13 53.868 0.06 . 1 . . . . . . . . . 5327 2 816 . 2 2 76 76 ASN HA H 1 4.740 0.012 . 1 . . . . . . . . . 5327 2 817 . 2 2 76 76 ASN CB C 13 41.835 0.06 . 1 . . . . . . . . . 5327 2 818 . 2 2 76 76 ASN HB2 H 1 2.730 0.012 . 2 . . . . . . . . . 5327 2 819 . 2 2 76 76 ASN HB3 H 1 2.976 0.012 . 2 . . . . . . . . . 5327 2 820 . 2 2 76 76 ASN ND2 N 15 114.713 0.13 . 1 . . . . . . . . . 5327 2 821 . 2 2 76 76 ASN HD21 H 1 7.722 0.012 . 2 . . . . . . . . . 5327 2 822 . 2 2 76 76 ASN HD22 H 1 7.530 0.012 . 2 . . . . . . . . . 5327 2 823 . 2 2 77 77 CYS N N 15 123.165 0.13 . 1 . . . . . . . . . 5327 2 824 . 2 2 77 77 CYS H H 1 7.513 0.012 . 1 . . . . . . . . . 5327 2 825 . 2 2 77 77 CYS CA C 13 61.266 0.06 . 1 . . . . . . . . . 5327 2 826 . 2 2 77 77 CYS HA H 1 4.164 0.012 . 1 . . . . . . . . . 5327 2 827 . 2 2 77 77 CYS CB C 13 28.711 0.06 . 1 . . . . . . . . . 5327 2 828 . 2 2 77 77 CYS HB2 H 1 2.094 0.012 . 2 . . . . . . . . . 5327 2 829 . 2 2 77 77 CYS HB3 H 1 2.985 0.012 . 2 . . . . . . . . . 5327 2 830 . 2 2 78 78 THR N N 15 119.217 0.13 . 1 . . . . . . . . . 5327 2 831 . 2 2 78 78 THR H H 1 8.641 0.012 . 1 . . . . . . . . . 5327 2 832 . 2 2 78 78 THR CA C 13 60.752 0.06 . 1 . . . . . . . . . 5327 2 833 . 2 2 78 78 THR HA H 1 4.704 0.012 . 1 . . . . . . . . . 5327 2 834 . 2 2 78 78 THR CB C 13 69.507 0.06 . 1 . . . . . . . . . 5327 2 835 . 2 2 78 78 THR HB H 1 4.718 0.012 . 1 . . . . . . . . . 5327 2 836 . 2 2 78 78 THR CG2 C 13 21.378 0.06 . 1 . . . . . . . . . 5327 2 837 . 2 2 78 78 THR HG21 H 1 1.257 0.012 . 1 . . . . . . . . . 5327 2 838 . 2 2 78 78 THR HG22 H 1 1.257 0.012 . 1 . . . . . . . . . 5327 2 839 . 2 2 78 78 THR HG23 H 1 1.257 0.012 . 1 . . . . . . . . . 5327 2 840 . 2 2 79 79 ARG CA C 13 56.182 0.06 . 1 . . . . . . . . . 5327 2 841 . 2 2 79 79 ARG HA H 1 4.583 0.012 . 1 . . . . . . . . . 5327 2 842 . 2 2 79 79 ARG CB C 13 31.493 0.06 . 1 . . . . . . . . . 5327 2 843 . 2 2 79 79 ARG HB2 H 1 2.127 0.012 . 2 . . . . . . . . . 5327 2 844 . 2 2 79 79 ARG HB3 H 1 2.036 0.012 . 2 . . . . . . . . . 5327 2 845 . 2 2 79 79 ARG CG C 13 27.137 0.06 . 1 . . . . . . . . . 5327 2 846 . 2 2 79 79 ARG HG2 H 1 2.036 0.012 . 2 . . . . . . . . . 5327 2 847 . 2 2 79 79 ARG HG3 H 1 1.824 0.012 . 2 . . . . . . . . . 5327 2 848 . 