data_5047 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5047 _Entry.Title ; NMR structure of the LCCL Domain and its Implications for DFNA9 Deafness Disorder ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-06-06 _Entry.Accession_date 2001-06-06 _Entry.Last_release_date 2001-06-06 _Entry.Original_release_date 2001-06-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Edvards Liepinsh . . . . 5047 2 Maria Trexler . . . . 5047 3 Andrei Kaikkonen . . . . 5047 4 Johan Weigelt . . . . 5047 5 Laszlo Banyai . . . . 5047 6 Laszlo Patthy . . . . 5047 7 Gottfried Otting . . . . 5047 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5047 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 108 5047 '1H chemical shifts' 685 5047 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 . . 2001-11-14 . original BMRB . 5047 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5047 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11574466 _Citation.Full_citation . _Citation.Title ; NMR structure of the LCCL Domain and its Implications for DFNA9 Deafness Disorder ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'EMBO Journal' _Citation.Journal_volume 20 _Citation.Journal_issue 19 _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 5347 _Citation.Page_last 5353 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Edvards Liepinsh . . . . 5047 1 2 Maria Trexler . . . . 5047 1 3 Andrei Kaikkonen . . . . 5047 1 4 Johan Weigelt . . . . 5047 1 5 Laszlo Banyai . . . . 5047 1 6 Laszlo Patthy . . . . 5047 1 7 Gottfried Otting . . . . 5047 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'LCCL domain' 5047 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_LCCL_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_LCCL_domain _Assembly.Entry_ID 5047 _Assembly.ID 1 _Assembly.Name 'LCCL module of human coch-5b2 protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5047 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'LCCL domain 1' 1 $LCCL_monomer . . . native . . . . . 5047 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 24 24 SG . . . . . . . . . . . . 5047 1 2 disulfide single . 1 . 1 CYS 28 28 SG . 1 . 1 CYS 48 48 SG . . . . . . . . . . . . 5047 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1JBI . . . . . . 5047 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'LCCL domain' abbreviation 5047 1 'LCCL module of human coch-5b2 protein' system 5047 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LCCL_monomer _Entity.Sf_category entity _Entity.Sf_framecode LCCL_monomer _Entity.Entry_ID 5047 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Human coch-5h2 protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TAPIAITCFTRGLDIRKEKA DVLCPGGCPLEEFSVYGNIV YASVSSICGAAVHRGVISNS GGPVRVYSLPGRENYSSVDA NGIQSQMLSRWSASFTVTLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10467 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . no PDB 1JBI . 'Nmr Structure Of The Lccl Domain' . . . . . 99.00 100 100.00 100.00 6.33e-51 . . . . 5047 1 . no DBJ BAF85413 . 'unnamed protein product [Homo sapiens]' . . . . . 97.00 550 100.00 100.00 8.48e-51 . . . . 5047 1 . no GenBank AAC39545 . 'Coch-5B2 gene product [Homo sapiens]' . . . . . 97.00 550 100.00 100.00 8.48e-51 . . . . 5047 1 . no GenBank AAH07230 . 'COCH protein [Homo sapiens]' . . . . . 97.00 494 100.00 100.00 7.61e-51 . . . . 5047 1 . no GenBank AAQ89259 . 'COCH [Homo sapiens]' . . . . . 97.00 550 100.00 100.00 8.48e-51 . . . . 5047 1 . no GenBank AAW82432 . 'coagulation factor C homolog, cochlin (Limulus polyphemus) [Homo sapiens]' . . . . . 97.00 550 100.00 100.00 8.48e-51 . . . . 5047 1 . no GenBank EAW65963 . 'coagulation factor C homolog, cochlin (Limulus polyphemus), isoform CRA_a [Homo sapiens]' . . . . . 97.00 550 100.00 100.00 8.48e-51 . . . . 5047 1 . no REF NP_004077 . 'coagulation factor C homolog, cochlin precursor [Homo sapiens]' . . . . . 97.00 550 100.00 100.00 8.48e-51 . . . . 5047 1 . no REF XP_001114738 . 'PREDICTED: similar to coagulation factor C homolog, cochlin precursor isoform 1 [Macaca mulatta]' . . . . . 97.00 509 100.00 100.00 6.23e-51 . . . . 5047 1 . no REF XP_001114756 . 'PREDICTED: similar to coagulation factor C homolog, cochlin precursor isoform 2 [Macaca mulatta]' . . . . . 97.00 494 100.00 100.00 7.54e-51 . . . . 5047 1 . no REF XP_001114785 . 'PREDICTED: similar to coagulation factor C homolog, cochlin precursor isoform 3 [Macaca mulatta]' . . . . . 97.00 550 100.00 100.00 7.73e-51 . . . . 5047 1 . no REF XP_001114797 . 'PREDICTED: similar to coagulation factor C homolog, cochlin precursor isoform 4 [Macaca mulatta]' . . . . . 97.00 550 100.00 100.00 7.73e-51 . . . . 5047 1 . no SWISS-PROT O43405 . 'Cochlin precursor (COCH-5B2)' . . . . . 97.00 550 100.00 100.00 8.48e-51 . . . . 5047 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Human coch-5h2 protein' common 5047 1 'human cochlear protein' abbreviation 5047 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 . THR . 5047 1 2 . ALA . 5047 1 3 . PRO . 5047 1 4 . ILE . 5047 1 5 . ALA . 5047 1 6 . ILE . 5047 1 7 . THR . 5047 1 8 . CYS . 5047 1 9 . PHE . 5047 1 10 . THR . 5047 1 11 . ARG . 5047 1 12 . GLY . 5047 1 13 . LEU . 5047 1 14 . ASP . 5047 1 15 . ILE . 5047 1 16 . ARG . 5047 1 17 . LYS . 5047 1 18 . GLU . 5047 1 19 . LYS . 5047 1 20 . ALA . 5047 1 21 . ASP . 5047 1 22 . VAL . 5047 1 23 . LEU . 5047 1 24 . CYS . 5047 1 25 . PRO . 5047 1 26 . GLY . 5047 1 27 . GLY . 5047 1 28 . CYS . 5047 1 29 . PRO . 5047 1 30 . LEU . 5047 1 31 . GLU . 5047 1 32 . GLU . 5047 1 33 . PHE . 5047 1 34 . SER . 5047 1 35 . VAL . 5047 1 36 . TYR . 5047 1 37 . GLY . 5047 1 38 . ASN . 5047 1 39 . ILE . 5047 1 40 . VAL . 5047 1 41 . TYR . 5047 1 42 . ALA . 5047 1 43 . SER . 5047 1 44 . VAL . 5047 1 45 . SER . 5047 1 46 . SER . 5047 1 47 . ILE . 5047 1 48 . CYS . 5047 1 49 . GLY . 5047 1 50 . ALA . 5047 1 51 . ALA . 5047 1 52 . VAL . 5047 1 53 . HIS . 5047 1 54 . ARG . 5047 1 55 . GLY . 5047 1 56 . VAL . 5047 1 57 . ILE . 5047 1 58 . SER . 5047 1 59 . ASN . 5047 1 60 . SER . 5047 1 61 . GLY . 5047 1 62 . GLY . 5047 1 63 . PRO . 5047 1 64 . VAL . 5047 1 65 . ARG . 5047 1 66 . VAL . 5047 1 67 . TYR . 5047 1 68 . SER . 5047 1 69 . LEU . 5047 1 70 . PRO . 5047 1 71 . GLY . 5047 1 72 . ARG . 5047 1 73 . GLU . 5047 1 74 . ASN . 5047 1 75 . TYR . 5047 1 76 . SER . 5047 1 77 . SER . 5047 1 78 . VAL . 5047 1 79 . ASP . 5047 1 80 . ALA . 5047 1 81 . ASN . 5047 1 82 . GLY . 5047 1 83 . ILE . 5047 1 84 . GLN . 5047 1 85 . SER . 5047 1 86 . GLN . 5047 1 87 . MET . 5047 1 88 . LEU . 5047 1 89 . SER . 5047 1 90 . ARG . 5047 1 91 . TRP . 5047 1 92 . SER . 5047 1 93 . ALA . 5047 1 94 . SER . 5047 1 95 . PHE . 5047 1 96 . THR . 5047 1 97 . VAL . 5047 1 98 . THR . 5047 1 99 . LEU . 5047 1 100 . GLU . 5047 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 . THR 1 1 5047 1 . ALA 2 2 5047 1 . PRO 3 3 5047 1 . ILE 4 4 5047 1 . ALA 5 5 5047 1 . ILE 6 6 5047 1 . THR 7 7 5047 1 . CYS 8 8 5047 1 . PHE 9 9 5047 1 . THR 10 10 5047 1 . ARG 11 11 5047 1 . GLY 12 12 5047 1 . LEU 13 13 5047 1 . ASP 14 14 5047 1 . ILE 15 15 5047 1 . ARG 16 16 5047 1 . LYS 17 17 5047 1 . GLU 18 18 5047 1 . LYS 19 19 5047 1 . ALA 20 20 5047 1 . ASP 21 21 5047 1 . VAL 22 22 5047 1 . LEU 23 23 5047 1 . CYS 24 24 5047 1 . PRO 25 25 5047 1 . GLY 26 26 5047 1 . GLY 27 27 5047 1 . CYS 28 28 5047 1 . PRO 29 29 5047 1 . LEU 30 30 5047 1 . GLU 31 31 5047 1 . GLU 32 32 5047 1 . PHE 33 33 5047 1 . SER 34 34 5047 1 . VAL 35 35 5047 1 . TYR 36 36 5047 1 . GLY 37 37 5047 1 . ASN 38 38 5047 1 . ILE 39 39 5047 1 . VAL 40 40 5047 1 . TYR 41 41 5047 1 . ALA 42 42 5047 1 . SER 43 43 5047 1 . VAL 44 44 5047 1 . SER 45 45 5047 1 . SER 46 46 5047 1 . ILE 47 47 5047 1 . CYS 48 48 5047 1 . GLY 49 49 5047 1 . ALA 50 50 5047 1 . ALA 51 51 5047 1 . VAL 52 52 5047 1 . HIS 53 53 5047 1 . ARG 54 54 5047 1 . GLY 55 55 5047 1 . VAL 56 56 5047 1 . ILE 57 57 5047 1 . SER 58 58 5047 1 . ASN 59 59 5047 1 . SER 60 60 5047 1 . GLY 61 61 5047 1 . GLY 62 62 5047 1 . PRO 63 63 5047 1 . VAL 64 64 5047 1 . ARG 65 65 5047 1 . VAL 66 66 5047 1 . TYR 67 67 5047 1 . SER 68 68 5047 1 . LEU 69 69 5047 1 . PRO 70 70 5047 1 . GLY 71 71 5047 1 . ARG 72 72 5047 1 . GLU 73 73 5047 1 . ASN 74 74 5047 1 . TYR 75 75 5047 1 . SER 76 76 5047 1 . SER 77 77 5047 1 . VAL 78 78 5047 1 . ASP 79 79 5047 1 . ALA 80 80 5047 1 . ASN 81 81 5047 1 . GLY 82 82 5047 1 . ILE 83 83 5047 1 . GLN 84 84 5047 1 . SER 85 85 5047 1 . GLN 86 86 5047 1 . MET 87 87 5047 1 . LEU 88 88 5047 1 . SER 89 89 5047 1 . ARG 90 90 5047 1 . TRP 91 91 5047 1 . SER 92 92 5047 1 . ALA 93 93 5047 1 . SER 94 94 5047 1 . PHE 95 95 5047 1 . THR 96 96 5047 1 . VAL 97 97 5047 1 . THR 98 98 5047 1 . LEU 99 99 5047 1 . GLU 100 100 5047 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5047 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $LCCL_monomer . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 5047 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 5047 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $LCCL_monomer . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli JM-109 . . plasmid . . pmed23 . . . 5047 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5047 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human coch-5h2 protein' . . . 1 $LCCL_monomer . . 1.0 . . mM . . . . 5047 1 2 NaCl . . . . . . . 0.1 . . M . . . . 5047 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5047 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human coch-5h2 protein' '[U-95% 15N]' . . 1 $LCCL_monomer . . 3.0 . . mg/mL . . . . 5047 2 2 NaCl . . . . . . . 0.1 . . M . . . . 5047 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5047 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human coch-5h2 protein' '[U-95% 15N]' . . 1 $LCCL_monomer . . 3.3 . . mg/mL . . . . 5047 3 2 NaCl . . . . . . . 0.1 . . M . . . . 5047 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5047 _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' 0.1 . M 5047 1 pH 4.9 0.2 n/a 5047 1 temperature 301 1 K 5047 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5047 _Software.ID 1 _Software.Type . _Software.Name XWINNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral processing' 5047 1 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 5047 _Software.ID 2 _Software.Type . _Software.Name PROSA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral processing' 5047 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5047 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5047 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5047 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5047 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 500 . . . 5047 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5047 1 3 NMR_spectrometer_3 Varian UnityPlus . 800 . . . 5047 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 5047 _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-1H DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5047 1 2 '2D 1H-1H HOHAHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5047 1 3 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5047 1 4 '2D 1H-1H ROESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5047 1 5 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5047 1 6 '3D 1H-1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5047 1 7 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5047 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5047 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . cylindrical . . . 5047 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 5047 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5047 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H DQF-COSY' . . . 5047 1 2 '2D 1H-1H HOHAHA' . . . 5047 1 3 '2D 1H-1H NOESY' . . . 5047 1 4 '2D 1H-1H ROESY' . . . 5047 1 5 '2D 1H-15N HSQC' . . . 5047 1 6 '3D 1H-1H-15N TOCSY' . . . 5047 1 7 '3D 1H-1H-15N NOESY' . . . 5047 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 THR HA H 1 3.836 0.020 . 1 . . . . . . . . . 5047 1 2 . 1 1 1 1 THR HB H 1 4.122 0.020 . 1 . . . . . . . . . 5047 1 3 . 1 1 1 1 THR HG21 H 1 1.328 0.020 . 1 . . . . . . . . . 5047 1 4 . 1 1 1 1 THR HG22 H 1 1.328 0.020 . 1 . . . . . . . . . 5047 1 5 . 1 1 1 1 THR HG23 H 1 1.328 0.020 . 1 . . . . . . . . . 5047 1 6 . 1 1 2 2 ALA N N 15 128.900 0.100 . 1 . . . . . . . . . 5047 1 7 . 1 1 2 2 ALA H H 1 8.763 0.020 . 1 . . . . . . . . . 5047 1 8 . 1 1 2 2 ALA HA H 1 4.641 0.020 . 1 . . . . . . . . . 5047 1 9 . 1 1 2 2 ALA HB1 H 1 1.374 0.020 . 1 . . . . . . . . . 5047 1 10 . 1 1 2 2 ALA HB2 H 1 1.374 0.020 . 1 . . . . . . . . . 5047 1 11 . 1 1 2 2 ALA HB3 H 1 1.374 0.020 . 1 . . . . . . . . . 5047 1 12 . 1 1 3 3 PRO HA H 1 4.281 0.020 . 1 . . . . . . . . . 5047 1 13 . 1 1 3 3 PRO HB2 H 1 1.463 0.020 . 1 . . . . . . . . . 5047 1 14 . 1 1 3 3 PRO HB3 H 1 1.863 0.020 . 1 . . . . . . . . . 5047 1 15 . 1 1 3 3 PRO HG2 H 1 1.913 0.020 . 1 . . . . . . . . . 5047 1 16 . 1 1 3 3 PRO HG3 H 1 1.913 0.020 . 1 . . . . . . . . . 5047 1 17 . 1 1 3 3 PRO HD2 H 1 3.612 0.020 . 2 . . . . . . . . . 5047 1 18 . 1 1 3 3 PRO HD3 H 1 3.765 0.020 . 2 . . . . . . . . . 5047 1 19 . 1 1 4 4 ILE N N 15 121.300 0.100 . 1 . . . . . . . . . 5047 1 20 . 1 1 4 4 ILE H H 1 8.242 0.020 . 1 . . . . . . . . . 5047 1 21 . 1 1 4 4 ILE HA H 1 4.076 0.020 . 1 . . . . . . . . . 5047 1 22 . 1 1 4 4 ILE HB H 1 1.781 0.020 . 1 . . . . . . . . . 5047 1 23 . 1 1 4 4 ILE HG21 H 1 0.883 0.020 . 1 . . . . . . . . . 5047 1 24 . 1 1 4 4 ILE HG22 H 1 0.883 0.020 . 1 . . . . . . . . . 5047 1 25 . 1 1 4 4 ILE HG23 H 1 0.883 0.020 . 1 . . . . . . . . . 5047 1 26 . 1 1 4 4 ILE HG12 H 1 1.178 0.020 . 1 . . . . . . . . . 5047 1 27 . 1 1 4 4 ILE HG13 H 1 1.746 0.020 . 1 . . . . . . . . . 5047 1 28 . 1 1 4 4 ILE HD11 H 1 0.858 0.020 . 1 . . . . . . . . . 5047 1 29 . 1 1 4 4 ILE HD12 H 1 0.858 0.020 . 1 . . . . . . . . . 5047 1 30 . 1 1 4 4 ILE HD13 H 1 0.858 0.020 . 1 . . . . . . . . . 5047 1 31 . 1 1 5 5 ALA N N 15 131.400 0.100 . 1 . . . . . . . . . 5047 1 32 . 1 1 5 5 ALA H H 1 8.744 0.020 . 1 . . . . . . . . . 5047 1 33 . 1 1 5 5 ALA HA H 1 4.574 0.020 . 1 . . . . . . . . . 5047 1 34 . 1 1 5 5 ALA HB1 H 1 1.430 0.020 . 1 . . . . . . . . . 5047 1 35 . 1 1 5 5 ALA HB2 H 1 1.430 0.020 . 1 . . . . . . . . . 5047 1 36 . 1 1 5 5 ALA HB3 H 1 1.430 0.020 . 1 . . . . . . . . . 5047 1 37 . 1 1 6 6 ILE N N 15 118.300 0.100 . 1 . . . . . . . . . 5047 1 38 . 1 1 6 6 ILE H H 1 7.737 0.020 . 1 . . . . . . . . . 5047 1 39 . 1 1 6 6 ILE HA H 1 4.910 0.020 . 1 . . . . . . . . . 5047 1 40 . 1 1 6 6 ILE HB H 1 2.316 0.020 . 1 . . . . . . . . . 5047 1 41 . 1 1 6 6 ILE HG21 H 1 0.909 0.020 . 1 . . . . . . . . . 5047 1 42 . 1 1 6 6 ILE HG22 H 1 0.909 0.020 . 1 . . . . . . . . . 5047 1 43 . 1 1 6 6 ILE HG23 H 1 0.909 0.020 . 1 . . . . . . . . . 5047 1 44 . 1 1 6 6 ILE HG13 H 1 0.854 0.020 . 1 . . . . . . . . . 5047 1 45 . 1 1 6 6 ILE HG12 H 1 1.423 0.020 . 1 . . . . . . . . . 5047 1 46 . 1 1 6 6 ILE HD11 H 1 0.828 0.020 . 1 . . . . . . . . . 5047 1 47 . 1 1 6 6 ILE HD12 H 1 0.828 0.020 . 1 . . . . . . . . . 5047 1 48 . 1 1 6 6 ILE HD13 H 1 0.828 0.020 . 1 . . . . . . . . . 5047 1 49 . 1 1 7 7 THR N N 15 108.100 0.100 . 1 . . . . . . . . . 5047 1 50 . 1 1 7 7 THR H H 1 8.279 0.020 . 1 . . . . . . . . . 5047 1 51 . 1 1 7 7 THR HA H 1 4.940 0.020 . 1 . . . . . . . . . 5047 1 52 . 1 1 7 7 THR HB H 1 4.760 0.020 . 1 . . . . . . . . . 5047 1 53 . 1 1 7 7 THR HG21 H 1 1.209 0.020 . 1 . . . . . . . . . 5047 1 54 . 1 1 7 7 THR HG22 H 1 1.209 0.020 . 1 . . . . . . . . . 5047 1 55 . 1 1 7 7 THR HG23 H 1 1.209 0.020 . 1 . . . . . . . . . 5047 1 56 . 1 1 7 7 THR HG1 H 1 5.101 0.020 . 1 . . . . . . . . . 5047 1 57 . 1 1 8 8 CYS N N 15 115.200 0.100 . 1 . . . . . . . . . 5047 1 58 . 1 1 8 8 CYS H H 1 8.605 0.020 . 1 . . . . . . . . . 5047 1 59 . 1 1 8 8 CYS HA H 1 4.087 0.020 . 1 . . . . . . . . . 5047 1 60 . 1 1 8 8 CYS HB2 H 1 2.033 0.020 . 1 . . . . . . . . . 5047 1 61 . 1 1 8 8 CYS HB3 H 1 2.635 0.020 . 1 . . . . . . . . . 5047 1 62 . 1 1 9 9 PHE N N 15 113.700 0.100 . 1 . . . . . . . . . 5047 1 63 . 1 1 9 9 PHE H H 1 8.008 0.020 . 1 . . . . . . . . . 5047 1 64 . 1 1 9 9 PHE HA H 1 4.706 0.020 . 1 . . . . . . . . . 5047 1 65 . 1 1 9 9 PHE HB3 H 1 2.891 0.020 . 1 . . . . . . . . . 5047 1 66 . 1 1 9 9 PHE HB2 H 1 3.283 0.020 . 1 . . . . . . . . . 5047 1 67 . 1 1 9 9 PHE HD1 H 1 7.268 0.020 . 1 . . . . . . . . . 5047 1 68 . 1 1 9 9 PHE HD2 H 1 7.268 0.020 . 1 . . . . . . . . . 5047 1 69 . 1 1 9 9 PHE HE1 H 1 7.353 0.020 . 1 . . . . . . . . . 5047 1 70 . 1 1 9 9 PHE HE2 H 1 7.353 0.020 . 1 . . . . . . . . . 5047 1 71 . 1 1 9 9 PHE HZ H 1 7.304 0.020 . 