data_16967 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16967 _Entry.Title ; Solution structure of MAST2-PDZ complexed with the C-terminus of PTEN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-01 _Entry.Accession_date 2010-06-01 _Entry.Last_release_date 2012-09-20 _Entry.Original_release_date 2012-09-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Elouan TERRIEN . . . 16967 2 Nicolas WOLFF . . . 16967 3 Florence CORDIER . . . 16967 4 Catherine SIMENEL . . . 16967 5 Monique LAFON . . . 16967 6 Muriel DELEPIERRE . . . 16967 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' . 16967 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID complex . 16967 kinase . 16967 PDZ . 16967 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16967 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 16967 '15N chemical shifts' 96 16967 '1H chemical shifts' 664 16967 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-09-20 2010-06-01 original author . 16967 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KYL 'BMRB Entry Tracking System' 16967 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16967 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22894835 _Citation.Full_citation . _Citation.Title 'Interference with the PTEN-MAST2 Interaction by a Viral Protein Leads to Cellular Relocalization of PTEN.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Signal.' _Citation.Journal_name_full 'Science signaling' _Citation.Journal_volume 5 _Citation.Journal_issue 237 _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 ra58 _Citation.Page_last ra58 _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 Elouan Terrien . . . 16967 1 2 Alain Chaffotte . . . 16967 1 3 Mireille Lafage . . . 16967 1 4 Zakir Khan . . . 16967 1 5 Christophe Prehaud . . . 16967 1 6 Florence Cordier . . . 16967 1 7 Catherine Simenel . . . 16967 1 8 Muriel Delepierre . . . 16967 1 9 Henri Buc . . . 16967 1 10 Monique Lafon . . . 16967 1 11 Nicolas Wolff . . . 16967 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16967 _Assembly.ID 1 _Assembly.Name MAST2-PDZ/PTEN-C_Terminus _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 16967 1 2 entity_2 2 $entity_2 B . yes native no no . . . 16967 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 16967 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MAST2-PDZ _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGSMRPPIIIHRAGKKYGFT LRAIRVYMGDSDVYTVHHMV WHVEDGGPASEAGLRQGDLI THVNGEPVHGLVHTEVVELI LKSGNKVAISTTPLEN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 is a non residue due to TEV cleavage site' _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'PDZ domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10452.032 _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 no BMRB 15972 . Mast205 . . . . . 100.00 96 100.00 100.00 7.95e-62 . . . . 16967 1 2 no PDB 2KQF . "Solution Structure Of Mast205-Pdz Complexed With The C-Terminus Of A Rabies Virus G Protein" . . . . . 100.00 96 100.00 100.00 7.95e-62 . . . . 16967 1 3 no PDB 2KYL . "Solution Structure Of Mast2-Pdz Complexed With The C-Terminus Of Pten" . . . . . 100.00 96 100.00 100.00 7.95e-62 . . . . 16967 1 4 no DBJ BAA34527 . "KIAA0807 protein [Homo sapiens]" . . . . . 98.96 1329 100.00 100.00 6.59e-56 . . . . 16967 1 5 no DBJ BAB40778 . "MAST205 [Homo sapiens]" . . . . . 98.96 1734 100.00 100.00 4.42e-56 . . . . 16967 1 6 no EMBL CAD38775 . "hypothetical protein [Homo sapiens]" . . . . . 98.96 966 100.00 100.00 2.36e-55 . . . . 16967 1 7 no GB AAH65499 . "Microtubule associated serine/threonine kinase 2 [Homo sapiens]" . . . . . 98.96 1797 100.00 100.00 3.22e-56 . . . . 16967 1 8 no GB EAX06948 . "microtubule associated serine/threonine kinase 2, isoform CRA_a [Homo sapiens]" . . . . . 98.96 1797 100.00 100.00 3.22e-56 . . . . 16967 1 9 no GB EAX06949 . "microtubule associated serine/threonine kinase 2, isoform CRA_b [Homo sapiens]" . . . . . 98.96 1798 100.00 100.00 3.22e-56 . . . . 16967 1 10 no GB EFB27522 . "hypothetical protein PANDA_008139, partial [Ailuropoda melanoleuca]" . . . . . 97.92 1629 97.87 100.00 1.07e-54 . . . . 16967 1 11 no GB EHB01606 . "Microtubule-associated serine/threonine-protein kinase 2, partial [Heterocephalus glaber]" . . . . . 98.96 1642 97.89 98.95 8.29e-55 . . . . 16967 1 12 no REF NP_055927 . "microtubule-associated serine/threonine-protein kinase 2 [Homo sapiens]" . . . . . 98.96 1798 100.00 100.00 3.22e-56 . . . . 16967 1 13 no REF XP_001105315 . "PREDICTED: microtubule-associated serine/threonine-protein kinase 2 isoform 9 [Macaca mulatta]" . . . . . 98.96 1794 98.95 100.00 1.19e-55 . . . . 16967 1 14 no REF XP_002810932 . "PREDICTED: LOW QUALITY PROTEIN: microtubule-associated serine/threonine-protein kinase 2 [Pongo abelii]" . . . . . 98.96 1798 100.00 100.00 3.25e-56 . . . . 16967 1 15 no REF XP_004025774 . "PREDICTED: microtubule-associated serine/threonine-protein kinase 2, partial [Gorilla gorilla gorilla]" . . . . . 98.96 1607 100.00 100.00 3.71e-56 . . . . 16967 1 16 no REF XP_004285802 . "PREDICTED: microtubule-associated serine/threonine-protein kinase 2 isoform X1 [Orcinus orca]" . . . . . 97.92 1802 97.87 98.94 3.73e-54 . . . . 16967 1 17 no SP Q6P0Q8 . "RecName: Full=Microtubule-associated serine/threonine-protein kinase 2" . . . . . 98.96 1798 100.00 100.00 3.22e-56 . . . . 16967 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 . 16967 1 2 . GLY . 16967 1 3 . SER . 16967 1 4 . MET . 16967 1 5 . ARG . 16967 1 6 . PRO . 16967 1 7 . PRO . 16967 1 8 . ILE . 16967 1 9 . ILE . 16967 1 10 . ILE . 16967 1 11 . HIS . 16967 1 12 . ARG . 16967 1 13 . ALA . 16967 1 14 . GLY . 16967 1 15 . LYS . 16967 1 16 . LYS . 16967 1 17 . TYR . 16967 1 18 . GLY . 16967 1 19 . PHE . 16967 1 20 . THR . 16967 1 21 . LEU . 16967 1 22 . ARG . 16967 1 23 . ALA . 16967 1 24 . ILE . 16967 1 25 . ARG . 16967 1 26 . VAL . 16967 1 27 . TYR . 16967 1 28 . MET . 16967 1 29 . GLY . 16967 1 30 . ASP . 16967 1 31 . SER . 16967 1 32 . ASP . 16967 1 33 . VAL . 16967 1 34 . TYR . 16967 1 35 . THR . 16967 1 36 . VAL . 16967 1 37 . HIS . 16967 1 38 . HIS . 16967 1 39 . MET . 16967 1 40 . VAL . 16967 1 41 . TRP . 16967 1 42 . HIS . 16967 1 43 . VAL . 16967 1 44 . GLU . 16967 1 45 . ASP . 16967 1 46 . GLY . 16967 1 47 . GLY . 16967 1 48 . PRO . 16967 1 49 . ALA . 16967 1 50 . SER . 16967 1 51 . GLU . 16967 1 52 . ALA . 16967 1 53 . GLY . 16967 1 54 . LEU . 16967 1 55 . ARG . 16967 1 56 . GLN . 16967 1 57 . GLY . 16967 1 58 . ASP . 16967 1 59 . LEU . 16967 1 60 . ILE . 16967 1 61 . THR . 16967 1 62 . HIS . 16967 1 63 . VAL . 16967 1 64 . ASN . 16967 1 65 . GLY . 16967 1 66 . GLU . 16967 1 67 . PRO . 16967 1 68 . VAL . 16967 1 69 . HIS . 16967 1 70 . GLY . 16967 1 71 . LEU . 16967 1 72 . VAL . 16967 1 73 . HIS . 16967 1 74 . THR . 16967 1 75 . GLU . 16967 1 76 . VAL . 16967 1 77 . VAL . 16967 1 78 . GLU . 16967 1 79 . LEU . 16967 1 80 . ILE . 16967 1 81 . LEU . 16967 1 82 . LYS . 16967 1 83 . SER . 16967 1 84 . GLY . 16967 1 85 . ASN . 16967 1 86 . LYS . 16967 1 87 . VAL . 16967 1 88 . ALA . 16967 1 89 . ILE . 16967 1 90 . SER . 16967 1 91 . THR . 16967 1 92 . THR . 16967 1 93 . PRO . 16967 1 94 . LEU . 16967 1 95 . GLU . 16967 1 96 . ASN . 16967 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 16967 1 . GLY 2 2 16967 1 . SER 3 3 16967 1 . MET 4 4 16967 1 . ARG 5 5 16967 1 . PRO 6 6 16967 1 . PRO 7 7 16967 1 . ILE 8 8 16967 1 . ILE 9 9 16967 1 . ILE 10 10 16967 1 . HIS 11 11 16967 1 . ARG 12 12 16967 1 . ALA 13 13 16967 1 . GLY 14 14 16967 1 . LYS 15 15 16967 1 . LYS 16 16 16967 1 . TYR 17 17 16967 1 . GLY 18 18 16967 1 . PHE 19 19 16967 1 . THR 20 20 16967 1 . LEU 21 21 16967 1 . ARG 22 22 16967 1 . ALA 23 23 16967 1 . ILE 24 24 16967 1 . ARG 25 25 16967 1 . VAL 26 26 16967 1 . TYR 27 27 16967 1 . MET 28 28 16967 1 . GLY 29 29 16967 1 . ASP 30 30 16967 1 . SER 31 31 16967 1 . ASP 32 32 16967 1 . VAL 33 33 16967 1 . TYR 34 34 16967 1 . THR 35 35 16967 1 . VAL 36 36 16967 1 . HIS 37 37 16967 1 . HIS 38 38 16967 1 . MET 39 39 16967 1 . VAL 40 40 16967 1 . TRP 41 41 16967 1 . HIS 42 42 16967 1 . VAL 43 43 16967 1 . GLU 44 44 16967 1 . ASP 45 45 16967 1 . GLY 46 46 16967 1 . GLY 47 47 16967 1 . PRO 48 48 16967 1 . ALA 49 49 16967 1 . SER 50 50 16967 1 . GLU 51 51 16967 1 . ALA 52 52 16967 1 . GLY 53 53 16967 1 . LEU 54 54 16967 1 . ARG 55 55 16967 1 . GLN 56 56 16967 1 . GLY 57 57 16967 1 . ASP 58 58 16967 1 . LEU 59 59 16967 1 . ILE 60 60 16967 1 . THR 61 61 16967 1 . HIS 62 62 16967 1 . VAL 63 63 16967 1 . ASN 64 64 16967 1 . GLY 65 65 16967 1 . GLU 66 66 16967 1 . PRO 67 67 16967 1 . VAL 68 68 16967 1 . HIS 69 69 16967 1 . GLY 70 70 16967 1 . LEU 71 71 16967 1 . VAL 72 72 16967 1 . HIS 73 73 16967 1 . THR 74 74 16967 1 . GLU 75 75 16967 1 . VAL 76 76 16967 1 . VAL 77 77 16967 1 . GLU 78 78 16967 1 . LEU 79 79 16967 1 . ILE 80 80 16967 1 . LEU 81 81 16967 1 . LYS 82 82 16967 1 . SER 83 83 16967 1 . GLY 84 84 16967 1 . ASN 85 85 16967 1 . LYS 86 86 16967 1 . VAL 87 87 16967 1 . ALA 88 88 16967 1 . ILE 89 89 16967 1 . SER 90 90 16967 1 . THR 91 91 16967 1 . THR 92 92 16967 1 . PRO 93 93 16967 1 . LEU 94 94 16967 1 . GLU 95 95 16967 1 . ASN 96 96 16967 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 16967 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PTEN-C_Terminus _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code PFDEDQHTQITKV _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1559.692 _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 . PRO . 16967 2 2 . PHE . 16967 2 3 . ASP . 16967 2 4 . GLU . 16967 2 5 . ASP . 16967 2 6 . GLN . 16967 2 7 . HIS . 16967 2 8 . THR . 16967 2 9 . GLN . 16967 2 10 . ILE . 16967 2 11 . THR . 16967 2 12 . LYS . 16967 2 13 . VAL . 16967 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . PRO 1 1 16967 2 . PHE 2 2 16967 2 . ASP 3 3 16967 2 . GLU 4 4 16967 2 . ASP 5 5 16967 2 . GLN 6 6 16967 2 . HIS 7 7 16967 2 . THR 8 8 16967 2 . GLN 9 9 16967 2 . ILE 10 10 16967 2 . THR 11 11 16967 2 . LYS 12 12 16967 2 . VAL 13 13 16967 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 16967 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16967 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16967 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 16967 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pDEST15 . . . . . . 16967 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16967 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16967 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 16967 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1.2 . . mM . . . . 16967 1 3 Tris-HCL 'natural abundance' . . . . . . 50 . . mM . . . . 16967 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16967 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16967 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16967 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 16967 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 16967 1 pH 7.5 . pH 16967 1 pressure 1 . atm 16967 1 temperature 298 . K 16967 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16967 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16967 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16967 1 'data analysis' 16967 1 'peak picking' 16967 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16967 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16967 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16967 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16967 _Software.ID 3 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16967 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16967 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16967 _Software.ID 4 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16967 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16967 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16967 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16967 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16967 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16967 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16967 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16967 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16967 _Software.ID 7 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16967 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16967 7 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16967 _Software.ID 8 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16967 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16967 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16967 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16967 _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 INOVA . 