data_17772 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17772 _Entry.Title ; Solution structure of the RING finger-like domain of Retinoblastoma Binding Protein-6 (RBBP6) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-08 _Entry.Accession_date 2011-07-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Kappo . A. . 17772 2 E. Ab . . . 17772 3 R. Atkinson . A. . 17772 4 A. Faro . . . 17772 5 V. Muleya . . . 17772 6 T. Mulaudzi . . . 17772 7 J. Poole . O. . 17772 8 J. Mckenzie . M. . 17772 9 DAVID PUGH . JOHN.RHYDWYN. . 17772 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17772 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . 1 PUGHGroup . 17772 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'E3 ligase' . 17772 LIGASE . 17772 'mRNA processing' . 17772 'mRNA splicing' . 17772 PACT . 17772 RBBP6 . 17772 'Retinoblastoma Binding Protein-6' . 17772 'RING finger' . 17772 U-Box . 17772 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17772 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 300 17772 '15N chemical shifts' 96 17772 '1H chemical shifts' 631 17772 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-04-06 2011-07-08 update BMRB 'update entry citation' 17772 1 . . 2011-12-06 2011-07-08 original author 'original release' 17772 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3ZTG 'BMRB Entry Tracking System' 17772 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17772 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22130672 _Citation.Full_citation . _Citation.Title 'Solution Structure of RING Finger-like Domain of Retinoblastoma-binding Protein-6 (RBBP6) Suggests It Functions as a U-box.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 10 _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 7146 _Citation.Page_last 7158 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mautin Kappo . A. . 17772 1 2 Eiso Ab . . . 17772 1 3 Faqeer Hassem . . . 17772 1 4 'R. Andrew' Atkinson . . . 17772 1 5 Andrew Faro . . . 17772 1 6 Victor Muleya . . . 17772 1 7 Takalani Mulaudzi . . . 17772 1 8 John Poole . O. . 17772 1 9 Jean McKenzie . M. . 17772 1 10 Moredreck Chibi . . . 17772 1 11 Joanna Moolman-Smook . C. . 17772 1 12 'D. Jasper G' Rees . . . 17772 1 13 David Pugh . J.R. . 17772 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17772 _Assembly.ID 1 _Assembly.Name 'Solution structure of the RING finger-like domain of Retinoblastoma Binding Protein-6 (RBBP6)' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 20690.4234 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'E3 UBIQUITIN-PROTEIN LIGASE RBBP6 1' 1 $E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 A . yes native no no . . . 17772 1 2 'E3 UBIQUITIN-PROTEIN LIGASE RBBP6 2' 1 $E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 B . yes native no no . . . 17772 1 3 'Zinc ion, 1' 2 $ZN C . no native no no . . . 17772 1 4 'Zinc ion, 2' 2 $ZN D . no native no no . . . 17772 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 _Entity.Sf_category entity _Entity.Sf_framecode E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 _Entity.Entry_ID 17772 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSEDDPIPDELLCLICK DIMTDAVVIPCCGNSYCDEC IRTALLESDEHTCPTCHQND VSPDALIANKFLRQAVNNFK NETGYTKRLRKQ ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'RING finger-like domain' _Entity.Mutation . _Entity.EC_number 6.3.2.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10214.4517 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP RBBP6_HUMAN . Q7Z6E9 . . . . . . . . . . . . . . 17772 1 2 no BMRB 11159 . "UNP residues 249-309, C3HC4 domain" . . . . . 66.30 74 100.00 100.00 3.44e-35 . . . . 17772 1 3 no BMRB 17466 . E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 . . . . . 100.00 92 100.00 100.00 4.50e-60 . . . . 17772 1 4 no PDB 2YUR . "Solution Structure Of The Ring Finger Of Human Retinoblastoma-Binding Protein 6" . . . . . 66.30 74 100.00 100.00 3.44e-35 . . . . 17772 1 5 no PDB 3ZTG . "Solution Structure Of The Ring Finger-Like Domain Of Retinoblastoma Binding Protein-6 (Rbbp6)" . . . . . 98.91 92 100.00 100.00 3.94e-59 . . . . 17772 1 6 no DBJ BAC77636 . "retinoblastoma binding protein 6 isoform 1 [Homo sapiens]" . . . . . 94.57 1792 100.00 100.00 5.95e-52 . . . . 17772 1 7 no DBJ BAC77637 . "retinoblastoma binding protein 6 isoform 2 [Homo sapiens]" . . . . . 94.57 1758 100.00 100.00 8.53e-52 . . . . 17772 1 8 no DBJ BAG64162 . "unnamed protein product [Homo sapiens]" . . . . . 94.57 1008 100.00 100.00 1.49e-52 . . . . 17772 1 9 no EMBL CAA59445 . "RB protein binding protein [Homo sapiens]" . . . . . 94.57 948 100.00 100.00 2.02e-53 . . . . 17772 1 10 no GB AAB49620 . "PACT [Mus musculus]" . . . . . 94.57 1587 98.85 98.85 1.65e-51 . . . . 17772 1 11 no GB AAC72432 . "proliferation potential-related protein [Mus musculus]" . . . . . 94.57 1560 97.70 98.85 2.00e-50 . . . . 17772 1 12 no GB AAH63524 . "RBBP6 protein, partial [Homo sapiens]" . . . . . 94.57 919 100.00 100.00 2.24e-54 . . . . 17772 1 13 no GB AAI72357 . "Retinoblastoma binding protein 6 [synthetic construct]" . . . . . 94.57 1792 100.00 100.00 5.95e-52 . . . . 17772 1 14 no GB AAL05625 . "proliferation potential-related protein [Homo sapiens]" . . . . . 94.57 1616 100.00 100.00 3.28e-52 . . . . 17772 1 15 no REF NP_001291483 . "retinoblastoma binding protein 6 [Bos taurus]" . . . . . 94.57 1797 100.00 100.00 5.06e-52 . . . . 17772 1 16 no REF NP_008841 . "E3 ubiquitin-protein ligase RBBP6 isoform 1 [Homo sapiens]" . . . . . 94.57 1792 100.00 100.00 5.95e-52 . . . . 17772 1 17 no REF NP_035377 . "E3 ubiquitin-protein ligase RBBP6 isoform 1 [Mus musculus]" . . . . . 94.57 1790 100.00 100.00 5.04e-52 . . . . 17772 1 18 no REF NP_061173 . "E3 ubiquitin-protein ligase RBBP6 isoform 2 [Homo sapiens]" . . . . . 94.57 1758 100.00 100.00 8.53e-52 . . . . 17772 1 19 no REF XP_001076339 . "PREDICTED: E3 ubiquitin-protein ligase RBBP6 isoform X1 [Rattus norvegicus]" . . . . . 94.57 1789 100.00 100.00 5.29e-52 . . . . 17772 1 20 no SP P97868 . "RecName: Full=E3 ubiquitin-protein ligase RBBP6; AltName: Full=Proliferation potential-related protein; AltName: Full=Protein P" . . . . . 94.57 1790 100.00 100.00 5.04e-52 . . . . 17772 1 21 no SP Q7Z6E9 . "RecName: Full=E3 ubiquitin-protein ligase RBBP6; AltName: Full=Proliferation potential-related protein; AltName: Full=Protein P" . . . . . 94.57 1792 100.00 100.00 5.95e-52 . . . . 17772 1 22 no TPG DAA15466 . "TPA: retinoblastoma binding protein 6 [Bos taurus]" . . . . . 94.57 957 100.00 100.00 1.99e-54 . . . . 17772 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 6.3.2.- EC 17772 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 . GLY . 17772 1 2 . PRO . 17772 1 3 . LEU . 17772 1 4 . GLY . 17772 1 5 . SER . 17772 1 6 . GLU . 17772 1 7 . ASP . 17772 1 8 . ASP . 17772 1 9 . PRO . 17772 1 10 . ILE . 17772 1 11 . PRO . 17772 1 12 . ASP . 17772 1 13 . GLU . 17772 1 14 . LEU . 17772 1 15 . LEU . 17772 1 16 . CYS . 17772 1 17 . LEU . 17772 1 18 . ILE . 17772 1 19 . CYS . 17772 1 20 . LYS . 17772 1 21 . ASP . 17772 1 22 . ILE . 17772 1 23 . MET . 17772 1 24 . THR . 17772 1 25 . ASP . 17772 1 26 . ALA . 17772 1 27 . VAL . 17772 1 28 . VAL . 17772 1 29 . ILE . 17772 1 30 . PRO . 17772 1 31 . CYS . 17772 1 32 . CYS . 17772 1 33 . GLY . 17772 1 34 . ASN . 17772 1 35 . SER . 17772 1 36 . TYR . 17772 1 37 . CYS . 17772 1 38 . ASP . 17772 1 39 . GLU . 17772 1 40 . CYS . 17772 1 41 . ILE . 17772 1 42 . ARG . 17772 1 43 . THR . 17772 1 44 . ALA . 17772 1 45 . LEU . 17772 1 46 . LEU . 17772 1 47 . GLU . 17772 1 48 . SER . 17772 1 49 . ASP . 17772 1 50 . GLU . 17772 1 51 . HIS . 17772 1 52 . THR . 17772 1 53 . CYS . 17772 1 54 . PRO . 17772 1 55 . THR . 17772 1 56 . CYS . 17772 1 57 . HIS . 17772 1 58 . GLN . 17772 1 59 . ASN . 17772 1 60 . ASP . 17772 1 61 . VAL . 17772 1 62 . SER . 17772 1 63 . PRO . 17772 1 64 . ASP . 17772 1 65 . ALA . 17772 1 66 . LEU . 17772 1 67 . ILE . 17772 1 68 . ALA . 17772 1 69 . ASN . 17772 1 70 . LYS . 17772 1 71 . PHE . 17772 1 72 . LEU . 17772 1 73 . ARG . 17772 1 74 . GLN . 17772 1 75 . ALA . 17772 1 76 . VAL . 17772 1 77 . ASN . 17772 1 78 . ASN . 17772 1 79 . PHE . 17772 1 80 . LYS . 17772 1 81 . ASN . 17772 1 82 . GLU . 17772 1 83 . THR . 17772 1 84 . GLY . 17772 1 85 . TYR . 17772 1 86 . THR . 17772 1 87 . LYS . 17772 1 88 . ARG . 17772 1 89 . LEU . 17772 1 90 . ARG . 17772 1 91 . LYS . 17772 1 92 . GLN . 17772 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 . GLY 1 1 17772 1 . PRO 2 2 17772 1 . LEU 3 3 17772 1 . GLY 4 4 17772 1 . SER 5 5 17772 1 . GLU 6 6 17772 1 . ASP 7 7 17772 1 . ASP 8 8 17772 1 . PRO 9 9 17772 1 . ILE 10 10 17772 1 . PRO 11 11 17772 1 . ASP 12 12 17772 1 . GLU 13 13 17772 1 . LEU 14 14 17772 1 . LEU 15 15 17772 1 . CYS 16 16 17772 1 . LEU 17 17 17772 1 . ILE 18 18 17772 1 . CYS 19 19 17772 1 . LYS 20 20 17772 1 . ASP 21 21 17772 1 . ILE 22 22 17772 1 . MET 23 23 17772 1 . THR 24 24 17772 1 . ASP 25 25 17772 1 . ALA 26 26 17772 1 . VAL 27 27 17772 1 . VAL 28 28 17772 1 . ILE 29 29 17772 1 . PRO 30 30 17772 1 . CYS 31 31 17772 1 . CYS 32 32 17772 1 . GLY 33 33 17772 1 . ASN 34 34 17772 1 . SER 35 35 17772 1 . TYR 36 36 17772 1 . CYS 37 37 17772 1 . ASP 38 38 17772 1 . GLU 39 39 17772 1 . CYS 40 40 17772 1 . ILE 41 41 17772 1 . ARG 42 42 17772 1 . THR 43 43 17772 1 . ALA 44 44 17772 1 . LEU 45 45 17772 1 . LEU 46 46 17772 1 . GLU 47 47 17772 1 . SER 48 48 17772 1 . ASP 49 49 17772 1 . GLU 50 50 17772 1 . HIS 51 51 17772 1 . THR 52 52 17772 1 . CYS 53 53 17772 1 . PRO 54 54 17772 1 . THR 55 55 17772 1 . CYS 56 56 17772 1 . HIS 57 57 17772 1 . GLN 58 58 17772 1 . ASN 59 59 17772 1 . ASP 60 60 17772 1 . VAL 61 61 17772 1 . SER 62 62 17772 1 . PRO 63 63 17772 1 . ASP 64 64 17772 1 . ALA 65 65 17772 1 . LEU 66 66 17772 1 . ILE 67 67 17772 1 . ALA 68 68 17772 1 . ASN 69 69 17772 1 . LYS 70 70 17772 1 . PHE 71 71 17772 1 . LEU 72 72 17772 1 . ARG 73 73 17772 1 . GLN 74 74 17772 1 . ALA 75 75 17772 1 . VAL 76 76 17772 1 . ASN 77 77 17772 1 . ASN 78 78 17772 1 . PHE 79 79 17772 1 . LYS 80 80 17772 1 . ASN 81 81 17772 1 . GLU 82 82 17772 1 . THR 83 83 17772 1 . GLY 84 84 17772 1 . TYR 85 85 17772 1 . THR 86 86 17772 1 . LYS 87 87 17772 1 . ARG 88 88 17772 1 . LEU 89 89 17772 1 . ARG 90 90 17772 1 . LYS 91 91 17772 1 . GLN 92 92 17772 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17772 _Entity.ID 2 _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 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 . _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 . 17772 2 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 17772 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17772 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 17772 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 . . . . . . . . . . . . n/a . . pGEX-6P-2 . . . . . . 17772 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 17772 _Chem_comp.ID ZN _Chem_comp.Provenance . _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.