1 . . . . . . . . . 5047 1 72 . 1 1 10 10 THR N N 15 117.400 0.100 . 1 . . . . . . . . . 5047 1 73 . 1 1 10 10 THR H H 1 7.357 0.020 . 1 . . . . . . . . . 5047 1 74 . 1 1 10 10 THR HA H 1 3.948 0.020 . 1 . . . . . . . . . 5047 1 75 . 1 1 10 10 THR HB H 1 3.943 0.020 . 1 . . . . . . . . . 5047 1 76 . 1 1 10 10 THR HG21 H 1 1.401 0.020 . 1 . . . . . . . . . 5047 1 77 . 1 1 10 10 THR HG22 H 1 1.401 0.020 . 1 . . . . . . . . . 5047 1 78 . 1 1 10 10 THR HG23 H 1 1.401 0.020 . 1 . . . . . . . . . 5047 1 79 . 1 1 10 10 THR HG1 H 1 6.027 0.020 . 1 . . . . . . . . . 5047 1 80 . 1 1 11 11 ARG N N 15 130.500 0.100 . 1 . . . . . . . . . 5047 1 81 . 1 1 11 11 ARG H H 1 10.007 0.020 . 1 . . . . . . . . . 5047 1 82 . 1 1 11 11 ARG HA H 1 5.301 0.020 . 1 . . . . . . . . . 5047 1 83 . 1 1 11 11 ARG HB2 H 1 1.639 0.020 . 1 . . . . . . . . . 5047 1 84 . 1 1 11 11 ARG HB3 H 1 2.155 0.020 . 1 . . . . . . . . . 5047 1 85 . 1 1 11 11 ARG HG3 H 1 1.713 0.020 . 1 . . . . . . . . . 5047 1 86 . 1 1 11 11 ARG HG2 H 1 2.114 0.020 . 1 . . . . . . . . . 5047 1 87 . 1 1 11 11 ARG HD2 H 1 3.033 0.020 . 2 . . . . . . . . . 5047 1 88 . 1 1 11 11 ARG HD3 H 1 3.456 0.020 . 2 . . . . . . . . . 5047 1 89 . 1 1 11 11 ARG NE N 15 85.200 0.100 . 1 . . . . . . . . . 5047 1 90 . 1 1 11 11 ARG HE H 1 7.751 0.020 . 1 . . . . . . . . . 5047 1 91 . 1 1 12 12 GLY N N 15 110.700 0.100 . 1 . . . . . . . . . 5047 1 92 . 1 1 12 12 GLY H H 1 7.949 0.020 . 1 . . . . . . . . . 5047 1 93 . 1 1 12 12 GLY HA2 H 1 3.149 0.020 . 1 . . . . . . . . . 5047 1 94 . 1 1 12 12 GLY HA3 H 1 3.583 0.020 . 1 . . . . . . . . . 5047 1 95 . 1 1 13 13 LEU N N 15 114.800 0.100 . 1 . . . . . . . . . 5047 1 96 . 1 1 13 13 LEU H H 1 7.734 0.020 . 1 . . . . . . . . . 5047 1 97 . 1 1 13 13 LEU HA H 1 4.343 0.020 . 1 . . . . . . . . . 5047 1 98 . 1 1 13 13 LEU HB2 H 1 1.638 0.020 . 1 . . . . . . . . . 5047 1 99 . 1 1 13 13 LEU HB3 H 1 1.842 0.020 . 1 . . . . . . . . . 5047 1 100 . 1 1 13 13 LEU HG H 1 1.540 0.020 . 1 . . . . . . . . . 5047 1 101 . 1 1 13 13 LEU HD11 H 1 0.851 0.020 . 1 . . . . . . . . . 5047 1 102 . 1 1 13 13 LEU HD12 H 1 0.851 0.020 . 1 . . . . . . . . . 5047 1 103 . 1 1 13 13 LEU HD13 H 1 0.851 0.020 . 1 . . . . . . . . . 5047 1 104 . 1 1 13 13 LEU HD21 H 1 1.028 0.020 . 1 . . . . . . . . . 5047 1 105 . 1 1 13 13 LEU HD22 H 1 1.028 0.020 . 1 . . . . . . . . . 5047 1 106 . 1 1 13 13 LEU HD23 H 1 1.028 0.020 . 1 . . . . . . . . . 5047 1 107 . 1 1 14 14 ASP N N 15 118.000 0.100 . 1 . . . . . . . . . 5047 1 108 . 1 1 14 14 ASP H H 1 7.756 0.020 . 1 . . . . . . . . . 5047 1 109 . 1 1 14 14 ASP HA H 1 4.621 0.020 . 1 . . . . . . . . . 5047 1 110 . 1 1 14 14 ASP HB3 H 1 2.877 0.020 . 1 . . . . . . . . . 5047 1 111 . 1 1 14 14 ASP HB2 H 1 3.039 0.020 . 1 . . . . . . . . . 5047 1 112 . 1 1 15 15 ILE N N 15 119.500 0.100 . 1 . . . . . . . . . 5047 1 113 . 1 1 15 15 ILE H H 1 7.252 0.020 . 1 . . . . . . . . . 5047 1 114 . 1 1 15 15 ILE HA H 1 4.195 0.020 . 1 . . . . . . . . . 5047 1 115 . 1 1 15 15 ILE HB H 1 1.938 0.020 . 1 . . . . . . . . . 5047 1 116 . 1 1 15 15 ILE HG21 H 1 0.704 0.020 . 1 . . . . . . . . . 5047 1 117 . 1 1 15 15 ILE HG22 H 1 0.704 0.020 . 1 . . . . . . . . . 5047 1 118 . 1 1 15 15 ILE HG23 H 1 0.704 0.020 . 1 . . . . . . . . . 5047 1 119 . 1 1 15 15 ILE HG12 H 1 1.101 0.020 . 1 . . . . . . . . . 5047 1 120 . 1 1 15 15 ILE HG13 H 1 1.276 0.020 . 1 . . . . . . . . . 5047 1 121 . 1 1 15 15 ILE HD11 H 1 0.579 0.020 . 1 . . . . . . . . . 5047 1 122 . 1 1 15 15 ILE HD12 H 1 0.579 0.020 . 1 . . . . . . . . . 5047 1 123 . 1 1 15 15 ILE HD13 H 1 0.579 0.020 . 1 . . . . . . . . . 5047 1 124 . 1 1 16 16 ARG N N 15 121.800 0.100 . 1 . . . . . . . . . 5047 1 125 . 1 1 16 16 ARG H H 1 8.416 0.020 . 1 . . . . . . . . . 5047 1 126 . 1 1 16 16 ARG HA H 1 4.301 0.020 . 1 . . . . . . . . . 5047 1 127 . 1 1 16 16 ARG HB2 H 1 1.704 0.020 . 1 . . . . . . . . . 5047 1 128 . 1 1 16 16 ARG HB3 H 1 1.930 0.020 . 1 . . . . . . . . . 5047 1 129 . 1 1 16 16 ARG HG2 H 1 1.542 0.020 . 1 . . . . . . . . . 5047 1 130 . 1 1 16 16 ARG HG3 H 1 1.593 0.020 . 1 . . . . . . . . . 5047 1 131 . 1 1 16 16 ARG HD2 H 1 3.200 0.020 . 1 . . . . . . . . . 5047 1 132 . 1 1 16 16 ARG HD3 H 1 3.200 0.020 . 1 . . . . . . . . . 5047 1 133 . 1 1 16 16 ARG NE N 15 85.400 0.100 . 1 . . . . . . . . . 5047 1 134 . 1 1 16 16 ARG HE H 1 7.172 0.020 . 1 . . . . . . . . . 5047 1 135 . 1 1 17 17 LYS N N 15 118.300 0.100 . 1 . . . . . . . . . 5047 1 136 . 1 1 17 17 LYS H H 1 7.264 0.020 . 1 . . . . . . . . . 5047 1 137 . 1 1 17 17 LYS HA H 1 4.526 0.020 . 1 . . . . . . . . . 5047 1 138 . 1 1 17 17 LYS HB2 H 1 1.408 0.020 . 1 . . . . . . . . . 5047 1 139 . 1 1 17 17 LYS HB3 H 1 1.859 0.020 . 1 . . . . . . . . . 5047 1 140 . 1 1 17 17 LYS HG2 H 1 1.410 0.020 . 1 . . . . . . . . . 5047 1 141 . 1 1 17 17 LYS HG3 H 1 1.410 0.020 . 1 . . . . . . . . . 5047 1 142 . 1 1 17 17 LYS HD2 H 1 1.681 0.020 . 2 . . . . . . . . . 5047 1 143 . 1 1 17 17 LYS HD3 H 1 1.763 0.020 . 2 . . . . . . . . . 5047 1 144 . 1 1 17 17 LYS HE2 H 1 3.033 0.020 . 1 . . . . . . . . . 5047 1 145 . 1 1 17 17 LYS HE3 H 1 3.086 0.020 . 1 . . . . . . . . . 5047 1 146 . 1 1 18 18 GLU N N 15 122.400 0.100 . 1 . . . . . . . . . 5047 1 147 . 1 1 18 18 GLU H H 1 8.874 0.020 . 1 . . . . . . . . . 5047 1 148 . 1 1 18 18 GLU HA H 1 4.177 0.020 . 1 . . . . . . . . . 5047 1 149 . 1 1 18 18 GLU HB3 H 1 2.114 0.020 . 1 . . . . . . . . . 5047 1 150 . 1 1 18 18 GLU HB2 H 1 2.164 0.020 . 1 . . . . . . . . . 5047 1 151 . 1 1 18 18 GLU HG2 H 1 2.391 0.020 . 2 . . . . . . . . . 5047 1 152 . 1 1 18 18 GLU HG3 H 1 2.444 0.020 . 2 . . . . . . . . . 5047 1 153 . 1 1 19 19 LYS N N 15 117.400 0.100 . 1 . . . . . . . . . 5047 1 154 . 1 1 19 19 LYS H H 1 7.481 0.020 . 1 . . . . . . . . . 5047 1 155 . 1 1 19 19 LYS HA H 1 5.050 0.020 . 1 . . . . . . . . . 5047 1 156 . 1 1 19 19 LYS HB3 H 1 1.595 0.020 . 1 . . . . . . . . . 5047 1 157 . 1 1 19 19 LYS HB2 H 1 1.650 0.020 . 1 . . . . . . . . . 5047 1 158 . 1 1 19 19 LYS HG2 H 1 1.135 0.020 . 1 . . . . . . . . . 5047 1 159 . 1 1 19 19 LYS HG3 H 1 1.135 0.020 . 1 . . . . . . . . . 5047 1 160 . 1 1 19 19 LYS HD2 H 1 1.621 0.020 . 1 . . . . . . . . . 5047 1 161 . 1 1 19 19 LYS HD3 H 1 1.621 0.020 . 1 . . . . . . . . . 5047 1 162 . 1 1 19 19 LYS HE2 H 1 2.905 0.020 . 1 . . . . . . . . . 5047 1 163 . 1 1 19 19 LYS HE3 H 1 2.905 0.020 . 1 . . . . . . . . . 5047 1 164 . 1 1 20 20 ALA N N 15 124.400 0.100 . 1 . . . . . . . . . 5047 1 165 . 1 1 20 20 ALA H H 1 8.646 0.020 . 1 . . . . . . . . . 5047 1 166 . 1 1 20 20 ALA HA H 1 4.536 0.020 . 1 . . . . . . . . . 5047 1 167 . 1 1 20 20 ALA HB1 H 1 1.092 0.020 . 1 . . . . . . . . . 5047 1 168 . 1 1 20 20 ALA HB2 H 1 1.092 0.020 . 1 . . . . . . . . . 5047 1 169 . 1 1 20 20 ALA HB3 H 1 1.092 0.020 . 1 . . . . . . . . . 5047 1 170 . 1 1 21 21 ASP N N 15 122.000 0.100 . 1 . . . . . . . . . 5047 1 171 . 1 1 21 21 ASP H H 1 8.250 0.020 . 1 . . . . . . . . . 5047 1 172 . 1 1 21 21 ASP HA H 1 5.420 0.020 . 1 . . . . . . . . . 5047 1 173 . 1 1 21 21 ASP HB2 H 1 2.455 0.020 . 1 . . . . . . . . . 5047 1 174 . 1 1 21 21 ASP HB3 H 1 2.594 0.020 . 1 . . . . . . . . . 5047 1 175 . 1 1 22 22 VAL N N 15 116.500 0.100 . 1 . . . . . . . . . 5047 1 176 . 1 1 22 22 VAL H H 1 9.160 0.020 . 1 . . . . . . . . . 5047 1 177 . 1 1 22 22 VAL HA H 1 5.403 0.020 . 1 . . . . . . . . . 5047 1 178 . 1 1 22 22 VAL HB H 1 2.124 0.020 . 1 . . . . . . . . . 5047 1 179 . 1 1 22 22 VAL HG11 H 1 0.697 0.020 . 1 . . . . . . . . . 5047 1 180 . 1 1 22 22 VAL HG12 H 1 0.697 0.020 . 1 . . . . . . . . . 5047 1 181 . 1 1 22 22 VAL HG13 H 1 0.697 0.020 . 1 . . . . . . . . . 5047 1 182 . 1 1 22 22 VAL HG21 H 1 0.697 0.020 . 1 . . . . . . . . . 5047 1 183 . 1 1 22 22 VAL HG22 H 1 0.697 0.020 . 1 . . . . . . . . . 5047 1 184 . 1 1 22 22 VAL HG23 H 1 0.697 0.020 . 1 . . . . . . . . . 5047 1 185 . 1 1 23 23 LEU N N 15 122.500 0.100 . 1 . . . . . . . . . 5047 1 186 . 1 1 23 23 LEU H H 1 8.623 0.020 . 1 . . . . . . . . . 5047 1 187 . 1 1 23 23 LEU HA H 1 4.607 0.020 . 1 . . . . . . . . . 5047 1 188 . 1 1 23 23 LEU HB3 H 1 1.064 0.020 . 1 . . . . . . . . . 5047 1 189 . 1 1 23 23 LEU HB2 H 1 1.553 0.020 . 1 . . . . . . . . . 5047 1 190 . 1 1 23 23 LEU HG H 1 1.166 0.020 . 1 . . . . . . . . . 5047 1 191 . 1 1 23 23 LEU HD11 H 1 0.731 0.020 . 1 . . . . . . . . . 5047 1 192 . 1 1 23 23 LEU HD12 H 1 0.731 0.020 . 