600 . . . 16967 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 16967 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 12 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 13 '3D_13C-selected/12C,14N-selected NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 14 '3D_15N-selected/12C,14N-selected NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16967 1 stop_ 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 16967 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 16967 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.000000000 . . . . . . . . . 16967 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 16967 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16967 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16967 1 3 '3D CBCA(CO)NH' . . . 16967 1 4 '3D C(CO)NH' . . . 16967 1 5 '3D HNCO' . . . 16967 1 6 '3D HNCACB' . . . 16967 1 8 '3D HCCH-TOCSY' . . . 16967 1 12 '3D HN(COCA)CB' . . . 16967 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 16967 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY HA2 H 1 4.423 0.01 . 2 . . . . 2 G HA1 . 16967 1 2 . 1 1 2 2 GLY HA3 H 1 4.423 0.01 . 2 . . . . 2 G HA2 . 16967 1 3 . 1 1 2 2 GLY C C 13 177.831 0.3 . 1 . . . . 2 G C . 16967 1 4 . 1 1 2 2 GLY CA C 13 54.080 0.3 . 1 . . . . 2 G CA . 16967 1 5 . 1 1 3 3 SER H H 1 7.812 0.01 . 1 . . . . 3 S HN . 16967 1 6 . 1 1 3 3 SER HA H 1 4.397 0.01 . 1 . . . . 3 S HA . 16967 1 7 . 1 1 3 3 SER HB2 H 1 3.781 0.01 . 2 . . . . 3 S HB1 . 16967 1 8 . 1 1 3 3 SER HB3 H 1 3.781 0.01 . 2 . . . . 3 S HB2 . 16967 1 9 . 1 1 3 3 SER CA C 13 58.099 0.3 . 1 . . . . 3 S CA . 16967 1 10 . 1 1 3 3 SER CB C 13 63.925 0.01 . 1 . . . . 3 S CB . 16967 1 11 . 1 1 3 3 SER N N 15 114.793 0.3 . 1 . . . . 3 S N . 16967 1 12 . 1 1 4 4 MET H H 1 8.356 0.01 . 1 . . . . 4 M HN . 16967 1 13 . 1 1 4 4 MET HA H 1 4.316 0.01 . 1 . . . . 4 M HA . 16967 1 14 . 1 1 4 4 MET HB2 H 1 2.270 0.01 . 2 . . . . 4 M HB1 . 16967 1 15 . 1 1 4 4 MET HB3 H 1 2.336 0.01 . 2 . . . . 4 M HB2 . 16967 1 16 . 1 1 4 4 MET HG2 H 1 1.734 0.01 . 2 . . . . 4 M HG1 . 16967 1 17 . 1 1 4 4 MET HG3 H 1 1.866 0.01 . 2 . . . . 4 M HG2 . 16967 1 18 . 1 1 4 4 MET C C 13 175.808 0.3 . 1 . . . . 4 M C . 16967 1 19 . 1 1 4 4 MET CA C 13 55.638 0.3 . 1 . . . . 4 M CA . 16967 1 20 . 1 1 4 4 MET CB C 13 33.388 0.3 . 1 . . . . 4 M CB . 16967 1 21 . 1 1 4 4 MET CG C 13 31.489 0.3 . 1 . . . . 4 M CG . 16967 1 22 . 1 1 4 4 MET N N 15 122.558 0.3 . 1 . . . . 4 M N . 16967 1 23 . 1 1 5 5 ARG H H 1 8.480 0.01 . 1 . . . . 5 R HN . 16967 1 24 . 1 1 5 5 ARG HA H 1 4.542 0.01 . 1 . . . . 5 R HA . 16967 1 25 . 1 1 5 5 ARG HB2 H 1 1.777 0.01 . 2 . . . . 5 R HB1 . 16967 1 26 . 1 1 5 5 ARG HB3 H 1 1.838 0.01 . 2 . . . . 5 R HB2 . 16967 1 27 . 1 1 5 5 ARG HD2 H 1 3.254 0.01 . 2 . . . . 5 R HD1 . 16967 1 28 . 1 1 5 5 ARG HD3 H 1 3.254 0.01 . 2 . . . . 5 R HD2 . 16967 1 29 . 1 1 5 5 ARG HG2 H 1 1.691 0.01 . 2 . . . . 5 R HG1 . 16967 1 30 . 1 1 5 5 ARG HG3 H 1 1.691 0.01 . 2 . . . . 5 R HG2 . 16967 1 31 . 1 1 5 5 ARG C C 13 175.824 0.3 . 1 . . . . 5 R C . 16967 1 32 . 1 1 5 5 ARG CA C 13 54.386 0.3 . 1 . . . . 5 R CA . 16967 1 33 . 1 1 5 5 ARG CB C 13 30.061 0.3 . 1 . . . . 5 R CB . 16967 1 34 . 1 1 5 5 ARG CD C 13 43.643 0.3 . 1 . . . . 5 R CD . 16967 1 35 . 1 1 5 5 ARG CG C 13 27.392 0.3 . 1 . . . . 5 R CG . 16967 1 36 . 1 1 5 5 ARG N N 15 125.309 0.3 . 1 . . . . 5 R N . 16967 1 37 . 1 1 6 6 PRO HA H 1 4.563 0.01 . 1 . . . . 6 P HA . 16967 1 38 . 1 1 6 6 PRO HB2 H 1 1.818 0.01 . 2 . . . . 6 P HB1 . 16967 1 39 . 1 1 6 6 PRO HB3 H 1 2.316 0.01 . 2 . . . . 6 P HB2 . 16967 1 40 . 1 1 6 6 PRO HD2 H 1 3.568 0.01 . 2 . . . . 6 P HD1 . 16967 1 41 . 1 1 6 6 PRO HD3 H 1 3.786 0.01 . 2 . . . . 6 P HD2 . 16967 1 42 . 1 1 6 6 PRO HG2 H 1 2.045 0.01 . 2 . . . . 6 P HG1 . 16967 1 43 . 1 1 6 6 PRO HG3 H 1 1.956 0.01 . 2 . . . . 6 P HG2 . 16967 1 44 . 1 1 6 6 PRO CA C 13 61.401 0.01 . 1 . . . . 6 P CA . 16967 1 45 . 1 1 6 6 PRO CB C 13 30.880 0.3 . 1 . . . . 6 P CB . 16967 1 46 . 1 1 6 6 PRO CD C 13 50.316 0.3 . 1 . . . . 6 P CD . 16967 1 47 . 1 1 6 6 PRO CG C 13 27.474 0.3 . 1 . . . . 6 P CG . 16967 1 48 . 1 1 7 7 PRO HA H 1 4.407 0.01 . 1 . . . . 7 P HA . 16967 1 49 . 1 1 7 7 PRO HB2 H 1 1.399 0.01 . 2 . . . . 7 P HB1 . 16967 1 50 . 1 1 7 7 PRO HB3 H 1 1.921 0.01 . 2 . . . . 7 P HB2 . 16967 1 51 . 1 1 7 7 PRO HD2 H 1 3.586 0.01 . 2 . . . . 7 P HD1 . 16967 1 52 . 1 1 7 7 PRO HD3 H 1 3.586 0.01 . 2 . . . . 7 P HD2 . 16967 1 53 . 1 1 7 7 PRO HG2 H 1 1.782 0.01 . 2 . . . . 7 P HG1 . 16967 1 54 . 1 1 7 7 PRO HG3 H 1 1.863 0.01 . 2 . . . . 7 P HG2 . 16967 1 55 . 1 1 7 7 PRO C C 13 175.856 0.3 . 1 . . . . 7 P C . 16967 1 56 . 1 1 7 7 PRO CA C 13 62.611 0.3 . 1 . . . . 7 P CA . 16967 1 57 . 1 1 7 7 PRO CB C 13 32.157 0.3 . 1 . . . . 7 P CB . 16967 1 58 . 1 1 7 7 PRO CD C 13 50.488 0.3 . 1 . . . . 7 P CD . 16967 1 59 . 1 1 7 7 PRO CG C 13 26.708 0.3 . 1 . . . . 7 P CG . 16967 1 60 . 1 1 8 8 ILE H H 1 8.734 0.01 . 1 . . . . 8 I HN . 16967 1 61 . 1 1 8 8 ILE HA H 1 4.055 0.01 . 1 . . . . 8 I HA . 16967 1 62 . 1 1 8 8 ILE HB H 1 1.782 0.01 . 1 . . . . 8 I HB . 16967 1 63 . 1 1 8 8 ILE HD11 H 1 0.669 0.01 . 1 . . . . 8 I HD11 . 16967 1 64 . 1 1 8 8 ILE HD12 H 1 0.669 0.01 . 1 . . . . 8 I HD11 . 16967 1 65 . 1 1 8 8 ILE HD13 H 1 0.669 0.01 . 1 . . . . 8 I HD11 . 16967 1 66 . 1 1 8 8 ILE HG12 H 1 1.212 0.01 . 2 . . . . 8 I HG11 . 16967 1 67 . 1 1 8 8 ILE HG13 H 1 1.414 0.01 . 2 . . . . 8 I HG12 . 16967 1 68 . 1 1 8 8 ILE HG21 H 1 0.610 0.01 . 1 . . . . 8 I HG21 . 16967 1 69 . 1 1 8 8 ILE HG22 H 1 0.610 0.01 . 1 . . . . 8 I HG21 . 16967 1 70 . 1 1 8 8 ILE HG23 H 1 0.610 0.01 . 1 . . . . 8 I HG21 . 16967 1 71 . 1 1 8 8 ILE C C 13 175.061 0.3 . 1 . . . . 8 I C . 16967 1 72 . 1 1 8 8 ILE CA C 13 60.253 0.3 . 1 . . . . 8 I CA . 16967 1 73 . 1 1 8 8 ILE CB C 13 38.514 0.3 . 1 . . . . 8 I CB . 16967 1 74 . 1 1 8 8 ILE CD1 C 13 12.814 0.3 . 1 . . . . 8 I CD1 . 16967 1 75 . 1 1 8 8 ILE CG1 C 13 27.448 0.3 . 1 . . . . 8 I CG1 . 16967 1 76 . 1 1 8 8 ILE CG2 C 13 18.245 0.3 . 1 . . . . 8 I CG2 . 16967 1 77 . 1 1 8 8 ILE N N 15 122.255 0.3 . 1 . . . . 8 I N . 16967 1 78 . 1 1 9 9 ILE H H 1 8.471 0.01 . 1 . . . . 9 I HN . 16967 1 79 . 1 1 9 9 ILE HA H 1 4.672 0.01 . 1 . . . . 9 I HA . 16967 1 80 . 1 1 9 9 ILE HB H 1 1.819 0.01 . 1 . . . . 9 I HB . 16967 1 81 . 1 1 9 9 ILE HD11 H 1 0.688 0.01 . 1 . . . . 9 I HD11 . 16967 1 82 . 1 1 9 9 ILE HD12 H 1 0.688 0.01 . 1 . . . . 9 I HD11 . 16967 1 83 . 1 1 9 9 ILE HD13 H 1 0.688 0.01 . 1 . . . . 9 I HD11 . 16967 1 84 . 1 1 9 9 ILE HG12 H 1 1.099 0.01 . 2 . . . . 9 I HG11 . 16967 1 85 . 1 1 9 9 ILE HG13 H 1 1.365 0.01 . 2 . . . . 9 I HG12 . 16967 1 86 . 1 1 9 9 ILE HG21 H 1 0.524 0.01 . 1 . . . . 9 I HG21 . 16967 1 87 . 1 1 9 9 ILE HG22 H 1 0.524 0.01 . 1 . . . . 9 I HG21 . 16967 1 88 . 1 1 9 9 ILE HG23 H 1 0.524 0.01 . 1 . . . . 9 I HG21 . 16967 1 89 . 1 1 9 9 ILE C C 13 174.928 0.3 . 1 . . . . 9 I C . 16967 1 90 . 1 1 9 9 ILE CA C 13 59.637 0.3 . 1 . . . . 9 I CA . 16967 1 91 . 1 1 9 9 ILE CB C 13 37.079 0.3 . 1 . . . . 9 I CB . 16967 1 92 . 1 1 9 9 ILE CD1 C 13 11.981 0.3 . 1 . . . . 9 I CD1 . 16967 1 93 . 1 1 9 9 ILE CG1 C 13 27.431 0.3 . 1 . . . . 9 I CG1 . 16967 1 94 . 1 1 9 9 ILE CG2 C 13 17.532 0.3 . 1 . . . . 9 I CG2 . 16967 1 95 . 1 1 9 9 ILE N N 15 128.618 0.3 . 1 . . . . 9 I N . 16967 1 96 . 1 1 10 10 ILE H H 1 8.841 0.01 . 1 . . . . 10 I HN . 16967 1 97 . 1 1 10 10 ILE HA H 1 4.257 0.01 . 1 . . . . 10 I HA . 16967 1 98 . 1 1 10 10 ILE HB H 1 1.558 0.01 . 1 . . . . 10 I HB . 16967 1 99 . 1 1 10 10 ILE HD11 H 1 0.485 0.01 . 1 . . . . 10 I HD11 . 16967 1 100 . 1 1 10 10 ILE HD12 H 1 0.485 0.01 . 1 . . . . 10 I HD11 . 16967 1 101 . 1 1 10 10 ILE HD13 H 1 0.485 0.01 . 1 . . . . 10 I HD11 . 16967 1 102 . 1 1 10 10 ILE HG12 H 1 1.530 0.01 . 2 . . . . 10 I HG11 . 16967 1 103 . 1 1 10 10 ILE HG13 H 1 0.526 0.01 . 2 . . . . 10 I HG12 . 16967 1 104 . 1 1 10 10 ILE HG21 H 1 1.009 0.01 . 1 . . . . 10 I HG21 . 16967 1 105 . 1 1 10 10 ILE HG22 H 1 1.009 0.01 . 1 . . . . 10 I HG21 . 16967 1 106 . 1 1 10 10 ILE HG23 H 1 1.009 0.01 . 1 . . . . 10 I HG21 . 16967 1 107 . 1 1 10 10 ILE C C 13 174.734 0.3 . 1 . . . . 10 I C . 16967 1 108 . 1 1 10 10 ILE CA C 13 60.236 0.3 . 1 . . . . 10 I CA . 16967 1 109 . 1 1 10 10 ILE CB C 13 39.401 0.3 . 1 . . . . 10 I CB . 16967 1 110 . 1 1 10 10 ILE CD1 C 13 14.883 0.3 . 1 . . . . 10 I CD1 . 16967 1 111 . 1 1 10 10 ILE CG1 C 13 27.405 0.3 . 1 . . . . 10 I CG1 . 16967 1 112 . 1 1 10 10 ILE CG2 C 13 20.351 0.3 . 1 . . . . 10 I CG2 . 16967 1 113 . 1 1 10 10 ILE N N 15 126.248 0.3 . 1 . . . . 10 I N . 16967 1 114 . 1 1 11 11 HIS H H 1 8.616 0.01 . 1 . . . . 11 H HN . 16967 1 115 . 1 1 11 11 HIS HA H 1 5.092 0.01 . 1 . . . . 11 H HA . 16967 1 116 . 1 1 11 11 HIS HB2 H 1 2.971 0.01 . 2 . . . . 11 H HB1 . 16967 1 117 . 1 1 11 11 HIS HB3 H 1 3.085 0.01 . 2 . . . . 11 H HB2 . 16967 1 118 . 1 1 11 11 HIS HD2 H 1 6.949 0.01 . 1 . . . . 11 H HD2 . 16967 1 119 . 1 1 11 11 HIS HE1 H 1 7.635 0.01 . 1 . . . . 11 H HE1 . 16967 1 120 . 1 1 11 11 HIS C C 13 175.053 0.3 . 1 . . . . 11 H C . 16967 1 121 . 1 1 11 11 HIS CA C 13 55.638 0.3 . 1 . . . . 11 H CA . 16967 1 122 . 1 1 11 11 HIS CB C 13 31.565 0.3 . 1 . . . . 11 H CB . 16967 1 123 . 1 1 11 11 HIS CD2 C 13 120.559 0.3 . 1 . . . . 11 H CD2 . 16967 1 124 . 1 1 11 11 HIS CE1 C 13 138.026 0.3 . 1 . . . . 11 H CE1 . 16967 1 125 . 1 1 11 11 HIS N N 15 126.728 0.3 . 1 . . . . 11 H N . 16967 1 126 . 1 1 12 12 ARG H H 1 8.439 0.01 . 1 . . . . 12 R HN . 16967 1 127 . 1 1 12 12 ARG HA H 1 3.891 0.01 . 1 . . . . 12 R HA . 16967 1 128 . 1 1 12 12 ARG HB2 H 1 1.223 0.01 . 2 . . . . 12 R HB1 . 16967 1 129 . 1 1 12 12 ARG HB3 H 1 1.290 0.01 . 2 . . . . 12 R HB2 . 16967 1 130 . 1 1 12 12 ARG HD2 H 1 2.037 0.01 . 2 . . . . 12 R HD1 . 16967 1 131 . 1 1 12 12 ARG HD3 H 1 2.568 0.01 . 2 . . . . 12 R HD2 . 16967 1 132 . 1 1 12 12 ARG HG2 H 1 0.708 0.01 . 2 . . . . 12 R HG1 . 16967 1 133 . 1 1 12 12 ARG HG3 H 1 0.921 0.01 . 2 . . . . 12 R HG2 . 16967 1 134 . 1 1 12 12 ARG HH11 H 1 6.618 0.01 . 2 . . . . 12 R HH11 . 16967 1 135 . 1 1 12 12 ARG HH12 H 1 6.975 0.01 . 2 . . . . 12 R HH12 . 16967 1 136 . 1 1 12 12 ARG HH21 H 1 6.618 0.01 . 2 . . . . 12 R HH21 . 16967 1 137 . 1 1 12 12 ARG HH22 H 1 6.975 0.01 . 2 . . . . 12 R HH22 . 16967 1 138 . 1 1 12 12 ARG C C 13 175.214 0.3 . 1 . . . . 12 R C . 16967 1 139 . 1 1 12 12 ARG CA C 13 56.254 0.3 . 1 . . . . 12 R CA . 16967 1 140 . 1 1 12 12 ARG CB C 13 31.542 0.3 . 1 . . . . 12 R CB . 16967 1 141 . 1 1 12 12 ARG CD C 13 43.435 0.3 . 1 . . . . 12 R CD . 16967 1 142 . 1 1 12 12 ARG CG C 13 26.462 0.3 . 1 . . . . 12 R CG . 16967 1 143 . 1 1 12 12 ARG N N 15 122.705 0.3 . 1 . . . . 12 R N . 16967 1 144 . 1 1 12 12 ARG NH1 N 15 110.529 0.3 . 1 . . . . 12 R NH1 . 16967 1 145 . 1 1 12 12 ARG NH2 N 15 110.529 0.3 . 1 . . . . 12 R NH2 . 16967 1 146 . 1 1 13 13 ALA H H 1 8.288 0.01 . 1 . . . . 13 A HN . 16967 1 147 . 1 1 13 13 ALA HA H 1 4.538 0.01 . 1 . . . . 13 A HA . 16967 1 148 . 1 1 13 13 ALA HB1 H 1 1.323 0.01 . 