2 2 79 79 ARG CD C 13 44.144 0.06 . 1 . . . . . . . . . 5327 2 849 . 2 2 79 79 ARG HD2 H 1 3.506 0.012 . 2 . . . . . . . . . 5327 2 850 . 2 2 79 79 ARG HD3 H 1 3.287 0.012 . 2 . . . . . . . . . 5327 2 851 . 2 2 80 80 HIS CA C 13 58.494 0.06 . 1 . . . . . . . . . 5327 2 852 . 2 2 80 80 HIS HA H 1 4.550 0.012 . 1 . . . . . . . . . 5327 2 853 . 2 2 80 80 HIS CB C 13 29.517 0.06 . 1 . . . . . . . . . 5327 2 854 . 2 2 80 80 HIS HB2 H 1 3.371 0.012 . 1 . . . . . . . . . 5327 2 855 . 2 2 80 80 HIS CD2 C 13 119.293 0.06 . 1 . . . . . . . . . 5327 2 856 . 2 2 80 80 HIS HD2 H 1 7.321 0.012 . 2 . . . . . . . . . 5327 2 857 . 2 2 81 81 ASP N N 15 117.052 0.13 . 1 . . . . . . . . . 5327 2 858 . 2 2 81 81 ASP H H 1 8.244 0.012 . 1 . . . . . . . . . 5327 2 859 . 2 2 81 81 ASP CA C 13 52.041 0.06 . 1 . . . . . . . . . 5327 2 860 . 2 2 81 81 ASP HA H 1 4.668 0.012 . 1 . . . . . . . . . 5327 2 861 . 2 2 81 81 ASP CB C 13 39.721 0.06 . 1 . . . . . . . . . 5327 2 862 . 2 2 81 81 ASP HB2 H 1 2.991 0.012 . 2 . . . . . . . . . 5327 2 863 . 2 2 81 81 ASP HB3 H 1 2.413 0.012 . 2 . . . . . . . . . 5327 2 864 . 2 2 82 82 CYS N N 15 122.739 0.13 . 1 . . . . . . . . . 5327 2 865 . 2 2 82 82 CYS H H 1 7.213 0.012 . 1 . . . . . . . . . 5327 2 866 . 2 2 82 82 CYS CA C 13 57.752 0.06 . 1 . . . . . . . . . 5327 2 867 . 2 2 82 82 CYS HA H 1 4.454 0.012 . 1 . . . . . . . . . 5327 2 868 . 2 2 82 82 CYS CB C 13 31.141 0.06 . 1 . . . . . . . . . 5327 2 869 . 2 2 82 82 CYS HB2 H 1 3.144 0.012 . 1 . . . . . . . . . 5327 2 870 . 2 2 83 83 PRO CA C 13 64.361 0.06 . 1 . . . . . . . . . 5327 2 871 . 2 2 83 83 PRO HA H 1 4.622 0.012 . 1 . . . . . . . . . 5327 2 872 . 2 2 83 83 PRO CB C 13 32.601 0.06 . 1 . . . . . . . . . 5327 2 873 . 2 2 83 83 PRO HB2 H 1 2.530 0.012 . 2 . . . . . . . . . 5327 2 874 . 2 2 83 83 PRO HB3 H 1 2.024 0.012 . 2 . . . . . . . . . 5327 2 875 . 2 2 83 83 PRO CG C 13 27.510 0.06 . 1 . . . . . . . . . 5327 2 876 . 2 2 83 83 PRO HG2 H 1 2.285 0.012 . 2 . . . . . . . . . 5327 2 877 . 2 2 83 83 PRO HG3 H 1 2.144 0.012 . 2 . . . . . . . . . 5327 2 878 . 2 2 83 83 PRO CD C 13 51.237 0.06 . 1 . . . . . . . . . 5327 2 879 . 2 2 83 83 PRO HD2 H 1 4.225 0.012 . 2 . . . . . . . . . 5327 2 880 . 2 2 83 83 PRO HD3 H 1 4.189 0.012 . 2 . . . . . . . . . 5327 2 881 . 2 2 84 84 VAL N N 15 120.678 0.13 . 