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 Jul 8 11:13:18 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 17772 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 17772 ZN [Zn++] SMILES CACTVS 3.341 17772 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17772 ZN [Zn+2] SMILES ACDLabs 10.04 17772 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17772 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17772 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 17772 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17772 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 . 17772 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17772 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O, 5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'E3 UBIQUITIN-PROTEIN LIGASE RBBP6' '[U-13C; U-15N]' . . 1 $E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 . . 0.7 . . mM . . . . 17772 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17772 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.0], temp [298], pressure [1], ionStrength [150.0]' 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' 150.000 . mM 17772 1 pH 6.000 . pH 17772 1 pressure 1.000 . atm 17772 1 temperature 298.000 . K 17772 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 17772 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 17772 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17772 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17772 _Software.ID 2 _Software.Name CNS _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . . 17772 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17772 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17772 _Software.ID 3 _Software.Name CYANA _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17772 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17772 3 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 17772 _Software.ID 4 _Software.Name NMRView _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17772 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17772 4 stop_ save_ save_CYANA_followed_by_HADDOCK _Method.Sf_category method _Method.Sf_framecode CYANA_followed_by_HADDOCK _Method.Entry_ID 17772 _Method.ID 1 _Method.Derivation_type . _Method.Details 'CYANA followed by HADDOCK' _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17772 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17772 _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 spectrometer_1 Varian UnityInova . 600 . . . 17772 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 17772 _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 '15N-HSQC-NOESY 13C-HSQC-NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17772 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17772 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID 1 _NMR_spec_expt.Method_label $CYANA_followed_by_HADDOCK _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17772 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0.000 external direct 1 . . . . . . . . . 17772 1 H 1 HDO H . . . . ppm 4.812 internal direct 1 . . . . . . . . . 17772 1 N 15 'Liquid NH3' N . . . . ppm 0.000 external direct 1 . . . . . . . . . 17772 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 17772 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3ztg/ebi/rring-new.bmrb.csh' _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 '15N-HSQC-NOESY 13C-HSQC-NOESY' 1 $sample_1 solution 17772 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.003 0.02 . 1 . 2 . . 1 GLY HA2 . 17772 1 2 . 1 1 1 1 GLY HA3 H 1 4.003 0.02 . 1 . 3 . . 1 GLY HA3 . 17772 1 3 . 1 1 1 1 GLY CA C 13 43.479 0.40 . 1 . 1 . . 1 GLY CA . 17772 1 4 . 1 1 2 2 PRO HA H 1 4.496 0.02 . 1 . 6 . . 2 PRO HA . 17772 1 5 . 1 1 2 2 PRO HB2 H 1 1.977 0.02 . 1 . 8 . . 2 PRO HB2 . 17772 1 6 . 1 1 2 2 PRO HB3 H 1 2.336 0.02 . 1 . 9 . . 2 PRO HB3 . 17772 1 7 . 1 1 2 2 PRO HG2 H 1 1.998 0.02 . 1 . 11 . . 2 PRO HG2 . 17772 1 8 . 1 1 2 2 PRO HG3 H 1 2.031 0.02 . 1 . 12 . . 2 PRO HG3 . 17772 1 9 . 1 1 2 2 PRO HD2 H 1 3.589 0.02 . 1 . 13 . . 2 PRO HD2 . 17772 1 10 . 1 1 2 2 PRO HD3 H 1 3.609 0.02 . 1 . 14 . . 2 PRO HD3 . 17772 1 11 . 1 1 2 2 PRO CA C 13 63.242 0.40 . 1 . 5 . . 2 PRO CA . 17772 1 12 . 1 1 2 2 PRO CB C 13 32.438 0.40 . 1 . 7 . . 2 PRO CB . 17772 1 13 . 1 1 2 2 PRO CG C 13 27.139 0.40 . 1 . 10 . . 2 PRO CG . 17772 1 14 . 1 1 2 2 PRO CD C 13 49.729 0.40 . 1 . 4 . . 2 PRO CD . 17772 1 15 . 1 1 3 3 LEU H H 1 8.649 0.02 . 1 . 16 . . 3 LEU H . 17772 1 16 . 1 1 3 3 LEU HA H 1 4.397 0.02 . 1 . 18 . . 3 LEU HA . 17772 1 17 . 1 1 3 3 LEU HB2 H 1 1.644 0.02 . 1 . 20 . . 3 LEU HB2 . 17772 1 18 . 1 1 3 3 LEU HB3 H 1 1.667 0.02 . 1 . 21 . . 3 LEU HB3 . 17772 1 19 . 1 1 3 3 LEU HG H 1 1.826 0.02 . 1 . 23 . . 3 LEU HG . 17772 1 20 . 1 1 3 3 LEU HD11 H 1 0.945 0.02 . 1 . 25 . . 3 LEU HD11 . 17772 1 21 . 1 1 3 3 LEU HD12 H 1 0.945 0.02 . 1 . 25 . . 3 LEU HD12 . 17772 1 22 . 1 1 3 3 LEU HD13 H 1 0.945 0.02 . 1 . 25 . . 3 LEU HD13 . 17772 1 23 . 1 1 3 3 LEU HD21 H 1 0.910 0.02 . 1 . 27 . . 3 LEU HD21 . 17772 1 24 . 1 1 3 3 LEU HD22 H 1 0.910 0.02 . 1 . 27 . . 3 LEU HD22 . 17772 1 25 . 1 1 3 3 LEU HD23 H 1 0.910 0.02 . 1 . 27 . . 3 LEU HD23 . 17772 1 26 . 1 1 3 3 LEU CA C 13 55.619 0.40 . 1 . 17 . . 3 LEU CA . 17772 1 27 . 1 1 3 3 LEU CB C 13 42.164 0.40 . 1 . 19 . . 3 LEU CB . 17772 1 28 . 1 1 3 3 LEU CG C 13 27.525 0.40 . 1 . 22 . . 3 LEU CG . 17772 1 29 . 1 1 3 3 LEU CD1 C 13 24.995 0.40 . 1 . 24 . . 3 LEU CD1 . 17772 1 30 . 1 1 3 3 LEU CD2 C 13 23.697 0.40 . 1 . 26 . . 3 LEU CD2 . 17772 1 31 . 1 1 3 3 LEU N N 15 122.886 0.40 . 1 . 15 . . 3 LEU N . 17772 1 32 . 1 1 4 4 GLY H H 1 8.587 0.02 . 1 . 29 . . 4 GLY H . 17772 1 33 . 1 1 4 4 GLY HA2 H 1 3.976 0.02 . 1 . 31 . . 4 GLY HA2 . 17772 1 34 . 1 1 4 4 GLY HA3 H 1 4.119 0.02 . 1 . 32 . . 4 GLY HA3 . 17772 1 35 . 1 1 4 4 GLY CA C 13 45.373 0.40 . 1 . 30 . . 4 GLY CA . 17772 1 36 . 1 1 4 4 GLY N N 15 111.356 0.40 . 1 . 28 . . 4 GLY N . 17772 1 37 . 1 1 5 5 SER H H 1 8.178 0.02 . 1 . 34 . . 5 SER H . 17772 1 38 . 1 1 5 5 SER HA H 1 4.522 0.02 . 1 . 36 . . 5 SER HA . 17772 1 39 . 1 1 5 5 SER HB2 H 1 3.870 0.02 . 1 . 38 . . 5 SER HB2 . 17772 1 40 . 1 1 5 5 SER HB3 H 1 3.961 0.02 . 1 . 39 . . 5 SER HB3 . 17772 1 41 . 1 1 5 5 SER CA C 13 58.321 0.40 . 1 . 35 . . 5 SER CA . 17772 1 42 . 1 1 5 5 SER CB C 13 64.288 0.40 . 1 . 37 . . 5 SER CB . 17772 1 43 . 1 1 5 5 SER N N 15 116.544 0.40 . 1 . 33 . . 5 SER N . 17772 1 44 . 1 1 6 6 GLU H H 1 8.730 0.02 . 1 . 41 . . 6 GLU H . 17772 1 45 . 1 1 6 6 GLU HA H 1 4.278 0.02 . 1 . 43 . . 6 GLU HA . 17772 1 46 . 1 1 6 6 GLU HB2 H 1 1.959 0.02 . 1 . 45 . . 6 GLU HB2 . 17772 1 47 . 1 1 6 6 GLU HB3 H 1 2.098 0.02 . 1 . 46 . . 6 GLU HB3 . 17772 1 48 . 1 1 6 6 GLU HG2 H 1 2.298 0.02 . 1 . 48 . . 6 GLU HG2 . 17772 1 49 . 1 1 6 6 GLU HG3 H 1 2.298 0.02 . 1 . 49 . . 6 GLU HG3 . 17772 1 50 . 1 1 6 6 GLU CA C 13 57.264 0.40 . 1 . 42 . . 6 GLU CA . 17772 1 51 . 1 1 6 6 GLU CB C 13 29.932 0.40 . 1 . 44 . . 6 GLU CB . 17772 1 52 . 1 1 6 6 GLU CG C 13 36.268 0.40 . 1 . 47 . . 6 GLU CG . 17772 1 53 . 1 1 6 6 GLU N N 15 122.843 0.40 . 1 . 40 . . 6 GLU N . 17772 1 54 . 1 1 7 7 ASP H H 1 8.195 0.02 . 1 . 51 . . 7 ASP H . 17772 1 55 . 1 1 7 7 ASP HA H 1 4.636 0.02 . 1 . 53 . . 7 ASP HA . 17772 1 56 . 1 1 7 7 ASP HB2 H 1 2.555 0.02 . 1 . 55 . . 7 ASP HB2 . 17772 1 57 . 1 1 7 7 ASP HB3 H 1 2.731 0.02 . 1 . 56 . . 7 ASP HB3 . 17772 1 58 . 1 1 7 7 ASP CA C 13 54.359 0.40 . 1 . 52 . . 7 ASP CA . 17772 1 59 . 1 1 7 7 ASP CB C 13 41.459 0.40 . 1 . 54 . . 7 ASP CB . 17772 1 60 . 1 1 7 7 ASP N N 15 120.371 0.40 . 1 . 50 . . 7 ASP N . 17772 1 61 . 1 1 8 8 ASP H H 1 8.138 0.02 . 1 . 58 . . 8 ASP H . 17772 1 62 . 1 1 8 8 ASP HA H 1 4.892 0.02 . 1 . 60 . . 8 ASP HA . 17772 1 63 . 1 1 8 8 ASP HB2 H 1 2.540 0.02 . 1 . 62 . . 8 ASP HB2 . 17772 1 64 . 1 1 8 8 ASP HB3 H 1 2.732 0.02 . 1 . 63 . . 8 ASP HB3 . 17772 1 65 . 1 1 8 8 ASP CA C 13 52.820 0.40 . 1 . 59 . . 8 ASP CA . 17772 1 66 . 1 1 8 8 ASP CB C 13 40.742 0.40 . 1 . 61 . . 8 ASP CB . 17772 1 67 . 1 1 8 8 ASP N N 15 122.308 0.40 . 1 . 57 . . 8 ASP N . 17772 1 68 . 1 1 9 9 PRO HA H 1 4.464 0.02 . 1 . 66 . . 9 PRO HA . 17772 1 69 . 1 1 9 9 PRO HB2 H 1 1.854 0.02 . 1 . 68 . . 9 PRO HB2 . 17772 1 70 . 1 1 9 9 PRO HB3 H 1 2.243 0.02 . 1 . 69 . . 9 PRO HB3 . 17772 1 71 . 1 1 9 9 PRO HG2 H 1 2.018 0.02 . 1 . 71 . . 9 PRO HG2 . 17772 1 72 . 1 1 9 9 PRO HG3 H 1 2.017 0.02 . 1 . 72 . . 9 PRO HG3 . 17772 1 73 . 1 1 9 9 PRO HD2 H 1 3.715 0.02 . 1 . 73 . . 9 PRO HD2 . 17772 1 74 . 1 1 9 9 PRO HD3 H 1 3.776 0.02 . 1 . 74 . . 9 PRO HD3 . 17772 1 75 . 1 1 9 9 PRO CA C 13 62.877 0.40 . 1 . 65 . . 9 PRO CA . 17772 1 76 . 1 1 9 9 PRO CB C 13 32.158 0.40 . 1 . 67 . . 9 PRO CB . 17772 1 77 . 1 1 9 9 PRO CG C 13 27.283 0.40 . 1 . 70 . . 9 PRO CG . 17772 1 78 . 1 1 9 9 PRO CD C 13 50.529 0.40 . 1 . 64 . . 9 PRO CD . 17772 1 79 . 1 1 10 10 ILE H H 1 8.194 0.02 . 1 . 76 . . 10 ILE H . 17772 1 80 . 1 1 10 10 ILE HA H 1 4.027 0.02 . 1 . 78 . . 10 ILE HA . 17772 1 81 . 1 1 10 10 ILE HB H 1 1.549 0.02 . 1 . 80 . . 10 ILE HB . 17772 1 82 . 1 1 10 10 ILE HG12 H 1 0.944 0.02 . 1 . 84 . . 10 ILE HG12 . 17772 1 83 . 1 1 10 10 ILE HG13 H 1 1.489 0.02 . 1 . 85 . . 10 ILE HG13 . 17772 1 84 . 1 1 10 10 ILE HG21 H 1 0.509 0.02 . 1 . 82 . . 10 ILE HG21 . 17772 1 85 . 1 1 10 10 ILE HG22 H 1 0.509 0.02 . 1 . 82 . . 10 ILE HG22 . 17772 1 86 . 1 1 10 10 ILE HG23 H 1 0.509 0.02 . 1 . 82 . . 10 ILE HG23 . 17772 1 87 . 1 1 10 10 ILE HD11 H 1 0.690 0.02 . 1 . 87 . . 10 ILE HD11 . 17772 1 88 . 1 1 10 10 ILE HD12 H 1 0.690 0.02 . 1 . 87 . . 10 ILE HD12 . 17772 1 89 . 1 1 10 10 ILE HD13 H 1 0.690 0.02 . 1 . 87 . . 10 ILE HD13 . 17772 1 90 . 1 1 10 10 ILE CA C 13 58.687 0.40 . 1 . 77 . . 10 ILE CA . 17772 1 91 . 1 1 10 10 ILE CB C 13 39.350 0.40 . 1 . 79 . . 10 ILE CB . 17772 1 92 . 1 1 10 10 ILE CG1 C 13 27.756 0.40 . 1 . 83 . . 10 ILE CG1 . 17772 1 93 . 1 1 10 10 ILE CG2 C 13 16.957 0.40 . 1 . 81 . . 10 ILE CG2 . 17772 1 94 . 1 1 10 10 ILE CD1 C 13 13.161 0.40 . 1 . 86 . . 10 ILE CD1 . 17772 1 95 . 1 1 10 10 ILE N N 15 123.735 0.40 . 1 . 75 . . 10 ILE N . 17772 1 96 . 1 1 11 11 PRO HA H 1 4.198 0.02 . 1 . 90 . . 11 PRO HA . 17772 1 97 . 1 1 11 11 PRO HB2 H 1 1.562 0.02 . 1 . 92 . . 11 PRO HB2 . 17772 1 98 . 1 1 11 11 PRO HB3 H 1 2.311 0.02 . 1 . 93 . . 11 PRO HB3 . 17772 1 99 . 1 1 11 11 PRO HG2 H 1 1.732 0.02 . 1 . 95 . . 11 PRO HG2 . 17772 1 100 . 1 1 11 11 PRO HG3 H 1 1.864 0.02 . 1 . 96 . . 11 PRO HG3 . 17772 1 101 . 1 1 11 11 PRO HD2 H 1 2.683 0.02 . 1 . 97 . . 11 PRO HD2 . 17772 1 102 . 1 1 11 11 PRO HD3 H 1 3.722 0.02 . 1 . 98 . . 11 PRO HD3 . 17772 1 103 . 1 1 11 11 PRO CA C 13 63.397 0.40 . 1 . 89 . . 11 PRO CA . 17772 1 104 . 1 1 11 11 PRO CB C 13 32.479 0.40 . 1 . 91 . . 11 PRO CB . 17772 1 105 . 1 1 11 11 PRO CG C 13 27.479 0.40 . 1 . 94 . . 11 PRO CG . 17772 1 106 . 1 1 11 11 PRO CD C 13 51.404 0.40 . 1 . 88 . . 11 PRO CD . 17772 1 107 . 1 1 12 12 ASP H H 1 8.254 0.02 . 1 . 100 . . 12 ASP H . 17772 1 108 . 1 1 12 12 ASP HA H 1 4.069 0.02 . 1 . 102 . . 12 ASP HA . 17772 1 109 . 1 1 12 12 ASP HB2 H 1 2.523 0.02 . 1 . 104 . . 12 ASP HB2 . 17772 1 110 . 1 1 12 12 ASP HB3 H 1 2.523 0.02 . 1 . 105 . . 12 ASP HB3 . 17772 1 111 . 1 1 12 12 ASP CA C 13 57.715 0.40 . 1 . 101 . . 12 ASP CA . 17772 1 112 . 1 1 12 12 ASP CB C 13 41.397 0.40 . 1 . 103 . . 12 ASP CB . 17772 1 113 . 1 1 12 12 ASP N N 15 123.732 0.40 . 1 . 99 . . 12 ASP N . 17772 1 114 . 1 1 13 13 GLU H H 1 9.685 0.02 . 1 . 107 . . 13 GLU H . 17772 1 115 . 1 1 13 13 GLU HA H 1 4.024 0.02 . 