1 . . . . 13 A HB1 . 16967 1 149 . 1 1 13 13 ALA HB2 H 1 1.323 0.01 . 1 . . . . 13 A HB1 . 16967 1 150 . 1 1 13 13 ALA HB3 H 1 1.323 0.01 . 1 . . . . 13 A HB1 . 16967 1 151 . 1 1 13 13 ALA CA C 13 51.820 0.3 . 1 . . . . 13 A CA . 16967 1 152 . 1 1 13 13 ALA CB C 13 19.694 0.3 . 1 . . . . 13 A CB . 16967 1 153 . 1 1 13 13 ALA N N 15 127.209 0.3 . 1 . . . . 13 A N . 16967 1 154 . 1 1 14 14 GLY H H 1 8.394 0.01 . 1 . . . . 14 G HN . 16967 1 155 . 1 1 14 14 GLY HA2 H 1 3.843 0.01 . 2 . . . . 14 G HA1 . 16967 1 156 . 1 1 14 14 GLY HA3 H 1 3.843 0.01 . 2 . . . . 14 G HA2 . 16967 1 157 . 1 1 14 14 GLY CA C 13 45.949 0.3 . 1 . . . . 14 G CA . 16967 1 158 . 1 1 14 14 GLY N N 15 111.454 0.3 . 1 . . . . 14 G N . 16967 1 159 . 1 1 15 15 LYS HA H 1 3.967 0.01 . 1 . . . . 15 K HA . 16967 1 160 . 1 1 15 15 LYS HB2 H 1 1.886 0.01 . 2 . . . . 15 K HB1 . 16967 1 161 . 1 1 15 15 LYS HB3 H 1 1.752 0.01 . 2 . . . . 15 K HB2 . 16967 1 162 . 1 1 15 15 LYS HD2 H 1 1.604 0.01 . 2 . . . . 15 K HD1 . 16967 1 163 . 1 1 15 15 LYS HD3 H 1 1.604 0.01 . 2 . . . . 15 K HD2 . 16967 1 164 . 1 1 15 15 LYS HE2 H 1 2.923 0.01 . 2 . . . . 15 K HE1 . 16967 1 165 . 1 1 15 15 LYS HE3 H 1 2.923 0.01 . 2 . . . . 15 K HE2 . 16967 1 166 . 1 1 15 15 LYS HG2 H 1 1.313 0.01 . 2 . . . . 15 K HG1 . 16967 1 167 . 1 1 15 15 LYS HG3 H 1 1.400 0.01 . 2 . . . . 15 K HG2 . 16967 1 168 . 1 1 15 15 LYS C C 13 176.377 0.3 . 1 . . . . 15 K C . 16967 1 169 . 1 1 15 15 LYS CA C 13 57.074 0.3 . 1 . . . . 15 K CA . 16967 1 170 . 1 1 15 15 LYS CB C 13 33.080 0.3 . 1 . . . . 15 K CB . 16967 1 171 . 1 1 15 15 LYS CD C 13 28.933 0.3 . 1 . . . . 15 K CD . 16967 1 172 . 1 1 15 15 LYS CE C 13 42.254 0.3 . 1 . . . . 15 K CE . 16967 1 173 . 1 1 15 15 LYS CG C 13 25.178 0.3 . 1 . . . . 15 K CG . 16967 1 174 . 1 1 16 16 LYS H H 1 7.576 0.01 . 1 . . . . 16 K HN . 16967 1 175 . 1 1 16 16 LYS HA H 1 4.582 0.01 . 1 . . . . 16 K HA . 16967 1 176 . 1 1 16 16 LYS HB2 H 1 1.747 0.01 . 2 . . . . 16 K HB1 . 16967 1 177 . 1 1 16 16 LYS HB3 H 1 1.896 0.01 . 2 . . . . 16 K HB2 . 16967 1 178 . 1 1 16 16 LYS HD2 H 1 1.379 0.01 . 2 . . . . 16 K HD1 . 16967 1 179 . 1 1 16 16 LYS HD3 H 1 1.379 0.01 . 2 . . . . 16 K HD2 . 16967 1 180 . 1 1 16 16 LYS HE2 H 1 2.854 0.01 . 2 . . . . 16 K HE1 . 16967 1 181 . 1 1 16 16 LYS HE3 H 1 2.854 0.01 . 2 . . . . 16 K HE2 . 16967 1 182 . 1 1 16 16 LYS HG2 H 1 1.215 0.01 . 2 . . . . 16 K HG1 . 16967 1 183 . 1 1 16 16 LYS HG3 H 1 1.215 0.01 . 2 . . . . 16 K HG2 . 16967 1 184 . 1 1 16 16 LYS C C 13 175.709 0.3 . 1 . . . . 16 K C . 16967 1 185 . 1 1 16 16 LYS CA C 13 54.591 0.3 . 1 . . . . 16 K CA . 16967 1 186 . 1 1 16 16 LYS CB C 13 35.295 0.3 . 1 . . . . 16 K CB . 16967 1 187 . 1 1 16 16 LYS CD C 13 28.631 0.3 . 1 . . . . 16 K CD . 16967 1 188 . 1 1 16 16 LYS CE C 13 41.989 0.3 . 1 . . . . 16 K CE . 16967 1 189 . 1 1 16 16 LYS CG C 13 24.408 0.3 . 1 . . . . 16 K CG . 16967 1 190 . 1 1 16 16 LYS N N 15 117.203 0.3 . 1 . . . . 16 K N . 16967 1 191 . 1 1 17 17 TYR H H 1 11.638 0.01 . 1 . . . . 17 Y HN . 16967 1 192 . 1 1 17 17 TYR HA H 1 4.385 0.01 . 1 . . . . 17 Y HA . 16967 1 193 . 1 1 17 17 TYR HB2 H 1 2.703 0.01 . 2 . . . . 17 Y HB1 . 16967 1 194 . 1 1 17 17 TYR HB3 H 1 3.053 0.01 . 2 . . . . 17 Y HB2 . 16967 1 195 . 1 1 17 17 TYR HD1 H 1 6.861 0.01 . 3 . . . . 17 Y HD1 . 16967 1 196 . 1 1 17 17 TYR HD2 H 1 6.861 0.01 . 3 . . . . 17 Y HD2 . 16967 1 197 . 1 1 17 17 TYR HE1 H 1 6.596 0.01 . 3 . . . . 17 Y HE1 . 16967 1 198 . 1 1 17 17 TYR HE2 H 1 6.596 0.01 . 3 . . . . 17 Y HE2 . 16967 1 199 . 1 1 17 17 TYR C C 13 177.000 0.3 . 1 . . . . 17 Y C . 16967 1 200 . 1 1 17 17 TYR CA C 13 60.663 0.3 . 1 . . . . 17 Y CA . 16967 1 201 . 1 1 17 17 TYR CB C 13 39.950 0.3 . 1 . . . . 17 Y CB . 16967 1 202 . 1 1 17 17 TYR CD1 C 13 132.350 0.3 . 3 . . . . 17 Y CD1 . 16967 1 203 . 1 1 17 17 TYR CD2 C 13 132.350 0.3 . 3 . . . . 17 Y CD2 . 16967 1 204 . 1 1 17 17 TYR CE1 C 13 119.215 0.3 . 3 . . . . 17 Y CE1 . 16967 1 205 . 1 1 17 17 TYR CE2 C 13 119.215 0.3 . 3 . . . . 17 Y CE2 . 16967 1 206 . 1 1 17 17 TYR N N 15 123.067 0.3 . 1 . . . . 17 Y N . 16967 1 207 . 1 1 18 18 GLY H H 1 9.492 0.01 . 1 . . . . 18 G HN . 16967 1 208 . 1 1 18 18 GLY HA2 H 1 4.044 0.01 . 2 . . . . 18 G HA1 . 16967 1 209 . 1 1 18 18 GLY HA3 H 1 4.235 0.01 . 2 . . . . 18 G HA2 . 16967 1 210 . 1 1 18 18 GLY C C 13 176.166 0.3 . 1 . . . . 18 G C . 16967 1 211 . 1 1 18 18 GLY CA C 13 47.025 0.3 . 1 . . . . 18 G CA . 16967 1 212 . 1 1 18 18 GLY N N 15 107.256 0.3 . 1 . . . . 18 G N . 16967 1 213 . 1 1 19 19 PHE H H 1 8.038 0.01 . 1 . . . . 19 F HN . 16967 1 214 . 1 1 19 19 PHE HA H 1 5.389 0.01 . 1 . . . . 19 F HA . 16967 1 215 . 1 1 19 19 PHE HB2 H 1 2.807 0.01 . 2 . . . . 19 F HB1 . 16967 1 216 . 1 1 19 19 PHE HB3 H 1 3.347 0.01 . 2 . . . . 19 F HB2 . 16967 1 217 . 1 1 19 19 PHE HD1 H 1 6.828 0.01 . 3 . . . . 19 F HD1 . 16967 1 218 . 1 1 19 19 PHE HD2 H 1 6.828 0.01 . 3 . . . . 19 F HD2 . 16967 1 219 . 1 1 19 19 PHE HE1 H 1 6.728 0.01 . 3 . . . . 19 F HE1 . 16967 1 220 . 1 1 19 19 PHE HE2 H 1 6.728 0.01 . 3 . . . . 19 F HE2 . 16967 1 221 . 1 1 19 19 PHE C C 13 171.388 0.3 . 1 . . . . 19 F C . 16967 1 222 . 1 1 19 19 PHE CA C 13 56.664 0.3 . 1 . . . . 19 F CA . 16967 1 223 . 1 1 19 19 PHE CB C 13 41.386 0.3 . 1 . . . . 19 F CB . 16967 1 224 . 1 1 19 19 PHE CD1 C 13 132.652 0.3 . 3 . . . . 19 F CD1 . 16967 1 225 . 1 1 19 19 PHE CD2 C 13 132.652 0.3 . 3 . . . . 19 F CD2 . 16967 1 226 . 1 1 19 19 PHE CE1 C 13 129.964 0.3 . 3 . . . . 19 F CE1 . 16967 1 227 . 1 1 19 19 PHE CE2 C 13 129.964 0.3 . 3 . . . . 19 F CE2 . 16967 1 228 . 1 1 19 19 PHE N N 15 117.713 0.3 . 1 . . . . 19 F N . 16967 1 229 . 1 1 20 20 THR H H 1 9.271 0.01 . 1 . . . . 20 T HN . 16967 1 230 . 1 1 20 20 THR HA H 1 5.058 0.01 . 1 . . . . 20 T HA . 16967 1 231 . 1 1 20 20 THR HB H 1 4.235 0.01 . 1 . . . . 20 T HB . 16967 1 232 . 1 1 20 20 THR HG21 H 1 1.264 0.01 . 1 . . . . 20 T HG21 . 16967 1 233 . 1 1 20 20 THR HG22 H 1 1.264 0.01 . 1 . . . . 20 T HG21 . 16967 1 234 . 1 1 20 20 THR HG23 H 1 1.264 0.01 . 1 . . . . 20 T HG21 . 16967 1 235 . 1 1 20 20 THR C C 13 173.367 0.3 . 1 . . . . 20 T C . 16967 1 236 . 1 1 20 20 THR CA C 13 61.073 0.3 . 1 . . . . 20 T CA . 16967 1 237 . 1 1 20 20 THR CB C 13 70.301 0.3 . 1 . . . . 20 T CB . 16967 1 238 . 1 1 20 20 THR CG2 C 13 23.720 0.3 . 1 . . . . 20 T CG2 . 16967 1 239 . 1 1 20 20 THR N N 15 115.710 0.3 . 1 . . . . 20 T N . 16967 1 240 . 1 1 21 21 LEU H H 1 9.170 0.01 . 1 . . . . 21 L HN . 16967 1 241 . 1 1 21 21 LEU HA H 1 5.367 0.01 . 1 . . . . 21 L HA . 16967 1 242 . 1 1 21 21 LEU HB2 H 1 1.495 0.01 . 2 . . . . 21 L HB1 . 16967 1 243 . 1 1 21 21 LEU HB3 H 1 1.863 0.01 . 2 . . . . 21 L HB2 . 16967 1 244 . 1 1 21 21 LEU HD11 H 1 0.875 0.01 . 1 . . . . 21 L HD11 . 16967 1 245 . 1 1 21 21 LEU HD12 H 1 0.875 0.01 . 1 . . . . 21 L HD11 . 16967 1 246 . 1 1 21 21 LEU HD13 H 1 0.875 0.01 . 1 . . . . 21 L HD11 . 16967 1 247 . 1 1 21 21 LEU HD21 H 1 0.740 0.01 . 1 . . . . 21 L HD21 . 16967 1 248 . 1 1 21 21 LEU HD22 H 1 0.740 0.01 . 1 . . . . 21 L HD21 . 16967 1 249 . 1 1 21 21 LEU HD23 H 1 0.740 0.01 . 1 . . . . 21 L HD21 . 16967 1 250 . 1 1 21 21 LEU HG H 1 1.756 0.01 . 1 . . . . 21 L HG . 16967 1 251 . 1 1 21 21 LEU C C 13 174.625 0.3 . 1 . . . . 21 L C . 16967 1 252 . 1 1 21 21 LEU CA C 13 53.793 0.3 . 1 . . . . 21 L CA . 16967 1 253 . 1 1 21 21 LEU CB C 13 45.970 0.3 . 1 . . . . 21 L CB . 16967 1 254 . 1 1 21 21 LEU CD1 C 13 25.912 0.3 . 1 . . . . 21 L CD1 . 16967 1 255 . 1 1 21 21 LEU CD2 C 13 26.584 0.3 . 1 . . . . 21 L CD2 . 16967 1 256 . 1 1 21 21 LEU CG C 13 26.410 0.3 . 1 . . . . 21 L CG . 16967 1 257 . 1 1 21 21 LEU N N 15 130.286 0.3 . 1 . . . . 21 L N . 16967 1 258 . 1 1 22 22 ARG H H 1 9.302 0.01 . 1 . . . . 22 R HN . 16967 1 259 . 1 1 22 22 ARG HA H 1 5.354 0.01 . 1 . . . . 22 R HA . 16967 1 260 . 1 1 22 22 ARG HB2 H 1 1.257 0.01 . 2 . . . . 22 R HB1 . 16967 1 261 . 1 1 22 22 ARG HB3 H 1 1.481 0.01 . 2 . . . . 22 R HB2 . 16967 1 262 . 1 1 22 22 ARG HD2 H 1 1.484 0.01 . 2 . . . . 22 R HD1 . 16967 1 263 . 1 1 22 22 ARG HD3 H 1 1.848 0.01 . 2 . . . . 22 R HD2 . 16967 1 264 . 1 1 22 22 ARG HG2 H 1 0.743 0.01 . 2 . . . . 22 R HG1 . 16967 1 265 . 1 1 22 22 ARG HG3 H 1 0.874 0.01 . 2 . . . . 22 R HG2 . 16967 1 266 . 1 1 22 22 ARG C C 13 174.986 0.3 . 1 . . . . 22 R C . 16967 1 267 . 1 1 22 22 ARG CA C 13 54.283 0.3 . 1 . . . . 22 R CA . 16967 1 268 . 1 1 22 22 ARG CB C 13 35.911 0.3 . 1 . . . . 22 R CB . 16967 1 269 . 1 1 22 22 ARG CD C 13 45.831 0.3 . 1 . . . . 22 R CD . 16967 1 270 . 1 1 22 22 ARG CG C 13 26.992 0.3 . 1 . . . . 22 R CG . 16967 1 271 . 1 1 22 22 ARG N N 15 123.946 0.3 . 1 . . . . 22 R N . 16967 1 272 . 1 1 23 23 ALA H H 1 8.394 0.01 . 1 . . . . 23 A HN . 16967 1 273 . 1 1 23 23 ALA HA H 1 5.278 0.01 . 1 . . . . 23 A HA . 16967 1 274 . 1 1 23 23 ALA HB1 H 1 1.415 0.01 . 1 . . . . 23 A HB1 . 16967 1 275 . 1 1 23 23 ALA HB2 H 1 1.415 0.01 . 1 . . . . 23 A HB1 . 16967 1 276 . 1 1 23 23 ALA HB3 H 1 1.415 0.01 . 1 . . . . 23 A HB1 . 16967 1 277 . 1 1 23 23 ALA C C 13 176.110 0.3 . 1 . . . . 23 A C . 16967 1 278 . 1 1 23 23 ALA CA C 13 51.229 0.3 . 1 . . . . 23 A CA . 16967 1 279 . 1 1 23 23 ALA CB C 13 20.468 0.3 . 1 . . . . 23 A CB . 16967 1 280 . 1 1 23 23 ALA N N 15 130.104 0.3 . 1 . . . . 23 A N . 16967 1 281 . 1 1 24 24 ILE H H 1 8.858 0.01 . 1 . . . . 24 I HN . 16967 1 282 . 1 1 24 24 ILE HA H 1 4.542 0.01 . 1 . . . . 24 I HA . 16967 1 283 . 1 1 24 24 ILE HB H 1 1.686 0.01 . 1 . . . . 24 I HB . 16967 1 284 . 1 1 24 24 ILE HD11 H 1 0.691 0.01 . 1 . . . . 24 I HD11 . 16967 1 285 . 1 1 24 24 ILE HD12 H 1 0.691 0.01 . 1 . . . . 24 I HD11 . 16967 1 286 . 1 1 24 24 ILE HD13 H 1 0.691 0.01 . 1 . . . . 24 I HD11 . 16967 1 287 . 1 1 24 24 ILE HG12 H 1 0.918 0.01 . 2 . . . . 24 I HG11 . 16967 1 288 . 1 1 24 24 ILE HG13 H 1 1.342 0.01 . 2 . . . . 24 I HG12 . 16967 1 289 . 1 1 24 24 ILE HG21 H 1 0.727 0.01 . 1 . . . . 24 I HG21 . 16967 1 290 . 1 1 24 24 ILE HG22 H 1 0.727 0.01 . 1 . . . . 24 I HG21 . 16967 1 291 . 1 1 24 24 ILE HG23 H 1 0.727 0.01 . 1 . . . . 24 I HG21 . 16967 1 292 . 1 1 24 24 ILE C C 13 175.858 0.3 . 1 . . . . 24 I C . 16967 1 293 . 1 1 24 24 ILE CA C 13 59.005 0.3 . 1 . . . . 24 I CA . 16967 1 294 . 1 1 24 24 ILE CB C 13 41.455 0.3 . 1 . . . . 24 I CB . 16967 1 295 . 1 1 24 24 ILE CD1 C 13 13.641 0.3 . 1 . . . . 24 I CD1 . 16967 1 296 . 1 1 24 24 ILE CG1 C 13 26.802 0.3 . 1 . . . . 24 I CG1 . 16967 1 297 . 1 1 24 24 ILE CG2 C 13 17.704 0.3 . 1 . . . . 24 I CG2 . 16967 1 298 . 1 1 24 24 ILE N N 15 120.356 0.3 . 1 . . . . 24 I N . 16967 1 299 . 1 1 25 25 ARG H H 1 8.768 0.01 . 1 . . . . 25 R HN . 16967 1 300 . 1 1 25 25 ARG HA H 1 4.610 0.01 . 1 . . . . 25 R HA . 16967 1 301 . 1 1 25 25 ARG HB2 H 1 0.845 0.01 . 2 . . . . 25 R HB1 . 16967 1 302 . 1 1 25 25 ARG HB3 H 1 1.405 0.01 . 2 . . . . 25 R HB2 . 16967 1 303 . 1 1 25 25 ARG HD2 H 1 1.540 0.01 . 2 . . . . 25 R HD1 . 16967 1 304 . 1 1 25 25 ARG HD3 H 1 2.184 0.01 . 2 . . . . 25 R HD2 . 16967 1 305 . 1 1 25 25 ARG HG2 H 1 1.212 0.01 . 2 . . . . 25 R HG1 . 16967 1 306 . 1 1 25 25 ARG HG3 H 1 1.212 0.01 . 2 . . . . 25 R HG2 . 16967 1 307 . 1 1 25 25 ARG C C 13 175.489 0.3 . 1 . . . . 25 R C . 16967 1 308 . 1 1 25 25 ARG CA C 13 55.638 0.3 . 1 . . . . 25 R CA . 16967 1 309 . 1 1 25 25 ARG CB C 13 31.747 0.3 . 1 . . . . 25 R CB . 16967 1 310 . 1 1 25 25 ARG CD C 13 43.080 0.3 . 1 . . . . 25 R CD . 16967 1 311 . 1 1 25 25 ARG CG C 13 27.080 0.3 . 1 . . . . 25 R CG . 16967 1 312 . 1 1 25 25 ARG N N 15 122.092 0.3 . 1 . . . . 25 R N . 16967 1 313 . 1 1 26 26 VAL H H 1 8.722 0.01 . 1 . . . . 26 V HN . 16967 1 314 . 1 1 26 26 VAL HA H 1 4.251 0.01 . 1 . . . . 26 V HA . 16967 1 315 . 1 1 26 26 VAL HB H 1 1.773 0.01 . 1 . . . . 26 V HB . 16967 1 316 . 1 1 26 26 VAL HG11 H 1 0.753 0.01 . 1 . . . . 26 V HG11 . 16967 1 317 . 1 1 26 26 VAL HG12 H 1 0.753 0.01 . 1 . . . . 26 V HG11 . 16967 1 318 . 1 1 26 26 VAL HG13 H 1 0.753 0.01 . 1 . . . . 26 V HG11 . 