1 . . . . . . . . . 5047 1 193 . 1 1 23 23 LEU HD13 H 1 0.731 0.020 . 1 . . . . . . . . . 5047 1 194 . 1 1 23 23 LEU HD21 H 1 0.789 0.020 . 1 . . . . . . . . . 5047 1 195 . 1 1 23 23 LEU HD22 H 1 0.789 0.020 . 1 . . . . . . . . . 5047 1 196 . 1 1 23 23 LEU HD23 H 1 0.789 0.020 . 1 . . . . . . . . . 5047 1 197 . 1 1 24 24 CYS N N 15 126.100 0.100 . 1 . . . . . . . . . 5047 1 198 . 1 1 24 24 CYS H H 1 8.550 0.020 . 1 . . . . . . . . . 5047 1 199 . 1 1 24 24 CYS HA H 1 4.741 0.020 . 1 . . . . . . . . . 5047 1 200 . 1 1 24 24 CYS HB3 H 1 3.000 0.020 . 1 . . . . . . . . . 5047 1 201 . 1 1 24 24 CYS HB2 H 1 3.073 0.020 . 1 . . . . . . . . . 5047 1 202 . 1 1 25 25 PRO HA H 1 4.582 0.020 . 1 . . . . . . . . . 5047 1 203 . 1 1 25 25 PRO HB3 H 1 2.102 0.020 . 1 . . . . . . . . . 5047 1 204 . 1 1 25 25 PRO HB2 H 1 2.319 0.020 . 1 . . . . . . . . . 5047 1 205 . 1 1 25 25 PRO HG2 H 1 2.025 0.020 . 1 . . . . . . . . . 5047 1 206 . 1 1 25 25 PRO HG3 H 1 2.110 0.020 . 1 . . . . . . . . . 5047 1 207 . 1 1 25 25 PRO HD2 H 1 3.693 0.020 . 1 . . . . . . . . . 5047 1 208 . 1 1 25 25 PRO HD3 H 1 3.923 0.020 . 1 . . . . . . . . . 5047 1 209 . 1 1 26 26 GLY N N 15 104.800 0.100 . 1 . . . . . . . . . 5047 1 210 . 1 1 26 26 GLY H H 1 8.263 0.020 . 1 . . . . . . . . . 5047 1 211 . 1 1 26 26 GLY HA2 H 1 3.514 0.020 . 1 . . . . . . . . . 5047 1 212 . 1 1 26 26 GLY HA3 H 1 4.164 0.020 . 1 . . . . . . . . . 5047 1 213 . 1 1 27 27 GLY N N 15 106.200 0.100 . 1 . . . . . . . . . 5047 1 214 . 1 1 27 27 GLY H H 1 8.134 0.020 . 1 . . . . . . . . . 5047 1 215 . 1 1 27 27 GLY HA3 H 1 3.672 0.020 . 1 . . . . . . . . . 5047 1 216 . 1 1 27 27 GLY HA2 H 1 3.906 0.020 . 1 . . . . . . . . . 5047 1 217 . 1 1 28 28 CYS N N 15 121.800 0.100 . 1 . . . . . . . . . 5047 1 218 . 1 1 28 28 CYS H H 1 8.706 0.020 . 1 . . . . . . . . . 5047 1 219 . 1 1 28 28 CYS HA H 1 4.441 0.020 . 1 . . . . . . . . . 5047 1 220 . 1 1 28 28 CYS HB2 H 1 2.378 0.020 . 1 . . . . . . . . . 5047 1 221 . 1 1 28 28 CYS HB3 H 1 2.747 0.020 . 1 . . . . . . . . . 5047 1 222 . 1 1 29 29 PRO HA H 1 4.365 0.020 . 1 . . . . . . . . . 5047 1 223 . 1 1 29 29 PRO HB2 H 1 1.696 0.020 . 1 . . . . . . . . . 5047 1 224 . 1 1 29 29 PRO HB3 H 1 2.198 0.020 . 1 . . . . . . . . . 5047 1 225 . 1 1 29 29 PRO HG2 H 1 1.946 0.020 . 1 . . . . . . . . . 5047 1 226 . 1 1 29 29 PRO HG3 H 1 1.946 0.020 . 1 . . . . . . . . . 5047 1 227 . 1 1 29 29 PRO HD2 H 1 3.360 0.020 . 1 . . . . . . . . . 5047 1 228 . 1 1 29 29 PRO HD3 H 1 3.894 0.020 . 1 . . . . . . . . . 5047 1 229 . 1 1 30 30 LEU N N 15 129.000 0.100 . 1 . . . . . . . . . 5047 1 230 . 1 1 30 30 LEU H H 1 8.515 0.020 . 1 . . . . . . . . . 5047 1 231 . 1 1 30 30 LEU HA H 1 3.915 0.020 . 1 . . . . . . . . . 5047 1 232 . 1 1 30 30 LEU HB3 H 1 1.589 0.020 . 1 . . . . . . . . . 5047 1 233 . 1 1 30 30 LEU HB2 H 1 1.772 0.020 . 1 . . . . . . . . . 5047 1 234 . 1 1 30 30 LEU HG H 1 1.902 0.020 . 1 . . . . . . . . . 5047 1 235 . 1 1 30 30 LEU HD11 H 1 1.082 0.020 . 1 . . . . . . . . . 5047 1 236 . 1 1 30 30 LEU HD12 H 1 1.082 0.020 . 1 . . . . . . . . . 5047 1 237 . 1 1 30 30 LEU HD13 H 1 1.082 0.020 . 1 . . . . . . . . . 5047 1 238 . 1 1 30 30 LEU HD21 H 1 1.082 0.020 . 1 . . . . . . . . . 5047 1 239 . 1 1 30 30 LEU HD22 H 1 1.082 0.020 . 1 . . . . . . . . . 5047 1 240 . 1 1 30 30 LEU HD23 H 1 1.082 0.020 . 1 . . . . . . . . . 5047 1 241 . 1 1 31 31 GLU N N 15 115.000 0.100 . 1 . . . . . . . . . 5047 1 242 . 1 1 31 31 GLU H H 1 9.165 0.020 . 1 . . . . . . . . . 5047 1 243 . 1 1 31 31 GLU HA H 1 4.246 0.020 . 1 . . . . . . . . . 5047 1 244 . 1 1 31 31 GLU HB3 H 1 2.066 0.020 . 1 . . . . . . . . . 5047 1 245 . 1 1 31 31 GLU HB2 H 1 2.123 0.020 . 1 . . . . . . . . . 5047 1 246 . 1 1 31 31 GLU HG2 H 1 2.317 0.020 . 2 . . . . . . . . . 5047 1 247 . 1 1 31 31 GLU HG3 H 1 2.435 0.020 . 2 . . . . . . . . . 5047 1 248 . 1 1 32 32 GLU N N 15 115.900 0.100 . 1 . . . . . . . . . 5047 1 249 . 1 1 32 32 GLU H H 1 7.314 0.020 . 1 . . . . . . . . . 5047 1 250 . 1 1 32 32 GLU HA H 1 4.371 0.020 . 1 . . . . . . . . . 5047 1 251 . 1 1 32 32 GLU HB2 H 1 1.745 0.020 . 2 . . . . . . . . . 5047 1 252 . 1 1 32 32 GLU HB3 H 1 2.193 0.020 . 2 . . . . . . . . . 5047 1 253 . 1 1 32 32 GLU HG2 H 1 2.320 0.020 . 1 . . . . . . . . . 5047 1 254 . 1 1 32 32 GLU HG3 H 1 2.320 0.020 . 1 . . . . . . . . . 5047 1 255 . 1 1 33 33 PHE N N 15 117.500 0.100 . 1 . . . . . . . . . 5047 1 256 . 1 1 33 33 PHE H H 1 7.198 0.020 . 1 . . . . . . . . . 5047 1 257 . 1 1 33 33 PHE HA H 1 4.866 0.020 . 1 . . . . . . . . . 5047 1 258 . 1 1 33 33 PHE HB3 H 1 2.648 0.020 . 1 . . . . . . . . . 5047 1 259 . 1 1 33 33 PHE HB2 H 1 3.170 0.020 . 1 . . . . . . . . . 5047 1 260 . 1 1 33 33 PHE HD1 H 1 7.350 0.020 . 1 . . . . . . . . . 5047 1 261 . 1 1 33 33 PHE HD2 H 1 7.350 0.020 . 1 . . . . . . . . . 5047 1 262 . 1 1 33 33 PHE HE1 H 1 7.350 0.020 . 1 . . . . . . . . . 5047 1 263 . 1 1 33 33 PHE HE2 H 1 7.350 0.020 . 1 . . . . . . . . . 5047 1 264 . 1 1 33 33 PHE HZ H 1 7.037 0.020 . 1 . . . . . . . . . 5047 1 265 . 1 1 34 34 SER N N 15 120.800 0.100 . 1 . . . . . . . . . 5047 1 266 . 1 1 34 34 SER H H 1 8.936 0.020 . 1 . . . . . . . . . 5047 1 267 . 1 1 34 34 SER HA H 1 4.425 0.020 . 1 . . . . . . . . . 5047 1 268 . 1 1 34 34 SER HB2 H 1 3.829 0.020 . 1 . . . . . . . . . 5047 1 269 . 1 1 34 34 SER HB3 H 1 3.958 0.020 . 1 . . . . . . . . . 5047 1 270 . 1 1 35 35 VAL N N 15 126.400 0.100 . 1 . . . . . . . . . 5047 1 271 . 1 1 35 35 VAL H H 1 8.314 0.020 . 1 . . . . . . . . . 5047 1 272 . 1 1 35 35 VAL HA H 1 3.816 0.020 . 1 . . . . . . . . . 5047 1 273 . 1 1 35 35 VAL HB H 1 1.294 0.020 . 1 . . . . . . . . . 5047 1 274 . 1 1 35 35 VAL HG11 H 1 0.463 0.020 . 1 . . . . . . . . . 5047 1 275 . 1 1 35 35 VAL HG12 H 1 0.463 0.020 . 1 . . . . . . . . . 5047 1 276 . 1 1 35 35 VAL HG13 H 1 0.463 0.020 . 1 . . . . . . . . . 5047 1 277 . 1 1 35 35 VAL HG21 H 1 0.511 0.020 . 1 . . . . . . . . . 5047 1 278 . 1 1 35 35 VAL HG22 H 1 0.511 0.020 . 1 . . . . . . . . . 5047 1 279 . 1 1 35 35 VAL HG23 H 1 0.511 0.020 . 1 . . . . . . . . . 5047 1 280 . 1 1 36 36 TYR N N 15 126.600 0.100 . 1 . . . . . . . . . 5047 1 281 . 1 1 36 36 TYR H H 1 8.464 0.020 . 1 . . . . . . . . . 5047 1 282 . 1 1 36 36 TYR HA H 1 5.410 0.020 . 1 . . . . . . . . . 5047 1 283 . 1 1 36 36 TYR HB2 H 1 2.229 0.020 . 1 . . . . . . . . . 5047 1 284 . 1 1 36 36 TYR HB3 H 1 2.340 0.020 . 1 . . . . . . . . . 5047 1 285 . 1 1 36 36 TYR HD1 H 1 6.670 0.020 . 1 . . . . . . . . . 5047 1 286 . 1 1 36 36 TYR HD2 H 1 6.670 0.020 . 1 . . . . . . . . . 5047 1 287 . 1 1 36 36 TYR HE1 H 1 6.465 0.020 . 1 . . . . . . . . . 5047 1 288 . 1 1 36 36 TYR HE2 H 1 6.465 0.020 . 1 . . . . . . . . . 5047 1 289 . 1 1 37 37 GLY N N 15 110.400 0.100 . 1 . . . . . . . . . 5047 1 290 . 1 1 37 37 GLY H H 1 7.530 0.020 . 1 . . . . . . . . . 5047 1 291 . 1 1 37 37 GLY HA2 H 1 4.522 0.020 . 1 . . . . . . . . . 5047 1 292 . 1 1 37 37 GLY HA3 H 1 4.834 0.020 . 1 . . . . . . . . . 5047 1 293 . 1 1 38 38 ASN N N 15 113.300 0.100 . 1 . . . . . . . . . 5047 1 294 . 1 1 38 38 ASN H H 1 7.234 0.020 . 1 . . . . . . . . . 5047 1 295 . 1 1 38 38 ASN HA H 1 4.532 0.020 . 1 . . . . . . . . . 5047 1 296 . 1 1 38 38 ASN HB2 H 1 2.404 0.020 . 2 . . . . . . . . . 5047 1 297 . 1 1 38 38 ASN HB3 H 1 2.504 0.020 . 2 . . . . . . . . . 5047 1 298 . 1 1 38 38 ASN ND2 N 15 114.200 0.100 . 1 . . . . . . . . . 5047 1 299 . 1 1 38 38 ASN HD22 H 1 7.023 0.020 . 1 . . . . . . . . . 5047 1 300 . 1 1 38 38 ASN HD21 H 1 7.719 0.020 . 1 . . . . . . . . . 5047 1 301 . 1 1 39 39 ILE N N 15 121.500 0.100 . 1 . . . . . . . . . 5047 1 302 . 1 1 39 39 ILE H H 1 7.501 0.020 . 1 . . . . . . . . . 5047 1 303 . 1 1 39 39 ILE HA H 1 2.953 0.020 . 1 . . . . . . . . . 5047 1 304 . 1 1 39 39 ILE HB H 1 2.500 0.020 . 1 . . . . . . . . . 5047 1 305 . 1 1 39 39 ILE HG21 H 1 0.867 0.020 . 1 . . . . . . . . . 5047 1 306 . 1 1 39 39 ILE HG22 H 1 0.867 0.020 . 1 . . . . . . . . . 5047 1 307 . 1 1 39 39 ILE HG23 H 1 0.867 0.020 . 1 . . . . . . . . . 5047 1 308 . 1 1 39 39 ILE HG13 H 1 0.836 0.020 . 1 . . . . . . . . . 5047 1 309 . 1 1 39 39 ILE HG12 H 1 1.445 0.020 . 1 . . . . . . . . . 5047 1 310 . 1 1 39 39 ILE HD11 H 1 0.819 0.020 . 1 . . . . . . . . . 5047 1 311 . 1 1 39 39 ILE HD12 H 1 0.819 0.020 . 1 . . . . . . . . . 5047 1 312 . 1 1 39 39 ILE HD13 H 1 0.819 0.020 . 1 . . . . . . . . . 