1 . 109 . . 13 GLU HA . 17772 1 116 . 1 1 13 13 GLU HB2 H 1 2.336 0.02 . 1 . 111 . . 13 GLU HB2 . 17772 1 117 . 1 1 13 13 GLU HB3 H 1 2.411 0.02 . 1 . 112 . . 13 GLU HB3 . 17772 1 118 . 1 1 13 13 GLU HG2 H 1 2.121 0.02 . 1 . 114 . . 13 GLU HG2 . 17772 1 119 . 1 1 13 13 GLU HG3 H 1 2.280 0.02 . 1 . 115 . . 13 GLU HG3 . 17772 1 120 . 1 1 13 13 GLU CA C 13 57.204 0.40 . 1 . 108 . . 13 GLU CA . 17772 1 121 . 1 1 13 13 GLU CB C 13 28.801 0.40 . 1 . 110 . . 13 GLU CB . 17772 1 122 . 1 1 13 13 GLU CG C 13 35.823 0.40 . 1 . 113 . . 13 GLU CG . 17772 1 123 . 1 1 13 13 GLU N N 15 117.472 0.40 . 1 . 106 . . 13 GLU N . 17772 1 124 . 1 1 14 14 LEU H H 1 7.434 0.02 . 1 . 117 . . 14 LEU H . 17772 1 125 . 1 1 14 14 LEU HA H 1 4.210 0.02 . 1 . 119 . . 14 LEU HA . 17772 1 126 . 1 1 14 14 LEU HB2 H 1 1.274 0.02 . 1 . 121 . . 14 LEU HB2 . 17772 1 127 . 1 1 14 14 LEU HB3 H 1 1.457 0.02 . 1 . 122 . . 14 LEU HB3 . 17772 1 128 . 1 1 14 14 LEU HG H 1 1.293 0.02 . 1 . 124 . . 14 LEU HG . 17772 1 129 . 1 1 14 14 LEU HD11 H 1 0.529 0.02 . 1 . 126 . . 14 LEU HD11 . 17772 1 130 . 1 1 14 14 LEU HD12 H 1 0.529 0.02 . 1 . 126 . . 14 LEU HD12 . 17772 1 131 . 1 1 14 14 LEU HD13 H 1 0.529 0.02 . 1 . 126 . . 14 LEU HD13 . 17772 1 132 . 1 1 14 14 LEU HD21 H 1 0.358 0.02 . 1 . 128 . . 14 LEU HD21 . 17772 1 133 . 1 1 14 14 LEU HD22 H 1 0.358 0.02 . 1 . 128 . . 14 LEU HD22 . 17772 1 134 . 1 1 14 14 LEU HD23 H 1 0.358 0.02 . 1 . 128 . . 14 LEU HD23 . 17772 1 135 . 1 1 14 14 LEU CA C 13 53.789 0.40 . 1 . 118 . . 14 LEU CA . 17772 1 136 . 1 1 14 14 LEU CB C 13 41.172 0.40 . 1 . 120 . . 14 LEU CB . 17772 1 137 . 1 1 14 14 LEU CG C 13 27.260 0.40 . 1 . 123 . . 14 LEU CG . 17772 1 138 . 1 1 14 14 LEU CD1 C 13 21.801 0.40 . 1 . 125 . . 14 LEU CD1 . 17772 1 139 . 1 1 14 14 LEU CD2 C 13 25.913 0.40 . 1 . 127 . . 14 LEU CD2 . 17772 1 140 . 1 1 14 14 LEU N N 15 114.466 0.40 . 1 . 116 . . 14 LEU N . 17772 1 141 . 1 1 15 15 LEU H H 1 7.182 0.02 . 1 . 130 . . 15 LEU H . 17772 1 142 . 1 1 15 15 LEU HA H 1 4.237 0.02 . 1 . 132 . . 15 LEU HA . 17772 1 143 . 1 1 15 15 LEU HB2 H 1 0.985 0.02 . 1 . 134 . . 15 LEU HB2 . 17772 1 144 . 1 1 15 15 LEU HB3 H 1 1.678 0.02 . 1 . 135 . . 15 LEU HB3 . 17772 1 145 . 1 1 15 15 LEU HG H 1 1.446 0.02 . 1 . 137 . . 15 LEU HG . 17772 1 146 . 1 1 15 15 LEU HD11 H 1 0.726 0.02 . 1 . 139 . . 15 LEU HD11 . 17772 1 147 . 1 1 15 15 LEU HD12 H 1 0.726 0.02 . 1 . 139 . . 15 LEU HD12 . 17772 1 148 . 1 1 15 15 LEU HD13 H 1 0.726 0.02 . 1 . 139 . . 15 LEU HD13 . 17772 1 149 . 1 1 15 15 LEU HD21 H 1 0.518 0.02 . 1 . 141 . . 15 LEU HD21 . 17772 1 150 . 1 1 15 15 LEU HD22 H 1 0.518 0.02 . 1 . 141 . . 15 LEU HD22 . 17772 1 151 . 1 1 15 15 LEU HD23 H 1 0.518 0.02 . 1 . 141 . . 15 LEU HD23 . 17772 1 152 . 1 1 15 15 LEU CA C 13 53.713 0.40 . 1 . 131 . . 15 LEU CA . 17772 1 153 . 1 1 15 15 LEU CB C 13 43.602 0.40 . 1 . 133 . . 15 LEU CB . 17772 1 154 . 1 1 15 15 LEU CG C 13 25.719 0.40 . 1 . 136 . . 15 LEU CG . 17772 1 155 . 1 1 15 15 LEU CD1 C 13 25.536 0.40 . 1 . 138 . . 15 LEU CD1 . 17772 1 156 . 1 1 15 15 LEU CD2 C 13 23.462 0.40 . 1 . 140 . . 15 LEU CD2 . 17772 1 157 . 1 1 15 15 LEU N N 15 119.188 0.40 . 1 . 129 . . 15 LEU N . 17772 1 158 . 1 1 16 16 CYS H H 1 8.922 0.02 . 1 . 143 . . 16 CYS H . 17772 1 159 . 1 1 16 16 CYS HA H 1 4.261 0.02 . 1 . 145 . . 16 CYS HA . 17772 1 160 . 1 1 16 16 CYS HB2 H 1 3.213 0.02 . 1 . 147 . . 16 CYS HB2 . 17772 1 161 . 1 1 16 16 CYS HB3 H 1 3.732 0.02 . 1 . 148 . . 16 CYS HB3 . 17772 1 162 . 1 1 16 16 CYS CA C 13 59.815 0.40 . 1 . 144 . . 16 CYS CA . 17772 1 163 . 1 1 16 16 CYS CB C 13 34.011 0.40 . 1 . 146 . . 16 CYS CB . 17772 1 164 . 1 1 16 16 CYS N N 15 128.041 0.40 . 1 . 142 . . 16 CYS N . 17772 1 165 . 1 1 17 17 LEU H H 1 7.782 0.02 . 1 . 150 . . 17 LEU H . 17772 1 166 . 1 1 17 17 LEU HA H 1 4.155 0.02 . 1 . 152 . . 17 LEU HA . 17772 1 167 . 1 1 17 17 LEU HB2 H 1 1.722 0.02 . 1 . 154 . . 17 LEU HB2 . 17772 1 168 . 1 1 17 17 LEU HB3 H 1 1.840 0.02 . 1 . 155 . . 17 LEU HB3 . 17772 1 169 . 1 1 17 17 LEU HG H 1 1.932 0.02 . 1 . 157 . . 17 LEU HG . 17772 1 170 . 1 1 17 17 LEU HD11 H 1 0.919 0.02 . 1 . 159 . . 17 LEU HD11 . 17772 1 171 . 1 1 17 17 LEU HD12 H 1 0.919 0.02 . 1 . 159 . . 17 LEU HD12 . 17772 1 172 . 1 1 17 17 LEU HD13 H 1 0.919 0.02 . 1 . 159 . . 17 LEU HD13 . 17772 1 173 . 1 1 17 17 LEU HD21 H 1 0.925 0.02 . 1 . 161 . . 17 LEU HD21 . 17772 1 174 . 1 1 17 17 LEU HD22 H 1 0.925 0.02 . 1 . 161 . . 17 LEU HD22 . 17772 1 175 . 1 1 17 17 LEU HD23 H 1 0.925 0.02 . 1 . 161 . . 17 LEU HD23 . 17772 1 176 . 1 1 17 17 LEU CA C 13 57.488 0.40 . 1 . 151 . . 17 LEU CA . 17772 1 177 . 1 1 17 17 LEU CB C 13 43.161 0.40 . 1 . 153 . . 17 LEU CB . 17772 1 178 . 1 1 17 17 LEU CG C 13 27.398 0.40 . 1 . 156 . . 17 LEU CG . 17772 1 179 . 1 1 17 17 LEU CD1 C 13 25.335 0.40 . 1 . 158 . . 17 LEU CD1 . 17772 1 180 . 1 1 17 17 LEU CD2 C 13 23.126 0.40 . 1 . 160 . . 17 LEU CD2 . 17772 1 181 . 1 1 17 17 LEU N N 15 128.965 0.40 . 1 . 149 . . 17 LEU N . 17772 1 182 . 1 1 18 18 ILE H H 1 9.382 0.02 . 1 . 163 . . 18 ILE H . 17772 1 183 . 1 1 18 18 ILE HA H 1 4.110 0.02 . 1 . 165 . . 18 ILE HA . 17772 1 184 . 1 1 18 18 ILE HB H 1 1.886 0.02 . 1 . 167 . . 18 ILE HB . 17772 1 185 . 1 1 18 18 ILE HG12 H 1 1.040 0.02 . 1 . 171 . . 18 ILE HG12 . 17772 1 186 . 1 1 18 18 ILE HG13 H 1 1.714 0.02 . 1 . 172 . . 18 ILE HG13 . 17772 1 187 . 1 1 18 18 ILE HG21 H 1 0.969 0.02 . 1 . 169 . . 18 ILE HG21 . 17772 1 188 . 1 1 18 18 ILE HG22 H 1 0.969 0.02 . 1 . 169 . . 18 ILE HG22 . 17772 1 189 . 1 1 18 18 ILE HG23 H 1 0.969 0.02 . 1 . 169 . . 18 ILE HG23 . 17772 1 190 . 1 1 18 18 ILE HD11 H 1 0.486 0.02 . 1 . 174 . . 18 ILE HD11 . 17772 1 191 . 1 1 18 18 ILE HD12 H 1 0.486 0.02 . 1 . 174 . . 18 ILE HD12 . 17772 1 192 . 1 1 18 18 ILE HD13 H 1 0.486 0.02 . 1 . 174 . . 18 ILE HD13 . 17772 1 193 . 1 1 18 18 ILE CA C 13 64.532 0.40 . 1 . 164 . . 18 ILE CA . 17772 1 194 . 1 1 18 18 ILE CB C 13 39.516 0.40 . 1 . 166 . . 18 ILE CB . 17772 1 195 . 1 1 18 18 ILE CG1 C 13 28.242 0.40 . 1 . 170 . . 18 ILE CG1 . 17772 1 196 . 1 1 18 18 ILE CG2 C 13 16.553 0.40 . 1 . 168 . . 18 ILE CG2 . 17772 1 197 . 1 1 18 18 ILE CD1 C 13 14.344 0.40 . 1 . 173 . . 18 ILE CD1 . 17772 1 198 . 1 1 18 18 ILE N N 15 121.644 0.40 . 1 . 162 . . 18 ILE N . 17772 1 199 . 1 1 19 19 CYS H H 1 8.529 0.02 . 1 . 176 . . 19 CYS H . 17772 1 200 . 1 1 19 19 CYS HA H 1 4.731 0.02 . 1 . 178 . . 19 CYS HA . 17772 1 201 . 1 1 19 19 CYS HB2 H 1 3.211 0.02 . 1 . 180 . . 19 CYS HB2 . 17772 1 202 . 1 1 19 19 CYS HB3 H 1 3.211 0.02 . 1 . 181 . . 19 CYS HB3 . 17772 1 203 . 1 1 19 19 CYS CA C 13 59.794 0.40 . 1 . 177 . . 19 CYS CA . 17772 1 204 . 1 1 19 19 CYS CB C 13 31.616 0.40 . 1 . 179 . . 19 CYS CB . 17772 1 205 . 1 1 19 19 CYS N N 15 119.844 0.40 . 1 . 175 . . 19 CYS N . 17772 1 206 . 1 1 20 20 LYS H H 1 7.896 0.02 . 1 . 183 . . 20 LYS H . 17772 1 207 . 1 1 20 20 LYS HA H 1 4.014 0.02 . 1 . 185 . . 20 LYS HA . 17772 1 208 . 1 1 20 20 LYS HB2 H 1 2.005 0.02 . 1 . 187 . . 20 LYS HB2 . 17772 1 209 . 1 1 20 20 LYS HB3 H 1 2.139 0.02 . 1 . 188 . . 20 LYS HB3 . 17772 1 210 . 1 1 20 20 LYS HG2 H 1 1.271 0.02 . 1 . 190 . . 20 LYS HG2 . 17772 1 211 . 1 1 20 20 LYS HG3 H 1 1.356 0.02 . 1 . 191 . . 20 LYS HG3 . 17772 1 212 . 1 1 20 20 LYS HD2 H 1 1.596 0.02 . 1 . 193 . . 20 LYS HD2 . 17772 1 213 . 1 1 20 20 LYS HD3 H 1 1.663 0.02 . 1 . 194 . . 20 LYS HD3 . 17772 1 214 . 1 1 20 20 LYS HE2 H 1 2.993 0.02 . 1 . 196 . . 20 LYS HE2 . 17772 1 215 . 1 1 20 20 LYS HE3 H 1 2.989 0.02 . 1 . 197 . . 20 LYS HE3 . 17772 1 216 . 1 1 20 20 LYS CA C 13 57.191 0.40 . 1 . 184 . . 20 LYS CA . 17772 1 217 . 1 1 20 20 LYS CB C 13 28.759 0.40 . 1 . 186 . . 20 LYS CB . 17772 1 218 . 1 1 20 20 LYS CG C 13 24.909 0.40 . 1 . 189 . . 20 LYS CG . 17772 1 219 . 1 1 20 20 LYS CD C 13 28.683 0.40 . 1 . 192 . . 20 LYS CD . 17772 1 220 . 1 1 20 20 LYS CE C 13 42.562 0.40 . 1 . 195 . . 20 LYS CE . 17772 1 221 . 1 1 20 20 LYS N N 15 117.424 0.40 . 1 . 182 . . 20 LYS N . 17772 1 222 . 1 1 21 21 ASP H H 1 8.286 0.02 . 1 . 199 . . 21 ASP H . 17772 1 223 . 1 1 21 21 ASP HA H 1 4.985 0.02 . 1 . 201 . . 21 ASP HA . 17772 1 224 . 1 1 21 21 ASP HB2 H 1 2.569 0.02 . 1 . 203 . . 21 ASP HB2 . 17772 1 225 . 1 1 21 21 ASP HB3 H 1 2.949 0.02 . 1 . 204 . . 21 ASP HB3 . 17772 1 226 . 1 1 21 21 ASP CA C 13 51.048 0.40 . 1 . 200 . . 21 ASP CA . 17772 1 227 . 1 1 21 21 ASP CB C 13 44.411 0.40 . 1 . 202 . . 21 ASP CB . 17772 1 228 . 1 1 21 21 ASP N N 15 122.035 0.40 . 1 . 198 . . 21 ASP N . 17772 1 229 . 1 1 22 22 ILE H H 1 9.304 0.02 . 1 . 206 . . 22 ILE H . 17772 1 230 . 1 1 22 22 ILE HA H 1 4.105 0.02 . 1 . 208 . . 22 ILE HA . 17772 1 231 . 1 1 22 22 ILE HB H 1 1.549 0.02 . 1 . 210 . . 22 ILE HB . 17772 1 232 . 1 1 22 22 ILE HG12 H 1 1.200 0.02 . 1 . 214 . . 22 ILE HG12 . 17772 1 233 . 1 1 22 22 ILE HG13 H 1 1.545 0.02 . 1 . 215 . . 22 ILE HG13 . 17772 1 234 . 1 1 22 22 ILE HG21 H 1 0.915 0.02 . 1 . 212 . . 22 ILE HG21 . 17772 1 235 . 1 1 22 22 ILE HG22 H 1 0.915 0.02 . 1 . 212 . . 22 ILE HG22 . 17772 1 236 . 1 1 22 22 ILE HG23 H 1 0.915 0.02 . 1 . 212 . . 22 ILE HG23 . 17772 1 237 . 1 1 22 22 ILE HD11 H 1 0.819 0.02 . 1 . 217 . . 22 ILE HD11 . 17772 1 238 . 1 1 22 22 ILE HD12 H 1 0.819 0.02 . 1 . 217 . . 22 ILE HD12 . 17772 1 239 . 1 1 22 22 ILE HD13 H 1 0.819 0.02 . 1 . 217 . . 22 ILE HD13 . 17772 1 240 . 1 1 22 22 ILE CA C 13 61.591 0.40 . 1 . 207 . . 22 ILE CA . 17772 1 241 . 1 1 22 22 ILE CB C 13 38.709 0.40 . 1 . 209 . . 22 ILE CB . 17772 1 242 . 1 1 22 22 ILE CG1 C 13 29.496 0.40 . 1 . 213 . . 22 ILE CG1 . 17772 1 243 . 1 1 22 22 ILE CG2 C 13 17.056 0.40 . 1 . 211 . . 22 ILE CG2 . 17772 1 244 . 1 1 22 22 ILE CD1 C 13 15.378 0.40 . 1 . 216 . . 22 ILE CD1 . 17772 1 245 . 1 1 22 22 ILE N N 15 122.320 0.40 . 1 . 205 . . 22 ILE N . 17772 1 246 . 1 1 23 23 MET H H 1 7.821 0.02 . 1 . 219 . . 23 MET H . 17772 1 247 . 1 1 23 23 MET HA H 1 5.041 0.02 . 1 . 221 . . 23 MET HA . 17772 1 248 . 1 1 23 23 MET HB2 H 1 1.348 0.02 . 1 . 223 . . 23 MET HB2 . 17772 1 249 . 1 1 23 23 MET HB3 H 1 1.813 0.02 . 1 . 224 . . 23 MET HB3 . 17772 1 250 . 1 1 23 23 MET HG2 H 1 2.420 0.02 . 1 . 226 . . 23 MET HG2 . 17772 1 251 . 1 1 23 23 MET HG3 H 1 2.633 0.02 . 1 . 227 . . 23 MET HG3 . 17772 1 252 . 1 1 23 23 MET HE1 H 1 1.653 0.02 . 1 . 229 . . 23 MET HE1 . 17772 1 253 . 1 1 23 23 MET HE2 H 1 1.653 0.02 . 1 . 229 . . 23 MET HE2 . 17772 1 254 . 1 1 23 23 MET HE3 H 1 1.653 0.02 . 1 . 229 . . 23 MET HE3 . 17772 1 255 . 1 1 23 23 MET CA C 13 57.627 0.40 . 1 . 220 . . 23 MET CA . 17772 1 256 . 1 1 23 23 MET CB C 13 35.740 0.40 . 1 . 222 . . 23 MET CB . 17772 1 257 . 1 1 23 23 MET CG C 13 33.564 0.40 . 1 . 225 . . 23 MET CG . 17772 1 258 . 1 1 23 23 MET CE C 13 19.210 0.40 . 1 . 228 . . 23 MET CE . 17772 1 259 . 1 1 23 23 MET N N 15 124.632 0.40 . 1 . 218 . . 23 MET N . 17772 1 260 . 1 1 24 24 THR H H 1 9.011 0.02 . 1 . 231 . . 24 THR H . 17772 1 261 . 1 1 24 24 THR HA H 1 4.521 0.02 . 1 . 233 . . 24 THR HA . 17772 1 262 . 1 1 24 24 THR HB H 1 4.170 0.02 . 1 . 235 . . 24 THR HB . 17772 1 263 . 1 1 24 24 THR HG21 H 1 1.249 0.02 . 1 . 237 . . 24 THR HG21 . 17772 1 264 . 1 1 24 24 THR HG22 H 1 1.249 0.02 . 1 . 237 . . 24 THR HG22 . 17772 1 265 . 1 1 24 24 THR HG23 H 1 1.249 0.02 . 1 . 237 . . 24 THR HG23 . 17772 1 266 . 1 1 24 24 THR CA C 13 61.951 0.40 . 1 . 232 . . 24 THR CA . 17772 1 267 . 