16967 1 319 . 1 1 26 26 VAL HG21 H 1 0.532 0.01 . 1 . . . . 26 V HG21 . 16967 1 320 . 1 1 26 26 VAL HG22 H 1 0.532 0.01 . 1 . . . . 26 V HG21 . 16967 1 321 . 1 1 26 26 VAL HG23 H 1 0.532 0.01 . 1 . . . . 26 V HG21 . 16967 1 322 . 1 1 26 26 VAL C C 13 175.641 0.3 . 1 . . . . 26 V C . 16967 1 323 . 1 1 26 26 VAL CA C 13 61.483 0.3 . 1 . . . . 26 V CA . 16967 1 324 . 1 1 26 26 VAL CB C 13 33.593 0.3 . 1 . . . . 26 V CB . 16967 1 325 . 1 1 26 26 VAL CG1 C 13 20.986 0.3 . 1 . . . . 26 V CG1 . 16967 1 326 . 1 1 26 26 VAL CG2 C 13 20.491 0.3 . 1 . . . . 26 V CG2 . 16967 1 327 . 1 1 26 26 VAL N N 15 124.134 0.3 . 1 . . . . 26 V N . 16967 1 328 . 1 1 27 27 TYR H H 1 8.935 0.01 . 1 . . . . 27 Y HN . 16967 1 329 . 1 1 27 27 TYR HA H 1 4.589 0.01 . 1 . . . . 27 Y HA . 16967 1 330 . 1 1 27 27 TYR HB2 H 1 2.813 0.01 . 2 . . . . 27 Y HB1 . 16967 1 331 . 1 1 27 27 TYR HB3 H 1 2.960 0.01 . 2 . . . . 27 Y HB2 . 16967 1 332 . 1 1 27 27 TYR HD1 H 1 6.982 0.01 . 3 . . . . 27 Y HD1 . 16967 1 333 . 1 1 27 27 TYR HD2 H 1 6.982 0.01 . 3 . . . . 27 Y HD2 . 16967 1 334 . 1 1 27 27 TYR HE1 H 1 6.576 0.01 . 3 . . . . 27 Y HE1 . 16967 1 335 . 1 1 27 27 TYR HE2 H 1 6.576 0.01 . 3 . . . . 27 Y HE2 . 16967 1 336 . 1 1 27 27 TYR C C 13 176.257 0.3 . 1 . . . . 27 Y C . 16967 1 337 . 1 1 27 27 TYR CA C 13 58.509 0.3 . 1 . . . . 27 Y CA . 16967 1 338 . 1 1 27 27 TYR CB C 13 39.232 0.3 . 1 . . . . 27 Y CB . 16967 1 339 . 1 1 27 27 TYR CD1 C 13 133.324 0.3 . 3 . . . . 27 Y CD1 . 16967 1 340 . 1 1 27 27 TYR CD2 C 13 133.324 0.3 . 3 . . . . 27 Y CD2 . 16967 1 341 . 1 1 27 27 TYR CE1 C 13 117.872 0.3 . 3 . . . . 27 Y CE1 . 16967 1 342 . 1 1 27 27 TYR CE2 C 13 117.872 0.3 . 3 . . . . 27 Y CE2 . 16967 1 343 . 1 1 27 27 TYR N N 15 127.841 0.3 . 1 . . . . 27 Y N . 16967 1 344 . 1 1 28 28 MET H H 1 8.640 0.01 . 1 . . . . 28 M HN . 16967 1 345 . 1 1 28 28 MET HA H 1 4.557 0.01 . 1 . . . . 28 M HA . 16967 1 346 . 1 1 28 28 MET HB2 H 1 1.878 0.01 . 2 . . . . 28 M HB1 . 16967 1 347 . 1 1 28 28 MET HB3 H 1 2.021 0.01 . 2 . . . . 28 M HB2 . 16967 1 348 . 1 1 28 28 MET HG2 H 1 2.405 0.01 . 2 . . . . 28 M HG1 . 16967 1 349 . 1 1 28 28 MET HG3 H 1 2.510 0.01 . 2 . . . . 28 M HG2 . 16967 1 350 . 1 1 28 28 MET C C 13 176.260 0.3 . 1 . . . . 28 M C . 16967 1 351 . 1 1 28 28 MET CA C 13 54.283 0.3 . 1 . . . . 28 M CA . 16967 1 352 . 1 1 28 28 MET CB C 13 32.113 0.3 . 1 . . . . 28 M CB . 16967 1 353 . 1 1 28 28 MET CG C 13 32.177 0.3 . 1 . . . . 28 M CG . 16967 1 354 . 1 1 28 28 MET N N 15 122.450 0.3 . 1 . . . . 28 M N . 16967 1 355 . 1 1 29 29 GLY H H 1 8.474 0.01 . 1 . . . . 29 G HN . 16967 1 356 . 1 1 29 29 GLY HA2 H 1 3.756 0.01 . 2 . . . . 29 G HA1 . 16967 1 357 . 1 1 29 29 GLY HA3 H 1 3.878 0.01 . 2 . . . . 29 G HA2 . 16967 1 358 . 1 1 29 29 GLY C C 13 175.002 0.3 . 1 . . . . 29 G C . 16967 1 359 . 1 1 29 29 GLY CA C 13 46.688 0.3 . 1 . . . . 29 G CA . 16967 1 360 . 1 1 29 29 GLY N N 15 113.621 0.3 . 1 . . . . 29 G N . 16967 1 361 . 1 1 30 30 ASP H H 1 8.447 0.01 . 1 . . . . 30 D HN . 16967 1 362 . 1 1 30 30 ASP HA H 1 4.651 0.01 . 1 . . . . 30 D HA . 16967 1 363 . 1 1 30 30 ASP HB2 H 1 2.619 0.01 . 2 . . . . 30 D HB1 . 16967 1 364 . 1 1 30 30 ASP HB3 H 1 2.688 0.01 . 2 . . . . 30 D HB2 . 16967 1 365 . 1 1 30 30 ASP CA C 13 53.895 0.3 . 1 . . . . 30 D CA . 16967 1 366 . 1 1 30 30 ASP CB C 13 40.632 0.3 . 1 . . . . 30 D CB . 16967 1 367 . 1 1 30 30 ASP N N 15 122.728 0.3 . 1 . . . . 30 D N . 16967 1 368 . 1 1 31 31 SER H H 1 7.933 0.01 . 1 . . . . 31 S HN . 16967 1 369 . 1 1 31 31 SER HA H 1 4.516 0.01 . 1 . . . . 31 S HA . 16967 1 370 . 1 1 31 31 SER HB2 H 1 3.892 0.01 . 2 . . . . 31 S HB1 . 16967 1 371 . 1 1 31 31 SER HB3 H 1 4.046 0.01 . 2 . . . . 31 S HB2 . 16967 1 372 . 1 1 31 31 SER C C 13 173.371 0.3 . 1 . . . . 31 S C . 16967 1 373 . 1 1 31 31 SER CA C 13 58.304 0.3 . 1 . . . . 31 S CA . 16967 1 374 . 1 1 31 31 SER CB C 13 65.277 0.3 . 1 . . . . 31 S CB . 16967 1 375 . 1 1 31 31 SER N N 15 114.933 0.3 . 1 . . . . 31 S N . 16967 1 376 . 1 1 32 32 ASP H H 1 8.459 0.01 . 1 . . . . 32 D HN . 16967 1 377 . 1 1 32 32 ASP HA H 1 4.749 0.01 . 1 . . . . 32 D HA . 16967 1 378 . 1 1 32 32 ASP HB2 H 1 2.727 0.01 . 2 . . . . 32 D HB1 . 16967 1 379 . 1 1 32 32 ASP HB3 H 1 2.786 0.01 . 2 . . . . 32 D HB2 . 16967 1 380 . 1 1 32 32 ASP C C 13 175.618 0.3 . 1 . . . . 32 D C . 16967 1 381 . 1 1 32 32 ASP CA C 13 54.100 0.3 . 1 . . . . 32 D CA . 16967 1 382 . 1 1 32 32 ASP CB C 13 40.668 0.3 . 1 . . . . 32 D CB . 16967 1 383 . 1 1 32 32 ASP N N 15 119.135 0.3 . 1 . . . . 32 D N . 16967 1 384 . 1 1 33 33 VAL H H 1 7.930 0.01 . 1 . . . . 33 V HN . 16967 1 385 . 1 1 33 33 VAL HA H 1 4.024 0.01 . 1 . . . . 33 V HA . 16967 1 386 . 1 1 33 33 VAL HB H 1 1.922 0.01 . 1 . . . . 33 V HB . 16967 1 387 . 1 1 33 33 VAL HG11 H 1 0.865 0.01 . 1 . . . . 33 V HG11 . 16967 1 388 . 1 1 33 33 VAL HG12 H 1 0.865 0.01 . 1 . . . . 33 V HG11 . 16967 1 389 . 1 1 33 33 VAL HG13 H 1 0.865 0.01 . 1 . . . . 33 V HG11 . 16967 1 390 . 1 1 33 33 VAL HG21 H 1 0.787 0.01 . 1 . . . . 33 V HG21 . 16967 1 391 . 1 1 33 33 VAL HG22 H 1 0.787 0.01 . 1 . . . . 33 V HG21 . 16967 1 392 . 1 1 33 33 VAL HG23 H 1 0.787 0.01 . 1 . . . . 33 V HG21 . 16967 1 393 . 1 1 33 33 VAL C C 13 175.083 0.3 . 1 . . . . 33 V C . 16967 1 394 . 1 1 33 33 VAL CA C 13 62.201 0.3 . 1 . . . . 33 V CA . 16967 1 395 . 1 1 33 33 VAL CB C 13 33.140 0.3 . 1 . . . . 33 V CB . 16967 1 396 . 1 1 33 33 VAL CG1 C 13 21.060 0.3 . 1 . . . . 33 V CG1 . 16967 1 397 . 1 1 33 33 VAL CG2 C 13 21.060 0.3 . 1 . . . . 33 V CG2 . 16967 1 398 . 1 1 33 33 VAL N N 15 120.266 0.3 . 1 . . . . 33 V N . 16967 1 399 . 1 1 34 34 TYR H H 1 7.603 0.01 . 1 . . . . 34 Y HN . 16967 1 400 . 1 1 34 34 TYR HA H 1 5.083 0.01 . 1 . . . . 34 Y HA . 16967 1 401 . 1 1 34 34 TYR HB2 H 1 1.680 0.01 . 2 . . . . 34 Y HB1 . 16967 1 402 . 1 1 34 34 TYR HB3 H 1 2.129 0.01 . 2 . . . . 34 Y HB2 . 16967 1 403 . 1 1 34 34 TYR HD1 H 1 6.603 0.01 . 3 . . . . 34 Y HD1 . 16967 1 404 . 1 1 34 34 TYR HD2 H 1 6.603 0.01 . 3 . . . . 34 Y HD2 . 16967 1 405 . 1 1 34 34 TYR HE1 H 1 6.607 0.01 . 3 . . . . 34 Y HE1 . 16967 1 406 . 1 1 34 34 TYR HE2 H 1 6.607 0.01 . 3 . . . . 34 Y HE2 . 16967 1 407 . 1 1 34 34 TYR CA C 13 55.433 0.3 . 1 . . . . 34 Y CA . 16967 1 408 . 1 1 34 34 TYR CB C 13 40.258 0.3 . 1 . . . . 34 Y CB . 16967 1 409 . 1 1 34 34 TYR CD1 C 13 133.324 0.3 . 3 . . . . 34 Y CD1 . 16967 1 410 . 1 1 34 34 TYR CD2 C 13 133.324 0.3 . 3 . . . . 34 Y CD2 . 16967 1 411 . 1 1 34 34 TYR CE1 C 13 117.872 0.3 . 3 . . . . 34 Y CE1 . 16967 1 412 . 1 1 34 34 TYR CE2 C 13 117.872 0.3 . 3 . . . . 34 Y CE2 . 16967 1 413 . 1 1 34 34 TYR N N 15 121.062 0.3 . 1 . . . . 34 Y N . 16967 1 414 . 1 1 35 35 THR H H 1 8.519 0.01 . 1 . . . . 35 T HN . 16967 1 415 . 1 1 35 35 THR HA H 1 4.405 0.01 . 1 . . . . 35 T HA . 16967 1 416 . 1 1 35 35 THR HB H 1 3.862 0.01 . 1 . . . . 35 T HB . 16967 1 417 . 1 1 35 35 THR HG21 H 1 0.952 0.01 . 1 . . . . 35 T HG21 . 16967 1 418 . 1 1 35 35 THR HG22 H 1 0.952 0.01 . 1 . . . . 35 T HG21 . 16967 1 419 . 1 1 35 35 THR HG23 H 1 0.952 0.01 . 1 . . . . 35 T HG21 . 16967 1 420 . 1 1 35 35 THR C C 13 172.966 0.3 . 1 . . . . 35 T C . 16967 1 421 . 1 1 35 35 THR CA C 13 60.355 0.3 . 1 . . . . 35 T CA . 16967 1 422 . 1 1 35 35 THR CB C 13 71.142 0.3 . 1 . . . . 35 T CB . 16967 1 423 . 1 1 35 35 THR CG2 C 13 21.250 0.3 . 1 . . . . 35 T CG2 . 16967 1 424 . 1 1 35 35 THR N N 15 114.866 0.3 . 1 . . . . 35 T N . 16967 1 425 . 1 1 36 36 VAL H H 1 8.311 0.01 . 1 . . . . 36 V HN . 16967 1 426 . 1 1 36 36 VAL HA H 1 4.694 0.01 . 1 . . . . 36 V HA . 16967 1 427 . 1 1 36 36 VAL HB H 1 1.816 0.01 . 1 . . . . 36 V HB . 16967 1 428 . 1 1 36 36 VAL HG11 H 1 0.902 0.01 . 1 . . . . 36 V HG11 . 16967 1 429 . 1 1 36 36 VAL HG12 H 1 0.902 0.01 . 1 . . . . 36 V HG11 . 16967 1 430 . 1 1 36 36 VAL HG13 H 1 0.902 0.01 . 1 . . . . 36 V HG11 . 16967 1 431 . 1 1 36 36 VAL HG21 H 1 0.629 0.01 . 1 . . . . 36 V HG21 . 16967 1 432 . 1 1 36 36 VAL HG22 H 1 0.629 0.01 . 1 . . . . 36 V HG21 . 16967 1 433 . 1 1 36 36 VAL HG23 H 1 0.629 0.01 . 1 . . . . 36 V HG21 . 16967 1 434 . 1 1 36 36 VAL C C 13 175.207 0.3 . 1 . . . . 36 V C . 16967 1 435 . 1 1 36 36 VAL CA C 13 61.791 0.3 . 1 . . . . 36 V CA . 16967 1 436 . 1 1 36 36 VAL CB C 13 33.182 0.3 . 1 . . . . 36 V CB . 16967 1 437 . 1 1 36 36 VAL CG1 C 13 21.994 0.3 . 1 . . . . 36 V CG1 . 16967 1 438 . 1 1 36 36 VAL CG2 C 13 21.632 0.3 . 1 . . . . 36 V CG2 . 16967 1 439 . 1 1 36 36 VAL N N 15 124.498 0.3 . 1 . . . . 36 V N . 16967 1 440 . 1 1 37 37 HIS H H 1 8.888 0.01 . 1 . . . . 37 H HN . 16967 1 441 . 1 1 37 37 HIS HA H 1 4.656 0.01 . 1 . . . . 37 H HA . 16967 1 442 . 1 1 37 37 HIS HB2 H 1 2.628 0.01 . 2 . . . . 37 H HB1 . 16967 1 443 . 1 1 37 37 HIS HB3 H 1 2.949 0.01 . 2 . . . . 37 H HB2 . 16967 1 444 . 1 1 37 37 HIS HD2 H 1 6.638 0.01 . 1 . . . . 37 H HD2 . 16967 1 445 . 1 1 37 37 HIS C C 13 173.553 0.3 . 1 . . . . 37 H C . 16967 1 446 . 1 1 37 37 HIS CA C 13 53.793 0.3 . 1 . . . . 37 H CA . 16967 1 447 . 1 1 37 37 HIS CB C 13 34.208 0.3 . 1 . . . . 37 H CB . 16967 1 448 . 1 1 37 37 HIS CD2 C 13 119.887 0.3 . 1 . . . . 37 H CD2 . 16967 1 449 . 1 1 37 37 HIS N N 15 126.041 0.3 . 1 . . . . 37 H N . 16967 1 450 . 1 1 38 38 HIS H H 1 9.392 0.01 . 1 . . . . 38 H HN . 16967 1 451 . 1 1 38 38 HIS HA H 1 4.944 0.01 . 1 . . . . 38 H HA . 16967 1 452 . 1 1 38 38 HIS HB2 H 1 2.711 0.01 . 2 . . . . 38 H HB1 . 16967 1 453 . 1 1 38 38 HIS HB3 H 1 3.085 0.01 . 2 . . . . 38 H HB2 . 16967 1 454 . 1 1 38 38 HIS HD2 H 1 6.931 0.01 . 1 . . . . 38 H HD2 . 16967 1 455 . 1 1 38 38 HIS HE1 H 1 7.118 0.01 . 1 . . . . 38 H HE1 . 16967 1 456 . 1 1 38 38 HIS C C 13 173.292 0.3 . 1 . . . . 38 H C . 16967 1 457 . 1 1 38 38 HIS CA C 13 55.843 0.3 . 1 . . . . 38 H CA . 16967 1 458 . 1 1 38 38 HIS CB C 13 31.703 0.3 . 1 . . . . 38 H CB . 16967 1 459 . 1 1 38 38 HIS CD2 C 13 119.887 0.3 . 1 . . . . 38 H CD2 . 16967 1 460 . 1 1 38 38 HIS CE1 C 13 137.620 0.3 . 1 . . . . 38 H CE1 . 16967 1 461 . 1 1 38 38 HIS N N 15 122.500 0.3 . 1 . . . . 38 H N . 16967 1 462 . 1 1 39 39 MET H H 1 9.081 0.01 . 1 . . . . 39 M HN . 16967 1 463 . 1 1 39 39 MET HA H 1 5.201 0.01 . 1 . . . . 39 M HA . 16967 1 464 . 1 1 39 39 MET HB2 H 1 1.927 0.01 . 2 . . . . 39 M HB1 . 16967 1 465 . 1 1 39 39 MET HB3 H 1 1.987 0.01 . 2 . . . . 39 M HB2 . 16967 1 466 . 1 1 39 39 MET HE1 H 1 2.109 0.01 . 1 . . . . 39 M HE1 . 16967 1 467 . 1 1 39 39 MET HE2 H 1 2.109 0.01 . 1 . . . . 39 M HE1 . 16967 1 468 . 1 1 39 39 MET HE3 H 1 2.109 0.01 . 1 . . . . 39 M HE1 . 16967 1 469 . 1 1 39 39 MET HG2 H 1 2.372 0.01 . 2 . . . . 39 M HG1 . 16967 1 470 . 1 1 39 39 MET HG3 H 1 2.372 0.01 . 2 . . . . 39 M HG2 . 16967 1 471 . 1 1 39 39 MET C C 13 175.524 0.3 . 1 . . . . 39 M C . 16967 1 472 . 1 1 39 39 MET CA C 13 54.203 0.3 . 1 . . . . 39 M CA . 16967 1 473 . 1 1 39 39 MET CB C 13 37.489 0.3 . 1 . . . . 39 M CB . 16967 1 474 . 1 1 39 39 MET CE C 13 17.823 0.3 . 1 . . . . 39 M CE . 16967 1 475 . 1 1 39 39 MET CG C 13 31.458 0.3 . 1 . . . . 39 M CG . 16967 1 476 . 1 1 39 39 MET N N 15 122.698 0.3 . 1 . . . . 39 M N . 16967 1 477 . 1 1 40 40 VAL H H 1 9.106 0.01 . 1 . . . . 40 V HN . 16967 1 478 . 1 1 40 40 VAL HA H 1 4.178 0.01 . 1 . . . . 40 V HA . 16967 1 479 . 1 1 40 40 VAL HB H 1 2.396 0.01 . 1 . . . . 40 V HB . 16967 1 480 . 1 1 40 40 VAL HG11 H 1 0.700 0.01 . 1 . . . . 40 V HG11 . 16967 1 481 . 1 1 40 40 VAL HG12 H 1 0.700 0.01 . 1 . . . . 40 V HG11 . 16967 1 482 . 1 1 40 40 VAL HG13 H 1 0.700 0.01 . 1 . . . . 40 V HG11 . 16967 1 483 . 1 1 40 40 VAL HG21 H 1 0.612 0.01 . 1 . . . . 40 V HG21 . 16967 1 484 . 1 1 40 40 VAL HG22 H 1 0.612 0.01 . 1 . . . . 40 V HG21 . 16967 1 485 . 1 1 40 40 VAL HG23 H 1 0.612 0.01 . 1 . . . . 40 V HG21 . 16967 1 486 . 1 1 40 40 VAL C C 13 174.359 0.3 . 1 . . . . 40 V C . 16967 1 487 . 1 1 40 40 VAL CA C 13 63.124 0.3 . 1 . . . . 40 V CA . 16967 1 488 . 1 1 40 40 VAL CB C 13 30.311 0.3 . 1 . . . . 40 V CB . 16967 1 489 . 