data_4283 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4283 _Entry.Title ; NMR Structure of the Angiogenesis Marker Oncofoetal Fibronectin ED-B Domain ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1998-12-14 _Entry.Accession_date 1998-12-14 _Entry.Last_release_date 1999-10-01 _Entry.Original_release_date 1999-10-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Roberto Fattorusso . . . 4283 2 Maurizio Pellecchia . . . 4283 3 Francesca Viti . . . 4283 4 Paolo Neri . . . 4283 5 Dario Neri . . . 4283 6 Kurt Wuthrich . . . 4283 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4283 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 657 4283 '15N chemical shifts' 97 4283 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 . . 1999-10-01 1998-12-14 original author . 4283 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4283 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99216534 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Fattorusso, R., Pellecchia, M., Viti, F., Neri, P., Neri, D. and Wuthrich, K. "NMR structure of the human oncofoetal fibronectin ED-B domain, a specific marker for angiogenesis," Structure 7, 381-390 (1999). ; _Citation.Title 'NMR Structure of the Angiogenesis Marker Oncofoetal Fibronectin ED-B Domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 4 _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 381 _Citation.Page_last 390 _Citation.Year 1999 _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 Roberto Fattorusso . . . 4283 1 2 Maurizio Pellecchia . . . 4283 1 3 Francesca Viti . . . 4283 1 4 Paolo Neri . . . 4283 1 5 Dario Neri . . . 4283 1 6 Kurt Wuthrich . . . 4283 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ED-B 4283 1 Fibronectin 4283 1 'type-III domain' 4283 1 Angiogenesis 4283 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4283 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9729785 _Citation.Full_citation 'Markley et al, J. Biomol. NMR, 12 (1998), 1-23.' _Citation.Title 'Recommendations for the presentation of NMR structures of proteins and nucleic acids. IUPAC-IUBMB-IUPAB Inter-Union Task Group on the Standardization of Data Bases of Protein and Nucleic Acid Structures Determined by NMR Spectroscopy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 1 _Citation.Page_last 23 _Citation.Year 1998 _Citation.Details ; The recommendations presented here are designed to support easier communication of NMR data and NMR structures of proteins and nucleic acids through unified nomenclature and reporting standards. Much of this document pertains to the reporting of data in journal articles; however, in the interest of the future development of structural biology, it is desirable that the bulk of the reported information be