1 1 24 24 THR CB C 13 69.549 0.40 . 1 . 234 . . 24 THR CB . 17772 1 268 . 1 1 24 24 THR CG2 C 13 21.608 0.40 . 1 . 236 . . 24 THR CG2 . 17772 1 269 . 1 1 24 24 THR N N 15 125.509 0.40 . 1 . 230 . . 24 THR N . 17772 1 270 . 1 1 25 25 ASP H H 1 9.068 0.02 . 1 . 239 . . 25 ASP H . 17772 1 271 . 1 1 25 25 ASP HA H 1 4.100 0.02 . 1 . 241 . . 25 ASP HA . 17772 1 272 . 1 1 25 25 ASP HB2 H 1 2.729 0.02 . 1 . 243 . . 25 ASP HB2 . 17772 1 273 . 1 1 25 25 ASP HB3 H 1 2.840 0.02 . 1 . 244 . . 25 ASP HB3 . 17772 1 274 . 1 1 25 25 ASP CA C 13 55.282 0.40 . 1 . 240 . . 25 ASP CA . 17772 1 275 . 1 1 25 25 ASP CB C 13 39.266 0.40 . 1 . 242 . . 25 ASP CB . 17772 1 276 . 1 1 25 25 ASP N N 15 130.395 0.40 . 1 . 238 . . 25 ASP N . 17772 1 277 . 1 1 26 26 ALA H H 1 8.308 0.02 . 1 . 246 . . 26 ALA H . 17772 1 278 . 1 1 26 26 ALA HA H 1 4.476 0.02 . 1 . 248 . . 26 ALA HA . 17772 1 279 . 1 1 26 26 ALA HB1 H 1 1.297 0.02 . 1 . 250 . . 26 ALA HB1 . 17772 1 280 . 1 1 26 26 ALA HB2 H 1 1.297 0.02 . 1 . 250 . . 26 ALA HB2 . 17772 1 281 . 1 1 26 26 ALA HB3 H 1 1.297 0.02 . 1 . 250 . . 26 ALA HB3 . 17772 1 282 . 1 1 26 26 ALA CA C 13 53.554 0.40 . 1 . 247 . . 26 ALA CA . 17772 1 283 . 1 1 26 26 ALA CB C 13 21.597 0.40 . 1 . 249 . . 26 ALA CB . 17772 1 284 . 1 1 26 26 ALA N N 15 120.827 0.40 . 1 . 245 . . 26 ALA N . 17772 1 285 . 1 1 27 27 VAL H H 1 9.399 0.02 . 1 . 252 . . 27 VAL H . 17772 1 286 . 1 1 27 27 VAL HA H 1 5.186 0.02 . 1 . 254 . . 27 VAL HA . 17772 1 287 . 1 1 27 27 VAL HB H 1 1.972 0.02 . 1 . 256 . . 27 VAL HB . 17772 1 288 . 1 1 27 27 VAL HG11 H 1 1.022 0.02 . 1 . 258 . . 27 VAL HG11 . 17772 1 289 . 1 1 27 27 VAL HG12 H 1 1.022 0.02 . 1 . 258 . . 27 VAL HG12 . 17772 1 290 . 1 1 27 27 VAL HG13 H 1 1.022 0.02 . 1 . 258 . . 27 VAL HG13 . 17772 1 291 . 1 1 27 27 VAL HG21 H 1 0.986 0.02 . 1 . 260 . . 27 VAL HG21 . 17772 1 292 . 1 1 27 27 VAL HG22 H 1 0.986 0.02 . 1 . 260 . . 27 VAL HG22 . 17772 1 293 . 1 1 27 27 VAL HG23 H 1 0.986 0.02 . 1 . 260 . . 27 VAL HG23 . 17772 1 294 . 1 1 27 27 VAL CA C 13 58.936 0.40 . 1 . 253 . . 27 VAL CA . 17772 1 295 . 1 1 27 27 VAL CB C 13 35.982 0.40 . 1 . 255 . . 27 VAL CB . 17772 1 296 . 1 1 27 27 VAL CG1 C 13 21.329 0.40 . 1 . 257 . . 27 VAL CG1 . 17772 1 297 . 1 1 27 27 VAL CG2 C 13 20.731 0.40 . 1 . 259 . . 27 VAL CG2 . 17772 1 298 . 1 1 27 27 VAL N N 15 119.480 0.40 . 1 . 251 . . 27 VAL N . 17772 1 299 . 1 1 28 28 VAL H H 1 9.447 0.02 . 1 . 262 . . 28 VAL H . 17772 1 300 . 1 1 28 28 VAL HA H 1 5.087 0.02 . 1 . 264 . . 28 VAL HA . 17772 1 301 . 1 1 28 28 VAL HB H 1 1.823 0.02 . 1 . 266 . . 28 VAL HB . 17772 1 302 . 1 1 28 28 VAL HG11 H 1 0.884 0.02 . 1 . 268 . . 28 VAL HG11 . 17772 1 303 . 1 1 28 28 VAL HG12 H 1 0.884 0.02 . 1 . 268 . . 28 VAL HG12 . 17772 1 304 . 1 1 28 28 VAL HG13 H 1 0.884 0.02 . 1 . 268 . . 28 VAL HG13 . 17772 1 305 . 1 1 28 28 VAL HG21 H 1 0.873 0.02 . 1 . 270 . . 28 VAL HG21 . 17772 1 306 . 1 1 28 28 VAL HG22 H 1 0.873 0.02 . 1 . 270 . . 28 VAL HG22 . 17772 1 307 . 1 1 28 28 VAL HG23 H 1 0.873 0.02 . 1 . 270 . . 28 VAL HG23 . 17772 1 308 . 1 1 28 28 VAL CA C 13 59.234 0.40 . 1 . 263 . . 28 VAL CA . 17772 1 309 . 1 1 28 28 VAL CB C 13 35.280 0.40 . 1 . 265 . . 28 VAL CB . 17772 1 310 . 1 1 28 28 VAL CG1 C 13 22.308 0.40 . 1 . 267 . . 28 VAL CG1 . 17772 1 311 . 1 1 28 28 VAL CG2 C 13 21.063 0.40 . 1 . 269 . . 28 VAL CG2 . 17772 1 312 . 1 1 28 28 VAL N N 15 119.654 0.40 . 1 . 261 . . 28 VAL N . 17772 1 313 . 1 1 29 29 ILE H H 1 8.615 0.02 . 1 . 272 . . 29 ILE H . 17772 1 314 . 1 1 29 29 ILE HA H 1 5.108 0.02 . 1 . 274 . . 29 ILE HA . 17772 1 315 . 1 1 29 29 ILE HB H 1 1.686 0.02 . 1 . 276 . . 29 ILE HB . 17772 1 316 . 1 1 29 29 ILE HG12 H 1 1.519 0.02 . 1 . 280 . . 29 ILE HG12 . 17772 1 317 . 1 1 29 29 ILE HG13 H 1 2.422 0.02 . 1 . 281 . . 29 ILE HG13 . 17772 1 318 . 1 1 29 29 ILE HG21 H 1 1.732 0.02 . 1 . 278 . . 29 ILE HG21 . 17772 1 319 . 1 1 29 29 ILE HG22 H 1 1.732 0.02 . 1 . 278 . . 29 ILE HG22 . 17772 1 320 . 1 1 29 29 ILE HG23 H 1 1.732 0.02 . 1 . 278 . . 29 ILE HG23 . 17772 1 321 . 1 1 29 29 ILE HD11 H 1 1.142 0.02 . 1 . 283 . . 29 ILE HD11 . 17772 1 322 . 1 1 29 29 ILE HD12 H 1 1.142 0.02 . 1 . 283 . . 29 ILE HD12 . 17772 1 323 . 1 1 29 29 ILE HD13 H 1 1.142 0.02 . 1 . 283 . . 29 ILE HD13 . 17772 1 324 . 1 1 29 29 ILE CA C 13 57.028 0.40 . 1 . 273 . . 29 ILE CA . 17772 1 325 . 1 1 29 29 ILE CB C 13 44.341 0.40 . 1 . 275 . . 29 ILE CB . 17772 1 326 . 1 1 29 29 ILE CG1 C 13 30.597 0.40 . 1 . 279 . . 29 ILE CG1 . 17772 1 327 . 1 1 29 29 ILE CG2 C 13 19.510 0.40 . 1 . 277 . . 29 ILE CG2 . 17772 1 328 . 1 1 29 29 ILE CD1 C 13 15.042 0.40 . 1 . 282 . . 29 ILE CD1 . 17772 1 329 . 1 1 29 29 ILE N N 15 129.312 0.40 . 1 . 271 . . 29 ILE N . 17772 1 330 . 1 1 30 30 PRO HA H 1 4.392 0.02 . 1 . 286 . . 30 PRO HA . 17772 1 331 . 1 1 30 30 PRO HB2 H 1 2.090 0.02 . 1 . 288 . . 30 PRO HB2 . 17772 1 332 . 1 1 30 30 PRO HB3 H 1 2.260 0.02 . 1 . 289 . . 30 PRO HB3 . 17772 1 333 . 1 1 30 30 PRO HG2 H 1 2.077 0.02 . 1 . 291 . . 30 PRO HG2 . 17772 1 334 . 1 1 30 30 PRO HG3 H 1 2.045 0.02 . 1 . 292 . . 30 PRO HG3 . 17772 1 335 . 1 1 30 30 PRO HD2 H 1 3.710 0.02 . 1 . 293 . . 30 PRO HD2 . 17772 1 336 . 1 1 30 30 PRO HD3 H 1 3.790 0.02 . 1 . 294 . . 30 PRO HD3 . 17772 1 337 . 1 1 30 30 PRO CA C 13 64.947 0.40 . 1 . 285 . . 30 PRO CA . 17772 1 338 . 1 1 30 30 PRO CB C 13 32.349 0.40 . 1 . 287 . . 30 PRO CB . 17772 1 339 . 1 1 30 30 PRO CG C 13 27.821 0.40 . 1 . 290 . . 30 PRO CG . 17772 1 340 . 1 1 30 30 PRO CD C 13 51.333 0.40 . 1 . 284 . . 30 PRO CD . 17772 1 341 . 1 1 31 31 CYS H H 1 8.488 0.02 . 1 . 296 . . 31 CYS H . 17772 1 342 . 1 1 31 31 CYS HA H 1 4.255 0.02 . 1 . 298 . . 31 CYS HA . 17772 1 343 . 1 1 31 31 CYS HB2 H 1 2.717 0.02 . 1 . 300 . . 31 CYS HB2 . 17772 1 344 . 1 1 31 31 CYS HB3 H 1 2.834 0.02 . 1 . 301 . . 31 CYS HB3 . 17772 1 345 . 1 1 31 31 CYS CA C 13 56.806 0.40 . 1 . 297 . . 31 CYS CA . 17772 1 346 . 1 1 31 31 CYS CB C 13 29.134 0.40 . 1 . 299 . . 31 CYS CB . 17772 1 347 . 1 1 31 31 CYS N N 15 123.111 0.40 . 1 . 295 . . 31 CYS N . 17772 1 348 . 1 1 32 32 CYS H H 1 8.308 0.02 . 1 . 303 . . 32 CYS H . 17772 1 349 . 1 1 32 32 CYS HA H 1 4.979 0.02 . 1 . 305 . . 32 CYS HA . 17772 1 350 . 1 1 32 32 CYS HB2 H 1 2.756 0.02 . 1 . 307 . . 32 CYS HB2 . 17772 1 351 . 1 1 32 32 CYS HB3 H 1 3.012 0.02 . 1 . 308 . . 32 CYS HB3 . 17772 1 352 . 1 1 32 32 CYS CA C 13 57.115 0.40 . 1 . 304 . . 32 CYS CA . 17772 1 353 . 1 1 32 32 CYS CB C 13 32.084 0.40 . 1 . 306 . . 32 CYS CB . 17772 1 354 . 1 1 32 32 CYS N N 15 116.576 0.40 . 1 . 302 . . 32 CYS N . 17772 1 355 . 1 1 33 33 GLY H H 1 8.098 0.02 . 1 . 310 . . 33 GLY H . 17772 1 356 . 1 1 33 33 GLY HA2 H 1 3.899 0.02 . 1 . 312 . . 33 GLY HA2 . 17772 1 357 . 1 1 33 33 GLY HA3 H 1 4.343 0.02 . 1 . 313 . . 33 GLY HA3 . 17772 1 358 . 1 1 33 33 GLY CA C 13 47.202 0.40 . 1 . 311 . . 33 GLY CA . 17772 1 359 . 1 1 33 33 GLY N N 15 112.249 0.40 . 1 . 309 . . 33 GLY N . 17772 1 360 . 1 1 34 34 ASN H H 1 7.337 0.02 . 1 . 315 . . 34 ASN H . 17772 1 361 . 1 1 34 34 ASN HA H 1 4.654 0.02 . 1 . 317 . . 34 ASN HA . 17772 1 362 . 1 1 34 34 ASN HB2 H 1 2.245 0.02 . 1 . 319 . . 34 ASN HB2 . 17772 1 363 . 1 1 34 34 ASN HB3 H 1 3.026 0.02 . 1 . 320 . . 34 ASN HB3 . 17772 1 364 . 1 1 34 34 ASN HD21 H 1 8.930 0.02 . 1 . 322 . . 34 ASN HD21 . 17772 1 365 . 1 1 34 34 ASN HD22 H 1 7.501 0.02 . 1 . 323 . . 34 ASN HD22 . 17772 1 366 . 1 1 34 34 ASN CA C 13 55.047 0.40 . 1 . 316 . . 34 ASN CA . 17772 1 367 . 1 1 34 34 ASN CB C 13 40.946 0.40 . 1 . 318 . . 34 ASN CB . 17772 1 368 . 1 1 34 34 ASN N N 15 119.926 0.40 . 1 . 314 . . 34 ASN N . 17772 1 369 . 1 1 34 34 ASN ND2 N 15 121.806 0.40 . 1 . 321 . . 34 ASN ND2 . 17772 1 370 . 1 1 35 35 SER H H 1 8.081 0.02 . 1 . 325 . . 35 SER H . 17772 1 371 . 1 1 35 35 SER HA H 1 6.080 0.02 . 1 . 327 . . 35 SER HA . 17772 1 372 . 1 1 35 35 SER HB2 H 1 2.975 0.02 . 1 . 329 . . 35 SER HB2 . 17772 1 373 . 1 1 35 35 SER HB3 H 1 3.407 0.02 . 1 . 330 . . 35 SER HB3 . 17772 1 374 . 1 1 35 35 SER CA C 13 57.910 0.40 . 1 . 326 . . 35 SER CA . 17772 1 375 . 1 1 35 35 SER CB C 13 67.097 0.40 . 1 . 328 . . 35 SER CB . 17772 1 376 . 1 1 35 35 SER N N 15 122.355 0.40 . 1 . 324 . . 35 SER N . 17772 1 377 . 1 1 36 36 TYR H H 1 8.382 0.02 . 1 . 332 . . 36 TYR H . 17772 1 378 . 1 1 36 36 TYR HA H 1 5.041 0.02 . 1 . 334 . . 36 TYR HA . 17772 1 379 . 1 1 36 36 TYR HB2 H 1 2.274 0.02 . 1 . 336 . . 36 TYR HB2 . 17772 1 380 . 1 1 36 36 TYR HB3 H 1 3.353 0.02 . 1 . 337 . . 36 TYR HB3 . 17772 1 381 . 1 1 36 36 TYR HD1 H 1 6.845 0.02 . 3 . 339 . . 36 TYR HD1 . 17772 1 382 . 1 1 36 36 TYR HD2 H 1 6.845 0.02 . 3 . 343 . . 36 TYR HD2 . 17772 1 383 . 1 1 36 36 TYR HE1 H 1 6.484 0.02 . 3 . 341 . . 36 TYR HE1 . 17772 1 384 . 1 1 36 36 TYR HE2 H 1 6.484 0.02 . 3 . 342 . . 36 TYR HE2 . 17772 1 385 . 1 1 36 36 TYR HH H 1 5.979 0.02 . 1 . 344 . . 36 TYR HH . 17772 1 386 . 1 1 36 36 TYR CA C 13 55.337 0.40 . 1 . 333 . . 36 TYR CA . 17772 1 387 . 1 1 36 36 TYR CB C 13 44.956 0.40 . 1 . 335 . . 36 TYR CB . 17772 1 388 . 1 1 36 36 TYR CD1 C 13 133.384 0.40 . 3 . 338 . . 36 TYR CD1 . 17772 1 389 . 1 1 36 36 TYR CE1 C 13 117.376 0.40 . 3 . 340 . . 36 TYR CE1 . 17772 1 390 . 1 1 36 36 TYR N N 15 116.266 0.40 . 1 . 331 . . 36 TYR N . 17772 1 391 . 1 1 37 37 CYS H H 1 8.834 0.02 . 1 . 346 . . 37 CYS H . 17772 1 392 . 1 1 37 37 CYS HA H 1 4.257 0.02 . 1 . 348 . . 37 CYS HA . 17772 1 393 . 1 1 37 37 CYS HB2 H 1 3.359 0.02 . 1 . 350 . . 37 CYS HB2 . 17772 1 394 . 1 1 37 37 CYS HB3 H 1 3.633 0.02 . 1 . 351 . . 37 CYS HB3 . 17772 1 395 . 1 1 37 37 CYS CA C 13 60.971 0.40 . 1 . 347 . . 37 CYS CA . 17772 1 396 . 1 1 37 37 CYS CB C 13 31.861 0.40 . 1 . 349 . . 37 CYS CB . 17772 1 397 . 1 1 37 37 CYS N N 15 122.941 0.40 . 1 . 345 . . 37 CYS N . 17772 1 398 . 1 1 38 38 ASP H H 1 7.220 0.02 . 1 . 353 . . 38 ASP H . 17772 1 399 . 1 1 38 38 ASP HA H 1 4.255 0.02 . 1 . 355 . . 38 ASP HA . 17772 1 400 . 1 1 38 38 ASP HB2 H 1 2.707 0.02 . 1 . 357 . . 38 ASP HB2 . 17772 1 401 . 1 1 38 38 ASP HB3 H 1 3.342 0.02 . 1 . 358 . . 38 ASP HB3 . 17772 1 402 . 1 1 38 38 ASP CA C 13 59.062 0.40 . 1 . 354 . . 38 ASP CA . 17772 1 403 . 1 1 38 38 ASP CB C 13 42.404 0.40 . 1 . 356 . . 38 ASP CB . 17772 1 404 . 1 1 38 38 ASP N N 15 123.874 0.40 . 1 . 352 . . 38 ASP N . 17772 1 405 . 1 1 39 39 GLU H H 1 8.933 0.02 . 1 . 360 . . 39 GLU H . 17772 1 406 . 1 1 39 39 GLU HA H 1 3.950 0.02 . 1 . 362 . . 39 GLU HA . 17772 1 407 . 1 1 39 39 GLU HB2 H 1 2.046 0.02 . 1 . 364 . . 39 GLU HB2 . 17772 1 408 . 1 1 39 39 GLU HB3 H 1 2.088 0.02 . 1 . 365 . . 39 GLU HB3 . 17772 1 409 . 1 1 39 39 GLU HG2 H 1 2.296 0.02 . 1 . 367 . . 39 GLU HG2 . 17772 1 410 . 1 1 39 39 GLU HG3 H 1 2.328 0.02 . 1 . 368 . . 39 GLU HG3 . 17772 1 411 . 1 1 39 39 GLU CA C 13 59.695 0.40 . 1 . 361 . . 39 GLU CA . 17772 1 412 . 1 1 39 39 GLU CB C 13 30.037 0.40 . 1 . 363 . . 39 GLU CB . 17772 1 413 . 1 1 39 39 GLU CG C 13 36.196 0.40 . 1 . 366 . . 39 GLU CG . 17772 1 414 . 1 1 39 39 GLU N N 15 114.086 0.40 . 1 . 359 . . 39 GLU N . 17772 1 415 . 1 1 40 40 CYS H H 1 6.892 0.02 . 1 . 370 . . 40 CYS H . 17772 1 416 . 1 1 40 40 CYS HA H 1 3.971 0.02 . 1 . 372 . . 40 CYS HA . 17772 1 417 . 1 1 40 40 CYS HB2 H 1 2.931 0.02 . 1 . 374 . . 40 CYS HB2 . 17772 1 418 . 1 1 40 40 CYS HB3 H 1 2.924 0.02 . 1 . 375 . . 40 CYS HB3 . 17772 1 419 . 1 1 40 40 CYS CA C 13 63.993 0.40 . 1 . 371 . . 