1 1 40 40 VAL CG1 C 13 20.517 0.3 . 1 . . . . 40 V CG1 . 16967 1 490 . 1 1 40 40 VAL CG2 C 13 22.909 0.3 . 1 . . . . 40 V CG2 . 16967 1 491 . 1 1 40 40 VAL N N 15 124.210 0.3 . 1 . . . . 40 V N . 16967 1 492 . 1 1 41 41 TRP H H 1 9.322 0.01 . 1 . . . . 41 W HN . 16967 1 493 . 1 1 41 41 TRP HA H 1 4.730 0.01 . 1 . . . . 41 W HA . 16967 1 494 . 1 1 41 41 TRP HB2 H 1 2.867 0.01 . 2 . . . . 41 W HB1 . 16967 1 495 . 1 1 41 41 TRP HB3 H 1 3.134 0.01 . 2 . . . . 41 W HB2 . 16967 1 496 . 1 1 41 41 TRP HD1 H 1 7.074 0.01 . 1 . . . . 41 W HD1 . 16967 1 497 . 1 1 41 41 TRP HE1 H 1 10.342 0.01 . 1 . . . . 41 W HE1 . 16967 1 498 . 1 1 41 41 TRP HE3 H 1 7.458 0.01 . 1 . . . . 41 W HE3 . 16967 1 499 . 1 1 41 41 TRP HH2 H 1 7.227 0.01 . 1 . . . . 41 W HH2 . 16967 1 500 . 1 1 41 41 TRP HZ2 H 1 7.484 0.01 . 1 . . . . 41 W HZ2 . 16967 1 501 . 1 1 41 41 TRP HZ3 H 1 7.156 0.01 . 1 . . . . 41 W HZ3 . 16967 1 502 . 1 1 41 41 TRP C C 13 174.419 0.3 . 1 . . . . 41 W C . 16967 1 503 . 1 1 41 41 TRP CA C 13 57.587 0.3 . 1 . . . . 41 W CA . 16967 1 504 . 1 1 41 41 TRP CB C 13 33.182 0.3 . 1 . . . . 41 W CB . 16967 1 505 . 1 1 41 41 TRP CD1 C 13 127.277 0.3 . 1 . . . . 41 W CD1 . 16967 1 506 . 1 1 41 41 TRP CE3 C 13 120.550 0.3 . 1 . . . . 41 W CE3 . 16967 1 507 . 1 1 41 41 TRP CH2 C 13 125.262 0.3 . 1 . . . . 41 W CH2 . 16967 1 508 . 1 1 41 41 TRP CZ2 C 13 115.184 0.3 . 1 . . . . 41 W CZ2 . 16967 1 509 . 1 1 41 41 TRP CZ3 C 13 122.574 0.3 . 1 . . . . 41 W CZ3 . 16967 1 510 . 1 1 41 41 TRP N N 15 134.127 0.3 . 1 . . . . 41 W N . 16967 1 511 . 1 1 41 41 TRP NE1 N 15 129.930 0.3 . 1 . . . . 41 W NE1 . 16967 1 512 . 1 1 42 42 HIS H H 1 7.683 0.01 . 1 . . . . 42 H HN . 16967 1 513 . 1 1 42 42 HIS HA H 1 4.449 0.01 . 1 . . . . 42 H HA . 16967 1 514 . 1 1 42 42 HIS HB2 H 1 2.735 0.01 . 2 . . . . 42 H HB1 . 16967 1 515 . 1 1 42 42 HIS HB3 H 1 2.951 0.01 . 2 . . . . 42 H HB2 . 16967 1 516 . 1 1 42 42 HIS C C 13 172.970 0.3 . 1 . . . . 42 H C . 16967 1 517 . 1 1 42 42 HIS CA C 13 56.356 0.3 . 1 . . . . 42 H CA . 16967 1 518 . 1 1 42 42 HIS CB C 13 34.721 0.3 . 1 . . . . 42 H CB . 16967 1 519 . 1 1 42 42 HIS N N 15 114.793 0.3 . 1 . . . . 42 H N . 16967 1 520 . 1 1 43 43 VAL H H 1 7.904 0.01 . 1 . . . . 43 V HN . 16967 1 521 . 1 1 43 43 VAL HA H 1 4.161 0.01 . 1 . . . . 43 V HA . 16967 1 522 . 1 1 43 43 VAL HB H 1 1.697 0.01 . 1 . . . . 43 V HB . 16967 1 523 . 1 1 43 43 VAL HG11 H 1 0.733 0.01 . 1 . . . . 43 V HG11 . 16967 1 524 . 1 1 43 43 VAL HG12 H 1 0.733 0.01 . 1 . . . . 43 V HG11 . 16967 1 525 . 1 1 43 43 VAL HG13 H 1 0.733 0.01 . 1 . . . . 43 V HG11 . 16967 1 526 . 1 1 43 43 VAL HG21 H 1 0.526 0.01 . 1 . . . . 43 V HG21 . 16967 1 527 . 1 1 43 43 VAL HG22 H 1 0.526 0.01 . 1 . . . . 43 V HG21 . 16967 1 528 . 1 1 43 43 VAL HG23 H 1 0.526 0.01 . 1 . . . . 43 V HG21 . 16967 1 529 . 1 1 43 43 VAL C C 13 174.145 0.3 . 1 . . . . 43 V C . 16967 1 530 . 1 1 43 43 VAL CA C 13 61.879 0.3 . 1 . . . . 43 V CA . 16967 1 531 . 1 1 43 43 VAL CB C 13 34.208 0.3 . 1 . . . . 43 V CB . 16967 1 532 . 1 1 43 43 VAL CG1 C 13 21.589 0.3 . 1 . . . . 43 V CG1 . 16967 1 533 . 1 1 43 43 VAL CG2 C 13 21.589 0.3 . 1 . . . . 43 V CG2 . 16967 1 534 . 1 1 43 43 VAL N N 15 125.898 0.3 . 1 . . . . 43 V N . 16967 1 535 . 1 1 44 44 GLU H H 1 7.796 0.01 . 1 . . . . 44 E HN . 16967 1 536 . 1 1 44 44 GLU HA H 1 4.161 0.01 . 1 . . . . 44 E HA . 16967 1 537 . 1 1 44 44 GLU HB2 H 1 1.902 0.01 . 2 . . . . 44 E HB1 . 16967 1 538 . 1 1 44 44 GLU HB3 H 1 2.003 0.01 . 2 . . . . 44 E HB2 . 16967 1 539 . 1 1 44 44 GLU HG2 H 1 2.258 0.01 . 2 . . . . 44 E HG1 . 16967 1 540 . 1 1 44 44 GLU HG3 H 1 2.298 0.01 . 2 . . . . 44 E HG2 . 16967 1 541 . 1 1 44 44 GLU C C 13 177.658 0.3 . 1 . . . . 44 E C . 16967 1 542 . 1 1 44 44 GLU CA C 13 56.233 0.3 . 1 . . . . 44 E CA . 16967 1 543 . 1 1 44 44 GLU CB C 13 29.650 0.3 . 1 . . . . 44 E CB . 16967 1 544 . 1 1 44 44 GLU CG C 13 35.057 0.3 . 1 . . . . 44 E CG . 16967 1 545 . 1 1 44 44 GLU N N 15 124.854 0.3 . 1 . . . . 44 E N . 16967 1 546 . 1 1 45 45 ASP H H 1 9.129 0.01 . 1 . . . . 45 D HN . 16967 1 547 . 1 1 45 45 ASP HA H 1 4.332 0.01 . 1 . . . . 45 D HA . 16967 1 548 . 1 1 45 45 ASP HB2 H 1 2.626 0.01 . 2 . . . . 45 D HB1 . 16967 1 549 . 1 1 45 45 ASP HB3 H 1 2.626 0.01 . 2 . . . . 45 D HB2 . 16967 1 550 . 1 1 45 45 ASP C C 13 177.623 0.3 . 1 . . . . 45 D C . 16967 1 551 . 1 1 45 45 ASP CA C 13 56.254 0.3 . 1 . . . . 45 D CA . 16967 1 552 . 1 1 45 45 ASP CB C 13 40.668 0.3 . 1 . . . . 45 D CB . 16967 1 553 . 1 1 45 45 ASP N N 15 130.019 0.3 . 1 . . . . 45 D N . 16967 1 554 . 1 1 46 46 GLY H H 1 8.471 0.01 . 1 . . . . 46 G HN . 16967 1 555 . 1 1 46 46 GLY HA2 H 1 3.820 0.01 . 2 . . . . 46 G HA1 . 16967 1 556 . 1 1 46 46 GLY HA3 H 1 4.144 0.01 . 2 . . . . 46 G HA2 . 16967 1 557 . 1 1 46 46 GLY CA C 13 45.764 0.3 . 1 . . . . 46 G CA . 16967 1 558 . 1 1 46 46 GLY N N 15 112.897 0.3 . 1 . . . . 46 G N . 16967 1 559 . 1 1 47 47 GLY H H 1 7.638 0.01 . 1 . . . . 47 G HN . 16967 1 560 . 1 1 47 47 GLY HA2 H 1 4.503 0.01 . 2 . . . . 47 G HA1 . 16967 1 561 . 1 1 47 47 GLY HA3 H 1 4.036 0.01 . 2 . . . . 47 G HA2 . 16967 1 562 . 1 1 47 47 GLY C C 13 174.365 0.3 . 1 . . . . 47 G C . 16967 1 563 . 1 1 47 47 GLY CA C 13 45.354 0.3 . 1 . . . . 47 G CA . 16967 1 564 . 1 1 47 47 GLY N N 15 106.966 0.3 . 1 . . . . 47 G N . 16967 1 565 . 1 1 48 48 PRO HA H 1 4.326 0.01 . 1 . . . . 48 P HA . 16967 1 566 . 1 1 48 48 PRO HB2 H 1 2.867 0.01 . 2 . . . . 48 P HB1 . 16967 1 567 . 1 1 48 48 PRO HB3 H 1 2.384 0.01 . 2 . . . . 48 P HB2 . 16967 1 568 . 1 1 48 48 PRO HD2 H 1 3.484 0.01 . 2 . . . . 48 P HD1 . 16967 1 569 . 1 1 48 48 PRO HD3 H 1 3.772 0.01 . 2 . . . . 48 P HD2 . 16967 1 570 . 1 1 48 48 PRO HG2 H 1 2.133 0.01 . 2 . . . . 48 P HG1 . 16967 1 571 . 1 1 48 48 PRO HG3 H 1 2.436 0.01 . 2 . . . . 48 P HG2 . 16967 1 572 . 1 1 48 48 PRO C C 13 180.035 0.3 . 1 . . . . 48 P C . 16967 1 573 . 1 1 48 48 PRO CA C 13 65.790 0.3 . 1 . . . . 48 P CA . 16967 1 574 . 1 1 48 48 PRO CB C 13 32.362 0.3 . 1 . . . . 48 P CB . 16967 1 575 . 1 1 48 48 PRO CD C 13 49.723 0.3 . 1 . . . . 48 P CD . 16967 1 576 . 1 1 48 48 PRO CG C 13 28.474 0.3 . 1 . . . . 48 P CG . 16967 1 577 . 1 1 49 49 ALA H H 1 8.064 0.01 . 1 . . . . 49 A HN . 16967 1 578 . 1 1 49 49 ALA HA H 1 3.970 0.01 . 1 . . . . 49 A HA . 16967 1 579 . 1 1 49 49 ALA HB1 H 1 1.401 0.01 . 1 . . . . 49 A HB1 . 16967 1 580 . 1 1 49 49 ALA HB2 H 1 1.401 0.01 . 1 . . . . 49 A HB1 . 16967 1 581 . 1 1 49 49 ALA HB3 H 1 1.401 0.01 . 1 . . . . 49 A HB1 . 16967 1 582 . 1 1 49 49 ALA C C 13 178.003 0.3 . 1 . . . . 49 A C . 16967 1 583 . 1 1 49 49 ALA CA C 13 55.433 0.3 . 1 . . . . 49 A CA . 16967 1 584 . 1 1 49 49 ALA CB C 13 18.622 0.3 . 1 . . . . 49 A CB . 16967 1 585 . 1 1 49 49 ALA N N 15 120.933 0.3 . 1 . . . . 49 A N . 16967 1 586 . 1 1 50 50 SER H H 1 8.504 0.01 . 1 . . . . 50 S HN . 16967 1 587 . 1 1 50 50 SER HA H 1 4.039 0.01 . 1 . . . . 50 S HA . 16967 1 588 . 1 1 50 50 SER HB2 H 1 4.021 0.01 . 2 . . . . 50 S HB1 . 16967 1 589 . 1 1 50 50 SER HB3 H 1 4.089 0.01 . 2 . . . . 50 S HB2 . 16967 1 590 . 1 1 50 50 SER C C 13 179.291 0.3 . 1 . . . . 50 S C . 16967 1 591 . 1 1 50 50 SER CA C 13 60.765 0.3 . 1 . . . . 50 S CA . 16967 1 592 . 1 1 50 50 SER CB C 13 63.021 0.3 . 1 . . . . 50 S CB . 16967 1 593 . 1 1 50 50 SER N N 15 114.868 0.3 . 1 . . . . 50 S N . 16967 1 594 . 1 1 51 51 GLU H H 1 8.257 0.01 . 1 . . . . 51 E HN . 16967 1 595 . 1 1 51 51 GLU HA H 1 3.968 0.01 . 1 . . . . 51 E HA . 16967 1 596 . 1 1 51 51 GLU HB2 H 1 2.089 0.01 . 2 . . . . 51 E HB1 . 16967 1 597 . 1 1 51 51 GLU HB3 H 1 2.089 0.01 . 2 . . . . 51 E HB2 . 16967 1 598 . 1 1 51 51 GLU HG2 H 1 2.176 0.01 . 2 . . . . 51 E HG1 . 16967 1 599 . 1 1 51 51 GLU HG3 H 1 2.304 0.01 . 2 . . . . 51 E HG2 . 16967 1 600 . 1 1 51 51 GLU C C 13 177.949 0.3 . 1 . . . . 51 E C . 16967 1 601 . 1 1 51 51 GLU CA C 13 59.125 0.3 . 1 . . . . 51 E CA . 16967 1 602 . 1 1 51 51 GLU CB C 13 29.696 0.3 . 1 . . . . 51 E CB . 16967 1 603 . 1 1 51 51 GLU CG C 13 36.523 0.3 . 1 . . . . 51 E CG . 16967 1 604 . 1 1 51 51 GLU N N 15 121.158 0.3 . 1 . . . . 51 E N . 16967 1 605 . 1 1 52 52 ALA H H 1 7.748 0.01 . 1 . . . . 52 A HN . 16967 1 606 . 1 1 52 52 ALA HA H 1 4.325 0.01 . 1 . . . . 52 A HA . 16967 1 607 . 1 1 52 52 ALA HB1 H 1 1.478 0.01 . 1 . . . . 52 A HB1 . 16967 1 608 . 1 1 52 52 ALA HB2 H 1 1.478 0.01 . 1 . . . . 52 A HB1 . 16967 1 609 . 1 1 52 52 ALA HB3 H 1 1.478 0.01 . 1 . . . . 52 A HB1 . 16967 1 610 . 1 1 52 52 ALA C C 13 177.378 0.3 . 1 . . . . 52 A C . 16967 1 611 . 1 1 52 52 ALA CA C 13 52.870 0.3 . 1 . . . . 52 A CA . 16967 1 612 . 1 1 52 52 ALA CB C 13 20.775 0.3 . 1 . . . . 52 A CB . 16967 1 613 . 1 1 52 52 ALA N N 15 118.649 0.3 . 1 . . . . 52 A N . 16967 1 614 . 1 1 53 53 GLY H H 1 7.467 0.01 . 1 . . . . 53 G HN . 16967 1 615 . 1 1 53 53 GLY HA2 H 1 3.609 0.01 . 2 . . . . 53 G HA1 . 16967 1 616 . 1 1 53 53 GLY HA3 H 1 4.247 0.01 . 2 . . . . 53 G HA2 . 16967 1 617 . 1 1 53 53 GLY C C 13 174.660 0.3 . 1 . . . . 53 G C . 16967 1 618 . 1 1 53 53 GLY CA C 13 44.872 0.3 . 1 . . . . 53 G CA . 16967 1 619 . 1 1 53 53 GLY N N 15 102.994 0.3 . 1 . . . . 53 G N . 16967 1 620 . 1 1 54 54 LEU H H 1 7.702 0.01 . 1 . . . . 54 L HN . 16967 1 621 . 1 1 54 54 LEU HA H 1 3.870 0.01 . 1 . . . . 54 L HA . 16967 1 622 . 1 1 54 54 LEU HB2 H 1 0.817 0.01 . 2 . . . . 54 L HB1 . 16967 1 623 . 1 1 54 54 LEU HB3 H 1 1.345 0.01 . 2 . . . . 54 L HB2 . 16967 1 624 . 1 1 54 54 LEU HD11 H 1 -0.217 0.01 . 1 . . . . 54 L HD11 . 16967 1 625 . 1 1 54 54 LEU HD12 H 1 -0.217 0.01 . 1 . . . . 54 L HD11 . 16967 1 626 . 1 1 54 54 LEU HD13 H 1 -0.217 0.01 . 1 . . . . 54 L HD11 . 16967 1 627 . 1 1 54 54 LEU HD21 H 1 0.503 0.01 . 1 . . . . 54 L HD21 . 16967 1 628 . 1 1 54 54 LEU HD22 H 1 0.503 0.01 . 1 . . . . 54 L HD21 . 16967 1 629 . 1 1 54 54 LEU HD23 H 1 0.503 0.01 . 1 . . . . 54 L HD21 . 16967 1 630 . 1 1 54 54 LEU HG H 1 1.208 0.01 . 1 . . . . 54 L HG . 16967 1 631 . 1 1 54 54 LEU C C 13 175.051 0.3 . 1 . . . . 54 L C . 16967 1 632 . 1 1 54 54 LEU CA C 13 55.638 0.3 . 1 . . . . 54 L CA . 16967 1 633 . 1 1 54 54 LEU CB C 13 43.301 0.3 . 1 . . . . 54 L CB . 16967 1 634 . 1 1 54 54 LEU CD1 C 13 25.907 0.3 . 1 . . . . 54 L CD1 . 16967 1 635 . 1 1 54 54 LEU CD2 C 13 23.819 0.3 . 1 . . . . 54 L CD2 . 16967 1 636 . 1 1 54 54 LEU CG C 13 26.466 0.3 . 1 . . . . 54 L CG . 16967 1 637 . 1 1 54 54 LEU N N 15 123.403 0.3 . 1 . . . . 54 L N . 16967 1 638 . 1 1 55 55 ARG H H 1 8.276 0.01 . 1 . . . . 55 R HN . 16967 1 639 . 1 1 55 55 ARG HA H 1 4.393 0.01 . 1 . . . . 55 R HA . 16967 1 640 . 1 1 55 55 ARG HB2 H 1 1.598 0.01 . 2 . . . . 55 R HB1 . 16967 1 641 . 1 1 55 55 ARG HB3 H 1 1.598 0.01 . 2 . . . . 55 R HB2 . 16967 1 642 . 1 1 55 55 ARG HD2 H 1 3.100 0.01 . 2 . . . . 55 R HD1 . 16967 1 643 . 1 1 55 55 ARG HD3 H 1 3.100 0.01 . 2 . . . . 55 R HD2 . 16967 1 644 . 1 1 55 55 ARG HG2 H 1 1.463 0.01 . 2 . . . . 55 R HG1 . 16967 1 645 . 1 1 55 55 ARG HG3 H 1 1.572 0.01 . 2 . . . . 55 R HG2 . 16967 1 646 . 1 1 55 55 ARG HH11 H 1 7.803 0.01 . 2 . . . . 55 R HH11 . 16967 1 647 . 1 1 55 55 ARG HH12 H 1 7.106 0.01 . 2 . . . . 55 R HH12 . 16967 1 648 . 1 1 55 55 ARG HH21 H 1 7.803 0.01 . 2 . . . . 55 R HH21 . 16967 1 649 . 1 1 55 55 ARG HH22 H 1 7.106 0.01 . 2 . . . . 55 R HH22 . 16967 1 650 . 1 1 55 55 ARG CA C 13 54.613 0.3 . 1 . . . . 55 R CA . 16967 1 651 . 1 1 55 55 ARG CB C 13 32.319 0.3 . 1 . . . . 55 R CB . 16967 1 652 . 1 1 55 55 ARG CD C 13 43.300 0.3 . 1 . . . . 55 R CD . 16967 1 653 . 1 1 55 55 ARG CG C 13 26.630 0.3 . 1 . . . . 55 R CG . 16967 1 654 . 1 1 55 55 ARG N N 15 125.775 0.3 . 1 . . . . 55 R N . 16967 1 655 . 1 1 55 55 ARG NH1 N 15 103.061 0.3 . 1 . . . . 55 R NH1 . 16967 1 656 . 1 1 55 55 ARG NH2 N 15 103.061 0.3 . 1 . . . . 55 R NH2 . 16967 1 657 . 1 1 56 56 GLN H H 1 8.406 0.01 . 1 . . . . 56 Q HN . 16967 1 658 . 1 1 56 56 GLN HA H 1 3.529 0.01 . 1 . . . . 56 Q HA . 16967 1 659 . 1 1 56 56 GLN HB2 H 1 1.741 0.01 . 