stored in computer-accessible form and be freely accessible to the scientific community in standardized formats for data exchange. These recommendations stem from an IUPAC-IUBMB-IUPAB inter-union venture with the direct involvement of ICSU and CODATA. The Task Group has reviewed previous formal recommendations and has extended them in the light of more recent developments in the field of biomolecular NMR spectroscopy. Drafts of the recommendations presented here have been examined critically by more than 50 specialists in the field and have gone through two rounds of extensive modification to incorporate suggestions and criticisms. ; 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 'J L' Markley J. L. . 4283 2 2 A Bax A. . . 4283 2 3 Y Arata Y. . . 4283 2 4 'C W' Hilbers C. W. . 4283 2 5 R Kaptein R. . . 4283 2 6 'B D' Sykes B. D. . 4283 2 7 'P E' Wright P. E. . 4283 2 8 K Wuthrich K. . . 4283 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_EDB _Assembly.Sf_category assembly _Assembly.Sf_framecode system_EDB _Assembly.Entry_ID 4283 _Assembly.ID 1 _Assembly.Name EDB _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 . _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 4283 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 EDB 1 $EDB . . . native . . . . . 4283 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 . PDB 2FNB . 'A Chain A, Nmr Structure Of The Fibronectin Ed-B Domain, Nmr, 20 Structures' . . . . 4283 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID EDB system 4283 1 EDB abbreviation 4283 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'fibronectin module' 4283 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EDB _Entity.Sf_category entity _Entity.Sf_framecode EDB _Entity.Entry_ID 4283 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fibronectin extra domain B' _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 ; MRGSEVPQLTDLSFVDITDS SIGLRWTPLNSSTIIGYRIT VVAAGEGIPIFEDFVDSSVG YYTVTGLEPGIDYDISVITL INGGESAPTTLTQQT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 19906 . EDB . . . . . 97.89 93 100.00 100.00 3.27e-56 . . . . 4283 1 2 no PDB 2FNB . "Nmr Structure Of The Fibronectin Ed-B Domain, Nmr, 20 Structures" . . . . . 100.00 95 100.00 100.00 2.78e-58 . . . . 4283 1 3 no PDB 2MNU . "Backbone And Side Chain 1h, 13c, And 15n Chemical Shift Assignments For Edb And Specific Binding Aptide" . . . . . 97.89 93 100.00 100.00 3.27e-56 . . . . 4283 1 4 no PDB 4GH7 . "Crystal Structure Of Anticalin N7a In Complex With Oncofetal Fibronectin Fragment Fn7b8" . . . . . 95.79 285 100.00 100.00 1.70e-53 . . . . 4283 1 5 no EMBL CAB52437 . "fibronectin [Homo sapiens]" . . . . . 95.79 147 100.00 100.00 4.37e-54 . . . . 4283 1 6 no GB AAA52461 . "fibronectin, partial [Homo sapiens]" . . . . . 