40 CYS CA . 17772 1 420 . 1 1 40 40 CYS CB C 13 30.120 0.40 . 1 . 373 . . 40 CYS CB . 17772 1 421 . 1 1 40 40 CYS N N 15 117.477 0.40 . 1 . 369 . . 40 CYS N . 17772 1 422 . 1 1 41 41 ILE H H 1 7.710 0.02 . 1 . 377 . . 41 ILE H . 17772 1 423 . 1 1 41 41 ILE HA H 1 4.059 0.02 . 1 . 379 . . 41 ILE HA . 17772 1 424 . 1 1 41 41 ILE HB H 1 1.051 0.02 . 1 . 381 . . 41 ILE HB . 17772 1 425 . 1 1 41 41 ILE HG12 H 1 0.865 0.02 . 1 . 385 . . 41 ILE HG12 . 17772 1 426 . 1 1 41 41 ILE HG13 H 1 0.957 0.02 . 1 . 386 . . 41 ILE HG13 . 17772 1 427 . 1 1 41 41 ILE HG21 H 1 1.048 0.02 . 1 . 383 . . 41 ILE HG21 . 17772 1 428 . 1 1 41 41 ILE HG22 H 1 1.048 0.02 . 1 . 383 . . 41 ILE HG22 . 17772 1 429 . 1 1 41 41 ILE HG23 H 1 1.048 0.02 . 1 . 383 . . 41 ILE HG23 . 17772 1 430 . 1 1 41 41 ILE HD11 H 1 0.188 0.02 . 1 . 388 . . 41 ILE HD11 . 17772 1 431 . 1 1 41 41 ILE HD12 H 1 0.188 0.02 . 1 . 388 . . 41 ILE HD12 . 17772 1 432 . 1 1 41 41 ILE HD13 H 1 0.188 0.02 . 1 . 388 . . 41 ILE HD13 . 17772 1 433 . 1 1 41 41 ILE CA C 13 58.757 0.40 . 1 . 378 . . 41 ILE CA . 17772 1 434 . 1 1 41 41 ILE CB C 13 37.589 0.40 . 1 . 380 . . 41 ILE CB . 17772 1 435 . 1 1 41 41 ILE CG1 C 13 30.676 0.40 . 1 . 384 . . 41 ILE CG1 . 17772 1 436 . 1 1 41 41 ILE CG2 C 13 21.371 0.40 . 1 . 382 . . 41 ILE CG2 . 17772 1 437 . 1 1 41 41 ILE CD1 C 13 13.843 0.40 . 1 . 387 . . 41 ILE CD1 . 17772 1 438 . 1 1 41 41 ILE N N 15 117.952 0.40 . 1 . 376 . . 41 ILE N . 17772 1 439 . 1 1 42 42 ARG H H 1 8.384 0.02 . 1 . 390 . . 42 ARG H . 17772 1 440 . 1 1 42 42 ARG HA H 1 3.649 0.02 . 1 . 392 . . 42 ARG HA . 17772 1 441 . 1 1 42 42 ARG HB2 H 1 1.719 0.02 . 1 . 394 . . 42 ARG HB2 . 17772 1 442 . 1 1 42 42 ARG HB3 H 1 1.831 0.02 . 1 . 395 . . 42 ARG HB3 . 17772 1 443 . 1 1 42 42 ARG HG2 H 1 1.419 0.02 . 1 . 397 . . 42 ARG HG2 . 17772 1 444 . 1 1 42 42 ARG HG3 H 1 1.621 0.02 . 1 . 398 . . 42 ARG HG3 . 17772 1 445 . 1 1 42 42 ARG HD2 H 1 2.942 0.02 . 1 . 400 . . 42 ARG HD2 . 17772 1 446 . 1 1 42 42 ARG HD3 H 1 3.259 0.02 . 1 . 401 . . 42 ARG HD3 . 17772 1 447 . 1 1 42 42 ARG HE H 1 8.467 0.02 . 1 . 403 . . 42 ARG HE . 17772 1 448 . 1 1 42 42 ARG HH11 H 1 7.006 0.02 . 1 . 404 . . 42 ARG HH11 . 17772 1 449 . 1 1 42 42 ARG HH21 H 1 6.665 0.02 . 1 . 405 . . 42 ARG HH21 . 17772 1 450 . 1 1 42 42 ARG CA C 13 61.724 0.40 . 1 . 391 . . 42 ARG CA . 17772 1 451 . 1 1 42 42 ARG CB C 13 30.523 0.40 . 1 . 393 . . 42 ARG CB . 17772 1 452 . 1 1 42 42 ARG CG C 13 29.102 0.40 . 1 . 396 . . 42 ARG CG . 17772 1 453 . 1 1 42 42 ARG CD C 13 42.785 0.40 . 1 . 399 . . 42 ARG CD . 17772 1 454 . 1 1 42 42 ARG N N 15 126.302 0.40 . 1 . 389 . . 42 ARG N . 17772 1 455 . 1 1 42 42 ARG NE N 15 85.429 0.40 . 1 . 402 . . 42 ARG NE . 17772 1 456 . 1 1 43 43 THR H H 1 7.681 0.02 . 1 . 407 . . 43 THR H . 17772 1 457 . 1 1 43 43 THR HA H 1 3.819 0.02 . 1 . 409 . . 43 THR HA . 17772 1 458 . 1 1 43 43 THR HB H 1 4.237 0.02 . 1 . 411 . . 43 THR HB . 17772 1 459 . 1 1 43 43 THR HG21 H 1 1.206 0.02 . 1 . 413 . . 43 THR HG21 . 17772 1 460 . 1 1 43 43 THR HG22 H 1 1.206 0.02 . 1 . 413 . . 43 THR HG22 . 17772 1 461 . 1 1 43 43 THR HG23 H 1 1.206 0.02 . 1 . 413 . . 43 THR HG23 . 17772 1 462 . 1 1 43 43 THR CA C 13 66.818 0.40 . 1 . 408 . . 43 THR CA . 17772 1 463 . 1 1 43 43 THR CB C 13 68.809 0.40 . 1 . 410 . . 43 THR CB . 17772 1 464 . 1 1 43 43 THR CG2 C 13 21.561 0.40 . 1 . 412 . . 43 THR CG2 . 17772 1 465 . 1 1 43 43 THR N N 15 112.719 0.40 . 1 . 406 . . 43 THR N . 17772 1 466 . 1 1 44 44 ALA H H 1 7.474 0.02 . 1 . 415 . . 44 ALA H . 17772 1 467 . 1 1 44 44 ALA HA H 1 4.117 0.02 . 1 . 417 . . 44 ALA HA . 17772 1 468 . 1 1 44 44 ALA HB1 H 1 1.421 0.02 . 1 . 419 . . 44 ALA HB1 . 17772 1 469 . 1 1 44 44 ALA HB2 H 1 1.421 0.02 . 1 . 419 . . 44 ALA HB2 . 17772 1 470 . 1 1 44 44 ALA HB3 H 1 1.421 0.02 . 1 . 419 . . 44 ALA HB3 . 17772 1 471 . 1 1 44 44 ALA CA C 13 55.297 0.40 . 1 . 416 . . 44 ALA CA . 17772 1 472 . 1 1 44 44 ALA CB C 13 18.157 0.40 . 1 . 418 . . 44 ALA CB . 17772 1 473 . 1 1 44 44 ALA N N 15 123.181 0.40 . 1 . 414 . . 44 ALA N . 17772 1 474 . 1 1 45 45 LEU H H 1 8.397 0.02 . 1 . 421 . . 45 LEU H . 17772 1 475 . 1 1 45 45 LEU HA H 1 3.999 0.02 . 1 . 423 . . 45 LEU HA . 17772 1 476 . 1 1 45 45 LEU HB2 H 1 1.077 0.02 . 1 . 425 . . 45 LEU HB2 . 17772 1 477 . 1 1 45 45 LEU HB3 H 1 1.858 0.02 . 1 . 426 . . 45 LEU HB3 . 17772 1 478 . 1 1 45 45 LEU HG H 1 1.756 0.02 . 1 . 428 . . 45 LEU HG . 17772 1 479 . 1 1 45 45 LEU HD11 H 1 0.613 0.02 . 1 . 430 . . 45 LEU HD11 . 17772 1 480 . 1 1 45 45 LEU HD12 H 1 0.613 0.02 . 1 . 430 . . 45 LEU HD12 . 17772 1 481 . 1 1 45 45 LEU HD13 H 1 0.613 0.02 . 1 . 430 . . 45 LEU HD13 . 17772 1 482 . 1 1 45 45 LEU HD21 H 1 0.645 0.02 . 1 . 432 . . 45 LEU HD21 . 17772 1 483 . 1 1 45 45 LEU HD22 H 1 0.645 0.02 . 1 . 432 . . 45 LEU HD22 . 17772 1 484 . 1 1 45 45 LEU HD23 H 1 0.645 0.02 . 1 . 432 . . 45 LEU HD23 . 17772 1 485 . 1 1 45 45 LEU CA C 13 57.922 0.40 . 1 . 422 . . 45 LEU CA . 17772 1 486 . 1 1 45 45 LEU CB C 13 42.759 0.40 . 1 . 424 . . 45 LEU CB . 17772 1 487 . 1 1 45 45 LEU CG C 13 26.367 0.40 . 1 . 427 . . 45 LEU CG . 17772 1 488 . 1 1 45 45 LEU CD1 C 13 25.392 0.40 . 1 . 429 . . 45 LEU CD1 . 17772 1 489 . 1 1 45 45 LEU CD2 C 13 20.757 0.40 . 1 . 431 . . 45 LEU CD2 . 17772 1 490 . 1 1 45 45 LEU N N 15 117.577 0.40 . 1 . 420 . . 45 LEU N . 17772 1 491 . 1 1 46 46 LEU H H 1 7.932 0.02 . 1 . 434 . . 46 LEU H . 17772 1 492 . 1 1 46 46 LEU HA H 1 4.189 0.02 . 1 . 436 . . 46 LEU HA . 17772 1 493 . 1 1 46 46 LEU HB2 H 1 1.613 0.02 . 1 . 438 . . 46 LEU HB2 . 17772 1 494 . 1 1 46 46 LEU HB3 H 1 1.918 0.02 . 1 . 439 . . 46 LEU HB3 . 17772 1 495 . 1 1 46 46 LEU HG H 1 1.767 0.02 . 1 . 441 . . 46 LEU HG . 17772 1 496 . 1 1 46 46 LEU HD11 H 1 0.859 0.02 . 1 . 443 . . 46 LEU HD11 . 17772 1 497 . 1 1 46 46 LEU HD12 H 1 0.859 0.02 . 1 . 443 . . 46 LEU HD12 . 17772 1 498 . 1 1 46 46 LEU HD13 H 1 0.859 0.02 . 1 . 443 . . 46 LEU HD13 . 17772 1 499 . 1 1 46 46 LEU HD21 H 1 0.861 0.02 . 1 . 445 . . 46 LEU HD21 . 17772 1 500 . 1 1 46 46 LEU HD22 H 1 0.861 0.02 . 1 . 445 . . 46 LEU HD22 . 17772 1 501 . 1 1 46 46 LEU HD23 H 1 0.861 0.02 . 1 . 445 . . 46 LEU HD23 . 17772 1 502 . 1 1 46 46 LEU CA C 13 57.186 0.40 . 1 . 435 . . 46 LEU CA . 17772 1 503 . 1 1 46 46 LEU CB C 13 42.139 0.40 . 1 . 437 . . 46 LEU CB . 17772 1 504 . 1 1 46 46 LEU CG C 13 27.053 0.40 . 1 . 440 . . 46 LEU CG . 17772 1 505 . 1 1 46 46 LEU CD1 C 13 25.277 0.40 . 1 . 442 . . 46 LEU CD1 . 17772 1 506 . 1 1 46 46 LEU CD2 C 13 23.134 0.40 . 1 . 444 . . 46 LEU CD2 . 17772 1 507 . 1 1 46 46 LEU N N 15 118.062 0.40 . 1 . 433 . . 46 LEU N . 17772 1 508 . 1 1 47 47 GLU H H 1 7.912 0.02 . 1 . 447 . . 47 GLU H . 17772 1 509 . 1 1 47 47 GLU HA H 1 4.175 0.02 . 1 . 449 . . 47 GLU HA . 17772 1 510 . 1 1 47 47 GLU HB2 H 1 2.080 0.02 . 1 . 451 . . 47 GLU HB2 . 17772 1 511 . 1 1 47 47 GLU HB3 H 1 2.134 0.02 . 1 . 452 . . 47 GLU HB3 . 17772 1 512 . 1 1 47 47 GLU HG2 H 1 2.346 0.02 . 1 . 454 . . 47 GLU HG2 . 17772 1 513 . 1 1 47 47 GLU HG3 H 1 2.558 0.02 . 1 . 455 . . 47 GLU HG3 . 17772 1 514 . 1 1 47 47 GLU CA C 13 57.628 0.40 . 1 . 448 . . 47 GLU CA . 17772 1 515 . 1 1 47 47 GLU CB C 13 29.770 0.40 . 1 . 450 . . 47 GLU CB . 17772 1 516 . 1 1 47 47 GLU CG C 13 36.587 0.40 . 1 . 453 . . 47 GLU CG . 17772 1 517 . 1 1 47 47 GLU N N 15 118.444 0.40 . 1 . 446 . . 47 GLU N . 17772 1 518 . 1 1 48 48 SER H H 1 7.413 0.02 . 1 . 457 . . 48 SER H . 17772 1 519 . 1 1 48 48 SER HA H 1 4.723 0.02 . 1 . 459 . . 48 SER HA . 17772 1 520 . 1 1 48 48 SER HB2 H 1 4.049 0.02 . 1 . 461 . . 48 SER HB2 . 17772 1 521 . 1 1 48 48 SER HB3 H 1 4.185 0.02 . 1 . 462 . . 48 SER HB3 . 17772 1 522 . 1 1 48 48 SER CA C 13 56.588 0.40 . 1 . 458 . . 48 SER CA . 17772 1 523 . 1 1 48 48 SER CB C 13 64.915 0.40 . 1 . 460 . . 48 SER CB . 17772 1 524 . 1 1 48 48 SER N N 15 113.592 0.40 . 1 . 456 . . 48 SER N . 17772 1 525 . 1 1 49 49 ASP H H 1 8.903 0.02 . 1 . 464 . . 49 ASP H . 17772 1 526 . 1 1 49 49 ASP HA H 1 4.265 0.02 . 1 . 466 . . 49 ASP HA . 17772 1 527 . 1 1 49 49 ASP HB2 H 1 2.631 0.02 . 1 . 468 . . 49 ASP HB2 . 17772 1 528 . 1 1 49 49 ASP HB3 H 1 2.631 0.02 . 1 . 469 . . 49 ASP HB3 . 17772 1 529 . 1 1 49 49 ASP CA C 13 56.881 0.40 . 1 . 465 . . 49 ASP CA . 17772 1 530 . 1 1 49 49 ASP CB C 13 40.507 0.40 . 1 . 467 . . 49 ASP CB . 17772 1 531 . 1 1 49 49 ASP N N 15 126.634 0.40 . 1 . 463 . . 49 ASP N . 17772 1 532 . 1 1 50 50 GLU H H 1 7.903 0.02 . 1 . 471 . . 50 GLU H . 17772 1 533 . 1 1 50 50 GLU HA H 1 4.220 0.02 . 1 . 473 . . 50 GLU HA . 17772 1 534 . 1 1 50 50 GLU HB2 H 1 1.716 0.02 . 1 . 475 . . 50 GLU HB2 . 17772 1 535 . 1 1 50 50 GLU HB3 H 1 2.138 0.02 . 1 . 476 . . 50 GLU HB3 . 17772 1 536 . 1 1 50 50 GLU HG2 H 1 2.145 0.02 . 1 . 478 . . 50 GLU HG2 . 17772 1 537 . 1 1 50 50 GLU HG3 H 1 2.145 0.02 . 1 . 479 . . 50 GLU HG3 . 17772 1 538 . 1 1 50 50 GLU CA C 13 56.214 0.40 . 1 . 472 . . 50 GLU CA . 17772 1 539 . 1 1 50 50 GLU CB C 13 29.581 0.40 . 1 . 474 . . 50 GLU CB . 17772 1 540 . 1 1 50 50 GLU CG C 13 36.761 0.40 . 1 . 477 . . 50 GLU CG . 17772 1 541 . 1 1 50 50 GLU N N 15 116.471 0.40 . 1 . 470 . . 50 GLU N . 17772 1 542 . 1 1 51 51 HIS H H 1 7.830 0.02 . 1 . 481 . . 51 HIS H . 17772 1 543 . 1 1 51 51 HIS HA H 1 4.695 0.02 . 1 . 483 . . 51 HIS HA . 17772 1 544 . 1 1 51 51 HIS HB2 H 1 3.226 0.02 . 1 . 485 . . 51 HIS HB2 . 17772 1 545 . 1 1 51 51 HIS HB3 H 1 3.756 0.02 . 1 . 486 . . 51 HIS HB3 . 17772 1 546 . 1 1 51 51 HIS HD2 H 1 7.700 0.02 . 1 . 489 . . 51 HIS HD2 . 17772 1 547 . 1 1 51 51 HIS HE1 H 1 8.652 0.02 . 1 . 490 . . 51 HIS HE1 . 17772 1 548 . 1 1 51 51 HIS CA C 13 55.119 0.40 . 1 . 482 . . 51 HIS CA . 17772 1 549 . 1 1 51 51 HIS CB C 13 26.492 0.40 . 1 . 484 . . 51 HIS CB . 17772 1 550 . 1 1 51 51 HIS CD2 C 13 119.264 0.40 . 1 . 487 . . 51 HIS CD2 . 17772 1 551 . 1 1 51 51 HIS CE1 C 13 136.153 0.40 . 1 . 488 . . 51 HIS CE1 . 17772 1 552 . 1 1 51 51 HIS N N 15 116.375 0.40 . 1 . 480 . . 51 HIS N . 17772 1 553 . 1 1 52 52 THR H H 1 7.961 0.02 . 1 . 492 . . 52 THR H . 17772 1 554 . 1 1 52 52 THR HA H 1 4.805 0.02 . 1 . 494 . . 52 THR HA . 17772 1 555 . 1 1 52 52 THR HB H 1 3.620 0.02 . 1 . 496 . . 52 THR HB . 17772 1 556 . 1 1 52 52 THR HG21 H 1 1.038 0.02 . 1 . 498 . . 52 THR HG21 . 17772 1 557 . 1 1 52 52 THR HG22 H 1 1.038 0.02 . 1 . 498 . . 52 THR HG22 . 17772 1 558 . 1 1 52 52 THR HG23 H 1 1.038 0.02 . 1 . 498 . . 52 THR HG23 . 17772 1 559 . 1 1 52 52 THR CA C 13 61.898 0.40 . 1 . 493 . . 52 THR CA . 17772 1 560 . 1 1 52 52 THR CB C 13 70.587 0.40 . 1 . 495 . . 52 THR CB . 17772 1 561 . 1 1 52 52 THR CG2 C 13 21.456 0.40 . 1 . 497 . . 52 THR CG2 . 17772 1 562 . 1 1 52 52 THR N N 15 115.934 0.40 . 1 . 491 . . 52 THR N . 17772 1 563 . 1 1 53 53 CYS H H 1 8.827 0.02 . 1 . 500 . . 53 CYS H . 17772 1 564 . 1 1 53 53 CYS HA H 1 4.228 0.02 . 1 . 502 . . 53 CYS HA . 17772 1 565 . 1 1 53 53 CYS HB2 H 1 3.018 0.02 . 1 . 504 . . 53 CYS HB2 . 17772 1 566 . 1 1 53 53 CYS HB3 H 1 3.413 0.02 . 1 . 505 . . 53 CYS HB3 . 17772 1 567 . 1 1 53 53 CYS CA C 13 57.130 0.40 . 1 . 501 . . 53 CYS CA . 17772 1 568 . 1 1 53 53 CYS CB C 13 32.686 0.40 . 1 . 503 . . 53 CYS CB . 17772 1 569 . 1 1 53 53 CYS N N 15 131.616 0.40 . 1 . 499 . . 53 CYS N . 17772 1 570 . 1 1 54 54 PRO HA H 1 4.398 0.02 . 1 . 508 . . 54 PRO HA . 17772 1 571 . 1 1 54 54 PRO HB2 H 1 1.932 0.02 . 1 . 510 . . 54 PRO HB2 . 