1 . . . . . . . . . 5327 2 882 . 2 2 84 84 VAL H H 1 8.712 0.012 . 1 . . . . . . . . . 5327 2 883 . 2 2 84 84 VAL CA C 13 66.448 0.06 . 1 . . . . . . . . . 5327 2 884 . 2 2 84 84 VAL HA H 1 3.909 0.012 . 1 . . . . . . . . . 5327 2 885 . 2 2 84 84 VAL CB C 13 33.215 0.06 . 1 . . . . . . . . . 5327 2 886 . 2 2 84 84 VAL HB H 1 2.398 0.012 . 1 . . . . . . . . . 5327 2 887 . 2 2 84 84 VAL CG1 C 13 21.931 0.06 . 2 . . . . . . . . . 5327 2 888 . 2 2 84 84 VAL HG11 H 1 1.029 0.012 . 1 . . . . . . . . . 5327 2 889 . 2 2 84 84 VAL HG12 H 1 1.029 0.012 . 1 . . . . . . . . . 5327 2 890 . 2 2 84 84 VAL HG13 H 1 1.029 0.012 . 1 . . . . . . . . . 5327 2 891 . 2 2 85 85 CYS N N 15 118.514 0.13 . 1 . . . . . . . . . 5327 2 892 . 2 2 85 85 CYS H H 1 8.581 0.012 . 1 . . . . . . . . . 5327 2 893 . 2 2 85 85 CYS CA C 13 63.425 0.06 . 1 . . . . . . . . . 5327 2 894 . 2 2 85 85 CYS HA H 1 4.408 0.012 . 1 . . . . . . . . . 5327 2 895 . 2 2 85 85 CYS CB C 13 31.467 0.06 . 1 . . . . . . . . . 5327 2 896 . 2 2 85 85 CYS HB2 H 1 3.121 0.012 . 2 . . . . . . . . . 5327 2 897 . 2 2 85 85 CYS HB3 H 1 3.349 0.012 . 2 . . . . . . . . . 5327 2 898 . 2 2 86 86 LEU N N 15 119.400 0.13 . 1 . . . . . . . . . 5327 2 899 . 2 2 86 86 LEU H H 1 8.042 0.012 . 1 . . . . . . . . . 5327 2 900 . 2 2 86 86 LEU CA C 13 60.167 0.06 . 1 . . . . . . . . . 5327 2 901 . 2 2 86 86 LEU HA H 1 4.386 0.012 . 1 . . . . . . . . . 5327 2 902 . 2 2 86 86 LEU CB C 13 39.678 0.06 . 1 . . . . . . . . . 5327 2 903 . 2 2 86 86 LEU HB2 H 1 2.007 0.012 . 2 . . . . . . . . . 5327 2 904 . 2 2 86 86 LEU HB3 H 1 1.906 0.012 . 2 . . . . . . . . . 5327 2 905 . 2 2 86 86 LEU CG C 13 27.647 0.06 . 1 . . . . . . . . . 5327 2 906 . 2 2 86 86 LEU HG H 1 1.775 0.012 . 1 . . . . . . . . . 5327 2 907 . 2 2 86 86 LEU CD1 C 13 25.234 0.06 . 2 . . . . . . . . . 5327 2 908 . 2 2 86 86 LEU HD11 H 1 1.043 0.012 . 1 . . . . . . . . . 5327 2 909 . 2 2 86 86 LEU HD12 H 1 1.043 0.012 . 1 . . . . . . . . . 5327 2 910 . 2 2 86 86 LEU HD13 H 1 1.043 0.012 . 1 . . . . . . . . . 5327 2 911 . 2 2 86 86 LEU CD2 C 13 24.293 0.06 . 2 . . . . . . . . . 5327 2 912 . 2 2 86 86 LEU HD21 H 1 1.067 0.012 . 1 . . . . . . . . . 5327 2 913 . 2 2 86 86 LEU HD22 H 1 1.067 0.012 . 1 . . . . . . . . . 5327 2 914 . 