5047 1 313 . 1 1 40 40 VAL N N 15 122.900 0.100 . 1 . . . . . . . . . 5047 1 314 . 1 1 40 40 VAL H H 1 8.376 0.020 . 1 . . . . . . . . . 5047 1 315 . 1 1 40 40 VAL HA H 1 4.010 0.020 . 1 . . . . . . . . . 5047 1 316 . 1 1 40 40 VAL HB H 1 1.721 0.020 . 1 . . . . . . . . . 5047 1 317 . 1 1 40 40 VAL HG11 H 1 0.820 0.020 . 1 . . . . . . . . . 5047 1 318 . 1 1 40 40 VAL HG12 H 1 0.820 0.020 . 1 . . . . . . . . . 5047 1 319 . 1 1 40 40 VAL HG13 H 1 0.820 0.020 . 1 . . . . . . . . . 5047 1 320 . 1 1 40 40 VAL HG21 H 1 0.860 0.020 . 1 . . . . . . . . . 5047 1 321 . 1 1 40 40 VAL HG22 H 1 0.860 0.020 . 1 . . . . . . . . . 5047 1 322 . 1 1 40 40 VAL HG23 H 1 0.860 0.020 . 1 . . . . . . . . . 5047 1 323 . 1 1 41 41 TYR N N 15 124.800 0.100 . 1 . . . . . . . . . 5047 1 324 . 1 1 41 41 TYR H H 1 8.603 0.020 . 1 . . . . . . . . . 5047 1 325 . 1 1 41 41 TYR HA H 1 4.898 0.020 . 1 . . . . . . . . . 5047 1 326 . 1 1 41 41 TYR HB2 H 1 1.010 0.020 . 1 . . . . . . . . . 5047 1 327 . 1 1 41 41 TYR HB3 H 1 2.367 0.020 . 1 . . . . . . . . . 5047 1 328 . 1 1 41 41 TYR HD1 H 1 6.577 0.020 . 1 . . . . . . . . . 5047 1 329 . 1 1 41 41 TYR HD2 H 1 6.469 0.020 . 1 . . . . . . . . . 5047 1 330 . 1 1 41 41 TYR HE1 H 1 6.527 0.020 . 1 . . . . . . . . . 5047 1 331 . 1 1 41 41 TYR HE2 H 1 6.489 0.020 . 1 . . . . . . . . . 5047 1 332 . 1 1 41 41 TYR HH H 1 12.770 0.020 . 1 . . . . . . . . . 5047 1 333 . 1 1 42 42 ALA N N 15 123.800 0.100 . 1 . . . . . . . . . 5047 1 334 . 1 1 42 42 ALA H H 1 7.615 0.020 . 1 . . . . . . . . . 5047 1 335 . 1 1 42 42 ALA HA H 1 4.106 0.020 . 1 . . . . . . . . . 5047 1 336 . 1 1 42 42 ALA HB1 H 1 0.177 0.020 . 1 . . . . . . . . . 5047 1 337 . 1 1 42 42 ALA HB2 H 1 0.177 0.020 . 1 . . . . . . . . . 5047 1 338 . 1 1 42 42 ALA HB3 H 1 0.177 0.020 . 1 . . . . . . . . . 5047 1 339 . 1 1 43 43 SER N N 15 118.900 0.100 . 1 . . . . . . . . . 5047 1 340 . 1 1 43 43 SER H H 1 8.990 0.020 . 1 . . . . . . . . . 5047 1 341 . 1 1 43 43 SER HA H 1 4.545 0.020 . 1 . . . . . . . . . 5047 1 342 . 1 1 43 43 SER HB2 H 1 3.917 0.020 . 1 . . . . . . . . . 5047 1 343 . 1 1 43 43 SER HB3 H 1 4.052 0.020 . 1 . . . . . . . . . 5047 1 344 . 1 1 43 43 SER HG H 1 5.949 0.020 . 1 . . . . . . . . . 5047 1 345 . 1 1 44 44 VAL N N 15 115.100 0.100 . 1 . . . . . . . . . 5047 1 346 . 1 1 44 44 VAL H H 1 5.776 0.020 . 1 . . . . . . . . . 5047 1 347 . 1 1 44 44 VAL HA H 1 4.041 0.020 . 1 . . . . . . . . . 5047 1 348 . 1 1 44 44 VAL HB H 1 1.530 0.020 . 1 . . . . . . . . . 5047 1 349 . 1 1 44 44 VAL HG11 H 1 -0.291 0.020 . 1 . . . . . . . . . 5047 1 350 . 1 1 44 44 VAL HG12 H 1 -0.291 0.020 . 1 . . . . . . . . . 5047 1 351 . 1 1 44 44 VAL HG13 H 1 -0.291 0.020 . 1 . . . . . . . . . 5047 1 352 . 1 1 44 44 VAL HG21 H 1 0.396 0.020 . 1 . . . . . . . . . 5047 1 353 . 1 1 44 44 VAL HG22 H 1 0.396 0.020 . 1 . . . . . . . . . 5047 1 354 . 1 1 44 44 VAL HG23 H 1 0.396 0.020 . 1 . . . . . . . . . 5047 1 355 . 1 1 45 45 SER N N 15 121.000 0.100 . 1 . . . . . . . . . 5047 1 356 . 1 1 45 45 SER H H 1 8.333 0.020 . 1 . . . . . . . . . 5047 1 357 . 1 1 45 45 SER HA H 1 4.619 0.020 . 1 . . . . . . . . . 5047 1 358 . 1 1 45 45 SER HB3 H 1 4.052 0.020 . 1 . . . . . . . . . 5047 1 359 . 1 1 45 45 SER HB2 H 1 4.267 0.020 . 1 . . . . . . . . . 5047 1 360 . 1 1 45 45 SER HG H 1 5.081 0.020 . 1 . . . . . . . . . 5047 1 361 . 1 1 46 46 SER N N 15 115.900 0.100 . 1 . . . . . . . . . 5047 1 362 . 1 1 46 46 SER H H 1 8.268 0.020 . 1 . . . . . . . . . 5047 1 363 . 1 1 46 46 SER HA H 1 4.512 0.020 . 1 . . . . . . . . . 5047 1 364 . 1 1 46 46 SER HB3 H 1 3.503 0.020 . 1 . . . . . . . . . 5047 1 365 . 1 1 46 46 SER HB2 H 1 4.670 0.020 . 1 . . . . . . . . . 5047 1 366 . 1 1 46 46 SER HG H 1 5.029 0.020 . 1 . . . . . . . . . 5047 1 367 . 1 1 47 47 ILE N N 15 131.000 0.100 . 1 . . . . . . . . . 5047 1 368 . 1 1 47 47 ILE H H 1 8.665 0.020 . 1 . . . . . . . . . 5047 1 369 . 1 1 47 47 ILE HA H 1 3.456 0.020 . 1 . . . . . . . . . 5047 1 370 . 1 1 47 47 ILE HB H 1 1.420 0.020 . 1 . . . . . . . . . 5047 1 371 . 1 1 47 47 ILE HG21 H 1 0.407 0.020 . 1 . . . . . . . . . 5047 1 372 . 1 1 47 47 ILE HG22 H 1 0.407 0.020 . 1 . . . . . . . . . 5047 1 373 . 1 1 47 47 ILE HG23 H 1 0.407 0.020 . 1 . . . . . . . . . 5047 1 374 . 1 1 47 47 ILE HG12 H 1 -0.065 0.020 . 1 . . . . . . . . . 5047 1 375 . 1 1 47 47 ILE HG13 H 1 1.135 0.020 . 1 . . . . . . . . . 5047 1 376 . 1 1 47 47 ILE HD11 H 1 0.425 0.020 . 1 . . . . . . . . . 5047 1 377 . 1 1 47 47 ILE HD12 H 1 0.425 0.020 . 1 . . . . . . . . . 5047 1 378 . 1 1 47 47 ILE HD13 H 1 0.425 0.020 . 1 . . . . . . . . . 5047 1 379 . 1 1 48 48 CYS N N 15 118.700 0.100 . 1 . . . . . . . . . 5047 1 380 . 1 1 48 48 CYS H H 1 9.601 0.020 . 1 . . . . . . . . . 5047 1 381 . 1 1 48 48 CYS HA H 1 4.183 0.020 . 1 . . . . . . . . . 5047 1 382 . 1 1 48 48 CYS HB2 H 1 2.600 0.020 . 1 . . . . . . . . . 5047 1 383 . 1 1 48 48 CYS HB3 H 1 3.245 0.020 . 1 . . . . . . . . . 5047 1 384 . 1 1 49 49 GLY N N 15 109.700 0.100 . 1 . . . . . . . . . 5047 1 385 . 1 1 49 49 GLY H H 1 8.210 0.020 . 1 . . . . . . . . . 5047 1 386 . 1 1 49 49 GLY HA2 H 1 1.755 0.020 . 1 . . . . . . . . . 5047 1 387 . 1 1 49 49 GLY HA3 H 1 2.046 0.020 . 1 . . . . . . . . . 5047 1 388 . 1 1 50 50 ALA N N 15 125.700 0.100 . 1 . . . . . . . . . 5047 1 389 . 1 1 50 50 ALA H H 1 7.809 0.020 . 1 . . . . . . . . . 5047 1 390 . 1 1 50 50 ALA HA H 1 3.210 0.020 . 1 . . . . . . . . . 5047 1 391 . 1 1 50 50 ALA HB1 H 1 0.663 0.020 . 1 . . . . . . . . . 5047 1 392 . 1 1 50 50 ALA HB2 H 1 0.663 0.020 . 1 . . . . . . . . . 5047 1 393 . 1 1 50 50 ALA HB3 H 1 0.663 0.020 . 1 . . . . . . . . . 5047 1 394 . 1 1 51 51 ALA N N 15 119.300 0.100 . 1 . . . . . . . . . 5047 1 395 . 1 1 51 51 ALA H H 1 8.278 0.020 . 1 . . . . . . . . . 5047 1 396 . 1 1 51 51 ALA HA H 1 3.929 0.020 . 1 . . . . . . . . . 5047 1 397 . 1 1 51 51 ALA HB1 H 1 1.400 0.020 . 1 . . . . . . . . . 5047 1 398 . 1 1 51 51 ALA HB2 H 1 1.400 0.020 . 1 . . . . . . . . . 5047 1 399 . 1 1 51 51 ALA HB3 H 1 1.400 0.020 . 1 . . . . . . . . . 5047 1 400 . 1 1 52 52 VAL N N 15 121.300 0.100 . 1 . . . . . . . . . 5047 1 401 . 1 1 52 52 VAL H H 1 7.964 0.020 . 1 . . . . . . . . . 5047 1 402 . 1 1 52 52 VAL HA H 1 4.018 0.020 . 1 . . . . . . . . . 5047 1 403 . 1 1 52 52 VAL HB H 1 1.796 0.020 . 1 . . . . . . . . . 5047 1 404 . 1 1 52 52 VAL HG21 H 1 0.811 0.020 . 1 . . . . . . . . . 5047 1 405 . 1 1 52 52 VAL HG22 H 1 0.811 0.020 . 1 . . . . . . . . . 5047 1 406 . 1 1 52 52 VAL HG23 H 1 0.811 0.020 . 1 . . . . . . . . . 5047 1 407 . 1 1 52 52 VAL HG11 H 1 0.990 0.020 . 1 . . . . . . . . . 5047 1 408 . 1 1 52 52 VAL HG12 H 1 0.990 0.020 . 1 . . . . . . . . . 5047 1 409 . 1 1 52 52 VAL HG13 H 1 0.990 0.020 . 1 . . . . . . . . . 5047 1 410 . 1 1 53 53 HIS N N 15 123.800 0.100 . 1 . . . . . . . . . 5047 1 411 . 1 1 53 53 HIS H H 1 8.586 0.020 . 1 . . . . . . . . . 5047 1 412 . 1 1 53 53 HIS HA H 1 3.943 0.020 . 1 . . . . . . . . . 5047 1 413 . 1 1 53 53 HIS HB2 H 1 2.973 0.020 . 1 . . . . . . . . . 5047 1 414 . 1 1 53 53 HIS HB3 H 1 3.339 0.020 . 1 . . . . . . . . . 5047 1 415 . 1 1 53 53 HIS HD2 H 1 7.688 0.020 . 1 . . . . . . . . . 5047 1 416 . 1 1 53 53 HIS HE1 H 1 8.152 0.020 . 1 . . . . . . . . . 5047 1 417 . 1 1 53 53 HIS NE2 N 15 165.100 0.100 . 1 . . . . . . . . . 5047 1 418 . 1 1 53 53 HIS HE2 H 1 11.346 0.020 . 1 . . . . . . . . . 5047 1 419 . 1 1 54 54 ARG N N 15 117.300 0.100 . 1 . . . . . . . . . 5047 1 420 . 1 1 54 54 ARG H H 1 9.043 0.020 . 1 . . . . . . . . . 5047 1 421 . 1 1 54 54 ARG HA H 1 4.211 0.020 . 1 . . . . . . . . . 5047 1 422 . 1 1 54 54 ARG HB3 H 1 1.890 0.020 . 1 . . . . . . . . . 5047 1 423 . 1 1 54 54 ARG HB2 H 1 2.582 0.020 . 1 . . . . . . . . . 5047 1 424 . 1 1 54 54 ARG HG3 H 1 1.956 0.020 . 1 . . . . . . . . . 5047 1 425 . 1 1 54 54 ARG HG2 H 1 2.102 0.020 . 1 . . . . . . . . . 5047 1 426 . 1 1 54 54 ARG HD3 H 1 3.378 0.020 . 1 . . . . . . . . . 5047 1 427 . 1 1 54 54 ARG HD2 H 1 3.621 0.020 . 1 . . . . . . . . . 5047 1 428 . 1 1 54 54 ARG NE N 15 85.400 0.100 . 1 . . . . . . . . . 5047 1 429 . 1 1 54 54 ARG HE H 1 7.537 0.020 . 1 . . . . . . . . . 5047 1 430 . 1 1 55 55 GLY N N 15 106.300 0.100 . 1 . . . . . . . . . 5047 1 431 . 1 1 55 55 GLY H H 1 7.805 0.020 . 1 . . . . . . . . . 5047 1 432 . 1 1 55 55 GLY HA2 H 1 3.919 0.020 . 1 . . . . . . . . . 5047 1 433 . 