17772 1 572 . 1 1 54 54 PRO HB3 H 1 2.239 0.02 . 1 . 511 . . 54 PRO HB3 . 17772 1 573 . 1 1 54 54 PRO HG2 H 1 1.590 0.02 . 1 . 513 . . 54 PRO HG2 . 17772 1 574 . 1 1 54 54 PRO HG3 H 1 1.728 0.02 . 1 . 514 . . 54 PRO HG3 . 17772 1 575 . 1 1 54 54 PRO HD2 H 1 3.464 0.02 . 1 . 515 . . 54 PRO HD2 . 17772 1 576 . 1 1 54 54 PRO HD3 H 1 4.022 0.02 . 1 . 516 . . 54 PRO HD3 . 17772 1 577 . 1 1 54 54 PRO CA C 13 63.867 0.40 . 1 . 507 . . 54 PRO CA . 17772 1 578 . 1 1 54 54 PRO CB C 13 32.002 0.40 . 1 . 509 . . 54 PRO CB . 17772 1 579 . 1 1 54 54 PRO CG C 13 26.550 0.40 . 1 . 512 . . 54 PRO CG . 17772 1 580 . 1 1 54 54 PRO CD C 13 50.724 0.40 . 1 . 506 . . 54 PRO CD . 17772 1 581 . 1 1 55 55 THR H H 1 9.338 0.02 . 1 . 518 . . 55 THR H . 17772 1 582 . 1 1 55 55 THR HA H 1 4.264 0.02 . 1 . 520 . . 55 THR HA . 17772 1 583 . 1 1 55 55 THR HB H 1 4.008 0.02 . 1 . 522 . . 55 THR HB . 17772 1 584 . 1 1 55 55 THR HG21 H 1 1.183 0.02 . 1 . 524 . . 55 THR HG21 . 17772 1 585 . 1 1 55 55 THR HG22 H 1 1.183 0.02 . 1 . 524 . . 55 THR HG22 . 17772 1 586 . 1 1 55 55 THR HG23 H 1 1.183 0.02 . 1 . 524 . . 55 THR HG23 . 17772 1 587 . 1 1 55 55 THR CA C 13 65.207 0.40 . 1 . 519 . . 55 THR CA . 17772 1 588 . 1 1 55 55 THR CB C 13 68.864 0.40 . 1 . 521 . . 55 THR CB . 17772 1 589 . 1 1 55 55 THR CG2 C 13 22.775 0.40 . 1 . 523 . . 55 THR CG2 . 17772 1 590 . 1 1 55 55 THR N N 15 121.430 0.40 . 1 . 517 . . 55 THR N . 17772 1 591 . 1 1 56 56 CYS H H 1 9.362 0.02 . 1 . 526 . . 56 CYS H . 17772 1 592 . 1 1 56 56 CYS HA H 1 4.754 0.02 . 1 . 528 . . 56 CYS HA . 17772 1 593 . 1 1 56 56 CYS HB2 H 1 2.379 0.02 . 1 . 530 . . 56 CYS HB2 . 17772 1 594 . 1 1 56 56 CYS HB3 H 1 3.173 0.02 . 1 . 531 . . 56 CYS HB3 . 17772 1 595 . 1 1 56 56 CYS CA C 13 58.987 0.40 . 1 . 527 . . 56 CYS CA . 17772 1 596 . 1 1 56 56 CYS CB C 13 31.056 0.40 . 1 . 529 . . 56 CYS CB . 17772 1 597 . 1 1 56 56 CYS N N 15 124.692 0.40 . 1 . 525 . . 56 CYS N . 17772 1 598 . 1 1 57 57 HIS H H 1 7.295 0.02 . 1 . 533 . . 57 HIS H . 17772 1 599 . 1 1 57 57 HIS HA H 1 4.526 0.02 . 1 . 535 . . 57 HIS HA . 17772 1 600 . 1 1 57 57 HIS HB2 H 1 3.385 0.02 . 1 . 537 . . 57 HIS HB2 . 17772 1 601 . 1 1 57 57 HIS HB3 H 1 3.526 0.02 . 1 . 538 . . 57 HIS HB3 . 17772 1 602 . 1 1 57 57 HIS HD2 H 1 7.133 0.02 . 1 . 541 . . 57 HIS HD2 . 17772 1 603 . 1 1 57 57 HIS HE1 H 1 8.465 0.02 . 1 . 542 . . 57 HIS HE1 . 17772 1 604 . 1 1 57 57 HIS CA C 13 56.676 0.40 . 1 . 534 . . 57 HIS CA . 17772 1 605 . 1 1 57 57 HIS CB C 13 25.911 0.40 . 1 . 536 . . 57 HIS CB . 17772 1 606 . 1 1 57 57 HIS CD2 C 13 119.689 0.40 . 1 . 539 . . 57 HIS CD2 . 17772 1 607 . 1 1 57 57 HIS CE1 C 13 136.139 0.40 . 1 . 540 . . 57 HIS CE1 . 17772 1 608 . 1 1 57 57 HIS N N 15 115.438 0.40 . 1 . 532 . . 57 HIS N . 17772 1 609 . 1 1 58 58 GLN H H 1 8.590 0.02 . 1 . 544 . . 58 GLN H . 17772 1 610 . 1 1 58 58 GLN HA H 1 4.163 0.02 . 1 . 546 . . 58 GLN HA . 17772 1 611 . 1 1 58 58 GLN HB2 H 1 1.848 0.02 . 1 . 548 . . 58 GLN HB2 . 17772 1 612 . 1 1 58 58 GLN HB3 H 1 2.291 0.02 . 1 . 549 . . 58 GLN HB3 . 17772 1 613 . 1 1 58 58 GLN HG2 H 1 2.505 0.02 . 1 . 551 . . 58 GLN HG2 . 17772 1 614 . 1 1 58 58 GLN HG3 H 1 2.447 0.02 . 1 . 552 . . 58 GLN HG3 . 17772 1 615 . 1 1 58 58 GLN HE21 H 1 7.865 0.02 . 1 . 554 . . 58 GLN HE21 . 17772 1 616 . 1 1 58 58 GLN HE22 H 1 6.910 0.02 . 1 . 555 . . 58 GLN HE22 . 17772 1 617 . 1 1 58 58 GLN CA C 13 57.757 0.40 . 1 . 545 . . 58 GLN CA . 17772 1 618 . 1 1 58 58 GLN CB C 13 29.682 0.40 . 1 . 547 . . 58 GLN CB . 17772 1 619 . 1 1 58 58 GLN CG C 13 34.233 0.40 . 1 . 550 . . 58 GLN CG . 17772 1 620 . 1 1 58 58 GLN N N 15 124.369 0.40 . 1 . 543 . . 58 GLN N . 17772 1 621 . 1 1 58 58 GLN NE2 N 15 114.974 0.40 . 1 . 553 . . 58 GLN NE2 . 17772 1 622 . 1 1 59 59 ASN H H 1 8.300 0.02 . 1 . 557 . . 59 ASN H . 17772 1 623 . 1 1 59 59 ASN HA H 1 4.885 0.02 . 1 . 559 . . 59 ASN HA . 17772 1 624 . 1 1 59 59 ASN HB2 H 1 2.760 0.02 . 1 . 561 . . 59 ASN HB2 . 17772 1 625 . 1 1 59 59 ASN HB3 H 1 2.866 0.02 . 1 . 562 . . 59 ASN HB3 . 17772 1 626 . 1 1 59 59 ASN HD21 H 1 7.548 0.02 . 1 . 564 . . 59 ASN HD21 . 17772 1 627 . 1 1 59 59 ASN HD22 H 1 6.778 0.02 . 1 . 565 . . 59 ASN HD22 . 17772 1 628 . 1 1 59 59 ASN CA C 13 52.586 0.40 . 1 . 558 . . 59 ASN CA . 17772 1 629 . 1 1 59 59 ASN CB C 13 40.503 0.40 . 1 . 560 . . 59 ASN CB . 17772 1 630 . 1 1 59 59 ASN N N 15 122.731 0.40 . 1 . 556 . . 59 ASN N . 17772 1 631 . 1 1 59 59 ASN ND2 N 15 113.067 0.40 . 1 . 563 . . 59 ASN ND2 . 17772 1 632 . 1 1 60 60 ASP H H 1 8.881 0.02 . 1 . 567 . . 60 ASP H . 17772 1 633 . 1 1 60 60 ASP HA H 1 4.256 0.02 . 1 . 569 . . 60 ASP HA . 17772 1 634 . 1 1 60 60 ASP HB2 H 1 2.619 0.02 . 1 . 571 . . 60 ASP HB2 . 17772 1 635 . 1 1 60 60 ASP HB3 H 1 3.051 0.02 . 1 . 572 . . 60 ASP HB3 . 17772 1 636 . 1 1 60 60 ASP CA C 13 55.434 0.40 . 1 . 568 . . 60 ASP CA . 17772 1 637 . 1 1 60 60 ASP CB C 13 39.391 0.40 . 1 . 570 . . 60 ASP CB . 17772 1 638 . 1 1 60 60 ASP N N 15 116.350 0.40 . 1 . 566 . . 60 ASP N . 17772 1 639 . 1 1 61 61 VAL H H 1 9.029 0.02 . 1 . 574 . . 61 VAL H . 17772 1 640 . 1 1 61 61 VAL HA H 1 3.859 0.02 . 1 . 576 . . 61 VAL HA . 17772 1 641 . 1 1 61 61 VAL HB H 1 2.098 0.02 . 1 . 578 . . 61 VAL HB . 17772 1 642 . 1 1 61 61 VAL HG11 H 1 0.837 0.02 . 1 . 580 . . 61 VAL HG11 . 17772 1 643 . 1 1 61 61 VAL HG12 H 1 0.837 0.02 . 1 . 580 . . 61 VAL HG12 . 17772 1 644 . 1 1 61 61 VAL HG13 H 1 0.837 0.02 . 1 . 580 . . 61 VAL HG13 . 17772 1 645 . 1 1 61 61 VAL HG21 H 1 0.965 0.02 . 1 . 582 . . 61 VAL HG21 . 17772 1 646 . 1 1 61 61 VAL HG22 H 1 0.965 0.02 . 1 . 582 . . 61 VAL HG22 . 17772 1 647 . 1 1 61 61 VAL HG23 H 1 0.965 0.02 . 1 . 582 . . 61 VAL HG23 . 17772 1 648 . 1 1 61 61 VAL CA C 13 63.066 0.40 . 1 . 575 . . 61 VAL CA . 17772 1 649 . 1 1 61 61 VAL CB C 13 31.133 0.40 . 1 . 577 . . 61 VAL CB . 17772 1 650 . 1 1 61 61 VAL CG1 C 13 20.863 0.40 . 1 . 579 . . 61 VAL CG1 . 17772 1 651 . 1 1 61 61 VAL CG2 C 13 20.402 0.40 . 1 . 581 . . 61 VAL CG2 . 17772 1 652 . 1 1 61 61 VAL N N 15 123.835 0.40 . 1 . 573 . . 61 VAL N . 17772 1 653 . 1 1 62 62 SER H H 1 8.124 0.02 . 1 . 584 . . 62 SER H . 17772 1 654 . 1 1 62 62 SER HA H 1 4.495 0.02 . 1 . 586 . . 62 SER HA . 17772 1 655 . 1 1 62 62 SER HB2 H 1 3.770 0.02 . 1 . 588 . . 62 SER HB2 . 17772 1 656 . 1 1 62 62 SER HB3 H 1 4.018 0.02 . 1 . 589 . . 62 SER HB3 . 17772 1 657 . 1 1 62 62 SER CA C 13 55.243 0.40 . 1 . 585 . . 62 SER CA . 17772 1 658 . 1 1 62 62 SER CB C 13 64.357 0.40 . 1 . 587 . . 62 SER CB . 17772 1 659 . 1 1 62 62 SER N N 15 119.772 0.40 . 1 . 583 . . 62 SER N . 17772 1 660 . 1 1 63 63 PRO HA H 1 4.094 0.02 . 1 . 592 . . 63 PRO HA . 17772 1 661 . 1 1 63 63 PRO HB2 H 1 2.048 0.02 . 1 . 594 . . 63 PRO HB2 . 17772 1 662 . 1 1 63 63 PRO HB3 H 1 2.122 0.02 . 1 . 595 . . 63 PRO HB3 . 17772 1 663 . 1 1 63 63 PRO HG2 H 1 1.721 0.02 . 1 . 597 . . 63 PRO HG2 . 17772 1 664 . 1 1 63 63 PRO HG3 H 1 1.986 0.02 . 1 . 598 . . 63 PRO HG3 . 17772 1 665 . 1 1 63 63 PRO HD2 H 1 3.500 0.02 . 1 . 599 . . 63 PRO HD2 . 17772 1 666 . 1 1 63 63 PRO HD3 H 1 3.760 0.02 . 1 . 600 . . 63 PRO HD3 . 17772 1 667 . 1 1 63 63 PRO CA C 13 64.264 0.40 . 1 . 591 . . 63 PRO CA . 17772 1 668 . 1 1 63 63 PRO CB C 13 31.928 0.40 . 1 . 593 . . 63 PRO CB . 17772 1 669 . 1 1 63 63 PRO CG C 13 27.423 0.40 . 1 . 596 . . 63 PRO CG . 17772 1 670 . 1 1 63 63 PRO CD C 13 49.975 0.40 . 1 . 590 . . 63 PRO CD . 17772 1 671 . 1 1 64 64 ASP H H 1 7.820 0.02 . 1 . 602 . . 64 ASP H . 17772 1 672 . 1 1 64 64 ASP HA H 1 4.528 0.02 . 1 . 604 . . 64 ASP HA . 17772 1 673 . 1 1 64 64 ASP HB2 H 1 2.514 0.02 . 1 . 606 . . 64 ASP HB2 . 17772 1 674 . 1 1 64 64 ASP HB3 H 1 2.762 0.02 . 1 . 607 . . 64 ASP HB3 . 17772 1 675 . 1 1 64 64 ASP CA C 13 55.518 0.40 . 1 . 603 . . 64 ASP CA . 17772 1 676 . 1 1 64 64 ASP CB C 13 40.373 0.40 . 1 . 605 . . 64 ASP CB . 17772 1 677 . 1 1 64 64 ASP N N 15 115.409 0.40 . 1 . 601 . . 64 ASP N . 17772 1 678 . 1 1 65 65 ALA H H 1 8.050 0.02 . 1 . 609 . . 65 ALA H . 17772 1 679 . 1 1 65 65 ALA HA H 1 4.410 0.02 . 1 . 611 . . 65 ALA HA . 17772 1 680 . 1 1 65 65 ALA HB1 H 1 1.558 0.02 . 1 . 613 . . 65 ALA HB1 . 17772 1 681 . 1 1 65 65 ALA HB2 H 1 1.558 0.02 . 1 . 613 . . 65 ALA HB2 . 17772 1 682 . 1 1 65 65 ALA HB3 H 1 1.558 0.02 . 1 . 613 . . 65 ALA HB3 . 17772 1 683 . 1 1 65 65 ALA CA C 13 51.719 0.40 . 1 . 610 . . 65 ALA CA . 17772 1 684 . 1 1 65 65 ALA CB C 13 19.766 0.40 . 1 . 612 . . 65 ALA CB . 17772 1 685 . 1 1 65 65 ALA N N 15 122.285 0.40 . 1 . 608 . . 65 ALA N . 17772 1 686 . 1 1 66 66 LEU H H 1 6.877 0.02 . 1 . 615 . . 66 LEU H . 17772 1 687 . 1 1 66 66 LEU HA H 1 4.379 0.02 . 1 . 617 . . 66 LEU HA . 17772 1 688 . 1 1 66 66 LEU HB2 H 1 1.042 0.02 . 1 . 619 . . 66 LEU HB2 . 17772 1 689 . 1 1 66 66 LEU HB3 H 1 1.930 0.02 . 1 . 620 . . 66 LEU HB3 . 17772 1 690 . 1 1 66 66 LEU HG H 1 1.847 0.02 . 1 . 622 . . 66 LEU HG . 17772 1 691 . 1 1 66 66 LEU HD11 H 1 0.944 0.02 . 1 . 624 . . 66 LEU HD11 . 17772 1 692 . 1 1 66 66 LEU HD12 H 1 0.944 0.02 . 1 . 624 . . 66 LEU HD12 . 17772 1 693 . 1 1 66 66 LEU HD13 H 1 0.944 0.02 . 1 . 624 . . 66 LEU HD13 . 17772 1 694 . 1 1 66 66 LEU HD21 H 1 0.851 0.02 . 1 . 626 . . 66 LEU HD21 . 17772 1 695 . 1 1 66 66 LEU HD22 H 1 0.851 0.02 . 1 . 626 . . 66 LEU HD22 . 17772 1 696 . 1 1 66 66 LEU HD23 H 1 0.851 0.02 . 1 . 626 . . 66 LEU HD23 . 17772 1 697 . 1 1 66 66 LEU CA C 13 55.559 0.40 . 1 . 616 . . 66 LEU CA . 17772 1 698 . 1 1 66 66 LEU CB C 13 42.130 0.40 . 1 . 618 . . 66 LEU CB . 17772 1 699 . 1 1 66 66 LEU CG C 13 27.111 0.40 . 1 . 621 . . 66 LEU CG . 17772 1 700 . 1 1 66 66 LEU CD1 C 13 26.554 0.40 . 1 . 623 . . 66 LEU CD1 . 17772 1 701 . 1 1 66 66 LEU CD2 C 13 22.870 0.40 . 1 . 625 . . 66 LEU CD2 . 17772 1 702 . 1 1 66 66 LEU N N 15 117.570 0.40 . 1 . 614 . . 66 LEU N . 17772 1 703 . 1 1 67 67 ILE H H 1 8.108 0.02 . 1 . 628 . . 67 ILE H . 17772 1 704 . 1 1 67 67 ILE HA H 1 4.437 0.02 . 1 . 630 . . 67 ILE HA . 17772 1 705 . 1 1 67 67 ILE HB H 1 1.684 0.02 . 1 . 632 . . 67 ILE HB . 17772 1 706 . 1 1 67 67 ILE HG12 H 1 1.169 0.02 . 1 . 636 . . 67 ILE HG12 . 17772 1 707 . 1 1 67 67 ILE HG13 H 1 1.669 0.02 . 1 . 637 . . 67 ILE HG13 . 17772 1 708 . 1 1 67 67 ILE HG21 H 1 0.970 0.02 . 1 . 634 . . 67 ILE HG21 . 17772 1 709 . 1 1 67 67 ILE HG22 H 1 0.970 0.02 . 1 . 634 . . 67 ILE HG22 . 17772 1 710 . 1 1 67 67 ILE HG23 H 1 0.970 0.02 . 1 . 634 . . 67 ILE HG23 . 17772 1 711 . 1 1 67 67 ILE HD11 H 1 0.856 0.02 . 1 . 639 . . 67 ILE HD11 . 17772 1 712 . 1 1 67 67 ILE HD12 H 1 0.856 0.02 . 1 . 639 . . 67 ILE HD12 . 17772 1 713 . 1 1 67 67 ILE HD13 H 1 0.856 0.02 . 1 . 639 . . 67 ILE HD13 . 17772 1 714 . 1 1 67 67 ILE CA C 13 59.129 0.40 . 1 . 629 . . 67 ILE CA . 17772 1 715 . 1 1 67 67 ILE CB C 13 41.587 0.40 . 1 . 631 . . 67 ILE CB . 17772 1 716 . 1 1 67 67 ILE CG1 C 13 27.117 0.40 . 1 . 635 . . 67 ILE CG1 . 17772 1 717 . 1 1 67 67 ILE CG2 C 13 17.795 0.40 . 1 . 633 . . 67 ILE CG2 . 17772 1 718 . 1 1 67 67 ILE CD1 C 13 14.028 0.40 . 1 . 638 . . 67 ILE CD1 . 17772 1 719 . 1 1 67 67 ILE N N 15 122.877 0.40 . 1 . 627 . . 67 ILE N . 17772 1 720 . 1 1 68 68 ALA H H 1 8.870 0.02 . 1 . 641 . . 68 ALA H . 17772 1 721 . 1 1 68 68 ALA HA H 1 4.130 0.02 . 1 . 643 . . 68 ALA HA . 17772 1 722 . 1 1 68 68 ALA HB1 H 1 1.239 0.02 . 1 . 645 . . 68 ALA HB1 . 17772 1 723 . 1 1 68 68 ALA HB2 H 1 1.239 0.02 . 1 . 645 . . 68 ALA HB2 . 17772 1 724 . 