95.79 109 100.00 100.00 1.51e-54 . . . . 4283 1 7 no GB AAA67749 . "fibronectin ED-B, partial [Canis lupus familiaris]" . . . . . 94.74 90 100.00 100.00 4.85e-54 . . . . 4283 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fibronectin extra domain B' common 4283 1 EDB abbreviation 4283 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 . MET . 4283 1 2 . ARG . 4283 1 3 . GLY . 4283 1 4 . SER . 4283 1 5 . GLU . 4283 1 6 . VAL . 4283 1 7 . PRO . 4283 1 8 . GLN . 4283 1 9 . LEU . 4283 1 10 . THR . 4283 1 11 . ASP . 4283 1 12 . LEU . 4283 1 13 . SER . 4283 1 14 . PHE . 4283 1 15 . VAL . 4283 1 16 . ASP . 4283 1 17 . ILE . 4283 1 18 . THR . 4283 1 19 . ASP . 4283 1 20 . SER . 4283 1 21 . SER . 4283 1 22 . ILE . 4283 1 23 . GLY . 4283 1 24 . LEU . 4283 1 25 . ARG . 4283 1 26 . TRP . 4283 1 27 . THR . 4283 1 28 . PRO . 4283 1 29 . LEU . 4283 1 30 . ASN . 4283 1 31 . SER . 4283 1 32 . SER . 4283 1 33 . THR . 4283 1 34 . ILE . 4283 1 35 . ILE . 4283 1 36 . GLY . 4283 1 37 . TYR . 4283 1 38 . ARG . 4283 1 39 . ILE . 4283 1 40 . THR . 4283 1 41 . VAL . 4283 1 42 . VAL . 4283 1 43 . ALA . 4283 1 44 . ALA . 4283 1 45 . GLY . 4283 1 46 . GLU . 4283 1 47 . GLY . 4283 1 48 . ILE . 4283 1 49 . PRO . 4283 1 50 . ILE . 4283 1 51 . PHE . 4283 1 52 . GLU . 4283 1 53 . ASP . 4283 1 54 . PHE . 4283 1 55 . VAL . 4283 1 56 . ASP . 4283 1 57 . SER . 4283 1 58 . SER . 4283 1 59 . VAL . 4283 1 60 . GLY . 4283 1 61 . TYR . 4283 1 62 . TYR . 4283 1 63 . THR . 4283 1 64 . VAL . 4283 1 65 . THR . 4283 1 66 . GLY . 4283 1 67 . LEU . 4283 1 68 . GLU . 4283 1 69 . PRO . 4283 1 70 . GLY . 4283 1 71 . ILE . 4283 1 72 . ASP . 4283 1 73 . TYR . 4283 1 74 . ASP . 4283 1 75 . ILE . 4283 1 76 . SER . 4283 1 77 . VAL . 4283 1 78 . ILE . 4283 1 79 . THR . 4283 1 80 . LEU . 4283 1 81 . ILE . 4283 1 82 . ASN . 4283 1 83 . GLY . 4283 1 84 . GLY . 4283 1 85 . GLU . 4283 1 86 . SER . 4283 1 87 . ALA . 4283 1 88 . PRO . 4283 1 89 . THR . 4283 1 90 . THR . 4283 1 91 . LEU . 4283 1 92 . THR . 4283 1 93 . GLN . 4283 1 94 . GLN . 4283 1 95 . THR . 4283 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 . MET 1 1 4283 1 . ARG 2 2 4283 1 . GLY 3 3 4283 1 . SER 4 4 4283 1 . GLU 5 5 4283 1 . VAL 6 6 4283 1 . PRO 7 7 4283 1 . GLN 8 8 4283 1 . LEU 9 9 4283 1 . THR 10 10 4283 1 . ASP 11 11 4283 1 . LEU 12 12 4283 1 . SER 13 13 4283 1 . PHE 14 14 4283 1 . VAL 15 15 4283 1 . ASP 16 16 4283 1 . ILE 17 17 4283 1 . THR 18 18 4283 1 . ASP 19 19 4283 1 . SER 20 20 4283 1 . SER 21 21 4283 1 . ILE 22 22 4283 1 . GLY 23 23 4283 1 . LEU 24 24 4283 1 . ARG 25 25 4283 1 . TRP 26 26 4283 1 . THR 27 27 4283 1 . PRO 28 28 4283 1 . LEU 29 29 4283 1 . ASN 30 30 4283 1 . SER 31 31 4283 1 . SER 32 32 4283 1 . THR 33 33 4283 1 . ILE 34 34 4283 1 . ILE 35 