2 . . . . 56 Q HB1 . 16967 1 660 . 1 1 56 56 GLN HB3 H 1 1.868 0.01 . 2 . . . . 56 Q HB2 . 16967 1 661 . 1 1 56 56 GLN HG2 H 1 2.122 0.01 . 2 . . . . 56 Q HG1 . 16967 1 662 . 1 1 56 56 GLN HG3 H 1 2.016 0.01 . 2 . . . . 56 Q HG2 . 16967 1 663 . 1 1 56 56 GLN C C 13 176.481 0.3 . 1 . . . . 56 Q C . 16967 1 664 . 1 1 56 56 GLN CA C 13 57.894 0.3 . 1 . . . . 56 Q CA . 16967 1 665 . 1 1 56 56 GLN CB C 13 27.851 0.3 . 1 . . . . 56 Q CB . 16967 1 666 . 1 1 56 56 GLN CG C 13 33.718 0.3 . 1 . . . . 56 Q CG . 16967 1 667 . 1 1 56 56 GLN N N 15 122.541 0.3 . 1 . . . . 56 Q N . 16967 1 668 . 1 1 57 57 GLY H H 1 9.303 0.01 . 1 . . . . 57 G HN . 16967 1 669 . 1 1 57 57 GLY HA2 H 1 3.547 0.01 . 2 . . . . 57 G HA1 . 16967 1 670 . 1 1 57 57 GLY HA3 H 1 4.338 0.01 . 2 . . . . 57 G HA2 . 16967 1 671 . 1 1 57 57 GLY C C 13 173.545 0.3 . 1 . . . . 57 G C . 16967 1 672 . 1 1 57 57 GLY CA C 13 44.872 0.3 . 1 . . . . 57 G CA . 16967 1 673 . 1 1 57 57 GLY N N 15 115.273 0.3 . 1 . . . . 57 G N . 16967 1 674 . 1 1 58 58 ASP H H 1 7.359 0.01 . 1 . . . . 58 D HN . 16967 1 675 . 1 1 58 58 ASP HA H 1 4.617 0.01 . 1 . . . . 58 D HA . 16967 1 676 . 1 1 58 58 ASP HB2 H 1 2.308 0.01 . 2 . . . . 58 D HB1 . 16967 1 677 . 1 1 58 58 ASP HB3 H 1 2.661 0.01 . 2 . . . . 58 D HB2 . 16967 1 678 . 1 1 58 58 ASP C C 13 175.006 0.3 . 1 . . . . 58 D C . 16967 1 679 . 1 1 58 58 ASP CA C 13 54.899 0.3 . 1 . . . . 58 D CA . 16967 1 680 . 1 1 58 58 ASP CB C 13 41.146 0.3 . 1 . . . . 58 D CB . 16967 1 681 . 1 1 58 58 ASP N N 15 119.845 0.3 . 1 . . . . 58 D N . 16967 1 682 . 1 1 59 59 LEU H H 1 8.556 0.01 . 1 . . . . 59 L HN . 16967 1 683 . 1 1 59 59 LEU HA H 1 4.873 0.01 . 1 . . . . 59 L HA . 16967 1 684 . 1 1 59 59 LEU HB2 H 1 1.448 0.01 . 2 . . . . 59 L HB1 . 16967 1 685 . 1 1 59 59 LEU HB3 H 1 1.684 0.01 . 2 . . . . 59 L HB2 . 16967 1 686 . 1 1 59 59 LEU HD11 H 1 0.668 0.01 . 1 . . . . 59 L HD11 . 16967 1 687 . 1 1 59 59 LEU HD12 H 1 0.668 0.01 . 1 . . . . 59 L HD11 . 16967 1 688 . 1 1 59 59 LEU HD13 H 1 0.668 0.01 . 1 . . . . 59 L HD11 . 16967 1 689 . 1 1 59 59 LEU HD21 H 1 0.668 0.01 . 1 . . . . 59 L HD21 . 16967 1 690 . 1 1 59 59 LEU HD22 H 1 0.668 0.01 . 1 . . . . 59 L HD21 . 16967 1 691 . 1 1 59 59 LEU HD23 H 1 0.668 0.01 . 1 . . . . 59 L HD21 . 16967 1 692 . 1 1 59 59 LEU HG H 1 1.583 0.01 . 1 . . . . 59 L HG . 16967 1 693 . 1 1 59 59 LEU C C 13 176.996 0.3 . 1 . . . . 59 L C . 16967 1 694 . 1 1 59 59 LEU CA C 13 53.485 0.3 . 1 . . . . 59 L CA . 16967 1 695 . 1 1 59 59 LEU CB C 13 42.821 0.3 . 1 . . . . 59 L CB . 16967 1 696 . 1 1 59 59 LEU CD1 C 13 24.831 0.3 . 1 . . . . 59 L CD1 . 16967 1 697 . 1 1 59 59 LEU CD2 C 13 24.831 0.3 . 1 . . . . 59 L CD2 . 16967 1 698 . 1 1 59 59 LEU CG C 13 26.767 0.3 . 1 . . . . 59 L CG . 16967 1 699 . 1 1 59 59 LEU N N 15 119.610 0.3 . 1 . . . . 59 L N . 16967 1 700 . 1 1 60 60 ILE H H 1 8.891 0.01 . 1 . . . . 60 I HN . 16967 1 701 . 1 1 60 60 ILE HA H 1 4.197 0.01 . 1 . . . . 60 I HA . 16967 1 702 . 1 1 60 60 ILE HB H 1 1.636 0.01 . 1 . . . . 60 I HB . 16967 1 703 . 1 1 60 60 ILE HD11 H 1 0.665 0.01 . 1 . . . . 60 I HD11 . 16967 1 704 . 1 1 60 60 ILE HD12 H 1 0.665 0.01 . 1 . . . . 60 I HD11 . 16967 1 705 . 1 1 60 60 ILE HD13 H 1 0.665 0.01 . 1 . . . . 60 I HD11 . 16967 1 706 . 1 1 60 60 ILE HG12 H 1 1.615 0.01 . 2 . . . . 60 I HG11 . 16967 1 707 . 1 1 60 60 ILE HG13 H 1 1.615 0.01 . 2 . . . . 60 I HG12 . 16967 1 708 . 1 1 60 60 ILE HG21 H 1 0.704 0.01 . 1 . . . . 60 I HG21 . 16967 1 709 . 1 1 60 60 ILE HG22 H 1 0.704 0.01 . 1 . . . . 60 I HG21 . 16967 1 710 . 1 1 60 60 ILE HG23 H 1 0.704 0.01 . 1 . . . . 60 I HG21 . 16967 1 711 . 1 1 60 60 ILE C C 13 175.270 0.3 . 1 . . . . 60 I C . 16967 1 712 . 1 1 60 60 ILE CA C 13 61.571 0.3 . 1 . . . . 60 I CA . 16967 1 713 . 1 1 60 60 ILE CB C 13 39.503 0.3 . 1 . . . . 60 I CB . 16967 1 714 . 1 1 60 60 ILE CD1 C 13 14.108 0.3 . 1 . . . . 60 I CD1 . 16967 1 715 . 1 1 60 60 ILE CG1 C 13 27.785 0.3 . 1 . . . . 60 I CG1 . 16967 1 716 . 1 1 60 60 ILE CG2 C 13 17.135 0.3 . 1 . . . . 60 I CG2 . 16967 1 717 . 1 1 60 60 ILE N N 15 122.051 0.3 . 1 . . . . 60 I N . 16967 1 718 . 1 1 61 61 THR H H 1 8.995 0.01 . 1 . . . . 61 T HN . 16967 1 719 . 1 1 61 61 THR HA H 1 4.433 0.01 . 1 . . . . 61 T HA . 16967 1 720 . 1 1 61 61 THR HB H 1 4.192 0.01 . 1 . . . . 61 T HB . 16967 1 721 . 1 1 61 61 THR HG21 H 1 1.057 0.01 . 1 . . . . 61 T HG21 . 16967 1 722 . 1 1 61 61 THR HG22 H 1 1.057 0.01 . 1 . . . . 61 T HG21 . 16967 1 723 . 1 1 61 61 THR HG23 H 1 1.057 0.01 . 1 . . . . 61 T HG21 . 16967 1 724 . 1 1 61 61 THR C C 13 176.502 0.3 . 1 . . . . 61 T C . 16967 1 725 . 1 1 61 61 THR CA C 13 62.508 0.3 . 1 . . . . 61 T CA . 16967 1 726 . 1 1 61 61 THR CB C 13 68.353 0.3 . 1 . . . . 61 T CB . 16967 1 727 . 1 1 61 61 THR CG2 C 13 21.059 0.3 . 1 . . . . 61 T CG2 . 16967 1 728 . 1 1 61 61 THR N N 15 115.190 0.3 . 1 . . . . 61 T N . 16967 1 729 . 1 1 62 62 HIS H H 1 7.599 0.01 . 1 . . . . 62 H HN . 16967 1 730 . 1 1 62 62 HIS HA H 1 5.458 0.01 . 1 . . . . 62 H HA . 16967 1 731 . 1 1 62 62 HIS HB2 H 1 2.299 0.01 . 2 . . . . 62 H HB1 . 16967 1 732 . 1 1 62 62 HIS HB3 H 1 2.700 0.01 . 2 . . . . 62 H HB2 . 16967 1 733 . 1 1 62 62 HIS HD2 H 1 6.467 0.01 . 1 . . . . 62 H HD2 . 16967 1 734 . 1 1 62 62 HIS C C 13 174.258 0.3 . 1 . . . . 62 H C . 16967 1 735 . 1 1 62 62 HIS CA C 13 56.336 0.3 . 1 . . . . 62 H CA . 16967 1 736 . 1 1 62 62 HIS CB C 13 35.090 0.3 . 1 . . . . 62 H CB . 16967 1 737 . 1 1 62 62 HIS CD2 C 13 116.528 0.3 . 1 . . . . 62 H CD2 . 16967 1 738 . 1 1 62 62 HIS N N 15 120.815 0.3 . 1 . . . . 62 H N . 16967 1 739 . 1 1 63 63 VAL H H 1 8.512 0.01 . 1 . . . . 63 V HN . 16967 1 740 . 1 1 63 63 VAL HA H 1 4.424 0.01 . 1 . . . . 63 V HA . 16967 1 741 . 1 1 63 63 VAL HB H 1 1.726 0.01 . 1 . . . . 63 V HB . 16967 1 742 . 1 1 63 63 VAL HG11 H 1 0.573 0.01 . 1 . . . . 63 V HG11 . 16967 1 743 . 1 1 63 63 VAL HG12 H 1 0.573 0.01 . 1 . . . . 63 V HG11 . 16967 1 744 . 1 1 63 63 VAL HG13 H 1 0.573 0.01 . 1 . . . . 63 V HG11 . 16967 1 745 . 1 1 63 63 VAL HG21 H 1 0.646 0.01 . 1 . . . . 63 V HG21 . 16967 1 746 . 1 1 63 63 VAL HG22 H 1 0.646 0.01 . 1 . . . . 63 V HG21 . 16967 1 747 . 1 1 63 63 VAL HG23 H 1 0.646 0.01 . 1 . . . . 63 V HG21 . 16967 1 748 . 1 1 63 63 VAL C C 13 176.020 0.3 . 1 . . . . 63 V C . 16967 1 749 . 1 1 63 63 VAL CA C 13 61.483 0.3 . 1 . . . . 63 V CA . 16967 1 750 . 1 1 63 63 VAL CB C 13 33.695 0.3 . 1 . . . . 63 V CB . 16967 1 751 . 1 1 63 63 VAL CG1 C 13 21.145 0.3 . 1 . . . . 63 V CG1 . 16967 1 752 . 1 1 63 63 VAL CG2 C 13 20.829 0.3 . 1 . . . . 63 V CG2 . 16967 1 753 . 1 1 63 63 VAL N N 15 119.831 0.3 . 1 . . . . 63 V N . 16967 1 754 . 1 1 64 64 ASN H H 1 10.226 0.01 . 1 . . . . 64 N HN . 16967 1 755 . 1 1 64 64 ASN HA H 1 4.408 0.01 . 1 . . . . 64 N HA . 16967 1 756 . 1 1 64 64 ASN HB2 H 1 3.046 0.01 . 2 . . . . 64 N HB1 . 16967 1 757 . 1 1 64 64 ASN HB3 H 1 3.046 0.01 . 2 . . . . 64 N HB2 . 16967 1 758 . 1 1 64 64 ASN HD21 H 1 7.799 0.01 . 2 . . . . 64 N HD21 . 16967 1 759 . 1 1 64 64 ASN HD22 H 1 7.799 0.01 . 2 . . . . 64 N HD22 . 16967 1 760 . 1 1 64 64 ASN C C 13 175.199 0.3 . 1 . . . . 64 N C . 16967 1 761 . 1 1 64 64 ASN CA C 13 54.305 0.3 . 1 . . . . 64 N CA . 16967 1 762 . 1 1 64 64 ASN CB C 13 37.079 0.3 . 1 . . . . 64 N CB . 16967 1 763 . 1 1 64 64 ASN N N 15 128.054 0.3 . 1 . . . . 64 N N . 16967 1 764 . 1 1 64 64 ASN ND2 N 15 115.009 0.3 . 1 . . . . 64 N ND2 . 16967 1 765 . 1 1 65 65 GLY H H 1 8.402 0.01 . 1 . . . . 65 G HN . 16967 1 766 . 1 1 65 65 GLY HA2 H 1 3.405 0.01 . 2 . . . . 65 G HA1 . 16967 1 767 . 1 1 65 65 GLY HA3 H 1 4.148 0.01 . 2 . . . . 65 G HA2 . 16967 1 768 . 1 1 65 65 GLY C C 13 173.159 0.3 . 1 . . . . 65 G C . 16967 1 769 . 1 1 65 65 GLY CA C 13 45.282 0.3 . 1 . . . . 65 G CA . 16967 1 770 . 1 1 65 65 GLY N N 15 101.914 0.3 . 1 . . . . 65 G N . 16967 1 771 . 1 1 66 66 GLU H H 1 8.084 0.01 . 1 . . . . 66 E HN . 16967 1 772 . 1 1 66 66 GLU HA H 1 4.906 0.01 . 1 . . . . 66 E HA . 16967 1 773 . 1 1 66 66 GLU HB2 H 1 2.047 0.01 . 2 . . . . 66 E HB1 . 16967 1 774 . 1 1 66 66 GLU HB3 H 1 2.047 0.01 . 2 . . . . 66 E HB2 . 16967 1 775 . 1 1 66 66 GLU HG2 H 1 2.163 0.01 . 2 . . . . 66 E HG1 . 16967 1 776 . 1 1 66 66 GLU HG3 H 1 2.248 0.01 . 2 . . . . 66 E HG2 . 16967 1 777 . 1 1 66 66 GLU CA C 13 53.052 0.3 . 1 . . . . 66 E CA . 16967 1 778 . 1 1 66 66 GLU CB C 13 30.061 0.3 . 1 . . . . 66 E CB . 16967 1 779 . 1 1 66 66 GLU CG C 13 35.580 0.3 . 1 . . . . 66 E CG . 16967 1 780 . 1 1 66 66 GLU N N 15 124.177 0.3 . 1 . . . . 66 E N . 16967 1 781 . 1 1 67 67 PRO HA H 1 4.370 0.01 . 1 . . . . 67 P HA . 16967 1 782 . 1 1 67 67 PRO HB2 H 1 1.938 0.01 . 2 . . . . 67 P HB1 . 16967 1 783 . 1 1 67 67 PRO HB3 H 1 1.938 0.01 . 2 . . . . 67 P HB2 . 16967 1 784 . 1 1 67 67 PRO HD2 H 1 4.006 0.01 . 2 . . . . 67 P HD1 . 16967 1 785 . 1 1 67 67 PRO HD3 H 1 3.933 0.01 . 2 . . . . 67 P HD2 . 16967 1 786 . 1 1 67 67 PRO HG2 H 1 2.150 0.01 . 2 . . . . 67 P HG1 . 16967 1 787 . 1 1 67 67 PRO HG3 H 1 2.098 0.01 . 2 . . . . 67 P HG2 . 16967 1 788 . 1 1 67 67 PRO C C 13 178.434 0.3 . 1 . . . . 67 P C . 16967 1 789 . 1 1 67 67 PRO CA C 13 62.098 0.3 . 1 . . . . 67 P CA . 16967 1 790 . 1 1 67 67 PRO CB C 13 32.260 0.3 . 1 . . . . 67 P CB . 16967 1 791 . 1 1 67 67 PRO CD C 13 50.988 0.3 . 1 . . . . 67 P CD . 16967 1 792 . 1 1 67 67 PRO CG C 13 27.234 0.3 . 1 . . . . 67 P CG . 16967 1 793 . 1 1 68 68 VAL H H 1 7.315 0.01 . 1 . . . . 68 V HN . 16967 1 794 . 1 1 68 68 VAL HA H 1 4.367 0.01 . 1 . . . . 68 V HA . 16967 1 795 . 1 1 68 68 VAL HB H 1 2.155 0.01 . 1 . . . . 68 V HB . 16967 1 796 . 1 1 68 68 VAL HG11 H 1 0.588 0.01 . 1 . . . . 68 V HG11 . 16967 1 797 . 1 1 68 68 VAL HG12 H 1 0.588 0.01 . 1 . . . . 68 V HG11 . 16967 1 798 . 1 1 68 68 VAL HG13 H 1 0.588 0.01 . 1 . . . . 68 V HG11 . 16967 1 799 . 1 1 68 68 VAL HG21 H 1 0.588 0.01 . 1 . . . . 68 V HG21 . 16967 1 800 . 1 1 68 68 VAL HG22 H 1 0.588 0.01 . 1 . . . . 68 V HG21 . 16967 1 801 . 1 1 68 68 VAL HG23 H 1 0.588 0.01 . 1 . . . . 68 V HG21 . 16967 1 802 . 1 1 68 68 VAL C C 13 176.089 0.3 . 1 . . . . 68 V C . 16967 1 803 . 1 1 68 68 VAL CA C 13 59.928 0.3 . 1 . . . . 68 V CA . 16967 1 804 . 1 1 68 68 VAL CB C 13 30.882 0.3 . 1 . . . . 68 V CB . 16967 1 805 . 1 1 68 68 VAL CG1 C 13 19.969 0.3 . 1 . . . . 68 V CG1 . 16967 1 806 . 1 1 68 68 VAL CG2 C 13 21.661 0.3 . 1 . . . . 68 V CG2 . 16967 1 807 . 1 1 68 68 VAL N N 15 110.324 0.3 . 1 . . . . 68 V N . 16967 1 808 . 1 1 69 69 HIS H H 1 7.562 0.01 . 1 . . . . 69 H HN . 16967 1 809 . 1 1 69 69 HIS HA H 1 4.477 0.01 . 1 . . . . 69 H HA . 16967 1 810 . 1 1 69 69 HIS HB2 H 1 2.988 0.01 . 2 . . . . 69 H HB1 . 16967 1 811 . 1 1 69 69 HIS HB3 H 1 3.094 0.01 . 2 . . . . 69 H HB2 . 16967 1 812 . 1 1 69 69 HIS HD2 H 1 6.939 0.01 . 1 . . . . 69 H HD2 . 16967 1 813 . 1 1 69 69 HIS C C 13 176.918 0.3 . 1 . . . . 69 H C . 16967 1 814 . 1 1 69 69 HIS CA C 13 58.407 0.3 . 1 . . . . 69 H CA . 16967 1 815 . 1 1 69 69 HIS CB C 13 30.106 0.3 . 1 . . . . 69 H CB . 16967 1 816 . 1 1 69 69 HIS CD2 C 13 119.215 0.3 . 1 . . . . 69 H CD2 . 16967 1 817 . 1 1 69 69 HIS N N 15 121.570 0.3 . 1 . . . . 69 H N . 16967 1 818 . 1 1 70 70 GLY H H 1 8.612 0.01 . 1 . . . . 70 G HN . 16967 1 819 . 1 1 70 70 GLY HA2 H 1 3.662 0.01 . 2 . . . . 70 G HA1 . 16967 1 820 . 1 1 70 70 GLY HA3 H 1 3.924 0.01 . 2 . . . . 70 G HA2 . 16967 1 821 . 1 1 70 70 GLY C C 13 174.116 0.3 . 1 . . . . 70 G C . 16967 1 822 . 1 1 70 70 GLY CA C 13 45.179 0.3 . 1 . . . . 70 G CA . 16967 1 823 . 1 1 70 70 GLY N N 15 113.423 0.3 . 1 . . . . 70 G N . 16967 1 824 . 1 1 71 71 LEU H H 1 7.830 0.01 . 1 . . . . 71 L HN . 16967 1 825 . 1 1 71 71 LEU HA H 1 4.616 0.01 . 1 . . . . 71 L HA . 16967 1 826 . 1 1 71 71 LEU HB2 H 1 1.441 0.01 . 2 . . . . 71 L HB1 . 16967 1 827 . 1 1 71 71 LEU HB3 H 1 1.663 0.01 . 2 . . . . 71 L HB2 . 16967 1 828 . 1 1 71 71 LEU HD11 H 1 0.670 0.01 . 1 . . . . 71 L HD11 . 16967 1 829 . 1 1 71 71 LEU HD12 H 1 0.670 0.01 . 1 . . . . 