1 1 55 55 GLY HA3 H 1 4.214 0.020 . 1 . . . . . . . . . 5047 1 434 . 1 1 56 56 VAL N N 15 118.500 0.100 . 1 . . . . . . . . . 5047 1 435 . 1 1 56 56 VAL H H 1 7.983 0.020 . 1 . . . . . . . . . 5047 1 436 . 1 1 56 56 VAL HA H 1 3.865 0.020 . 1 . . . . . . . . . 5047 1 437 . 1 1 56 56 VAL HB H 1 2.021 0.020 . 1 . . . . . . . . . 5047 1 438 . 1 1 56 56 VAL HG21 H 1 0.947 0.020 . 1 . . . . . . . . . 5047 1 439 . 1 1 56 56 VAL HG22 H 1 0.947 0.020 . 1 . . . . . . . . . 5047 1 440 . 1 1 56 56 VAL HG23 H 1 0.947 0.020 . 1 . . . . . . . . . 5047 1 441 . 1 1 56 56 VAL HG11 H 1 0.992 0.020 . 1 . . . . . . . . . 5047 1 442 . 1 1 56 56 VAL HG12 H 1 0.992 0.020 . 1 . . . . . . . . . 5047 1 443 . 1 1 56 56 VAL HG13 H 1 0.992 0.020 . 1 . . . . . . . . . 5047 1 444 . 1 1 57 57 ILE N N 15 108.900 0.100 . 1 . . . . . . . . . 5047 1 445 . 1 1 57 57 ILE H H 1 6.859 0.020 . 1 . . . . . . . . . 5047 1 446 . 1 1 57 57 ILE HA H 1 4.520 0.020 . 1 . . . . . . . . . 5047 1 447 . 1 1 57 57 ILE HB H 1 1.817 0.020 . 1 . . . . . . . . . 5047 1 448 . 1 1 57 57 ILE HG21 H 1 0.608 0.020 . 1 . . . . . . . . . 5047 1 449 . 1 1 57 57 ILE HG22 H 1 0.608 0.020 . 1 . . . . . . . . . 5047 1 450 . 1 1 57 57 ILE HG23 H 1 0.608 0.020 . 1 . . . . . . . . . 5047 1 451 . 1 1 57 57 ILE HG12 H 1 0.411 0.020 . 1 . . . . . . . . . 5047 1 452 . 1 1 57 57 ILE HG13 H 1 1.128 0.020 . 1 . . . . . . . . . 5047 1 453 . 1 1 57 57 ILE HD11 H 1 0.692 0.020 . 1 . . . . . . . . . 5047 1 454 . 1 1 57 57 ILE HD12 H 1 0.692 0.020 . 1 . . . . . . . . . 5047 1 455 . 1 1 57 57 ILE HD13 H 1 0.692 0.020 . 1 . . . . . . . . . 5047 1 456 . 1 1 58 58 SER N N 15 116.700 0.100 . 1 . . . . . . . . . 5047 1 457 . 1 1 58 58 SER H H 1 8.730 0.020 . 1 . . . . . . . . . 5047 1 458 . 1 1 58 58 SER HA H 1 4.741 0.020 . 1 . . . . . . . . . 5047 1 459 . 1 1 58 58 SER HB2 H 1 3.942 0.020 . 1 . . . . . . . . . 5047 1 460 . 1 1 58 58 SER HB3 H 1 4.257 0.020 . 1 . . . . . . . . . 5047 1 461 . 1 1 59 59 ASN N N 15 117.500 0.100 . 1 . . . . . . . . . 5047 1 462 . 1 1 59 59 ASN H H 1 9.026 0.020 . 1 . . . . . . . . . 5047 1 463 . 1 1 59 59 ASN HA H 1 4.655 0.020 . 1 . . . . . . . . . 5047 1 464 . 1 1 59 59 ASN HB2 H 1 2.888 0.020 . 1 . . . . . . . . . 5047 1 465 . 1 1 59 59 ASN HB3 H 1 2.924 0.020 . 1 . . . . . . . . . 5047 1 466 . 1 1 59 59 ASN ND2 N 15 111.200 0.100 . 1 . . . . . . . . . 5047 1 467 . 1 1 59 59 ASN HD22 H 1 7.247 0.020 . 1 . . . . . . . . . 5047 1 468 . 1 1 59 59 ASN HD21 H 1 7.477 0.020 . 1 . . . . . . . . . 5047 1 469 . 1 1 60 60 SER N N 15 114.700 0.100 . 1 . . . . . . . . . 5047 1 470 . 1 1 60 60 SER H H 1 8.263 0.020 . 1 . . . . . . . . . 5047 1 471 . 1 1 60 60 SER HA H 1 4.512 0.020 . 1 . . . . . . . . . 5047 1 472 . 1 1 60 60 SER HB2 H 1 3.898 0.020 . 2 . . . . . . . . . 5047 1 473 . 1 1 60 60 SER HB3 H 1 3.932 0.020 . 2 . . . . . . . . . 5047 1 474 . 1 1 61 61 GLY N N 15 109.000 0.100 . 1 . . . . . . . . . 5047 1 475 . 1 1 61 61 GLY H H 1 7.979 0.020 . 1 . . . . . . . . . 5047 1 476 . 1 1 61 61 GLY HA2 H 1 3.350 0.020 . 1 . . . . . . . . . 5047 1 477 . 1 1 61 61 GLY HA3 H 1 3.929 0.020 . 1 . . . . . . . . . 5047 1 478 . 1 1 62 62 GLY N N 15 107.400 0.100 . 1 . . . . . . . . . 5047 1 479 . 1 1 62 62 GLY H H 1 8.263 0.020 . 1 . . . . . . . . . 5047 1 480 . 1 1 62 62 GLY HA2 H 1 3.811 0.020 . 1 . . . . . . . . . 5047 1 481 . 1 1 62 62 GLY HA3 H 1 4.769 0.020 . 1 . . . . . . . . . 5047 1 482 . 1 1 63 63 PRO HA H 1 5.288 0.020 . 1 . . . . . . . . . 5047 1 483 . 1 1 63 63 PRO HB2 H 1 1.915 0.020 . 1 . . . . . . . . . 5047 1 484 . 1 1 63 63 PRO HB3 H 1 2.023 0.020 . 1 . . . . . . . . . 5047 1 485 . 1 1 63 63 PRO HG3 H 1 1.984 0.020 . 1 . . . . . . . . . 5047 1 486 . 1 1 63 63 PRO HG2 H 1 2.170 0.020 . 1 . . . . . . . . . 5047 1 487 . 1 1 63 63 PRO HD3 H 1 3.496 0.020 . 1 . . . . . . . . . 5047 1 488 . 1 1 63 63 PRO HD2 H 1 3.705 0.020 . 1 . . . . . . . . . 5047 1 489 . 1 1 64 64 VAL N N 15 118.900 0.100 . 1 . . . . . . . . . 5047 1 490 . 1 1 64 64 VAL H H 1 8.774 0.020 . 1 . . . . . . . . . 5047 1 491 . 1 1 64 64 VAL HA H 1 4.294 0.020 . 1 . . . . . . . . . 5047 1 492 . 1 1 64 64 VAL HB H 1 1.818 0.020 . 1 . . . . . . . . . 5047 1 493 . 1 1 64 64 VAL HG21 H 1 0.682 0.020 . 1 . . . . . . . . . 5047 1 494 . 1 1 64 64 VAL HG22 H 1 0.682 0.020 . 1 . . . . . . . . . 5047 1 495 . 1 1 64 64 VAL HG23 H 1 0.682 0.020 . 1 . . . . . . . . . 5047 1 496 . 1 1 64 64 VAL HG11 H 1 0.771 0.020 . 1 . . . . . . . . . 5047 1 497 . 1 1 64 64 VAL HG12 H 1 0.771 0.020 . 1 . . . . . . . . . 5047 1 498 . 1 1 64 64 VAL HG13 H 1 0.771 0.020 . 1 . . . . . . . . . 5047 1 499 . 1 1 65 65 ARG N N 15 126.700 0.100 . 1 . . . . . . . . . 5047 1 500 . 1 1 65 65 ARG H H 1 8.668 0.020 . 1 . . . . . . . . . 5047 1 501 . 1 1 65 65 ARG HA H 1 5.180 0.020 . 1 . . . . . . . . . 5047 1 502 . 1 1 65 65 ARG HB2 H 1 1.553 0.020 . 1 . . . . . . . . . 5047 1 503 . 1 1 65 65 ARG HB3 H 1 1.735 0.020 . 1 . . . . . . . . . 5047 1 504 . 1 1 65 65 ARG HG3 H 1 1.097 0.020 . 1 . . . . . . . . . 5047 1 505 . 1 1 65 65 ARG HG2 H 1 1.149 0.020 . 1 . . . . . . . . . 5047 1 506 . 1 1 65 65 ARG HD2 H 1 2.893 0.020 . 1 . . . . . . . . . 5047 1 507 . 1 1 65 65 ARG HD3 H 1 2.893 0.020 . 1 . . . . . . . . . 5047 1 508 . 1 1 65 65 ARG NE N 15 86.000 0.100 . 1 . . . . . . . . . 5047 1 509 . 1 1 65 65 ARG HE H 1 8.235 0.020 . 1 . . . . . . . . . 5047 1 510 . 1 1 66 66 VAL N N 15 125.600 0.100 . 1 . . . . . . . . . 5047 1 511 . 1 1 66 66 VAL H H 1 8.980 0.020 . 1 . . . . . . . . . 5047 1 512 . 1 1 66 66 VAL HA H 1 4.940 0.020 . 1 . . . . . . . . . 5047 1 513 . 1 1 66 66 VAL HB H 1 1.785 0.020 . 1 . . . . . . . . . 5047 1 514 . 1 1 66 66 VAL HG11 H 1 0.742 0.020 . 1 . . . . . . . . . 5047 1 515 . 1 1 66 66 VAL HG12 H 1 0.742 0.020 . 1 . . . . . . . . . 5047 1 516 . 1 1 66 66 VAL HG13 H 1 0.742 0.020 . 1 . . . . . . . . . 5047 1 517 . 1 1 66 66 VAL HG21 H 1 0.742 0.020 . 1 . . . . . . . . . 5047 1 518 . 1 1 66 66 VAL HG22 H 1 0.742 0.020 . 1 . . . . . . . . . 5047 1 519 . 1 1 66 66 VAL HG23 H 1 0.742 0.020 . 1 . . . . . . . . . 5047 1 520 . 1 1 67 67 TYR N N 15 124.500 0.100 . 1 . . . . . . . . . 5047 1 521 . 1 1 67 67 TYR H H 1 8.542 0.020 . 1 . . . . . . . . . 5047 1 522 . 1 1 67 67 TYR HA H 1 5.254 0.020 . 1 . . . . . . . . . 5047 1 523 . 1 1 67 67 TYR HB2 H 1 2.895 0.020 . 1 . . . . . . . . . 5047 1 524 . 1 1 67 67 TYR HB3 H 1 3.086 0.020 . 1 . . . . . . . . . 5047 1 525 . 1 1 67 67 TYR HD1 H 1 7.137 0.020 . 1 . . . . . . . . . 5047 1 526 . 1 1 67 67 TYR HD2 H 1 7.137 0.020 . 1 . . . . . . . . . 5047 1 527 . 1 1 67 67 TYR HE1 H 1 6.825 0.020 . 1 . . . . . . . . . 5047 1 528 . 1 1 67 67 TYR HE2 H 1 6.825 0.020 . 1 . . . . . . . . . 5047 1 529 . 1 1 68 68 SER N N 15 118.600 0.100 . 1 . . . . . . . . . 5047 1 530 . 1 1 68 68 SER H H 1 8.689 0.020 . 1 . . . . . . . . . 5047 1 531 . 1 1 68 68 SER HA H 1 4.881 0.020 . 1 . . . . . . . . . 5047 1 532 . 1 1 68 68 SER HB2 H 1 4.083 0.020 . 1 . . . . . . . . . 5047 1 533 . 1 1 68 68 SER HB3 H 1 4.083 0.020 . 1 . . . . . . . . . 5047 1 534 . 1 1 69 69 LEU N N 15 126.300 0.100 . 1 . . . . . . . . . 5047 1 535 . 1 1 69 69 LEU H H 1 8.738 0.020 . 1 . . . . . . . . . 5047 1 536 . 1 1 69 69 LEU HA H 1 5.081 0.020 . 1 . . . . . . . . . 5047 1 537 . 1 1 69 69 LEU HB3 H 1 1.107 0.020 . 1 . . . . . . . . . 5047 1 538 . 1 1 69 69 LEU HB2 H 1 1.696 0.020 . 1 . . . . . . . . . 5047 1 539 . 1 1 69 69 LEU HG H 1 1.710 0.020 . 1 . . . . . . . . . 5047 1 540 . 1 1 69 69 LEU HD11 H 1 0.906 0.020 . 1 . . . . . . . . . 5047 1 541 . 1 1 69 69 LEU HD12 H 1 0.906 0.020 . 1 . . . . . . . . . 5047 1 542 . 1 1 69 69 LEU HD13 H 1 0.906 0.020 . 1 . . . . . . . . . 5047 1 543 . 1 1 69 69 LEU HD21 H 1 1.020 0.020 . 1 . . . . . . . . . 5047 1 544 . 1 1 69 69 LEU HD22 H 1 1.020 0.020 . 1 . . . . . . . . . 5047 1 545 . 1 1 69 69 LEU HD23 H 1 1.020 0.020 . 1 . . . . . . . . . 5047 1 546 . 1 1 70 70 PRO HA H 1 4.741 0.020 . 1 . . . . . . . . . 5047 1 547 . 1 1 70 70 PRO HB2 H 1 1.926 0.020 . 2 . . . . . . . . . 5047 1 548 . 1 1 70 70 PRO HB3 H 1 2.557 0.020 . 2 . . . . . . . . . 5047 1 549 . 1 1 70 70 PRO HG3 H 1 2.051 0.020 . 1 . . . . . . . . . 5047 1 550 . 1 1 70 70 PRO HG2 H 1 2.115 0.020 . 1 . . . . . . . . . 5047 1 551 . 1 1 70 70 PRO HD2 H 1 3.581 0.020 . 1 . . . . . . . . . 5047 1 552 . 1 1 70 70 PRO HD3 H 1 3.903 0.020 . 1 . . . . . . . . . 5047 1 553 . 1 1 71 71 GLY N N 15 111.700 0.100 . 