35 4283 1 . GLY 36 36 4283 1 . TYR 37 37 4283 1 . ARG 38 38 4283 1 . ILE 39 39 4283 1 . THR 40 40 4283 1 . VAL 41 41 4283 1 . VAL 42 42 4283 1 . ALA 43 43 4283 1 . ALA 44 44 4283 1 . GLY 45 45 4283 1 . GLU 46 46 4283 1 . GLY 47 47 4283 1 . ILE 48 48 4283 1 . PRO 49 49 4283 1 . ILE 50 50 4283 1 . PHE 51 51 4283 1 . GLU 52 52 4283 1 . ASP 53 53 4283 1 . PHE 54 54 4283 1 . VAL 55 55 4283 1 . ASP 56 56 4283 1 . SER 57 57 4283 1 . SER 58 58 4283 1 . VAL 59 59 4283 1 . GLY 60 60 4283 1 . TYR 61 61 4283 1 . TYR 62 62 4283 1 . THR 63 63 4283 1 . VAL 64 64 4283 1 . THR 65 65 4283 1 . GLY 66 66 4283 1 . LEU 67 67 4283 1 . GLU 68 68 4283 1 . PRO 69 69 4283 1 . GLY 70 70 4283 1 . ILE 71 71 4283 1 . ASP 72 72 4283 1 . TYR 73 73 4283 1 . ASP 74 74 4283 1 . ILE 75 75 4283 1 . SER 76 76 4283 1 . VAL 77 77 4283 1 . ILE 78 78 4283 1 . THR 79 79 4283 1 . LEU 80 80 4283 1 . ILE 81 81 4283 1 . ASN 82 82 4283 1 . GLY 83 83 4283 1 . GLY 84 84 4283 1 . GLU 85 85 4283 1 . SER 86 86 4283 1 . ALA 87 87 4283 1 . PRO 88 88 4283 1 . THR 89 89 4283 1 . THR 90 90 4283 1 . LEU 91 91 4283 1 . THR 92 92 4283 1 . GLN 93 93 4283 1 . GLN 94 94 4283 1 . THR 95 95 4283 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 4283 _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 $EDB . 9606 . . 'homo sapiens' human . . Eukaryota Metazoa homo sapiens . . . . . . . . . . . . . . . . . . . . . 4283 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 4283 _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 $EDB . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4283 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4283 _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 'fibronectin extra domain B' . . . 1 $EDB . . 1.3 . . mM . . . . 4283 1 2 NaCl . . . . . . . 40 . . mM . . . . 4283 1 3 phosphate_buffer . . . . . . . 20 . . mM . . . . 4283 1 4 H2O . . . . . . . 90 . . % . . . . 4283 1 5 D2O . . . . . . . 10 . . % . . . . 4283 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4283 _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 'fibronectin extra domain B' . . . 1 $EDB . . 1.3 . . mM . . . . 4283 2 2 NaCl . . . . . . . 40 . . mM . . . . 4283 2 3 phosphate_buffer . . . . . . . 20 . . mM . . . . 4283 2 4 D2O . . . . . . . 100 . . % . . . . 4283 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4283 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . n/a 4283 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4283 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4283 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_three _NMR_spectrometer.Entry_ID 4283 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4283 _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_one Bruker DRX . 500 . . . 4283 1 2 NMR_spectrometer_two Bruker DRX . 