1 1 68 68 ALA HB3 H 1 1.239 0.02 . 1 . 645 . . 68 ALA HB3 . 17772 1 725 . 1 1 68 68 ALA CA C 13 53.983 0.40 . 1 . 642 . . 68 ALA CA . 17772 1 726 . 1 1 68 68 ALA CB C 13 18.400 0.40 . 1 . 644 . . 68 ALA CB . 17772 1 727 . 1 1 68 68 ALA N N 15 129.158 0.40 . 1 . 640 . . 68 ALA N . 17772 1 728 . 1 1 69 69 ASN H H 1 8.044 0.02 . 1 . 647 . . 69 ASN H . 17772 1 729 . 1 1 69 69 ASN HA H 1 4.818 0.02 . 1 . 649 . . 69 ASN HA . 17772 1 730 . 1 1 69 69 ASN HB2 H 1 2.279 0.02 . 1 . 651 . . 69 ASN HB2 . 17772 1 731 . 1 1 69 69 ASN HB3 H 1 3.067 0.02 . 1 . 652 . . 69 ASN HB3 . 17772 1 732 . 1 1 69 69 ASN HD21 H 1 7.559 0.02 . 1 . 654 . . 69 ASN HD21 . 17772 1 733 . 1 1 69 69 ASN HD22 H 1 7.039 0.02 . 1 . 655 . . 69 ASN HD22 . 17772 1 734 . 1 1 69 69 ASN CA C 13 50.329 0.40 . 1 . 648 . . 69 ASN CA . 17772 1 735 . 1 1 69 69 ASN CB C 13 36.926 0.40 . 1 . 650 . . 69 ASN CB . 17772 1 736 . 1 1 69 69 ASN N N 15 120.109 0.40 . 1 . 646 . . 69 ASN N . 17772 1 737 . 1 1 69 69 ASN ND2 N 15 115.009 0.40 . 1 . 653 . . 69 ASN ND2 . 17772 1 738 . 1 1 70 70 LYS H H 1 8.200 0.02 . 1 . 657 . . 70 LYS H . 17772 1 739 . 1 1 70 70 LYS HA H 1 3.774 0.02 . 1 . 659 . . 70 LYS HA . 17772 1 740 . 1 1 70 70 LYS HB2 H 1 1.858 0.02 . 1 . 661 . . 70 LYS HB2 . 17772 1 741 . 1 1 70 70 LYS HB3 H 1 1.858 0.02 . 1 . 662 . . 70 LYS HB3 . 17772 1 742 . 1 1 70 70 LYS HG2 H 1 1.309 0.02 . 1 . 664 . . 70 LYS HG2 . 17772 1 743 . 1 1 70 70 LYS HG3 H 1 1.540 0.02 . 1 . 665 . . 70 LYS HG3 . 17772 1 744 . 1 1 70 70 LYS HD2 H 1 1.708 0.02 . 1 . 667 . . 70 LYS HD2 . 17772 1 745 . 1 1 70 70 LYS HD3 H 1 1.624 0.02 . 1 . 668 . . 70 LYS HD3 . 17772 1 746 . 1 1 70 70 LYS HE2 H 1 2.938 0.02 . 1 . 670 . . 70 LYS HE2 . 17772 1 747 . 1 1 70 70 LYS HE3 H 1 2.998 0.02 . 1 . 671 . . 70 LYS HE3 . 17772 1 748 . 1 1 70 70 LYS CA C 13 61.351 0.40 . 1 . 658 . . 70 LYS CA . 17772 1 749 . 1 1 70 70 LYS CB C 13 32.382 0.40 . 1 . 660 . . 70 LYS CB . 17772 1 750 . 1 1 70 70 LYS CG C 13 25.687 0.40 . 1 . 663 . . 70 LYS CG . 17772 1 751 . 1 1 70 70 LYS CD C 13 29.084 0.40 . 1 . 666 . . 70 LYS CD . 17772 1 752 . 1 1 70 70 LYS CE C 13 42.070 0.40 . 1 . 669 . . 70 LYS CE . 17772 1 753 . 1 1 70 70 LYS N N 15 123.726 0.40 . 1 . 656 . . 70 LYS N . 17772 1 754 . 1 1 71 71 PHE HA H 1 4.327 0.02 . 1 . 673 . . 71 PHE HA . 17772 1 755 . 1 1 71 71 PHE HB2 H 1 3.092 0.02 . 1 . 675 . . 71 PHE HB2 . 17772 1 756 . 1 1 71 71 PHE HB3 H 1 3.223 0.02 . 1 . 676 . . 71 PHE HB3 . 17772 1 757 . 1 1 71 71 PHE HD1 H 1 7.345 0.02 . 3 . 678 . . 71 PHE HD1 . 17772 1 758 . 1 1 71 71 PHE HD2 H 1 7.345 0.02 . 3 . 684 . . 71 PHE HD2 . 17772 1 759 . 1 1 71 71 PHE HE1 H 1 7.370 0.02 . 3 . 680 . . 71 PHE HE1 . 17772 1 760 . 1 1 71 71 PHE HE2 H 1 7.370 0.02 . 3 . 683 . . 71 PHE HE2 . 17772 1 761 . 1 1 71 71 PHE HZ H 1 7.270 0.02 . 1 . 682 . . 71 PHE HZ . 17772 1 762 . 1 1 71 71 PHE CA C 13 61.068 0.40 . 1 . 672 . . 71 PHE CA . 17772 1 763 . 1 1 71 71 PHE CB C 13 38.558 0.40 . 1 . 674 . . 71 PHE CB . 17772 1 764 . 1 1 71 71 PHE CD1 C 13 131.573 0.40 . 3 . 677 . . 71 PHE CD1 . 17772 1 765 . 1 1 71 71 PHE CE1 C 13 131.529 0.40 . 3 . 679 . . 71 PHE CE1 . 17772 1 766 . 1 1 71 71 PHE CZ C 13 130.496 0.40 . 1 . 681 . . 71 PHE CZ . 17772 1 767 . 1 1 72 72 LEU HA H 1 3.834 0.02 . 1 . 686 . . 72 LEU HA . 17772 1 768 . 1 1 72 72 LEU HB2 H 1 1.166 0.02 . 1 . 688 . . 72 LEU HB2 . 17772 1 769 . 1 1 72 72 LEU HB3 H 1 1.311 0.02 . 1 . 689 . . 72 LEU HB3 . 17772 1 770 . 1 1 72 72 LEU HG H 1 1.308 0.02 . 1 . 691 . . 72 LEU HG . 17772 1 771 . 1 1 72 72 LEU HD11 H 1 0.745 0.02 . 1 . 693 . . 72 LEU HD11 . 17772 1 772 . 1 1 72 72 LEU HD12 H 1 0.745 0.02 . 1 . 693 . . 72 LEU HD12 . 17772 1 773 . 1 1 72 72 LEU HD13 H 1 0.745 0.02 . 1 . 693 . . 72 LEU HD13 . 17772 1 774 . 1 1 72 72 LEU HD21 H 1 0.621 0.02 . 1 . 695 . . 72 LEU HD21 . 17772 1 775 . 1 1 72 72 LEU HD22 H 1 0.621 0.02 . 1 . 695 . . 72 LEU HD22 . 17772 1 776 . 1 1 72 72 LEU HD23 H 1 0.621 0.02 . 1 . 695 . . 72 LEU HD23 . 17772 1 777 . 1 1 72 72 LEU CA C 13 56.658 0.40 . 1 . 685 . . 72 LEU CA . 17772 1 778 . 1 1 72 72 LEU CB C 13 42.615 0.40 . 1 . 687 . . 72 LEU CB . 17772 1 779 . 1 1 72 72 LEU CG C 13 27.468 0.40 . 1 . 690 . . 72 LEU CG . 17772 1 780 . 1 1 72 72 LEU CD1 C 13 25.509 0.40 . 1 . 692 . . 72 LEU CD1 . 17772 1 781 . 1 1 72 72 LEU CD2 C 13 24.316 0.40 . 1 . 694 . . 72 LEU CD2 . 17772 1 782 . 1 1 73 73 ARG H H 1 8.358 0.02 . 1 . 697 . . 73 ARG H . 17772 1 783 . 1 1 73 73 ARG HA H 1 4.094 0.02 . 1 . 699 . . 73 ARG HA . 17772 1 784 . 1 1 73 73 ARG HB2 H 1 2.088 0.02 . 1 . 701 . . 73 ARG HB2 . 17772 1 785 . 1 1 73 73 ARG HB3 H 1 2.088 0.02 . 1 . 702 . . 73 ARG HB3 . 17772 1 786 . 1 1 73 73 ARG HG2 H 1 1.766 0.02 . 1 . 704 . . 73 ARG HG2 . 17772 1 787 . 1 1 73 73 ARG HG3 H 1 1.889 0.02 . 1 . 705 . . 73 ARG HG3 . 17772 1 788 . 1 1 73 73 ARG HD2 H 1 2.769 0.02 . 1 . 707 . . 73 ARG HD2 . 17772 1 789 . 1 1 73 73 ARG HD3 H 1 3.449 0.02 . 1 . 708 . . 73 ARG HD3 . 17772 1 790 . 1 1 73 73 ARG HE H 1 7.853 0.02 . 1 . 710 . . 73 ARG HE . 17772 1 791 . 1 1 73 73 ARG CA C 13 59.901 0.40 . 1 . 698 . . 73 ARG CA . 17772 1 792 . 1 1 73 73 ARG CB C 13 31.889 0.40 . 1 . 700 . . 73 ARG CB . 17772 1 793 . 1 1 73 73 ARG CG C 13 29.776 0.40 . 1 . 703 . . 73 ARG CG . 17772 1 794 . 1 1 73 73 ARG CD C 13 44.312 0.40 . 1 . 706 . . 73 ARG CD . 17772 1 795 . 1 1 73 73 ARG N N 15 118.510 0.40 . 1 . 696 . . 73 ARG N . 17772 1 796 . 1 1 73 73 ARG NE N 15 85.703 0.40 . 1 . 709 . . 73 ARG NE . 17772 1 797 . 1 1 74 74 GLN H H 1 7.719 0.02 . 1 . 712 . . 74 GLN H . 17772 1 798 . 1 1 74 74 GLN HA H 1 4.069 0.02 . 1 . 714 . . 74 GLN HA . 17772 1 799 . 1 1 74 74 GLN HB2 H 1 2.131 0.02 . 1 . 716 . . 74 GLN HB2 . 17772 1 800 . 1 1 74 74 GLN HB3 H 1 2.131 0.02 . 1 . 717 . . 74 GLN HB3 . 17772 1 801 . 1 1 74 74 GLN HG2 H 1 2.350 0.02 . 1 . 719 . . 74 GLN HG2 . 17772 1 802 . 1 1 74 74 GLN HG3 H 1 2.382 0.02 . 1 . 720 . . 74 GLN HG3 . 17772 1 803 . 1 1 74 74 GLN HE21 H 1 7.361 0.02 . 1 . 722 . . 74 GLN HE21 . 17772 1 804 . 1 1 74 74 GLN HE22 H 1 6.873 0.02 . 1 . 723 . . 74 GLN HE22 . 17772 1 805 . 1 1 74 74 GLN CA C 13 58.721 0.40 . 1 . 713 . . 74 GLN CA . 17772 1 806 . 1 1 74 74 GLN CB C 13 28.312 0.40 . 1 . 715 . . 74 GLN CB . 17772 1 807 . 1 1 74 74 GLN CG C 13 33.786 0.40 . 1 . 718 . . 74 GLN CG . 17772 1 808 . 1 1 74 74 GLN N N 15 119.268 0.40 . 1 . 711 . . 74 GLN N . 17772 1 809 . 1 1 74 74 GLN NE2 N 15 112.993 0.40 . 1 . 721 . . 74 GLN NE2 . 17772 1 810 . 1 1 75 75 ALA H H 1 7.849 0.02 . 1 . 725 . . 75 ALA H . 17772 1 811 . 1 1 75 75 ALA HA H 1 4.134 0.02 . 1 . 727 . . 75 ALA HA . 17772 1 812 . 1 1 75 75 ALA HB1 H 1 1.404 0.02 . 1 . 729 . . 75 ALA HB1 . 17772 1 813 . 1 1 75 75 ALA HB2 H 1 1.404 0.02 . 1 . 729 . . 75 ALA HB2 . 17772 1 814 . 1 1 75 75 ALA HB3 H 1 1.404 0.02 . 1 . 729 . . 75 ALA HB3 . 17772 1 815 . 1 1 75 75 ALA CA C 13 55.410 0.40 . 1 . 726 . . 75 ALA CA . 17772 1 816 . 1 1 75 75 ALA CB C 13 18.214 0.40 . 1 . 728 . . 75 ALA CB . 17772 1 817 . 1 1 75 75 ALA N N 15 124.102 0.40 . 1 . 724 . . 75 ALA N . 17772 1 818 . 1 1 76 76 VAL H H 1 8.762 0.02 . 1 . 731 . . 76 VAL H . 17772 1 819 . 1 1 76 76 VAL HA H 1 3.592 0.02 . 1 . 733 . . 76 VAL HA . 17772 1 820 . 1 1 76 76 VAL HB H 1 2.281 0.02 . 1 . 735 . . 76 VAL HB . 17772 1 821 . 1 1 76 76 VAL HG11 H 1 1.140 0.02 . 1 . 737 . . 76 VAL HG11 . 17772 1 822 . 1 1 76 76 VAL HG12 H 1 1.140 0.02 . 1 . 737 . . 76 VAL HG12 . 17772 1 823 . 1 1 76 76 VAL HG13 H 1 1.140 0.02 . 1 . 737 . . 76 VAL HG13 . 17772 1 824 . 1 1 76 76 VAL HG21 H 1 1.140 0.02 . 1 . 739 . . 76 VAL HG21 . 17772 1 825 . 1 1 76 76 VAL HG22 H 1 1.140 0.02 . 1 . 739 . . 76 VAL HG22 . 17772 1 826 . 1 1 76 76 VAL HG23 H 1 1.140 0.02 . 1 . 739 . . 76 VAL HG23 . 17772 1 827 . 1 1 76 76 VAL CA C 13 67.581 0.40 . 1 . 732 . . 76 VAL CA . 17772 1 828 . 1 1 76 76 VAL CB C 13 32.022 0.40 . 1 . 734 . . 76 VAL CB . 17772 1 829 . 1 1 76 76 VAL CG1 C 13 23.947 0.40 . 1 . 736 . . 76 VAL CG1 . 17772 1 830 . 1 1 76 76 VAL CG2 C 13 20.817 0.40 . 1 . 738 . . 76 VAL CG2 . 17772 1 831 . 1 1 76 76 VAL N N 15 121.320 0.40 . 1 . 730 . . 76 VAL N . 17772 1 832 . 1 1 77 77 ASN H H 1 8.127 0.02 . 1 . 741 . . 77 ASN H . 17772 1 833 . 1 1 77 77 ASN HA H 1 4.411 0.02 . 1 . 743 . . 77 ASN HA . 17772 1 834 . 1 1 77 77 ASN HB2 H 1 2.891 0.02 . 1 . 745 . . 77 ASN HB2 . 17772 1 835 . 1 1 77 77 ASN HB3 H 1 2.875 0.02 . 1 . 746 . . 77 ASN HB3 . 17772 1 836 . 1 1 77 77 ASN HD21 H 1 7.530 0.02 . 1 . 748 . . 77 ASN HD21 . 17772 1 837 . 1 1 77 77 ASN HD22 H 1 6.915 0.02 . 1 . 749 . . 77 ASN HD22 . 17772 1 838 . 1 1 77 77 ASN CA C 13 56.432 0.40 . 1 . 742 . . 77 ASN CA . 17772 1 839 . 1 1 77 77 ASN CB C 13 37.605 0.40 . 1 . 744 . . 77 ASN CB . 17772 1 840 . 1 1 77 77 ASN N N 15 119.887 0.40 . 1 . 740 . . 77 ASN N . 17772 1 841 . 1 1 77 77 ASN ND2 N 15 112.379 0.40 . 1 . 747 . . 77 ASN ND2 . 17772 1 842 . 1 1 78 78 ASN H H 1 8.730 0.02 . 1 . 751 . . 78 ASN H . 17772 1 843 . 1 1 78 78 ASN HA H 1 4.496 0.02 . 1 . 753 . . 78 ASN HA . 17772 1 844 . 1 1 78 78 ASN HB2 H 1 2.950 0.02 . 1 . 755 . . 78 ASN HB2 . 17772 1 845 . 1 1 78 78 ASN HB3 H 1 2.950 0.02 . 1 . 756 . . 78 ASN HB3 . 17772 1 846 . 1 1 78 78 ASN HD21 H 1 7.799 0.02 . 1 . 758 . . 78 ASN HD21 . 17772 1 847 . 1 1 78 78 ASN HD22 H 1 7.025 0.02 . 1 . 759 . . 78 ASN HD22 . 17772 1 848 . 1 1 78 78 ASN CA C 13 55.927 0.40 . 1 . 752 . . 78 ASN CA . 17772 1 849 . 1 1 78 78 ASN CB C 13 37.551 0.40 . 1 . 754 . . 78 ASN CB . 17772 1 850 . 1 1 78 78 ASN N N 15 119.864 0.40 . 1 . 750 . . 78 ASN N . 17772 1 851 . 1 1 78 78 ASN ND2 N 15 112.667 0.40 . 1 . 757 . . 78 ASN ND2 . 17772 1 852 . 1 1 79 79 PHE H H 1 8.294 0.02 . 1 . 761 . . 79 PHE H . 17772 1 853 . 1 1 79 79 PHE HA H 1 4.267 0.02 . 1 . 763 . . 79 PHE HA . 17772 1 854 . 1 1 79 79 PHE HB2 H 1 3.189 0.02 . 1 . 765 . . 79 PHE HB2 . 17772 1 855 . 1 1 79 79 PHE HB3 H 1 3.189 0.02 . 1 . 766 . . 79 PHE HB3 . 17772 1 856 . 1 1 79 79 PHE HD1 H 1 7.068 0.02 . 3 . 768 . . 79 PHE HD1 . 17772 1 857 . 1 1 79 79 PHE HD2 H 1 7.068 0.02 . 3 . 774 . . 79 PHE HD2 . 17772 1 858 . 1 1 79 79 PHE HE1 H 1 7.177 0.02 . 3 . 770 . . 79 PHE HE1 . 17772 1 859 . 1 1 79 79 PHE HE2 H 1 7.177 0.02 . 3 . 773 . . 79 PHE HE2 . 17772 1 860 . 1 1 79 79 PHE HZ H 1 7.251 0.02 . 1 . 772 . . 79 PHE HZ . 17772 1 861 . 1 1 79 79 PHE CA C 13 62.034 0.40 . 1 . 762 . . 79 PHE CA . 17772 1 862 . 1 1 79 79 PHE CB C 13 39.774 0.40 . 1 . 764 . . 79 PHE CB . 17772 1 863 . 1 1 79 79 PHE CD1 C 13 131.700 0.40 . 3 . 767 . . 79 PHE CD1 . 17772 1 864 . 1 1 79 79 PHE CE1 C 13 131.693 0.40 . 3 . 769 . . 79 PHE CE1 . 17772 1 865 . 1 1 79 79 PHE CZ C 13 130.528 0.40 . 1 . 771 . . 79 PHE CZ . 17772 1 866 . 1 1 79 79 PHE N N 15 122.588 0.40 . 1 . 760 . . 79 PHE N . 17772 1 867 . 1 1 80 80 LYS H H 1 8.795 0.02 . 1 . 776 . . 80 LYS H . 17772 1 868 . 1 1 80 80 LYS HA H 1 3.795 0.02 . 1 . 778 . . 80 LYS HA . 17772 1 869 . 1 1 80 80 LYS HB2 H 1 1.994 0.02 . 1 . 780 . . 80 LYS HB2 . 17772 1 870 . 1 1 80 80 LYS HG2 H 1 1.480 0.02 . 1 . 782 . . 80 LYS HG2 . 17772 1 871 . 1 1 80 80 LYS HG3 H 1 1.993 0.02 . 1 . 783 . . 80 LYS HG3 . 17772 1 872 . 1 1 80 80 LYS HD2 H 1 1.749 0.02 . 1 . 785 . . 80 LYS HD2 . 17772 1 873 . 1 1 80 80 LYS HD3 H 1 1.811 0.02 . 1 . 786 . . 80 LYS HD3 . 17772 1 874 . 1 1 80 80 LYS HE2 H 1 2.942 0.02 . 1 . 788 . . 80 LYS HE2 . 17772 1 875 . 1 1 80 80 LYS CA C 13 60.496 0.40 . 1 . 777 . . 80 LYS CA . 17772 1 876 . 