1 . . . . . . . . . 5047 1 554 . 1 1 71 71 GLY H H 1 8.812 0.020 . 1 . . . . . . . . . 5047 1 555 . 1 1 71 71 GLY HA2 H 1 3.535 0.020 . 1 . . . . . . . . . 5047 1 556 . 1 1 71 71 GLY HA3 H 1 3.959 0.020 . 1 . . . . . . . . . 5047 1 557 . 1 1 72 72 ARG N N 15 117.700 0.100 . 1 . . . . . . . . . 5047 1 558 . 1 1 72 72 ARG H H 1 7.607 0.020 . 1 . . . . . . . . . 5047 1 559 . 1 1 72 72 ARG HA H 1 4.690 0.020 . 1 . . . . . . . . . 5047 1 560 . 1 1 72 72 ARG HB2 H 1 1.234 0.020 . 1 . . . . . . . . . 5047 1 561 . 1 1 72 72 ARG HB3 H 1 1.755 0.020 . 1 . . . . . . . . . 5047 1 562 . 1 1 72 72 ARG HG2 H 1 0.793 0.020 . 1 . . . . . . . . . 5047 1 563 . 1 1 72 72 ARG HG3 H 1 1.358 0.020 . 1 . . . . . . . . . 5047 1 564 . 1 1 72 72 ARG HD2 H 1 2.783 0.020 . 1 . . . . . . . . . 5047 1 565 . 1 1 72 72 ARG HD3 H 1 2.889 0.020 . 1 . . . . . . . . . 5047 1 566 . 1 1 72 72 ARG NE N 15 84.600 0.100 . 1 . . . . . . . . . 5047 1 567 . 1 1 72 72 ARG HE H 1 6.866 0.020 . 1 . . . . . . . . . 5047 1 568 . 1 1 73 73 GLU N N 15 115.300 0.100 . 1 . . . . . . . . . 5047 1 569 . 1 1 73 73 GLU H H 1 7.968 0.020 . 1 . . . . . . . . . 5047 1 570 . 1 1 73 73 GLU HA H 1 4.627 0.020 . 1 . . . . . . . . . 5047 1 571 . 1 1 73 73 GLU HB3 H 1 1.859 0.020 . 1 . . . . . . . . . 5047 1 572 . 1 1 73 73 GLU HB2 H 1 2.081 0.020 . 1 . . . . . . . . . 5047 1 573 . 1 1 73 73 GLU HG2 H 1 2.264 0.020 . 1 . . . . . . . . . 5047 1 574 . 1 1 73 73 GLU HG3 H 1 2.264 0.020 . 1 . . . . . . . . . 5047 1 575 . 1 1 74 74 ASN N N 15 114.300 0.100 . 1 . . . . . . . . . 5047 1 576 . 1 1 74 74 ASN H H 1 8.141 0.020 . 1 . . . . . . . . . 5047 1 577 . 1 1 74 74 ASN HA H 1 4.540 0.020 . 1 . . . . . . . . . 5047 1 578 . 1 1 74 74 ASN HB2 H 1 2.748 0.020 . 1 . . . . . . . . . 5047 1 579 . 1 1 74 74 ASN HB3 H 1 2.748 0.020 . 1 . . . . . . . . . 5047 1 580 . 1 1 74 74 ASN ND2 N 15 114.500 0.100 . 1 . . . . . . . . . 5047 1 581 . 1 1 74 74 ASN HD21 H 1 6.877 0.020 . 1 . . . . . . . . . 5047 1 582 . 1 1 74 74 ASN HD22 H 1 7.592 0.020 . 1 . . . . . . . . . 5047 1 583 . 1 1 75 75 TYR N N 15 119.600 0.100 . 1 . . . . . . . . . 5047 1 584 . 1 1 75 75 TYR H H 1 8.520 0.020 . 1 . . . . . . . . . 5047 1 585 . 1 1 75 75 TYR HA H 1 4.412 0.020 . 1 . . . . . . . . . 5047 1 586 . 1 1 75 75 TYR HB3 H 1 2.682 0.020 . 1 . . . . . . . . . 5047 1 587 . 1 1 75 75 TYR HB2 H 1 2.864 0.020 . 1 . . . . . . . . . 5047 1 588 . 1 1 75 75 TYR HD1 H 1 7.165 0.020 . 1 . . . . . . . . . 5047 1 589 . 1 1 75 75 TYR HD2 H 1 7.165 0.020 . 1 . . . . . . . . . 5047 1 590 . 1 1 75 75 TYR HE1 H 1 6.202 0.020 . 1 . . . . . . . . . 5047 1 591 . 1 1 75 75 TYR HE2 H 1 6.202 0.020 . 1 . . . . . . . . . 5047 1 592 . 1 1 75 75 TYR HH H 1 8.475 0.020 . 1 . . . . . . . . . 5047 1 593 . 1 1 76 76 SER N N 15 119.600 0.100 . 1 . . . . . . . . . 5047 1 594 . 1 1 76 76 SER H H 1 8.003 0.020 . 1 . . . . . . . . . 5047 1 595 . 1 1 76 76 SER HA H 1 4.368 0.020 . 1 . . . . . . . . . 5047 1 596 . 1 1 76 76 SER HB2 H 1 3.596 0.020 . 1 . . . . . . . . . 5047 1 597 . 1 1 76 76 SER HB3 H 1 3.829 0.020 . 1 . . . . . . . . . 5047 1 598 . 1 1 77 77 SER N N 15 112.100 0.100 . 1 . . . . . . . . . 5047 1 599 . 1 1 77 77 SER H H 1 7.987 0.020 . 1 . . . . . . . . . 5047 1 600 . 1 1 77 77 SER HA H 1 4.464 0.020 . 1 . . . . . . . . . 5047 1 601 . 1 1 77 77 SER HB2 H 1 3.656 0.020 . 1 . . . . . . . . . 5047 1 602 . 1 1 77 77 SER HB3 H 1 3.753 0.020 . 1 . . . . . . . . . 5047 1 603 . 1 1 78 78 VAL N N 15 128.300 0.100 . 1 . . . . . . . . . 5047 1 604 . 1 1 78 78 VAL H H 1 8.871 0.020 . 1 . . . . . . . . . 5047 1 605 . 1 1 78 78 VAL HA H 1 4.318 0.020 . 1 . . . . . . . . . 5047 1 606 . 1 1 78 78 VAL HB H 1 1.701 0.020 . 1 . . . . . . . . . 5047 1 607 . 1 1 78 78 VAL HG11 H 1 0.840 0.020 . 1 . . . . . . . . . 5047 1 608 . 1 1 78 78 VAL HG12 H 1 0.840 0.020 . 1 . . . . . . . . . 5047 1 609 . 1 1 78 78 VAL HG13 H 1 0.840 0.020 . 1 . . . . . . . . . 5047 1 610 . 1 1 78 78 VAL HG21 H 1 0.887 0.020 . 1 . . . . . . . . . 5047 1 611 . 1 1 78 78 VAL HG22 H 1 0.887 0.020 . 1 . . . . . . . . . 5047 1 612 . 1 1 78 78 VAL HG23 H 1 0.887 0.020 . 1 . . . . . . . . . 5047 1 613 . 1 1 79 79 ASP N N 15 133.600 0.100 . 1 . . . . . . . . . 5047 1 614 . 1 1 79 79 ASP H H 1 9.342 0.020 . 1 . . . . . . . . . 5047 1 615 . 1 1 79 79 ASP HA H 1 5.569 0.020 . 1 . . . . . . . . . 5047 1 616 . 1 1 79 79 ASP HB2 H 1 2.774 0.020 . 1 . . . . . . . . . 5047 1 617 . 1 1 79 79 ASP HB3 H 1 2.881 0.020 . 1 . . . . . . . . . 5047 1 618 . 1 1 80 80 ALA N N 15 129.900 0.100 . 1 . . . . . . . . . 5047 1 619 . 1 1 80 80 ALA H H 1 9.146 0.020 . 1 . . . . . . . . . 5047 1 620 . 1 1 80 80 ALA HA H 1 4.416 0.020 . 1 . . . . . . . . . 5047 1 621 . 1 1 80 80 ALA HB1 H 1 0.805 0.020 . 1 . . . . . . . . . 5047 1 622 . 1 1 80 80 ALA HB2 H 1 0.805 0.020 . 1 . . . . . . . . . 5047 1 623 . 1 1 80 80 ALA HB3 H 1 0.805 0.020 . 1 . . . . . . . . . 5047 1 624 . 1 1 81 81 ASN N N 15 116.100 0.100 . 1 . . . . . . . . . 5047 1 625 . 1 1 81 81 ASN H H 1 8.984 0.020 . 1 . . . . . . . . . 5047 1 626 . 1 1 81 81 ASN HA H 1 4.159 0.020 . 1 . . . . . . . . . 5047 1 627 . 1 1 81 81 ASN HB3 H 1 2.691 0.020 . 1 . . . . . . . . . 5047 1 628 . 1 1 81 81 ASN HB2 H 1 2.873 0.020 . 1 . . . . . . . . . 5047 1 629 . 1 1 81 81 ASN ND2 N 15 117.100 0.100 . 1 . . . . . . . . . 5047 1 630 . 1 1 81 81 ASN HD22 H 1 7.066 0.020 . 1 . . . . . . . . . 5047 1 631 . 1 1 81 81 ASN HD21 H 1 7.128 0.020 . 1 . . . . . . . . . 5047 1 632 . 1 1 82 82 GLY N N 15 102.200 0.100 . 1 . . . . . . . . . 5047 1 633 . 1 1 82 82 GLY H H 1 8.576 0.020 . 1 . . . . . . . . . 5047 1 634 . 1 1 82 82 GLY HA2 H 1 3.583 0.020 . 1 . . . . . . . . . 5047 1 635 . 1 1 82 82 GLY HA3 H 1 4.158 0.020 . 1 . . . . . . . . . 5047 1 636 . 1 1 83 83 ILE N N 15 121.300 0.100 . 1 . . . . . . . . . 5047 1 637 . 1 1 83 83 ILE H H 1 8.052 0.020 . 1 . . . . . . . . . 5047 1 638 . 1 1 83 83 ILE HA H 1 4.237 0.020 . 1 . . . . . . . . . 5047 1 639 . 1 1 83 83 ILE HB H 1 2.018 0.020 . 1 . . . . . . . . . 5047 1 640 . 1 1 83 83 ILE HG21 H 1 0.742 0.020 . 1 . . . . . . . . . 5047 1 641 . 1 1 83 83 ILE HG22 H 1 0.742 0.020 . 1 . . . . . . . . . 5047 1 642 . 1 1 83 83 ILE HG23 H 1 0.742 0.020 . 1 . . . . . . . . . 5047 1 643 . 1 1 83 83 ILE HG12 H 1 1.220 0.020 . 1 . . . . . . . . . 5047 1 644 . 1 1 83 83 ILE HG13 H 1 1.661 0.020 . 1 . . . . . . . . . 5047 1 645 . 1 1 83 83 ILE HD11 H 1 0.878 0.020 . 1 . . . . . . . . . 5047 1 646 . 1 1 83 83 ILE HD12 H 1 0.878 0.020 . 1 . . . . . . . . . 5047 1 647 . 1 1 83 83 ILE HD13 H 1 0.878 0.020 . 1 . . . . . . . . . 5047 1 648 . 1 1 84 84 GLN N N 15 128.000 0.100 . 1 . . . . . . . . . 5047 1 649 . 1 1 84 84 GLN H H 1 8.867 0.020 . 1 . . . . . . . . . 5047 1 650 . 1 1 84 84 GLN HA H 1 4.686 0.020 . 1 . . . . . . . . . 5047 1 651 . 1 1 84 84 GLN HB2 H 1 1.931 0.020 . 1 . . . . . . . . . 5047 1 652 . 1 1 84 84 GLN HB3 H 1 2.127 0.020 . 1 . . . . . . . . . 5047 1 653 . 1 1 84 84 GLN HG2 H 1 2.025 0.020 . 2 . . . . . . . . . 5047 1 654 . 1 1 84 84 GLN HG3 H 1 2.240 0.020 . 2 . . . . . . . . . 5047 1 655 . 1 1 84 84 GLN NE2 N 15 112.800 0.100 . 1 . . . . . . . . . 5047 1 656 . 1 1 84 84 GLN HE22 H 1 6.752 0.020 . 1 . . . . . . . . . 5047 1 657 . 1 1 84 84 GLN HE21 H 1 7.527 0.020 . 1 . . . . . . . . . 5047 1 658 . 1 1 85 85 SER N N 15 126.000 0.100 . 1 . . . . . . . . . 5047 1 659 . 1 1 85 85 SER H H 1 8.718 0.020 . 1 . . . . . . . . . 5047 1 660 . 1 1 85 85 SER HA H 1 4.512 0.020 . 1 . . . . . . . . . 5047 1 661 . 1 1 85 85 SER HB3 H 1 3.143 0.020 . 1 . . . . . . . . . 5047 1 662 . 1 1 85 85 SER HB2 H 1 3.994 0.020 . 1 . . . . . . . . . 5047 1 663 . 1 1 85 85 SER HG H 1 4.913 0.020 . 1 . . . . . . . . . 5047 1 664 . 1 1 86 86 GLN N N 15 121.100 0.100 . 1 . . . . . . . . . 5047 1 665 . 1 1 86 86 GLN H H 1 9.281 0.020 . 1 . . . . . . . . . 5047 1 666 . 1 1 86 86 GLN HA H 1 4.617 0.020 . 1 . . . . . . . . . 5047 1 667 . 1 1 86 86 GLN HB2 H 1 1.559 0.020 . 1 . . . . . . . . . 5047 1 668 . 1 1 86 86 GLN HB3 H 1 1.559 0.020 . 1 . . . . . . . . . 5047 1 669 . 1 1 86 86 GLN HG2 H 1 2.248 0.020 . 1 . . . . . . . . . 5047 1 670 . 1 1 86 86 GLN HG3 H 1 2.248 0.020 . 1 . . . . . . . . . 5047 1 671 . 1 1 86 86 GLN NE2 N 15 112.300 0.100 . 1 . . . . . . . . . 5047 1 672 . 1 1 86 86 GLN HE22 H 1 6.856 0.020 . 1 . . . . . . . . . 5047 1 673 . 1 1 86 86 GLN HE21 H 1 7.238 0.020 . 1 . . . . . . . . . 