600 . . . 4283 1 3 NMR_spectrometer_three Bruker DRX . 750 . . . 4283 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 4283 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4283 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct . . . . . . . . . . 4283 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . 2 $citation_one . . . . 4283 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4283 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4283 1 . . 2 $sample_two . 4283 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.95 . . 1 . . . . . . . . 4283 1 2 . 1 1 1 1 MET HB2 H 1 2.06 . . 1 . . . . . . . . 4283 1 3 . 1 1 1 1 MET HB3 H 1 2.06 . . 1 . . . . . . . . 4283 1 4 . 1 1 1 1 MET HG2 H 1 2.53 . . 1 . . . . . . . . 4283 1 5 . 1 1 1 1 MET HG3 H 1 2.53 . . 1 . . . . . . . . 4283 1 6 . 1 1 2 2 ARG N N 15 113.2 . . 1 . . . . . . . . 4283 1 7 . 1 1 2 2 ARG H H 1 8.15 . . 1 . . . . . . . . 4283 1 8 . 1 1 2 2 ARG HA H 1 4.36 . . 1 . . . . . . . . 4283 1 9 . 1 1 2 2 ARG HB2 H 1 1.85 . . 2 . . . . . . . . 4283 1 10 . 1 1 2 2 ARG HB3 H 1 1.76 . . 2 . . . . . . . . 4283 1 11 . 1 1 2 2 ARG HG2 H 1 1.63 . . 1 . . . . . . . . 4283 1 12 . 1 1 2 2 ARG HG3 H 1 1.63 . . 1 . . . . . . . . 4283 1 13 . 1 1 2 2 ARG HD2 H 1 3.17 . . 1 . . . . . . . . 4283 1 14 . 1 1 2 2 ARG HD3 H 1 3.17 . . 1 . . . . . . . . 4283 1 15 . 1 1 3 3 GLY N N 15 111.6 . . 1 . . . . . . . . 4283 1 16 . 1 1 3 3 GLY H H 1 7.98 . . 1 . . . . . . . . 4283 1 17 . 1 1 3 3 GLY HA2 H 1 3.84 . . 2 . . . . . . . . 4283 1 18 . 1 1 3 3 GLY HA3 H 1 3.81 . . 2 . . . . . . . . 4283 1 19 . 1 1 4 4 SER N N 15 111.3 . . 1 . . . . . . . . 4283 1 20 . 1 1 4 4 SER H H 1 8.18 . . 1 . . . . . . . . 4283 1 21 . 1 1 4 4 SER HA H 1 4.42 . . 1 . . . . . . . . 4283 1 22 . 1 1 4 4 SER HB2 H 1 3.83 . . 2 . . . . . . . . 4283 1 23 . 1 1 4 4 SER HB3 H 1 3.81 . . 2 . . . . . . . . 4283 1 24 . 1 1 5 5 GLU N N 15 122.4 . . 1 . . . . . . . . 4283 1 25 . 1 1 5 5 GLU H H 1 8.47 . . 1 . . . . . . . . 4283 1 26 . 1 1 5 5 GLU HA H 1 4.25 . . 1 . . . . . . . . 4283 1 27 . 1 1 5 5 GLU HB2 H 1 1.89 . . 1 . . . . . . . . 4283 1 28 . 1 1 5 5 GLU HB3 H 1 1.99 . . 1 . . . . . . . . 4283 1 29 . 1 1 5 5 GLU HG2 H 1 2.21 . . 2 . . . . . . . . 4283 1 30 . 1 1 5 5 GLU HG3 H 1 2.17 . . 2 . . . . . . . . 4283 1 31 . 1 1 6 6 VAL N N 15 124.9 . . 1 . . . . . . . . 4283 1 32 . 1 1 6 6 VAL H H 1 8.20 . . 1 . . . . . . . . 4283 1 33 . 1 1 6 6 VAL HA H 1 4.18 . . 1 . . . . . . . . 4283 1 34 . 1 1 6 6 VAL HB H 1 1.57 . . 1 . . . . . . . . 4283 1 35 . 1 1 6 6 VAL HG11 H 1 0.82 . . 1 . . . . . . . . 4283 1 36 . 1 1 6 6 VAL HG12 H 1 0.82 . . 1 . . . . . . . . 4283 1 37 . 1 1 6 6 VAL HG13 H 1 0.82 . . 1 . . . . . . . . 4283 1 38 . 1 1 6 6 VAL HG21 H 1 0.75 . . 1 . . . . . . . . 