71 L HD11 . 16967 1 830 . 1 1 71 71 LEU HD13 H 1 0.670 0.01 . 1 . . . . 71 L HD11 . 16967 1 831 . 1 1 71 71 LEU HD21 H 1 0.688 0.01 . 1 . . . . 71 L HD21 . 16967 1 832 . 1 1 71 71 LEU HD22 H 1 0.688 0.01 . 1 . . . . 71 L HD21 . 16967 1 833 . 1 1 71 71 LEU HD23 H 1 0.688 0.01 . 1 . . . . 71 L HD21 . 16967 1 834 . 1 1 71 71 LEU HG H 1 1.454 0.01 . 1 . . . . 71 L HG . 16967 1 835 . 1 1 71 71 LEU C C 13 178.709 0.3 . 1 . . . . 71 L C . 16967 1 836 . 1 1 71 71 LEU CA C 13 54.100 0.3 . 1 . . . . 71 L CA . 16967 1 837 . 1 1 71 71 LEU CB C 13 42.308 0.3 . 1 . . . . 71 L CB . 16967 1 838 . 1 1 71 71 LEU CD1 C 13 25.597 0.3 . 1 . . . . 71 L CD1 . 16967 1 839 . 1 1 71 71 LEU CD2 C 13 22.353 0.3 . 1 . . . . 71 L CD2 . 16967 1 840 . 1 1 71 71 LEU CG C 13 27.474 0.3 . 1 . . . . 71 L CG . 16967 1 841 . 1 1 71 71 LEU N N 15 120.826 0.3 . 1 . . . . 71 L N . 16967 1 842 . 1 1 72 72 VAL H H 1 8.933 0.01 . 1 . . . . 72 V HN . 16967 1 843 . 1 1 72 72 VAL HA H 1 4.619 0.01 . 1 . . . . 72 V HA . 16967 1 844 . 1 1 72 72 VAL HB H 1 2.630 0.01 . 1 . . . . 72 V HB . 16967 1 845 . 1 1 72 72 VAL HG11 H 1 1.036 0.01 . 1 . . . . 72 V HG11 . 16967 1 846 . 1 1 72 72 VAL HG12 H 1 1.036 0.01 . 1 . . . . 72 V HG11 . 16967 1 847 . 1 1 72 72 VAL HG13 H 1 1.036 0.01 . 1 . . . . 72 V HG11 . 16967 1 848 . 1 1 72 72 VAL HG21 H 1 1.025 0.01 . 1 . . . . 72 V HG21 . 16967 1 849 . 1 1 72 72 VAL HG22 H 1 1.025 0.01 . 1 . . . . 72 V HG21 . 16967 1 850 . 1 1 72 72 VAL HG23 H 1 1.025 0.01 . 1 . . . . 72 V HG21 . 16967 1 851 . 1 1 72 72 VAL C C 13 177.700 0.3 . 1 . . . . 72 V C . 16967 1 852 . 1 1 72 72 VAL CA C 13 60.663 0.3 . 1 . . . . 72 V CA . 16967 1 853 . 1 1 72 72 VAL CB C 13 32.513 0.3 . 1 . . . . 72 V CB . 16967 1 854 . 1 1 72 72 VAL CG1 C 13 21.844 0.3 . 1 . . . . 72 V CG1 . 16967 1 855 . 1 1 72 72 VAL CG2 C 13 18.604 0.3 . 1 . . . . 72 V CG2 . 16967 1 856 . 1 1 72 72 VAL N N 15 115.092 0.3 . 1 . . . . 72 V N . 16967 1 857 . 1 1 73 73 HIS H H 1 9.516 0.01 . 1 . . . . 73 H HN . 16967 1 858 . 1 1 73 73 HIS HA H 1 4.051 0.01 . 1 . . . . 73 H HA . 16967 1 859 . 1 1 73 73 HIS HB2 H 1 3.184 0.01 . 2 . . . . 73 H HB1 . 16967 1 860 . 1 1 73 73 HIS HB3 H 1 3.343 0.01 . 2 . . . . 73 H HB2 . 16967 1 861 . 1 1 73 73 HIS HD2 H 1 6.600 0.01 . 1 . . . . 73 H HD2 . 16967 1 862 . 1 1 73 73 HIS HE1 H 1 7.381 0.01 . 1 . . . . 73 H HE1 . 16967 1 863 . 1 1 73 73 HIS C C 13 176.633 0.3 . 1 . . . . 73 H C . 16967 1 864 . 1 1 73 73 HIS CA C 13 61.586 0.3 . 1 . . . . 73 H CA . 16967 1 865 . 1 1 73 73 HIS CB C 13 29.389 0.3 . 1 . . . . 73 H CB . 16967 1 866 . 1 1 73 73 HIS CD2 C 13 128.621 0.3 . 1 . . . . 73 H CD2 . 16967 1 867 . 1 1 73 73 HIS CE1 C 13 138.698 0.3 . 1 . . . . 73 H CE1 . 16967 1 868 . 1 1 73 73 HIS N N 15 121.869 0.3 . 1 . . . . 73 H N . 16967 1 869 . 1 1 74 74 THR H H 1 8.397 0.01 . 1 . . . . 74 T HN . 16967 1 870 . 1 1 74 74 THR HA H 1 3.566 0.01 . 1 . . . . 74 T HA . 16967 1 871 . 1 1 74 74 THR HB H 1 4.127 0.01 . 1 . . . . 74 T HB . 16967 1 872 . 1 1 74 74 THR HG21 H 1 1.314 0.01 . 1 . . . . 74 T HG21 . 16967 1 873 . 1 1 74 74 THR HG22 H 1 1.314 0.01 . 1 . . . . 74 T HG21 . 16967 1 874 . 1 1 74 74 THR HG23 H 1 1.314 0.01 . 1 . . . . 74 T HG21 . 16967 1 875 . 1 1 74 74 THR C C 13 176.973 0.3 . 1 . . . . 74 T C . 16967 1 876 . 1 1 74 74 THR CA C 13 65.790 0.3 . 1 . . . . 74 T CA . 16967 1 877 . 1 1 74 74 THR CB C 13 68.045 0.3 . 1 . . . . 74 T CB . 16967 1 878 . 1 1 74 74 THR CG2 C 13 22.426 0.3 . 1 . . . . 74 T CG2 . 16967 1 879 . 1 1 74 74 THR N N 15 107.039 0.3 . 1 . . . . 74 T N . 16967 1 880 . 1 1 75 75 GLU H H 1 6.993 0.01 . 1 . . . . 75 E HN . 16967 1 881 . 1 1 75 75 GLU HA H 1 4.019 0.01 . 1 . . . . 75 E HA . 16967 1 882 . 1 1 75 75 GLU HB2 H 1 1.909 0.01 . 2 . . . . 75 E HB1 . 16967 1 883 . 1 1 75 75 GLU HB3 H 1 2.404 0.01 . 2 . . . . 75 E HB2 . 16967 1 884 . 1 1 75 75 GLU HG2 H 1 2.186 0.01 . 2 . . . . 75 E HG1 . 16967 1 885 . 1 1 75 75 GLU HG3 H 1 2.186 0.01 . 2 . . . . 75 E HG2 . 16967 1 886 . 1 1 75 75 GLU C C 13 178.938 0.3 . 1 . . . . 75 E C . 16967 1 887 . 1 1 75 75 GLU CA C 13 58.714 0.3 . 1 . . . . 75 E CA . 16967 1 888 . 1 1 75 75 GLU CB C 13 30.722 0.3 . 1 . . . . 75 E CB . 16967 1 889 . 1 1 75 75 GLU CG C 13 37.749 0.3 . 1 . . . . 75 E CG . 16967 1 890 . 1 1 75 75 GLU N N 15 120.562 0.3 . 1 . . . . 75 E N . 16967 1 891 . 1 1 76 76 VAL H H 1 7.377 0.01 . 1 . . . . 76 V HN . 16967 1 892 . 1 1 76 76 VAL HA H 1 3.213 0.01 . 1 . . . . 76 V HA . 16967 1 893 . 1 1 76 76 VAL HB H 1 1.631 0.01 . 1 . . . . 76 V HB . 16967 1 894 . 1 1 76 76 VAL HG11 H 1 -0.025 0.01 . 1 . . . . 76 V HG11 . 16967 1 895 . 1 1 76 76 VAL HG12 H 1 -0.025 0.01 . 1 . . . . 76 V HG11 . 16967 1 896 . 1 1 76 76 VAL HG13 H 1 -0.025 0.01 . 1 . . . . 76 V HG11 . 16967 1 897 . 1 1 76 76 VAL HG21 H 1 0.491 0.01 . 1 . . . . 76 V HG21 . 16967 1 898 . 1 1 76 76 VAL HG22 H 1 0.491 0.01 . 1 . . . . 76 V HG21 . 16967 1 899 . 1 1 76 76 VAL HG23 H 1 0.491 0.01 . 1 . . . . 76 V HG21 . 16967 1 900 . 1 1 76 76 VAL C C 13 177.310 0.3 . 1 . . . . 76 V C . 16967 1 901 . 1 1 76 76 VAL CA C 13 67.123 0.3 . 1 . . . . 76 V CA . 16967 1 902 . 1 1 76 76 VAL CB C 13 30.927 0.3 . 1 . . . . 76 V CB . 16967 1 903 . 1 1 76 76 VAL CG1 C 13 22.542 0.3 . 1 . . . . 76 V CG1 . 16967 1 904 . 1 1 76 76 VAL CG2 C 13 21.569 0.3 . 1 . . . . 76 V CG2 . 16967 1 905 . 1 1 76 76 VAL N N 15 121.376 0.3 . 1 . . . . 76 V N . 16967 1 906 . 1 1 77 77 VAL H H 1 7.839 0.01 . 1 . . . . 77 V HN . 16967 1 907 . 1 1 77 77 VAL HA H 1 3.020 0.01 . 1 . . . . 77 V HA . 16967 1 908 . 1 1 77 77 VAL HB H 1 1.776 0.01 . 1 . . . . 77 V HB . 16967 1 909 . 1 1 77 77 VAL HG11 H 1 0.739 0.01 . 1 . . . . 77 V HG11 . 16967 1 910 . 1 1 77 77 VAL HG12 H 1 0.739 0.01 . 1 . . . . 77 V HG11 . 16967 1 911 . 1 1 77 77 VAL HG13 H 1 0.739 0.01 . 1 . . . . 77 V HG11 . 16967 1 912 . 1 1 77 77 VAL HG21 H 1 0.302 0.01 . 1 . . . . 77 V HG21 . 16967 1 913 . 1 1 77 77 VAL HG22 H 1 0.302 0.01 . 1 . . . . 77 V HG21 . 16967 1 914 . 1 1 77 77 VAL HG23 H 1 0.302 0.01 . 1 . . . . 77 V HG21 . 16967 1 915 . 1 1 77 77 VAL C C 13 177.641 0.3 . 1 . . . . 77 V C . 16967 1 916 . 1 1 77 77 VAL CA C 13 67.626 0.3 . 1 . . . . 77 V CA . 16967 1 917 . 1 1 77 77 VAL CB C 13 31.703 0.3 . 1 . . . . 77 V CB . 16967 1 918 . 1 1 77 77 VAL CG1 C 13 21.694 0.3 . 1 . . . . 77 V CG1 . 16967 1 919 . 1 1 77 77 VAL CG2 C 13 23.048 0.3 . 1 . . . . 77 V CG2 . 16967 1 920 . 1 1 77 77 VAL N N 15 118.556 0.3 . 1 . . . . 77 V N . 16967 1 921 . 1 1 78 78 GLU H H 1 7.618 0.01 . 1 . . . . 78 E HN . 16967 1 922 . 1 1 78 78 GLU HA H 1 3.871 0.01 . 1 . . . . 78 E HA . 16967 1 923 . 1 1 78 78 GLU HB2 H 1 1.942 0.01 . 2 . . . . 78 E HB1 . 16967 1 924 . 1 1 78 78 GLU HB3 H 1 2.036 0.01 . 2 . . . . 78 E HB2 . 16967 1 925 . 1 1 78 78 GLU HG2 H 1 2.195 0.01 . 2 . . . . 78 E HG1 . 16967 1 926 . 1 1 78 78 GLU HG3 H 1 2.276 0.01 . 2 . . . . 78 E HG2 . 16967 1 927 . 1 1 78 78 GLU C C 13 178.300 0.3 . 1 . . . . 78 E C . 16967 1 928 . 1 1 78 78 GLU CA C 13 59.842 0.3 . 1 . . . . 78 E CA . 16967 1 929 . 1 1 78 78 GLU CB C 13 29.286 0.3 . 1 . . . . 78 E CB . 16967 1 930 . 1 1 78 78 GLU CG C 13 36.263 0.3 . 1 . . . . 78 E CG . 16967 1 931 . 1 1 78 78 GLU N N 15 117.610 0.3 . 1 . . . . 78 E N . 16967 1 932 . 1 1 79 79 LEU H H 1 7.436 0.01 . 1 . . . . 79 L HN . 16967 1 933 . 1 1 79 79 LEU HA H 1 3.870 0.01 . 1 . . . . 79 L HA . 16967 1 934 . 1 1 79 79 LEU HB2 H 1 1.244 0.01 . 2 . . . . 79 L HB1 . 16967 1 935 . 1 1 79 79 LEU HB3 H 1 1.904 0.01 . 2 . . . . 79 L HB2 . 16967 1 936 . 1 1 79 79 LEU HD11 H 1 0.756 0.01 . 1 . . . . 79 L HD11 . 16967 1 937 . 1 1 79 79 LEU HD12 H 1 0.756 0.01 . 1 . . . . 79 L HD11 . 16967 1 938 . 1 1 79 79 LEU HD13 H 1 0.756 0.01 . 1 . . . . 79 L HD11 . 16967 1 939 . 1 1 79 79 LEU HD21 H 1 0.646 0.01 . 1 . . . . 79 L HD21 . 16967 1 940 . 1 1 79 79 LEU HD22 H 1 0.646 0.01 . 1 . . . . 79 L HD21 . 16967 1 941 . 1 1 79 79 LEU HD23 H 1 0.646 0.01 . 1 . . . . 79 L HD21 . 16967 1 942 . 1 1 79 79 LEU HG H 1 1.835 0.01 . 1 . . . . 79 L HG . 16967 1 943 . 1 1 79 79 LEU C C 13 179.639 0.3 . 1 . . . . 79 L C . 16967 1 944 . 1 1 79 79 LEU CA C 13 57.894 0.3 . 1 . . . . 79 L CA . 16967 1 945 . 1 1 79 79 LEU CB C 13 42.308 0.3 . 1 . . . . 79 L CB . 16967 1 946 . 1 1 79 79 LEU CD1 C 13 22.478 0.3 . 1 . . . . 79 L CD1 . 16967 1 947 . 1 1 79 79 LEU CD2 C 13 25.459 0.3 . 1 . . . . 79 L CD2 . 16967 1 948 . 1 1 79 79 LEU CG C 13 26.130 0.3 . 1 . . . . 79 L CG . 16967 1 949 . 1 1 79 79 LEU N N 15 117.425 0.3 . 1 . . . . 79 L N . 16967 1 950 . 1 1 80 80 ILE H H 1 7.576 0.01 . 1 . . . . 80 I HN . 16967 1 951 . 1 1 80 80 ILE HA H 1 3.448 0.01 . 1 . . . . 80 I HA . 16967 1 952 . 1 1 80 80 ILE HB H 1 1.957 0.01 . 1 . . . . 80 I HB . 16967 1 953 . 1 1 80 80 ILE HD11 H 1 0.745 0.01 . 1 . . . . 80 I HD11 . 16967 1 954 . 1 1 80 80 ILE HD12 H 1 0.745 0.01 . 1 . . . . 80 I HD11 . 16967 1 955 . 1 1 80 80 ILE HD13 H 1 0.745 0.01 . 1 . . . . 80 I HD11 . 16967 1 956 . 1 1 80 80 ILE HG12 H 1 0.748 0.01 . 2 . . . . 80 I HG11 . 16967 1 957 . 1 1 80 80 ILE HG13 H 1 1.859 0.01 . 2 . . . . 80 I HG12 . 16967 1 958 . 1 1 80 80 ILE HG21 H 1 0.771 0.01 . 1 . . . . 80 I HG21 . 16967 1 959 . 1 1 80 80 ILE HG22 H 1 0.771 0.01 . 1 . . . . 80 I HG21 . 16967 1 960 . 1 1 80 80 ILE HG23 H 1 0.771 0.01 . 1 . . . . 80 I HG21 . 16967 1 961 . 1 1 80 80 ILE C C 13 178.567 0.3 . 1 . . . . 80 I C . 16967 1 962 . 1 1 80 80 ILE CA C 13 65.277 0.3 . 1 . . . . 80 I CA . 16967 1 963 . 1 1 80 80 ILE CB C 13 38.412 0.3 . 1 . . . . 80 I CB . 16967 1 964 . 1 1 80 80 ILE CD1 C 13 14.405 0.3 . 1 . . . . 80 I CD1 . 16967 1 965 . 1 1 80 80 ILE CG1 C 13 30.154 0.3 . 1 . . . . 80 I CG1 . 16967 1 966 . 1 1 80 80 ILE CG2 C 13 17.458 0.3 . 1 . . . . 80 I CG2 . 16967 1 967 . 1 1 80 80 ILE N N 15 117.864 0.3 . 1 . . . . 80 I N . 16967 1 968 . 1 1 81 81 LEU H H 1 8.872 0.01 . 1 . . . . 81 L HN . 16967 1 969 . 1 1 81 81 LEU HA H 1 4.151 0.01 . 1 . . . . 81 L HA . 16967 1 970 . 1 1 81 81 LEU HB2 H 1 1.527 0.01 . 2 . . . . 81 L HB1 . 16967 1 971 . 1 1 81 81 LEU HB3 H 1 1.810 0.01 . 2 . . . . 81 L HB2 . 16967 1 972 . 1 1 81 81 LEU HD11 H 1 0.832 0.01 . 1 . . . . 81 L HD11 . 16967 1 973 . 1 1 81 81 LEU HD12 H 1 0.832 0.01 . 1 . . . . 81 L HD11 . 16967 1 974 . 1 1 81 81 LEU HD13 H 1 0.832 0.01 . 1 . . . . 81 L HD11 . 16967 1 975 . 1 1 81 81 LEU HD21 H 1 0.901 0.01 . 1 . . . . 81 L HD21 . 16967 1 976 . 1 1 81 81 LEU HD22 H 1 0.901 0.01 . 1 . . . . 81 L HD21 . 16967 1 977 . 1 1 81 81 LEU HD23 H 1 0.901 0.01 . 1 . . . . 81 L HD21 . 16967 1 978 . 1 1 81 81 LEU HG H 1 1.831 0.01 . 1 . . . . 81 L HG . 16967 1 979 . 1 1 81 81 LEU C C 13 180.060 0.3 . 1 . . . . 81 L C . 16967 1 980 . 1 1 81 81 LEU CA C 13 57.876 0.3 . 1 . . . . 81 L CA . 16967 1 981 . 1 1 81 81 LEU CB C 13 41.386 0.3 . 1 . . . . 81 L CB . 16967 1 982 . 1 1 81 81 LEU CD1 C 13 25.380 0.3 . 1 . . . . 81 L CD1 . 16967 1 983 . 1 1 81 81 LEU CD2 C 13 22.537 0.3 . 1 . . . . 81 L CD2 . 16967 1 984 . 1 1 81 81 LEU CG C 13 26.767 0.3 . 1 . . . . 81 L CG . 16967 1 985 . 1 1 81 81 LEU N N 15 120.209 0.3 . 1 . . . . 81 L N . 16967 1 986 . 1 1 82 82 LYS H H 1 8.087 0.01 . 1 . . . . 82 K HN . 16967 1 987 . 1 1 82 82 LYS HA H 1 4.286 0.01 . 1 . . . . 82 K HA . 16967 1 988 . 1 1 82 82 LYS HB2 H 1 1.892 0.01 . 2 . . . . 82 K HB1 . 16967 1 989 . 1 1 82 82 LYS HB3 H 1 1.892 0.01 . 2 . . . . 82 K HB2 . 16967 1 990 . 1 1 82 82 LYS HD2 H 1 1.606 0.01 . 2 . . . . 82 K HD1 . 16967 1 991 . 1 1 82 82 LYS HD3 H 1 1.606 0.01 . 2 . . . . 82 K HD2 . 16967 1 992 . 1 1 82 82 LYS HE2 H 1 2.899 0.01 . 2 . . . . 82 K HE1 . 16967 1 993 . 1 1 82 82 LYS HE3 H 1 2.899 0.01 . 2 . . . . 82 K HE2 . 16967 1 994 . 1 1 82 82 LYS HG2 H 1 1.465 0.01 . 2 . . . . 82 K HG1 . 16967 1 995 . 1 1 82 82 LYS HG3 H 1 1.550 0.01 . 2 . . . . 82 K HG2 . 16967 1 996 . 1 1 82 82 LYS C C 13 176.801 0.3 . 1 . . . . 82 K C . 16967 1 997 . 1 1 82 82 LYS CA C 13 57.074 0.3 . 1 . . . . 82 K CA . 16967 1 998 . 1 1 82 82 LYS CB C 13 32.055 0.3 . 1 . . . . 82 K CB . 16967 1 999 . 