2 2 86 86 LEU HD23 H 1 1.067 0.012 . 1 . . . . . . . . . 5327 2 915 . 2 2 87 87 PRO CA C 13 65.333 0.06 . 1 . . . . . . . . . 5327 2 916 . 2 2 87 87 PRO HA H 1 4.615 0.012 . 1 . . . . . . . . . 5327 2 917 . 2 2 87 87 PRO CB C 13 31.442 0.06 . 1 . . . . . . . . . 5327 2 918 . 2 2 87 87 PRO HB2 H 1 2.536 0.012 . 2 . . . . . . . . . 5327 2 919 . 2 2 87 87 PRO HB3 H 1 1.832 0.012 . 2 . . . . . . . . . 5327 2 920 . 2 2 87 87 PRO CG C 13 28.477 0.06 . 1 . . . . . . . . . 5327 2 921 . 2 2 87 87 PRO HG2 H 1 2.120 0.012 . 2 . . . . . . . . . 5327 2 922 . 2 2 87 87 PRO HG3 H 1 2.064 0.012 . 2 . . . . . . . . . 5327 2 923 . 2 2 87 87 PRO CD C 13 50.229 0.06 . 1 . . . . . . . . . 5327 2 924 . 2 2 87 87 PRO HD2 H 1 3.812 0.012 . 2 . . . . . . . . . 5327 2 925 . 2 2 87 87 PRO HD3 H 1 3.622 0.012 . 2 . . . . . . . . . 5327 2 926 . 2 2 88 88 LEU N N 15 116.633 0.13 . 1 . . . . . . . . . 5327 2 927 . 2 2 88 88 LEU H H 1 7.772 0.012 . 1 . . . . . . . . . 5327 2 928 . 2 2 88 88 LEU CA C 13 55.999 0.06 . 1 . . . . . . . . . 5327 2 929 . 2 2 88 88 LEU HA H 1 4.508 0.012 . 1 . . . . . . . . . 5327 2 930 . 2 2 88 88 LEU CB C 13 42.420 0.06 . 1 . . . . . . . . . 5327 2 931 . 2 2 88 88 LEU HB2 H 1 2.266 0.012 . 2 . . . . . . . . . 5327 2 932 . 2 2 88 88 LEU HB3 H 1 1.941 0.012 . 2 . . . . . . . . . 5327 2 933 . 2 2 88 88 LEU CG C 13 28.378 0.06 . 1 . . . . . . . . . 5327 2 934 . 2 2 88 88 LEU HG H 1 1.833 0.012 . 1 . . . . . . . . . 5327 2 935 . 2 2 88 88 LEU CD1 C 13 25.737 0.06 . 2 . . . . . . . . . 5327 2 936 . 2 2 88 88 LEU HD11 H 1 0.998 0.012 . 1 . . . . . . . . . 5327 2 937 . 2 2 88 88 LEU HD12 H 1 0.998 0.012 . 1 . . . . . . . . . 5327 2 938 . 2 2 88 88 LEU HD13 H 1 0.998 0.012 . 1 . . . . . . . . . 5327 2 939 . 2 2 88 88 LEU CD2 C 13 24.080 0.06 . 2 . . . . . . . . . 5327 2 940 . 2 2 88 88 LEU HD21 H 1 0.893 0.012 . 1 . . . . . . . . . 5327 2 941 . 2 2 88 88 LEU HD22 H 1 0.893 0.012 . 1 . . . . . . . . . 5327 2 942 . 2 2 88 88 LEU HD23 H 1 0.893 0.012 . 1 . . . . . . . . . 5327 2 943 . 2 2 89 89 LYS N N 15 120.150 0.13 . 1 . . . . . . . . . 5327 2 944 . 2 2 89 89 LYS H H 1 8.098 0.012 . 1 . . . . . . . . . 5327 2 945 . 2 2 89 89 LYS CA C 13 57.411 0.06 . 1 . . . . . . . . . 5327 2 946 . 2 2 89 89 LYS HA H 1 4.565 0.012 . 1 . . . . . . . . . 5327 2 947 . 