4283 1 39 . 1 1 6 6 VAL HG22 H 1 0.75 . . 1 . . . . . . . . 4283 1 40 . 1 1 6 6 VAL HG23 H 1 0.75 . . 1 . . . . . . . . 4283 1 41 . 1 1 7 7 PRO HA H 1 4.39 . . 1 . . . . . . . . 4283 1 42 . 1 1 7 7 PRO HB2 H 1 2.23 . . 1 . . . . . . . . 4283 1 43 . 1 1 7 7 PRO HB3 H 1 1.92 . . 1 . . . . . . . . 4283 1 44 . 1 1 7 7 PRO HG2 H 1 2.00 . . 1 . . . . . . . . 4283 1 45 . 1 1 7 7 PRO HG3 H 1 2.00 . . 1 . . . . . . . . 4283 1 46 . 1 1 7 7 PRO HD2 H 1 3.77 . . 2 . . . . . . . . 4283 1 47 . 1 1 7 7 PRO HD3 H 1 3.52 . . 2 . . . . . . . . 4283 1 48 . 1 1 8 8 GLN N N 15 118.4 . . 1 . . . . . . . . 4283 1 49 . 1 1 8 8 GLN H H 1 8.11 . . 1 . . . . . . . . 4283 1 50 . 1 1 8 8 GLN HA H 1 4.41 . . 1 . . . . . . . . 4283 1 51 . 1 1 8 8 GLN HB2 H 1 2.08 . . 2 . . . . . . . . 4283 1 52 . 1 1 8 8 GLN HB3 H 1 1.98 . . 2 . . . . . . . . 4283 1 53 . 1 1 8 8 GLN HG2 H 1 2.37 . . 2 . . . . . . . . 4283 1 54 . 1 1 8 8 GLN HG3 H 1 2.30 . . 2 . . . . . . . . 4283 1 55 . 1 1 8 8 GLN NE2 N 15 112.4 . . 1 . . . . . . . . 4283 1 56 . 1 1 8 8 GLN HE21 H 1 7.12 . . 1 . . . . . . . . 4283 1 57 . 1 1 8 8 GLN HE22 H 1 6.70 . . 1 . . . . . . . . 4283 1 58 . 1 1 9 9 LEU N N 15 120.7 . . 1 . . . . . . . . 4283 1 59 . 1 1 9 9 LEU H H 1 8.15 . . 1 . . . . . . . . 4283 1 60 . 1 1 9 9 LEU HA H 1 4.32 . . 1 . . . . . . . . 4283 1 61 . 1 1 9 9 LEU HB2 H 1 1.19 . . 2 . . . . . . . . 4283 1 62 . 1 1 9 9 LEU HB3 H 1 1.54 . . 2 . . . . . . . . 4283 1 63 . 1 1 9 9 LEU HG H 1 0.92 . . 1 . . . . . . . . 4283 1 64 . 1 1 9 9 LEU HD11 H 1 -0.20 . . 1 . . . . . . . . 4283 1 65 . 1 1 9 9 LEU HD12 H 1 -0.20 . . 1 . . . . . . . . 4283 1 66 . 1 1 9 9 LEU HD13 H 1 -0.20 . . 1 . . . . . . . . 4283 1 67 . 1 1 9 9 LEU HD21 H 1 0.64 . . 1 . . . . . . . . 4283 1 68 . 1 1 9 9 LEU HD22 H 1 0.64 . . 1 . . . . . . . . 4283 1 69 . 1 1 9 9 LEU HD23 H 1 0.64 . . 1 . . . . . . . . 4283 1 70 . 1 1 10 10 THR N N 15 110.1 . . 1 . . . . . . . . 4283 1 71 . 1 1 10 10 THR H H 1 8.20 . . 1 . . . . . . . . 4283 1 72 . 1 1 10 10 THR HA H 1 4.72 . . 1 . . . . . . . . 4283 1 73 . 1 1 10 10 THR HB H 1 4.38 . . 1 . . . . . . . . 4283 1 74 . 1 1 10 10 THR HG21 H 1 1.19 . . 1 . . . . . . . . 4283 1 75 . 1 1 10 10 THR HG22 H 1 1.19 . . 1 . . . . . . . . 4283 1 76 . 1 1 10 10 THR HG23 H 1 1.19 . . 1 . . . . . . . . 4283 1 77 . 1 1 11 11 ASP N N 15 121.4 . . 1 . . . . . . . . 4283 1 78 . 1 1 11 11 ASP H H 1 7.62 . . 1 . . . . . . . . 4283 1 79 . 1 1 11 11 ASP HA H 1 4.75 . . 1 . . . . . . . . 4283 1 80 . 1 1 11 11 ASP HB2 H 1 2.89 . . 2 . . . . . . . . 4283 1 81 . 1 1 11 11 ASP HB3 H 1 2.44 . . 2 . . . . . . . . 4283 1 82 . 1 1 12 12 LEU N N 15 121.4 . . 1 . . . . . . . . 4283 1 83 . 1 1 12 12 LEU H H 1 7.47 . . 1 . . . . . . . . 4283 1 84 . 1 1 12 12 LEU HA H 1 4.81 . . 1 . . . . . . . . 4283 1 85 . 