5047 1 674 . 1 1 87 87 MET N N 15 118.400 0.100 . 1 . . . . . . . . . 5047 1 675 . 1 1 87 87 MET H H 1 8.510 0.020 . 1 . . . . . . . . . 5047 1 676 . 1 1 87 87 MET HA H 1 4.559 0.020 . 1 . . . . . . . . . 5047 1 677 . 1 1 87 87 MET HB2 H 1 2.047 0.020 . 1 . . . . . . . . . 5047 1 678 . 1 1 87 87 MET HB3 H 1 2.171 0.020 . 1 . . . . . . . . . 5047 1 679 . 1 1 87 87 MET HG3 H 1 2.643 0.020 . 1 . . . . . . . . . 5047 1 680 . 1 1 87 87 MET HG2 H 1 2.687 0.020 . 1 . . . . . . . . . 5047 1 681 . 1 1 87 87 MET HE1 H 1 2.138 0.020 . 1 . . . . . . . . . 5047 1 682 . 1 1 87 87 MET HE2 H 1 2.138 0.020 . 1 . . . . . . . . . 5047 1 683 . 1 1 87 87 MET HE3 H 1 2.138 0.020 . 1 . . . . . . . . . 5047 1 684 . 1 1 88 88 LEU N N 15 121.000 0.100 . 1 . . . . . . . . . 5047 1 685 . 1 1 88 88 LEU H H 1 7.699 0.020 . 1 . . . . . . . . . 5047 1 686 . 1 1 88 88 LEU HA H 1 4.643 0.020 . 1 . . . . . . . . . 5047 1 687 . 1 1 88 88 LEU HB3 H 1 1.374 0.020 . 1 . . . . . . . . . 5047 1 688 . 1 1 88 88 LEU HB2 H 1 1.626 0.020 . 1 . . . . . . . . . 5047 1 689 . 1 1 88 88 LEU HG H 1 1.613 0.020 . 1 . . . . . . . . . 5047 1 690 . 1 1 88 88 LEU HD11 H 1 0.006 0.020 . 1 . . . . . . . . . 5047 1 691 . 1 1 88 88 LEU HD12 H 1 0.006 0.020 . 1 . . . . . . . . . 5047 1 692 . 1 1 88 88 LEU HD13 H 1 0.006 0.020 . 1 . . . . . . . . . 5047 1 693 . 1 1 88 88 LEU HD21 H 1 0.581 0.020 . 1 . . . . . . . . . 5047 1 694 . 1 1 88 88 LEU HD22 H 1 0.581 0.020 . 1 . . . . . . . . . 5047 1 695 . 1 1 88 88 LEU HD23 H 1 0.581 0.020 . 1 . . . . . . . . . 5047 1 696 . 1 1 89 89 SER N N 15 122.500 0.100 . 1 . . . . . . . . . 5047 1 697 . 1 1 89 89 SER H H 1 8.744 0.020 . 1 . . . . . . . . . 5047 1 698 . 1 1 89 89 SER HA H 1 4.083 0.020 . 1 . . . . . . . . . 5047 1 699 . 1 1 89 89 SER HB2 H 1 4.505 0.020 . 1 . . . . . . . . . 5047 1 700 . 1 1 89 89 SER HB3 H 1 4.505 0.020 . 1 . . . . . . . . . 5047 1 701 . 1 1 90 90 ARG N N 15 116.300 0.100 . 1 . . . . . . . . . 5047 1 702 . 1 1 90 90 ARG H H 1 7.461 0.020 . 1 . . . . . . . . . 5047 1 703 . 1 1 90 90 ARG HA H 1 5.031 0.020 . 1 . . . . . . . . . 5047 1 704 . 1 1 90 90 ARG HB3 H 1 1.924 0.020 . 1 . . . . . . . . . 5047 1 705 . 1 1 90 90 ARG HB2 H 1 2.040 0.020 . 1 . . . . . . . . . 5047 1 706 . 1 1 90 90 ARG HG2 H 1 1.514 0.020 . 1 . . . . . . . . . 5047 1 707 . 1 1 90 90 ARG HG3 H 1 1.514 0.020 . 1 . . . . . . . . . 5047 1 708 . 1 1 90 90 ARG HD2 H 1 3.170 0.020 . 1 . . . . . . . . . 5047 1 709 . 1 1 90 90 ARG HD3 H 1 3.170 0.020 . 1 . . . . . . . . . 5047 1 710 . 1 1 90 90 ARG NE N 15 84.600 0.100 . 1 . . . . . . . . . 5047 1 711 . 1 1 90 90 ARG HE H 1 7.423 0.020 . 1 . . . . . . . . . 5047 1 712 . 1 1 91 91 TRP N N 15 121.600 0.100 . 1 . . . . . . . . . 5047 1 713 . 1 1 91 91 TRP H H 1 8.428 0.020 . 1 . . . . . . . . . 5047 1 714 . 1 1 91 91 TRP HA H 1 4.913 0.020 . 1 . . . . . . . . . 5047 1 715 . 1 1 91 91 TRP HB2 H 1 3.438 0.020 . 1 . . . . . . . . . 5047 1 716 . 1 1 91 91 TRP HB3 H 1 3.510 0.020 . 1 . . . . . . . . . 5047 1 717 . 1 1 91 91 TRP HD1 H 1 8.316 0.020 . 1 . . . . . . . . . 5047 1 718 . 1 1 91 91 TRP NE1 N 15 127.400 0.100 . 1 . . . . . . . . . 5047 1 719 . 1 1 91 91 TRP HE1 H 1 9.347 0.020 . 1 . . . . . . . . . 5047 1 720 . 1 1 91 91 TRP HE3 H 1 8.189 0.020 . 1 . . . . . . . . . 5047 1 721 . 1 1 91 91 TRP HZ2 H 1 7.294 0.020 . 1 . . . . . . . . . 5047 1 722 . 1 1 91 91 TRP HZ3 H 1 7.197 0.020 . 1 . . . . . . . . . 5047 1 723 . 1 1 91 91 TRP HH2 H 1 7.288 0.020 . 1 . . . . . . . . . 5047 1 724 . 1 1 92 92 SER N N 15 116.500 0.100 . 1 . . . . . . . . . 5047 1 725 . 1 1 92 92 SER H H 1 6.440 0.020 . 1 . . . . . . . . . 5047 1 726 . 1 1 92 92 SER HA H 1 4.182 0.020 . 1 . . . . . . . . . 5047 1 727 . 1 1 92 92 SER HB2 H 1 3.548 0.020 . 1 . . . . . . . . . 5047 1 728 . 1 1 92 92 SER HB3 H 1 3.852 0.020 . 1 . . . . . . . . . 5047 1 729 . 1 1 93 93 ALA N N 15 121.300 0.100 . 1 . . . . . . . . . 5047 1 730 . 1 1 93 93 ALA H H 1 7.611 0.020 . 1 . . . . . . . . . 5047 1 731 . 1 1 93 93 ALA HA H 1 4.710 0.020 . 1 . . . . . . . . . 5047 1 732 . 1 1 93 93 ALA HB1 H 1 1.690 0.020 . 1 . . . . . . . . . 5047 1 733 . 1 1 93 93 ALA HB2 H 1 1.690 0.020 . 1 . . . . . . . . . 5047 1 734 . 1 1 93 93 ALA HB3 H 1 1.690 0.020 . 1 . . . . . . . . . 5047 1 735 . 1 1 94 94 SER N N 15 114.900 0.100 . 1 . . . . . . . . . 5047 1 736 . 1 1 94 94 SER H H 1 8.433 0.020 . 1 . . . . . . . . . 5047 1 737 . 1 1 94 94 SER HA H 1 5.818 0.020 . 1 . . . . . . . . . 5047 1 738 . 1 1 94 94 SER HB2 H 1 3.369 0.020 . 1 . . . . . . . . . 5047 1 739 . 1 1 94 94 SER HB3 H 1 4.052 0.020 . 1 . . . . . . . . . 5047 1 740 . 1 1 94 94 SER HG H 1 6.183 0.020 . 1 . . . . . . . . . 5047 1 741 . 1 1 95 95 PHE N N 15 118.300 0.100 . 1 . . . . . . . . . 5047 1 742 . 1 1 95 95 PHE H H 1 9.433 0.020 . 1 . . . . . . . . . 5047 1 743 . 1 1 95 95 PHE HA H 1 5.791 0.020 . 1 . . . . . . . . . 5047 1 744 . 1 1 95 95 PHE HB2 H 1 3.242 0.020 . 1 . . . . . . . . . 5047 1 745 . 1 1 95 95 PHE HB3 H 1 3.316 0.020 . 1 . . . . . . . . . 5047 1 746 . 1 1 95 95 PHE HD1 H 1 6.986 0.020 . 1 . . . . . . . . . 5047 1 747 . 1 1 95 95 PHE HD2 H 1 6.986 0.020 . 1 . . . . . . . . . 5047 1 748 . 1 1 95 95 PHE HE1 H 1 7.119 0.020 . 1 . . . . . . . . . 5047 1 749 . 1 1 95 95 PHE HE2 H 1 7.119 0.020 . 1 . . . . . . . . . 5047 1 750 . 1 1 95 95 PHE HZ H 1 6.722 0.020 . 1 . . . . . . . . . 5047 1 751 . 1 1 96 96 THR N N 15 112.500 0.100 . 1 . . . . . . . . . 5047 1 752 . 1 1 96 96 THR H H 1 9.167 0.020 . 1 . . . . . . . . . 5047 1 753 . 1 1 96 96 THR HA H 1 5.152 0.020 . 1 . . . . . . . . . 5047 1 754 . 1 1 96 96 THR HB H 1 4.289 0.020 . 1 . . . . . . . . . 5047 1 755 . 1 1 96 96 THR HG21 H 1 1.288 0.020 . 1 . . . . . . . . . 5047 1 756 . 1 1 96 96 THR HG22 H 1 1.288 0.020 . 1 . . . . . . . . . 5047 1 757 . 1 1 96 96 THR HG23 H 1 1.288 0.020 . 1 . . . . . . . . . 5047 1 758 . 1 1 97 97 VAL N N 15 115.300 0.100 . 1 . . . . . . . . . 5047 1 759 . 1 1 97 97 VAL H H 1 8.358 0.020 . 1 . . . . . . . . . 5047 1 760 . 1 1 97 97 VAL HA H 1 5.931 0.020 . 1 . . . . . . . . . 5047 1 761 . 1 1 97 97 VAL HB H 1 1.984 0.020 . 1 . . . . . . . . . 5047 1 762 . 1 1 97 97 VAL HG11 H 1 0.948 0.020 . 1 . . . . . . . . . 5047 1 763 . 1 1 97 97 VAL HG12 H 1 0.948 0.020 . 1 . . . . . . . . . 5047 1 764 . 1 1 97 97 VAL HG13 H 1 0.948 0.020 . 1 . . . . . . . . . 5047 1 765 . 1 1 97 97 VAL HG21 H 1 1.084 0.020 . 1 . . . . . . . . . 5047 1 766 . 1 1 97 97 VAL HG22 H 1 1.084 0.020 . 1 . . . . . . . . . 5047 1 767 . 1 1 97 97 VAL HG23 H 1 1.084 0.020 . 1 . . . . . . . . . 5047 1 768 . 1 1 98 98 THR N N 15 114.300 0.100 . 1 . . . . . . . . . 5047 1 769 . 1 1 98 98 THR H H 1 9.190 0.020 . 1 . . . . . . . . . 5047 1 770 . 1 1 98 98 THR HA H 1 4.795 0.020 . 1 . . . . . . . . . 5047 1 771 . 1 1 98 98 THR HB H 1 4.518 0.020 . 1 . . . . . . . . . 5047 1 772 . 1 1 98 98 THR HG21 H 1 1.249 0.020 . 1 . . . . . . . . . 5047 1 773 . 1 1 98 98 THR HG22 H 1 1.249 0.020 . 1 . . . . . . . . . 5047 1 774 . 1 1 98 98 THR HG23 H 1 1.249 0.020 . 1 . . . . . . . . . 5047 1 775 . 1 1 99 99 LEU N N 15 124.600 0.100 . 1 . . . . . . . . . 5047 1 776 . 1 1 99 99 LEU H H 1 8.308 0.020 . 1 . . . . . . . . . 5047 1 777 . 1 1 99 99 LEU HA H 1 4.491 0.020 . 1 . . . . . . . . . 5047 1 778 . 1 1 99 99 LEU HB2 H 1 1.687 0.020 . 1 . . . . . . . . . 5047 1 779 . 1 1 99 99 LEU HB3 H 1 1.755 0.020 . 1 . . . . . . . . . 5047 1 780 . 1 1 99 99 LEU HG H 1 1.680 0.020 . 1 . . . . . . . . . 5047 1 781 . 1 1 99 99 LEU HD21 H 1 0.995 0.020 . 1 . . . . . . . . . 5047 1 782 . 1 1 99 99 LEU HD22 H 1 0.995 0.020 . 1 . . . . . . . . . 5047 1 783 . 1 1 99 99 LEU HD23 H 1 0.995 0.020 . 1 . . . . . . . . . 5047 1 784 . 1 1 99 99 LEU HD11 H 1 1.028 0.020 . 1 . . . . . . . . . 5047 1 785 . 1 1 99 99 LEU HD12 H 1 1.028 0.020 . 1 . . . . . . . . . 5047 1 786 . 1 1 99 99 LEU HD13 H 1 1.028 0.020 . 1 . . . . . . . . . 5047 1 787 . 1 1 100 100 GLU N N 15 125.800 0.100 . 1 . . . . . . . . . 5047 1 788 . 1 1 100 100 GLU H H 1 8.180 0.020 . 1 . . . . . . . . . 5047 1 789 . 1 1 100 100 GLU HA H 1 4.069 0.020 . 1 . . . . . . . . . 5047 1 790 . 1 1 100 100 GLU HB2 H 1 1.806 0.020 . 1 . . . . . . . . . 5047 1 791 . 1 1 100 100 GLU HB3 H 1 2.019 0.020 . 1 . . . . . . . . . 5047 1 792 . 1 1 100 100 GLU HG2 H 1 2.224 0.020 . 2 . . . . . . . . . 5047 1 793 . 1 1 100 100 GLU HG3 H 1 2.264 0.020 . 2 . . . . . . . . . 5047 1 stop_ save_