2 2 89 89 LYS CB C 13 33.335 0.06 . 1 . . . . . . . . . 5327 2 948 . 2 2 89 89 LYS HB2 H 1 2.057 0.012 . 1 . . . . . . . . . 5327 2 949 . 2 2 89 89 LYS CG C 13 25.707 0.06 . 1 . . . . . . . . . 5327 2 950 . 2 2 89 89 LYS HG2 H 1 1.784 0.012 . 2 . . . . . . . . . 5327 2 951 . 2 2 89 89 LYS HG3 H 1 1.622 0.012 . 2 . . . . . . . . . 5327 2 952 . 2 2 89 89 LYS CD C 13 29.314 0.06 . 1 . . . . . . . . . 5327 2 953 . 2 2 89 89 LYS HD2 H 1 1.749 0.012 . 1 . . . . . . . . . 5327 2 954 . 2 2 89 89 LYS CE C 13 42.584 0.06 . 1 . . . . . . . . . 5327 2 955 . 2 2 89 89 LYS HE2 H 1 2.943 0.012 . 2 . . . . . . . . . 5327 2 956 . 2 2 89 89 LYS HE3 H 1 2.803 0.012 . 2 . . . . . . . . . 5327 2 957 . 2 2 90 90 ASN N N 15 118.669 0.13 . 1 . . . . . . . . . 5327 2 958 . 2 2 90 90 ASN H H 1 8.539 0.012 . 1 . . . . . . . . . 5327 2 959 . 2 2 90 90 ASN CA C 13 53.638 0.06 . 1 . . . . . . . . . 5327 2 960 . 2 2 90 90 ASN HA H 1 4.890 0.012 . 1 . . . . . . . . . 5327 2 961 . 2 2 90 90 ASN CB C 13 39.093 0.06 . 1 . . . . . . . . . 5327 2 962 . 2 2 90 90 ASN HB2 H 1 3.046 0.012 . 2 . . . . . . . . . 5327 2 963 . 2 2 90 90 ASN HB3 H 1 2.945 0.012 . 2 . . . . . . . . . 5327 2 964 . 2 2 90 90 ASN ND2 N 15 112.658 0.13 . 1 . . . . . . . . . 5327 2 965 . 2 2 90 90 ASN HD21 H 1 7.787 0.012 . 2 . . . . . . . . . 5327 2 966 . 2 2 90 90 ASN HD22 H 1 7.083 0.012 . 2 . . . . . . . . . 5327 2 967 . 2 2 91 91 ALA N N 15 124.263 0.13 . 1 . . . . . . . . . 5327 2 968 . 2 2 91 91 ALA H H 1 8.306 0.012 . 1 . . . . . . . . . 5327 2 969 . 2 2 91 91 ALA CA C 13 53.193 0.06 . 1 . . . . . . . . . 5327 2 970 . 2 2 91 91 ALA HA H 1 4.532 0.012 . 1 . . . . . . . . . 5327 2 971 . 2 2 91 91 ALA CB C 13 19.400 0.06 . 1 . . . . . . . . . 5327 2 972 . 2 2 91 91 ALA HB1 H 1 1.626 0.012 . 1 . . . . . . . . . 5327 2 973 . 2 2 91 91 ALA HB2 H 1 1.626 0.012 . 1 . . . . . . . . . 5327 2 974 . 2 2 91 91 ALA HB3 H 1 1.626 0.012 . 1 . . . . . . . . . 5327 2 975 . 2 2 92 92 SER N N 15 114.581 0.13 . 1 . . . . . . . . . 5327 2 976 . 2 2 92 92 SER H H 1 8.409 0.012 . 1 . . . . . . . . . 5327 2 977 . 2 2 92 92 SER CA C 13 58.942 0.06 . 1 . . . . . . . . . 5327 2 978 . 2 2 92 92 SER HA H 1 4.606 0.012 . 1 . . . . . . . . . 5327 2 979 . 2 2 92 92 SER CB C 13 64.062 0.06 . 1 . . . . . . . . . 5327 2 980 . 