1 1 12 12 LEU HB2 H 1 1.63 . . 2 . . . . . . . . 4283 1 86 . 1 1 12 12 LEU HB3 H 1 1.05 . . 2 . . . . . . . . 4283 1 87 . 1 1 12 12 LEU HG H 1 1.29 . . 1 . . . . . . . . 4283 1 88 . 1 1 12 12 LEU HD11 H 1 0.60 . . 1 . . . . . . . . 4283 1 89 . 1 1 12 12 LEU HD12 H 1 0.60 . . 1 . . . . . . . . 4283 1 90 . 1 1 12 12 LEU HD13 H 1 0.60 . . 1 . . . . . . . . 4283 1 91 . 1 1 12 12 LEU HD21 H 1 0.87 . . 1 . . . . . . . . 4283 1 92 . 1 1 12 12 LEU HD22 H 1 0.87 . . 1 . . . . . . . . 4283 1 93 . 1 1 12 12 LEU HD23 H 1 0.87 . . 1 . . . . . . . . 4283 1 94 . 1 1 13 13 SER N N 15 121.7 . . 1 . . . . . . . . 4283 1 95 . 1 1 13 13 SER H H 1 9.27 . . 1 . . . . . . . . 4283 1 96 . 1 1 13 13 SER HA H 1 4.56 . . 1 . . . . . . . . 4283 1 97 . 1 1 13 13 SER HB2 H 1 3.73 . . 1 . . . . . . . . 4283 1 98 . 1 1 13 13 SER HB3 H 1 3.73 . . 1 . . . . . . . . 4283 1 99 . 1 1 14 14 PHE N N 15 118.8 . . 1 . . . . . . . . 4283 1 100 . 1 1 14 14 PHE H H 1 8.28 . . 1 . . . . . . . . 4283 1 101 . 1 1 14 14 PHE HA H 1 5.87 . . 1 . . . . . . . . 4283 1 102 . 1 1 14 14 PHE HB2 H 1 3.01 . . 1 . . . . . . . . 4283 1 103 . 1 1 14 14 PHE HB3 H 1 2.97 . . 1 . . . . . . . . 4283 1 104 . 1 1 14 14 PHE HD1 H 1 7.27 . . 1 . . . . . . . . 4283 1 105 . 1 1 14 14 PHE HD2 H 1 7.27 . . 1 . . . . . . . . 4283 1 106 . 1 1 14 14 PHE HE1 H 1 7.14 . . 1 . . . . . . . . 4283 1 107 . 1 1 14 14 PHE HE2 H 1 7.14 . . 1 . . . . . . . . 4283 1 108 . 1 1 14 14 PHE HZ H 1 7.04 . . 1 . . . . . . . . 4283 1 109 . 1 1 15 15 VAL N N 15 118.8 . . 1 . . . . . . . . 4283 1 110 . 1 1 15 15 VAL H H 1 9.13 . . 1 . . . . . . . . 4283 1 111 . 1 1 15 15 VAL HA H 1 4.46 . . 1 . . . . . . . . 4283 1 112 . 1 1 15 15 VAL HB H 1 2.05 . . 1 . . . . . . . . 4283 1 113 . 1 1 15 15 VAL HG11 H 1 0.83 . . 1 . . . . . . . . 4283 1 114 . 1 1 15 15 VAL HG12 H 1 0.83 . . 1 . . . . . . . . 4283 1 115 . 1 1 15 15 VAL HG13 H 1 0.83 . . 1 . . . . . . . . 4283 1 116 . 1 1 15 15 VAL HG21 H 1 0.77 . . 1 . . . . . . . . 4283 1 117 . 1 1 15 15 VAL HG22 H 1 0.77 . . 1 . . . . . . . . 4283 1 118 . 1 1 15 15 VAL HG23 H 1 0.77 . . 1 . . . . . . . . 4283 1 119 . 1 1 16 16 ASP N N 15 118.5 . . 1 . . . . . . . . 4283 1 120 . 1 1 16 16 ASP H H 1 8.39 . . 1 . . . . . . . . 4283 1 121 . 1 1 16 16 ASP HA H 1 4.32 . . 1 . . . . . . . . 4283 1 122 . 1 1 16 16 ASP HB2 H 1 2.60 . . 1 . . . . . . . . 4283 1 123 . 1 1 16 16 ASP HB3 H 1 2.60 . . 1 . . . . . . . . 4283 1 124 . 1 1 17 17 ILE N N 15 119.9 . . 1 . . . . . . . . 4283 1 125 . 1 1 17 17 ILE H H 1 8.20 . . 1 . . . . . . . . 4283 1 126 . 1 1 17 17 ILE HA H 1 4.09 . . 1 . . . . . . . . 4283 1 127 . 1 1 17 17 ILE HB H 1 1.73 . . 1 . . . . . . . . 4283 1 128 . 1 1 17 17 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4283 1 129 . 1 1 17 17 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4283 1 130 . 