1 1 80 80 LYS CB C 13 32.357 0.40 . 1 . 779 . . 80 LYS CB . 17772 1 877 . 1 1 80 80 LYS CG C 13 26.281 0.40 . 1 . 781 . . 80 LYS CG . 17772 1 878 . 1 1 80 80 LYS CD C 13 29.965 0.40 . 1 . 784 . . 80 LYS CD . 17772 1 879 . 1 1 80 80 LYS CE C 13 41.961 0.40 . 1 . 787 . . 80 LYS CE . 17772 1 880 . 1 1 80 80 LYS N N 15 121.129 0.40 . 1 . 775 . . 80 LYS N . 17772 1 881 . 1 1 81 81 ASN H H 1 8.148 0.02 . 1 . 790 . . 81 ASN H . 17772 1 882 . 1 1 81 81 ASN HA H 1 4.540 0.02 . 1 . 792 . . 81 ASN HA . 17772 1 883 . 1 1 81 81 ASN HB2 H 1 2.928 0.02 . 1 . 794 . . 81 ASN HB2 . 17772 1 884 . 1 1 81 81 ASN HB3 H 1 2.928 0.02 . 1 . 795 . . 81 ASN HB3 . 17772 1 885 . 1 1 81 81 ASN HD21 H 1 7.710 0.02 . 1 . 797 . . 81 ASN HD21 . 17772 1 886 . 1 1 81 81 ASN HD22 H 1 6.857 0.02 . 1 . 798 . . 81 ASN HD22 . 17772 1 887 . 1 1 81 81 ASN CA C 13 55.186 0.40 . 1 . 791 . . 81 ASN CA . 17772 1 888 . 1 1 81 81 ASN CB C 13 38.717 0.40 . 1 . 793 . . 81 ASN CB . 17772 1 889 . 1 1 81 81 ASN N N 15 118.197 0.40 . 1 . 789 . . 81 ASN N . 17772 1 890 . 1 1 81 81 ASN ND2 N 15 113.401 0.40 . 1 . 796 . . 81 ASN ND2 . 17772 1 891 . 1 1 82 82 GLU H H 1 8.102 0.02 . 1 . 800 . . 82 GLU H . 17772 1 892 . 1 1 82 82 GLU HA H 1 4.095 0.02 . 1 . 802 . . 82 GLU HA . 17772 1 893 . 1 1 82 82 GLU HB2 H 1 2.065 0.02 . 1 . 804 . . 82 GLU HB2 . 17772 1 894 . 1 1 82 82 GLU HB3 H 1 2.065 0.02 . 1 . 805 . . 82 GLU HB3 . 17772 1 895 . 1 1 82 82 GLU HG2 H 1 2.298 0.02 . 1 . 807 . . 82 GLU HG2 . 17772 1 896 . 1 1 82 82 GLU HG3 H 1 2.298 0.02 . 1 . 808 . . 82 GLU HG3 . 17772 1 897 . 1 1 82 82 GLU CA C 13 58.268 0.40 . 1 . 801 . . 82 GLU CA . 17772 1 898 . 1 1 82 82 GLU CB C 13 29.715 0.40 . 1 . 803 . . 82 GLU CB . 17772 1 899 . 1 1 82 82 GLU CG C 13 36.122 0.40 . 1 . 806 . . 82 GLU CG . 17772 1 900 . 1 1 82 82 GLU N N 15 118.396 0.40 . 1 . 799 . . 82 GLU N . 17772 1 901 . 1 1 83 83 THR H H 1 7.797 0.02 . 1 . 810 . . 83 THR H . 17772 1 902 . 1 1 83 83 THR HA H 1 4.329 0.02 . 1 . 812 . . 83 THR HA . 17772 1 903 . 1 1 83 83 THR HB H 1 4.062 0.02 . 1 . 814 . . 83 THR HB . 17772 1 904 . 1 1 83 83 THR HG21 H 1 0.868 0.02 . 1 . 816 . . 83 THR HG21 . 17772 1 905 . 1 1 83 83 THR HG22 H 1 0.868 0.02 . 1 . 816 . . 83 THR HG22 . 17772 1 906 . 1 1 83 83 THR HG23 H 1 0.868 0.02 . 1 . 816 . . 83 THR HG23 . 17772 1 907 . 1 1 83 83 THR CA C 13 62.112 0.40 . 1 . 811 . . 83 THR CA . 17772 1 908 . 1 1 83 83 THR CB C 13 71.081 0.40 . 1 . 813 . . 83 THR CB . 17772 1 909 . 1 1 83 83 THR CG2 C 13 20.811 0.40 . 1 . 815 . . 83 THR CG2 . 17772 1 910 . 1 1 83 83 THR N N 15 108.310 0.40 . 1 . 809 . . 83 THR N . 17772 1 911 . 1 1 84 84 GLY H H 1 8.099 0.02 . 1 . 818 . . 84 GLY H . 17772 1 912 . 1 1 84 84 GLY HA2 H 1 3.928 0.02 . 1 . 820 . . 84 GLY HA2 . 17772 1 913 . 1 1 84 84 GLY HA3 H 1 4.106 0.02 . 1 . 821 . . 84 GLY HA3 . 17772 1 914 . 1 1 84 84 GLY CA C 13 45.893 0.40 . 1 . 819 . . 84 GLY CA . 17772 1 915 . 1 1 84 84 GLY N N 15 111.713 0.40 . 1 . 817 . . 84 GLY N . 17772 1 916 . 1 1 85 85 TYR H H 1 7.883 0.02 . 1 . 823 . . 85 TYR H . 17772 1 917 . 1 1 85 85 TYR HA H 1 4.173 0.02 . 1 . 825 . . 85 TYR HA . 17772 1 918 . 1 1 85 85 TYR HB2 H 1 2.649 0.02 . 1 . 827 . . 85 TYR HB2 . 17772 1 919 . 1 1 85 85 TYR HB3 H 1 3.081 0.02 . 1 . 828 . . 85 TYR HB3 . 17772 1 920 . 1 1 85 85 TYR HD1 H 1 7.062 0.02 . 3 . 830 . . 85 TYR HD1 . 17772 1 921 . 1 1 85 85 TYR HD2 H 1 7.062 0.02 . 3 . 834 . . 85 TYR HD2 . 17772 1 922 . 1 1 85 85 TYR HE1 H 1 6.806 0.02 . 3 . 832 . . 85 TYR HE1 . 17772 1 923 . 1 1 85 85 TYR HE2 H 1 6.806 0.02 . 3 . 833 . . 85 TYR HE2 . 17772 1 924 . 1 1 85 85 TYR CA C 13 60.318 0.40 . 1 . 824 . . 85 TYR CA . 17772 1 925 . 1 1 85 85 TYR CB C 13 39.473 0.40 . 1 . 826 . . 85 TYR CB . 17772 1 926 . 1 1 85 85 TYR CD1 C 13 132.880 0.40 . 3 . 829 . . 85 TYR CD1 . 17772 1 927 . 1 1 85 85 TYR CE1 C 13 118.463 0.40 . 3 . 831 . . 85 TYR CE1 . 17772 1 928 . 1 1 85 85 TYR N N 15 121.269 0.40 . 1 . 822 . . 85 TYR N . 17772 1 929 . 1 1 86 86 THR H H 1 7.550 0.02 . 1 . 836 . . 86 THR H . 17772 1 930 . 1 1 86 86 THR HA H 1 4.171 0.02 . 1 . 838 . . 86 THR HA . 17772 1 931 . 1 1 86 86 THR HB H 1 4.045 0.02 . 1 . 840 . . 86 THR HB . 17772 1 932 . 1 1 86 86 THR HG21 H 1 1.079 0.02 . 1 . 842 . . 86 THR HG21 . 17772 1 933 . 1 1 86 86 THR HG22 H 1 1.079 0.02 . 1 . 842 . . 86 THR HG22 . 17772 1 934 . 1 1 86 86 THR HG23 H 1 1.079 0.02 . 1 . 842 . . 86 THR HG23 . 17772 1 935 . 1 1 86 86 THR CA C 13 61.471 0.40 . 1 . 837 . . 86 THR CA . 17772 1 936 . 1 1 86 86 THR CB C 13 70.354 0.40 . 1 . 839 . . 86 THR CB . 17772 1 937 . 1 1 86 86 THR CG2 C 13 21.436 0.40 . 1 . 841 . . 86 THR CG2 . 17772 1 938 . 1 1 86 86 THR N N 15 117.874 0.40 . 1 . 835 . . 86 THR N . 17772 1 939 . 1 1 87 87 LYS H H 1 7.953 0.02 . 1 . 844 . . 87 LYS H . 17772 1 940 . 1 1 87 87 LYS HA H 1 4.212 0.02 . 1 . 846 . . 87 LYS HA . 17772 1 941 . 1 1 87 87 LYS HB2 H 1 1.703 0.02 . 1 . 848 . . 87 LYS HB2 . 17772 1 942 . 1 1 87 87 LYS HB3 H 1 1.804 0.02 . 1 . 849 . . 87 LYS HB3 . 17772 1 943 . 1 1 87 87 LYS HG2 H 1 1.411 0.02 . 1 . 851 . . 87 LYS HG2 . 17772 1 944 . 1 1 87 87 LYS HG3 H 1 1.411 0.02 . 1 . 852 . . 87 LYS HG3 . 17772 1 945 . 1 1 87 87 LYS HD2 H 1 1.667 0.02 . 1 . 854 . . 87 LYS HD2 . 17772 1 946 . 1 1 87 87 LYS HD3 H 1 1.679 0.02 . 1 . 855 . . 87 LYS HD3 . 17772 1 947 . 1 1 87 87 LYS HE2 H 1 2.968 0.02 . 1 . 857 . . 87 LYS HE2 . 17772 1 948 . 1 1 87 87 LYS CA C 13 56.560 0.40 . 1 . 845 . . 87 LYS CA . 17772 1 949 . 1 1 87 87 LYS CB C 13 33.129 0.40 . 1 . 847 . . 87 LYS CB . 17772 1 950 . 1 1 87 87 LYS CG C 13 24.934 0.40 . 1 . 850 . . 87 LYS CG . 17772 1 951 . 1 1 87 87 LYS CD C 13 29.227 0.40 . 1 . 853 . . 87 LYS CD . 17772 1 952 . 1 1 87 87 LYS CE C 13 42.403 0.40 . 1 . 856 . . 87 LYS CE . 17772 1 953 . 1 1 87 87 LYS N N 15 123.140 0.40 . 1 . 843 . . 87 LYS N . 17772 1 954 . 1 1 88 88 ARG H H 1 8.575 0.02 . 1 . 859 . . 88 ARG H . 17772 1 955 . 1 1 88 88 ARG HA H 1 4.272 0.02 . 1 . 861 . . 88 ARG HA . 17772 1 956 . 1 1 88 88 ARG HB2 H 1 1.748 0.02 . 1 . 863 . . 88 ARG HB2 . 17772 1 957 . 1 1 88 88 ARG HB3 H 1 1.836 0.02 . 1 . 864 . . 88 ARG HB3 . 17772 1 958 . 1 1 88 88 ARG HG2 H 1 1.638 0.02 . 1 . 866 . . 88 ARG HG2 . 17772 1 959 . 1 1 88 88 ARG HG3 H 1 1.638 0.02 . 1 . 867 . . 88 ARG HG3 . 17772 1 960 . 1 1 88 88 ARG HD2 H 1 3.222 0.02 . 1 . 869 . . 88 ARG HD2 . 17772 1 961 . 1 1 88 88 ARG HD3 H 1 3.222 0.02 . 1 . 870 . . 88 ARG HD3 . 17772 1 962 . 1 1 88 88 ARG HE H 1 7.330 0.02 . 1 . 872 . . 88 ARG HE . 17772 1 963 . 1 1 88 88 ARG CA C 13 56.388 0.40 . 1 . 860 . . 88 ARG CA . 17772 1 964 . 1 1 88 88 ARG CB C 13 30.814 0.40 . 1 . 862 . . 88 ARG CB . 17772 1 965 . 1 1 88 88 ARG CG C 13 27.210 0.40 . 1 . 865 . . 88 ARG CG . 17772 1 966 . 1 1 88 88 ARG CD C 13 43.432 0.40 . 1 . 868 . . 88 ARG CD . 17772 1 967 . 1 1 88 88 ARG N N 15 123.860 0.40 . 1 . 858 . . 88 ARG N . 17772 1 968 . 1 1 88 88 ARG NE N 15 85.381 0.40 . 1 . 871 . . 88 ARG NE . 17772 1 969 . 1 1 89 89 LEU H H 1 8.187 0.02 . 1 . 874 . . 89 LEU H . 17772 1 970 . 1 1 89 89 LEU HA H 1 4.310 0.02 . 1 . 876 . . 89 LEU HA . 17772 1 971 . 1 1 89 89 LEU HB2 H 1 1.568 0.02 . 1 . 878 . . 89 LEU HB2 . 17772 1 972 . 1 1 89 89 LEU HB3 H 1 1.657 0.02 . 1 . 879 . . 89 LEU HB3 . 17772 1 973 . 1 1 89 89 LEU HG H 1 1.656 0.02 . 1 . 881 . . 89 LEU HG . 17772 1 974 . 1 1 89 89 LEU HD11 H 1 0.938 0.02 . 1 . 883 . . 89 LEU HD11 . 17772 1 975 . 1 1 89 89 LEU HD12 H 1 0.938 0.02 . 1 . 883 . . 89 LEU HD12 . 17772 1 976 . 1 1 89 89 LEU HD13 H 1 0.938 0.02 . 1 . 883 . . 89 LEU HD13 . 17772 1 977 . 1 1 89 89 LEU HD21 H 1 0.871 0.02 . 1 . 885 . . 89 LEU HD21 . 17772 1 978 . 1 1 89 89 LEU HD22 H 1 0.871 0.02 . 1 . 885 . . 89 LEU HD22 . 17772 1 979 . 1 1 89 89 LEU HD23 H 1 0.871 0.02 . 1 . 885 . . 89 LEU HD23 . 17772 1 980 . 1 1 89 89 LEU CA C 13 55.232 0.40 . 1 . 875 . . 89 LEU CA . 17772 1 981 . 1 1 89 89 LEU CB C 13 42.257 0.40 . 1 . 877 . . 89 LEU CB . 17772 1 982 . 1 1 89 89 LEU CG C 13 27.040 0.40 . 1 . 880 . . 89 LEU CG . 17772 1 983 . 1 1 89 89 LEU CD1 C 13 25.013 0.40 . 1 . 882 . . 89 LEU CD1 . 17772 1 984 . 1 1 89 89 LEU CD2 C 13 23.577 0.40 . 1 . 884 . . 89 LEU CD2 . 17772 1 985 . 1 1 89 89 LEU N N 15 123.683 0.40 . 1 . 873 . . 89 LEU N . 17772 1 986 . 1 1 90 90 ARG H H 1 8.276 0.02 . 1 . 887 . . 90 ARG H . 17772 1 987 . 1 1 90 90 ARG HA H 1 4.344 0.02 . 1 . 889 . . 90 ARG HA . 17772 1 988 . 1 1 90 90 ARG HB2 H 1 1.774 0.02 . 1 . 891 . . 90 ARG HB2 . 17772 1 989 . 1 1 90 90 ARG HB3 H 1 1.856 0.02 . 1 . 892 . . 90 ARG HB3 . 17772 1 990 . 1 1 90 90 ARG HG2 H 1 1.635 0.02 . 1 . 894 . . 90 ARG HG2 . 17772 1 991 . 1 1 90 90 ARG HG3 H 1 1.635 0.02 . 1 . 895 . . 90 ARG HG3 . 17772 1 992 . 1 1 90 90 ARG HD2 H 1 3.210 0.02 . 1 . 897 . . 90 ARG HD2 . 17772 1 993 . 1 1 90 90 ARG HD3 H 1 3.210 0.02 . 1 . 898 . . 90 ARG HD3 . 17772 1 994 . 1 1 90 90 ARG HE H 1 7.259 0.02 . 1 . 900 . . 90 ARG HE . 17772 1 995 . 1 1 90 90 ARG CA C 13 55.860 0.40 . 1 . 888 . . 90 ARG CA . 17772 1 996 . 1 1 90 90 ARG CB C 13 30.986 0.40 . 1 . 890 . . 90 ARG CB . 17772 1 997 . 1 1 90 90 ARG CG C 13 27.210 0.40 . 1 . 893 . . 90 ARG CG . 17772 1 998 . 1 1 90 90 ARG CD C 13 43.449 0.40 . 1 . 896 . . 90 ARG CD . 17772 1 999 . 1 1 90 90 ARG N N 15 122.842 0.40 . 1 . 886 . . 90 ARG N . 17772 1 1000 . 1 1 90 90 ARG NE N 15 85.613 0.40 . 1 . 899 . . 90 ARG NE . 17772 1 1001 . 1 1 91 91 LYS H H 1 8.373 0.02 . 1 . 902 . . 91 LYS H . 17772 1 1002 . 1 1 91 91 LYS HA H 1 4.310 0.02 . 1 . 904 . . 91 LYS HA . 17772 1 1003 . 1 1 91 91 LYS HB2 H 1 1.776 0.02 . 1 . 906 . . 91 LYS HB2 . 17772 1 1004 . 1 1 91 91 LYS HB3 H 1 1.860 0.02 . 1 . 907 . . 91 LYS HB3 . 17772 1 1005 . 1 1 91 91 LYS HG2 H 1 1.449 0.02 . 1 . 909 . . 91 LYS HG2 . 17772 1 1006 . 1 1 91 91 LYS HD2 H 1 1.689 0.02 . 1 . 911 . . 91 LYS HD2 . 17772 1 1007 . 1 1 91 91 LYS HE2 H 1 3.006 0.02 . 1 . 913 . . 91 LYS HE2 . 17772 1 1008 . 1 1 91 91 LYS CA C 13 56.486 0.40 . 1 . 903 . . 91 LYS CA . 17772 1 1009 . 1 1 91 91 LYS CB C 13 33.063 0.40 . 1 . 905 . . 91 LYS CB . 17772 1 1010 . 1 1 91 91 LYS CG C 13 24.742 0.40 . 1 . 908 . . 91 LYS CG . 17772 1 1011 . 1 1 91 91 LYS CD C 13 29.135 0.40 . 1 . 910 . . 91 LYS CD . 17772 1 1012 . 1 1 91 91 LYS CE C 13 42.220 0.40 . 1 . 912 . . 91 LYS CE . 17772 1 1013 . 1 1 91 91 LYS N N 15 124.329 0.40 . 1 . 901 . . 91 LYS N . 17772 1 1014 . 1 1 92 92 GLN H H 1 8.044 0.02 . 1 . 915 . . 92 GLN H . 17772 1 1015 . 1 1 92 92 GLN HA H 1 4.164 0.02 . 1 . 917 . . 92 GLN HA . 17772 1 1016 . 1 1 92 92 GLN HB2 H 1 1.911 0.02 . 1 . 919 . . 92 GLN HB2 . 17772 1 1017 . 1 1 92 92 GLN HB3 H 1 2.101 0.02 . 1 . 920 . . 92 GLN HB3 . 17772 1 1018 . 1 1 92 92 GLN HG2 H 1 2.292 0.02 . 1 . 922 . . 92 GLN HG2 . 17772 1 1019 . 1 1 92 92 GLN HG3 H 1 2.292 0.02 . 1 . 923 . . 92 GLN HG3 . 17772 1 1020 . 1 1 92 92 GLN HE21 H 1 7.542 0.02 . 1 . 926 . . 92 GLN HE21 . 17772 1 1021 . 1 1 92 92 GLN HE22 H 1 6.830 0.02 . 1 . 927 . . 92 GLN HE22 . 17772 1 1022 . 1 1 92 92 GLN CA C 13 57.419 0.40 . 1 . 916 . . 92 GLN CA . 17772 1 1023 . 1 1 92 92 GLN CB C 13 30.507 0.40 . 1 . 918 . . 92 GLN CB . 17772 1 1024 . 1 1 92 92 GLN CG C 13 34.383 0.40 . 1 . 921 . . 92 GLN CG . 17772 1 1025 . 1 1 92 92 GLN CD C 13 21.343 0.40 . 1 . 924 . . 92 GLN CD . 17772 1 1026 . 1 1 92 92 GLN N N 15 127.663 0.40 . 1 . 914 . . 92 GLN N . 17772 1 1027 . 1 1 92 92 GLN NE2 N 15 113.025 0.40 . 1 . 925 . . 92 GLN NE2 . 17772 1 stop_ save_