2 2 92 92 SER HB2 H 1 4.118 0.012 . 2 . . . . . . . . . 5327 2 981 . 2 2 92 92 SER HB3 H 1 4.064 0.012 . 2 . . . . . . . . . 5327 2 982 . 2 2 93 93 ASP N N 15 122.193 0.13 . 1 . . . . . . . . . 5327 2 983 . 2 2 93 93 ASP H H 1 8.451 0.012 . 1 . . . . . . . . . 5327 2 984 . 2 2 93 93 ASP CA C 13 54.530 0.06 . 1 . . . . . . . . . 5327 2 985 . 2 2 93 93 ASP HA H 1 4.791 0.012 . 1 . . . . . . . . . 5327 2 986 . 2 2 93 93 ASP CB C 13 41.229 0.06 . 1 . . . . . . . . . 5327 2 987 . 2 2 93 93 ASP HB2 H 1 2.883 0.012 . 1 . . . . . . . . . 5327 2 988 . 2 2 94 94 LYS N N 15 121.811 0.13 . 1 . . . . . . . . . 5327 2 989 . 2 2 94 94 LYS H H 1 8.265 0.012 . 1 . . . . . . . . . 5327 2 990 . 2 2 94 94 LYS CA C 13 56.385 0.06 . 1 . . . . . . . . . 5327 2 991 . 2 2 94 94 LYS HA H 1 4.510 0.012 . 1 . . . . . . . . . 5327 2 992 . 2 2 94 94 LYS CB C 13 32.949 0.06 . 1 . . . . . . . . . 5327 2 993 . 2 2 94 94 LYS HB2 H 1 1.922 0.012 . 2 . . . . . . . . . 5327 2 994 . 2 2 94 94 LYS HB3 H 1 2.050 0.012 . 2 . . . . . . . . . 5327 2 995 . 2 2 94 94 LYS CG C 13 24.781 0.06 . 1 . . . . . . . . . 5327 2 996 . 2 2 94 94 LYS HG2 H 1 1.625 0.012 . 2 . . . . . . . . . 5327 2 997 . 2 2 94 94 LYS HG3 H 1 1.586 0.012 . 2 . . . . . . . . . 5327 2 998 . 2 2 94 94 LYS CD C 13 29.136 0.06 . 1 . . . . . . . . . 5327 2 999 . 2 2 94 94 LYS HD2 H 1 1.843 0.012 . 1 . . . . . . . . . 5327 2 1000 . 2 2 94 94 LYS CE C 13 42.392 0.06 . 1 . . . . . . . . . 5327 2 1001 . 2 2 94 94 LYS HE2 H 1 3.178 0.012 . 1 . . . . . . . . . 5327 2 1002 . 2 2 95 95 ARG N N 15 128.032 0.13 . 1 . . . . . . . . . 5327 2 1003 . 2 2 95 95 ARG H H 1 8.129 0.012 . 1 . . . . . . . . . 5327 2 1004 . 2 2 95 95 ARG CA C 13 57.635 0.06 . 1 . . . . . . . . . 5327 2 1005 . 2 2 95 95 ARG HA H 1 4.339 0.012 . 1 . . . . . . . . . 5327 2 1006 . 2 2 95 95 ARG CB C 13 31.710 0.06 . 1 . . . . . . . . . 5327 2 1007 . 2 2 95 95 ARG HB2 H 1 1.895 0.012 . 2 . . . . . . . . . 5327 2 1008 . 2 2 95 95 ARG HB3 H 1 2.023 0.012 . 2 . . . . . . . . . 5327 2 1009 . 2 2 95 95 ARG CG C 13 27.376 0.06 . 1 . . . . . . . . . 5327 2 1010 . 2 2 95 95 ARG HG2 H 1 1.769 0.012 . 1 . . . . . . . . . 5327 2 1011 . 2 2 95 95 ARG CD C 13 43.629 0.06 . 1 . . . . . . . . . 5327 2 1012 . 2 2 95 95 ARG HD2 H 1 3.388 0.012 . 1 . . . . . . . . . 5327 2 stop_ save_