1 1 82 82 LYS CD C 13 29.455 0.3 . 1 . . . . 82 K CD . 16967 1 1000 . 1 1 82 82 LYS CE C 13 42.057 0.3 . 1 . . . . 82 K CE . 16967 1 1001 . 1 1 82 82 LYS CG C 13 24.931 0.3 . 1 . . . . 82 K CG . 16967 1 1002 . 1 1 82 82 LYS N N 15 117.016 0.3 . 1 . . . . 82 K N . 16967 1 1003 . 1 1 83 83 SER H H 1 7.303 0.01 . 1 . . . . 83 S HN . 16967 1 1004 . 1 1 83 83 SER HA H 1 4.166 0.01 . 1 . . . . 83 S HA . 16967 1 1005 . 1 1 83 83 SER HB2 H 1 4.113 0.01 . 2 . . . . 83 S HB1 . 16967 1 1006 . 1 1 83 83 SER HB3 H 1 4.041 0.01 . 2 . . . . 83 S HB2 . 16967 1 1007 . 1 1 83 83 SER C C 13 174.947 0.3 . 1 . . . . 83 S C . 16967 1 1008 . 1 1 83 83 SER CA C 13 59.740 0.3 . 1 . . . . 83 S CA . 16967 1 1009 . 1 1 83 83 SER CB C 13 63.534 0.3 . 1 . . . . 83 S CB . 16967 1 1010 . 1 1 83 83 SER N N 15 113.885 0.3 . 1 . . . . 83 S N . 16967 1 1011 . 1 1 84 84 GLY H H 1 7.888 0.01 . 1 . . . . 84 G HN . 16967 1 1012 . 1 1 84 84 GLY HA2 H 1 3.680 0.01 . 2 . . . . 84 G HA1 . 16967 1 1013 . 1 1 84 84 GLY HA3 H 1 4.227 0.01 . 2 . . . . 84 G HA2 . 16967 1 1014 . 1 1 84 84 GLY C C 13 175.009 0.3 . 1 . . . . 84 G C . 16967 1 1015 . 1 1 84 84 GLY CA C 13 45.662 0.3 . 1 . . . . 84 G CA . 16967 1 1016 . 1 1 84 84 GLY N N 15 106.690 0.3 . 1 . . . . 84 G N . 16967 1 1017 . 1 1 85 85 ASN H H 1 8.553 0.01 . 1 . . . . 85 N HN . 16967 1 1018 . 1 1 85 85 ASN HA H 1 4.531 0.01 . 1 . . . . 85 N HA . 16967 1 1019 . 1 1 85 85 ASN HB2 H 1 2.941 0.01 . 2 . . . . 85 N HB1 . 16967 1 1020 . 1 1 85 85 ASN HB3 H 1 2.941 0.01 . 2 . . . . 85 N HB2 . 16967 1 1021 . 1 1 85 85 ASN HD21 H 1 7.598 0.01 . 2 . . . . 85 N HD21 . 16967 1 1022 . 1 1 85 85 ASN HD22 H 1 6.898 0.01 . 2 . . . . 85 N HD22 . 16967 1 1023 . 1 1 85 85 ASN C C 13 173.847 0.3 . 1 . . . . 85 N C . 16967 1 1024 . 1 1 85 85 ASN CA C 13 54.386 0.3 . 1 . . . . 85 N CA . 16967 1 1025 . 1 1 85 85 ASN CB C 13 38.785 0.3 . 1 . . . . 85 N CB . 16967 1 1026 . 1 1 85 85 ASN N N 15 119.045 0.3 . 1 . . . . 85 N N . 16967 1 1027 . 1 1 85 85 ASN ND2 N 15 112.444 0.3 . 1 . . . . 85 N ND2 . 16967 1 1028 . 1 1 86 86 LYS H H 1 7.692 0.01 . 1 . . . . 86 K HN . 16967 1 1029 . 1 1 86 86 LYS HA H 1 5.470 0.01 . 1 . . . . 86 K HA . 16967 1 1030 . 1 1 86 86 LYS HB2 H 1 1.298 0.01 . 2 . . . . 86 K HB1 . 16967 1 1031 . 1 1 86 86 LYS HB3 H 1 1.590 0.01 . 2 . . . . 86 K HB2 . 16967 1 1032 . 1 1 86 86 LYS HD2 H 1 1.431 0.01 . 2 . . . . 86 K HD1 . 16967 1 1033 . 1 1 86 86 LYS HD3 H 1 1.431 0.01 . 2 . . . . 86 K HD2 . 16967 1 1034 . 1 1 86 86 LYS HE2 H 1 2.801 0.01 . 2 . . . . 86 K HE1 . 16967 1 1035 . 1 1 86 86 LYS HE3 H 1 2.801 0.01 . 2 . . . . 86 K HE2 . 16967 1 1036 . 1 1 86 86 LYS HG2 H 1 0.996 0.01 . 2 . . . . 86 K HG1 . 16967 1 1037 . 1 1 86 86 LYS HG3 H 1 1.130 0.01 . 2 . . . . 86 K HG2 . 16967 1 1038 . 1 1 86 86 LYS C C 13 173.905 0.3 . 1 . . . . 86 K C . 16967 1 1039 . 1 1 86 86 LYS CA C 13 55.126 0.3 . 1 . . . . 86 K CA . 16967 1 1040 . 1 1 86 86 LYS CB C 13 35.398 0.3 . 1 . . . . 86 K CB . 16967 1 1041 . 1 1 86 86 LYS CD C 13 29.701 0.3 . 1 . . . . 86 K CD . 16967 1 1042 . 1 1 86 86 LYS CE C 13 42.080 0.3 . 1 . . . . 86 K CE . 16967 1 1043 . 1 1 86 86 LYS CG C 13 23.332 0.3 . 1 . . . . 86 K CG . 16967 1 1044 . 1 1 86 86 LYS N N 15 118.742 0.3 . 1 . . . . 86 K N . 16967 1 1045 . 1 1 87 87 VAL H H 1 8.629 0.01 . 1 . . . . 87 V HN . 16967 1 1046 . 1 1 87 87 VAL HA H 1 4.535 0.01 . 1 . . . . 87 V HA . 16967 1 1047 . 1 1 87 87 VAL HB H 1 1.854 0.01 . 1 . . . . 87 V HB . 16967 1 1048 . 1 1 87 87 VAL HG11 H 1 0.214 0.01 . 1 . . . . 87 V HG11 . 16967 1 1049 . 1 1 87 87 VAL HG12 H 1 0.214 0.01 . 1 . . . . 87 V HG11 . 16967 1 1050 . 1 1 87 87 VAL HG13 H 1 0.214 0.01 . 1 . . . . 87 V HG11 . 16967 1 1051 . 1 1 87 87 VAL HG21 H 1 0.803 0.01 . 1 . . . . 87 V HG21 . 16967 1 1052 . 1 1 87 87 VAL HG22 H 1 0.803 0.01 . 1 . . . . 87 V HG21 . 16967 1 1053 . 1 1 87 87 VAL HG23 H 1 0.803 0.01 . 1 . . . . 87 V HG21 . 16967 1 1054 . 1 1 87 87 VAL C C 13 170.328 0.3 . 1 . . . . 87 V C . 16967 1 1055 . 1 1 87 87 VAL CA C 13 59.842 0.3 . 1 . . . . 87 V CA . 16967 1 1056 . 1 1 87 87 VAL CB C 13 34.926 0.3 . 1 . . . . 87 V CB . 16967 1 1057 . 1 1 87 87 VAL CG1 C 13 19.040 0.3 . 1 . . . . 87 V CG1 . 16967 1 1058 . 1 1 87 87 VAL CG2 C 13 22.721 0.3 . 1 . . . . 87 V CG2 . 16967 1 1059 . 1 1 87 87 VAL N N 15 119.977 0.3 . 1 . . . . 87 V N . 16967 1 1060 . 1 1 88 88 ALA H H 1 8.055 0.01 . 1 . . . . 88 A HN . 16967 1 1061 . 1 1 88 88 ALA HA H 1 5.280 0.01 . 1 . . . . 88 A HA . 16967 1 1062 . 1 1 88 88 ALA HB1 H 1 1.192 0.01 . 1 . . . . 88 A HB1 . 16967 1 1063 . 1 1 88 88 ALA HB2 H 1 1.192 0.01 . 1 . . . . 88 A HB1 . 16967 1 1064 . 1 1 88 88 ALA HB3 H 1 1.192 0.01 . 1 . . . . 88 A HB1 . 16967 1 1065 . 1 1 88 88 ALA C C 13 176.924 0.3 . 1 . . . . 88 A C . 16967 1 1066 . 1 1 88 88 ALA CA C 13 49.486 0.3 . 1 . . . . 88 A CA . 16967 1 1067 . 1 1 88 88 ALA CB C 13 20.263 0.3 . 1 . . . . 88 A CB . 16967 1 1068 . 1 1 88 88 ALA N N 15 128.613 0.3 . 1 . . . . 88 A N . 16967 1 1069 . 1 1 89 89 ILE H H 1 9.520 0.01 . 1 . . . . 89 I HN . 16967 1 1070 . 1 1 89 89 ILE HA H 1 4.711 0.01 . 1 . . . . 89 I HA . 16967 1 1071 . 1 1 89 89 ILE HB H 1 1.677 0.01 . 1 . . . . 89 I HB . 16967 1 1072 . 1 1 89 89 ILE HD11 H 1 0.601 0.01 . 1 . . . . 89 I HD11 . 16967 1 1073 . 1 1 89 89 ILE HD12 H 1 0.601 0.01 . 1 . . . . 89 I HD11 . 16967 1 1074 . 1 1 89 89 ILE HD13 H 1 0.601 0.01 . 1 . . . . 89 I HD11 . 16967 1 1075 . 1 1 89 89 ILE HG12 H 1 1.109 0.01 . 2 . . . . 89 I HG11 . 16967 1 1076 . 1 1 89 89 ILE HG13 H 1 1.253 0.01 . 2 . . . . 89 I HG12 . 16967 1 1077 . 1 1 89 89 ILE HG21 H 1 0.685 0.01 . 1 . . . . 89 I HG21 . 16967 1 1078 . 1 1 89 89 ILE HG22 H 1 0.685 0.01 . 1 . . . . 89 I HG21 . 16967 1 1079 . 1 1 89 89 ILE HG23 H 1 0.685 0.01 . 1 . . . . 89 I HG21 . 16967 1 1080 . 1 1 89 89 ILE C C 13 175.187 0.3 . 1 . . . . 89 I C . 16967 1 1081 . 1 1 89 89 ILE CA C 13 59.022 0.3 . 1 . . . . 89 I CA . 16967 1 1082 . 1 1 89 89 ILE CB C 13 39.950 0.3 . 1 . . . . 89 I CB . 16967 1 1083 . 1 1 89 89 ILE CD1 C 13 12.391 0.3 . 1 . . . . 89 I CD1 . 16967 1 1084 . 1 1 89 89 ILE CG1 C 13 27.470 0.3 . 1 . . . . 89 I CG1 . 16967 1 1085 . 1 1 89 89 ILE CG2 C 13 18.571 0.3 . 1 . . . . 89 I CG2 . 16967 1 1086 . 1 1 89 89 ILE N N 15 127.064 0.3 . 1 . . . . 89 I N . 16967 1 1087 . 1 1 90 90 SER H H 1 8.625 0.01 . 1 . . . . 90 S HN . 16967 1 1088 . 1 1 90 90 SER HA H 1 5.121 0.01 . 1 . . . . 90 S HA . 16967 1 1089 . 1 1 90 90 SER HB2 H 1 3.850 0.01 . 2 . . . . 90 S HB1 . 16967 1 1090 . 1 1 90 90 SER HB3 H 1 3.991 0.01 . 2 . . . . 90 S HB2 . 16967 1 1091 . 1 1 90 90 SER C C 13 174.009 0.3 . 1 . . . . 90 S C . 16967 1 1092 . 1 1 90 90 SER CA C 13 58.202 0.3 . 1 . . . . 90 S CA . 16967 1 1093 . 1 1 90 90 SER CB C 13 63.329 0.3 . 1 . . . . 90 S CB . 16967 1 1094 . 1 1 90 90 SER N N 15 124.612 0.3 . 1 . . . . 90 S N . 16967 1 1095 . 1 1 91 91 THR H H 1 8.621 0.01 . 1 . . . . 91 T HN . 16967 1 1096 . 1 1 91 91 THR HA H 1 5.797 0.01 . 1 . . . . 91 T HA . 16967 1 1097 . 1 1 91 91 THR HB H 1 4.137 0.01 . 1 . . . . 91 T HB . 16967 1 1098 . 1 1 91 91 THR HG21 H 1 0.880 0.01 . 1 . . . . 91 T HG21 . 16967 1 1099 . 1 1 91 91 THR HG22 H 1 0.880 0.01 . 1 . . . . 91 T HG21 . 16967 1 1100 . 1 1 91 91 THR HG23 H 1 0.880 0.01 . 1 . . . . 91 T HG21 . 16967 1 1101 . 1 1 91 91 THR C C 13 174.789 0.3 . 1 . . . . 91 T C . 16967 1 1102 . 1 1 91 91 THR CA C 13 59.022 0.3 . 1 . . . . 91 T CA . 16967 1 1103 . 1 1 91 91 THR CB C 13 72.967 0.3 . 1 . . . . 91 T CB . 16967 1 1104 . 1 1 91 91 THR CG2 C 13 21.849 0.3 . 1 . . . . 91 T CG2 . 16967 1 1105 . 1 1 91 91 THR N N 15 114.890 0.3 . 1 . . . . 91 T N . 16967 1 1106 . 1 1 92 92 THR H H 1 8.910 0.01 . 1 . . . . 92 T HN . 16967 1 1107 . 1 1 92 92 THR HA H 1 4.807 0.01 . 1 . . . . 92 T HA . 16967 1 1108 . 1 1 92 92 THR HB H 1 4.025 0.01 . 1 . . . . 92 T HB . 16967 1 1109 . 1 1 92 92 THR HG21 H 1 1.114 0.01 . 1 . . . . 92 T HG21 . 16967 1 1110 . 1 1 92 92 THR HG22 H 1 1.114 0.01 . 1 . . . . 92 T HG21 . 16967 1 1111 . 1 1 92 92 THR HG23 H 1 1.114 0.01 . 1 . . . . 92 T HG21 . 16967 1 1112 . 1 1 92 92 THR CA C 13 59.415 0.3 . 1 . . . . 92 T CA . 16967 1 1113 . 1 1 92 92 THR CB C 13 71.629 0.3 . 1 . . . . 92 T CB . 16967 1 1114 . 1 1 92 92 THR CG2 C 13 21.092 0.3 . 1 . . . . 92 T CG2 . 16967 1 1115 . 1 1 92 92 THR N N 15 116.291 0.3 . 1 . . . . 92 T N . 16967 1 1116 . 1 1 93 93 PRO HA H 1 4.612 0.01 . 1 . . . . 93 P HA . 16967 1 1117 . 1 1 93 93 PRO HB2 H 1 1.798 0.01 . 2 . . . . 93 P HB1 . 16967 1 1118 . 1 1 93 93 PRO HB3 H 1 2.224 0.01 . 2 . . . . 93 P HB2 . 16967 1 1119 . 1 1 93 93 PRO HD2 H 1 3.651 0.01 . 2 . . . . 93 P HD1 . 16967 1 1120 . 1 1 93 93 PRO HD3 H 1 3.751 0.01 . 2 . . . . 93 P HD2 . 16967 1 1121 . 1 1 93 93 PRO HG2 H 1 1.938 0.01 . 2 . . . . 93 P HG1 . 16967 1 1122 . 1 1 93 93 PRO HG3 H 1 1.938 0.01 . 2 . . . . 93 P HG2 . 16967 1 1123 . 1 1 93 93 PRO C C 13 176.668 0.3 . 1 . . . . 93 P C . 16967 1 1124 . 1 1 93 93 PRO CA C 13 62.594 0.3 . 1 . . . . 93 P CA . 16967 1 1125 . 1 1 93 93 PRO CB C 13 32.305 0.3 . 1 . . . . 93 P CB . 16967 1 1126 . 1 1 93 93 PRO CD C 13 51.324 0.3 . 1 . . . . 93 P CD . 16967 1 1127 . 1 1 93 93 PRO CG C 13 27.430 0.3 . 1 . . . . 93 P CG . 16967 1 1128 . 1 1 94 94 LEU H H 1 8.459 0.01 . 1 . . . . 94 L HN . 16967 1 1129 . 1 1 94 94 LEU HA H 1 4.210 0.01 . 1 . . . . 94 L HA . 16967 1 1130 . 1 1 94 94 LEU HB2 H 1 1.675 0.01 . 2 . . . . 94 L HB1 . 16967 1 1131 . 1 1 94 94 LEU HB3 H 1 1.495 0.01 . 2 . . . . 94 L HB2 . 16967 1 1132 . 1 1 94 94 LEU HD11 H 1 0.819 0.01 . 1 . . . . 94 L HD11 . 16967 1 1133 . 1 1 94 94 LEU HD12 H 1 0.819 0.01 . 1 . . . . 94 L HD11 . 16967 1 1134 . 1 1 94 94 LEU HD13 H 1 0.819 0.01 . 1 . . . . 94 L HD11 . 16967 1 1135 . 1 1 94 94 LEU HD21 H 1 0.819 0.01 . 1 . . . . 94 L HD21 . 16967 1 1136 . 1 1 94 94 LEU HD22 H 1 0.819 0.01 . 1 . . . . 94 L HD21 . 16967 1 1137 . 1 1 94 94 LEU HD23 H 1 0.819 0.01 . 1 . . . . 94 L HD21 . 16967 1 1138 . 1 1 94 94 LEU HG H 1 1.527 0.01 . 1 . . . . 94 L HG . 16967 1 1139 . 1 1 94 94 LEU C C 13 176.802 0.3 . 1 . . . . 94 L C . 16967 1 1140 . 1 1 94 94 LEU CA C 13 55.926 0.3 . 1 . . . . 94 L CA . 16967 1 1141 . 1 1 94 94 LEU CB C 13 42.480 0.3 . 1 . . . . 94 L CB . 16967 1 1142 . 1 1 94 94 LEU CD1 C 13 25.041 0.3 . 1 . . . . 94 L CD1 . 16967 1 1143 . 1 1 94 94 LEU CD2 C 13 24.340 0.3 . 1 . . . . 94 L CD2 . 16967 1 1144 . 1 1 94 94 LEU CG C 13 27.079 0.3 . 1 . . . . 94 L CG . 16967 1 1145 . 1 1 94 94 LEU N N 15 123.355 0.3 . 1 . . . . 94 L N . 16967 1 1146 . 1 1 95 95 GLU H H 1 8.293 0.01 . 1 . . . . 95 E HN . 16967 1 1147 . 1 1 95 95 GLU HA H 1 4.325 0.01 . 1 . . . . 95 E HA . 16967 1 1148 . 1 1 95 95 GLU HB2 H 1 1.837 0.01 . 2 . . . . 95 E HB1 . 16967 1 1149 . 1 1 95 95 GLU HB3 H 1 2.003 0.01 . 2 . . . . 95 E HB2 . 16967 1 1150 . 1 1 95 95 GLU HG2 H 1 2.158 0.01 . 2 . . . . 95 E HG1 . 16967 1 1151 . 1 1 95 95 GLU HG3 H 1 2.158 0.01 . 2 . . . . 95 E HG2 . 16967 1 1152 . 1 1 95 95 GLU C C 13 174.963 0.3 . 1 . . . . 95 E C . 16967 1 1153 . 1 1 95 95 GLU CA C 13 56.048 0.3 . 1 . . . . 95 E CA . 16967 1 1154 . 1 1 95 95 GLU CB C 13 30.722 0.3 . 1 . . . . 95 E CB . 16967 1 1155 . 1 1 95 95 GLU CG C 13 36.173 0.3 . 1 . . . . 95 E CG . 16967 1 1156 . 1 1 95 95 GLU N N 15 123.310 0.3 . 1 . . . . 95 E N . 16967 1 1157 . 1 1 96 96 ASN H H 1 7.992 0.01 . 1 . . . . 96 N HN . 16967 1 1158 . 1 1 96 96 ASN HA H 1 4.411 0.01 . 1 . . . . 96 N HA . 16967 1 1159 . 1 1 96 96 ASN HB2 H 1 2.611 0.01 . 2 . . . . 96 N HB1 . 16967 1 1160 . 1 1 96 96 ASN HB3 H 1 2.685 0.01 . 2 . . . . 96 N HB2 . 16967 1 1161 . 1 1 96 96 ASN HD21 H 1 7.445 0.01 . 2 . . . . 96 N HD21 . 16967 1 1162 . 1 1 96 96 ASN HD22 H 1 6.720 0.01 . 2 . . . . 96 N HD22 . 16967 1 1163 . 1 1 96 96 ASN CA C 13 54.797 0.3 . 1 . . . . 96 N CA . 16967 1 1164 . 1 1 96 96 ASN CB C 13 40.632 0.3 . 1 . . . . 96 N CB . 16967 1 1165 . 1 1 96 96 ASN N N 15 125.546 0.3 . 1 . . . . 96 N N . 16967 1 1166 . 1 1 96 96 ASN ND2 N 15 112.444 0.3 . 1 . . . . 96 N ND2 . 16967 1 stop_ save_