1 1 17 17 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4283 1 131 . 1 1 17 17 ILE HG12 H 1 1.50 . . 2 . . . . . . . . 4283 1 132 . 1 1 17 17 ILE HG13 H 1 0.94 . . 2 . . . . . . . . 4283 1 133 . 1 1 17 17 ILE HD11 H 1 0.77 . . 1 . . . . . . . . 4283 1 134 . 1 1 17 17 ILE HD12 H 1 0.77 . . 1 . . . . . . . . 4283 1 135 . 1 1 17 17 ILE HD13 H 1 0.77 . . 1 . . . . . . . . 4283 1 136 . 1 1 18 18 THR N N 15 119.9 . . 1 . . . . . . . . 4283 1 137 . 1 1 18 18 THR H H 1 8.75 . . 1 . . . . . . . . 4283 1 138 . 1 1 18 18 THR HA H 1 4.51 . . 1 . . . . . . . . 4283 1 139 . 1 1 18 18 THR HB H 1 4.50 . . 1 . . . . . . . . 4283 1 140 . 1 1 18 18 THR HG21 H 1 1.10 . . 1 . . . . . . . . 4283 1 141 . 1 1 18 18 THR HG22 H 1 1.10 . . 1 . . . . . . . . 4283 1 142 . 1 1 18 18 THR HG23 H 1 1.10 . . 1 . . . . . . . . 4283 1 143 . 1 1 19 19 ASP N N 15 116.3 . . 1 . . . . . . . . 4283 1 144 . 1 1 19 19 ASP H H 1 8.44 . . 1 . . . . . . . . 4283 1 145 . 1 1 19 19 ASP HA H 1 4.38 . . 1 . . . . . . . . 4283 1 146 . 1 1 19 19 ASP HB2 H 1 2.67 . . 1 . . . . . . . . 4283 1 147 . 1 1 19 19 ASP HB3 H 1 2.67 . . 1 . . . . . . . . 4283 1 148 . 1 1 20 20 SER N N 15 108.8 . . 1 . . . . . . . . 4283 1 149 . 1 1 20 20 SER H H 1 7.89 . . 1 . . . . . . . . 4283 1 150 . 1 1 20 20 SER HA H 1 4.71 . . 1 . . . . . . . . 4283 1 151 . 1 1 20 20 SER HB2 H 1 4.02 . . 1 . . . . . . . . 4283 1 152 . 1 1 20 20 SER HB3 H 1 3.63 . . 1 . . . . . . . . 4283 1 153 . 1 1 21 21 SER N N 15 117.2 . . 1 . . . . . . . . 4283 1 154 . 1 1 21 21 SER H H 1 7.57 . . 1 . . . . . . . . 4283 1 155 . 1 1 21 21 SER HA H 1 5.21 . . 1 . . . . . . . . 4283 1 156 . 1 1 21 21 SER HB2 H 1 3.66 . . 1 . . . . . . . . 4283 1 157 . 1 1 21 21 SER HB3 H 1 3.62 . . 1 . . . . . . . . 4283 1 158 . 1 1 22 22 ILE N N 15 118.8 . . 1 . . . . . . . . 4283 1 159 . 1 1 22 22 ILE H H 1 8.44 . . 1 . . . . . . . . 4283 1 160 . 1 1 22 22 ILE HA H 1 4.37 . . 1 . . . . . . . . 4283 1 161 . 1 1 22 22 ILE HB H 1 1.34 . . 1 . . . . . . . . 4283 1 162 . 1 1 22 22 ILE HG21 H 1 0.63 . . 1 . . . . . . . . 4283 1 163 . 1 1 22 22 ILE HG22 H 1 0.63 . . 1 . . . . . . . . 4283 1 164 . 1 1 22 22 ILE HG23 H 1 0.63 . . 1 . . . . . . . . 4283 1 165 . 1 1 22 22 ILE HG12 H 1 0.87 . . 1 . . . . . . . . 4283 1 166 . 1 1 22 22 ILE HG13 H 1 0.87 . . 1 . . . . . . . . 4283 1 167 . 1 1 22 22 ILE HD11 H 1 0.32 . . 1 . . . . . . . . 4283 1 168 . 1 1 22 22 ILE HD12 H 1 0.32 . . 1 . . . . . . . . 4283 1 169 . 1 1 22 22 ILE HD13 H 1 0.32 . . 1 . . . . . . . . 4283 1 170 . 1 1 23 23 GLY N N 15 114.5 . . 1 . . . . . . . . 4283 1 171 . 1 1 23 23 GLY H H 1 8.40 . . 1 . . . . . . . . 4283 1 172 . 1 1 23 23 GLY HA2 H 1 4.76 . . 1 . . . . . . . . 4283 1 173 . 1 1 23 23 GLY HA3 H 1 3.49 . . 1 . . . . . . . . 4283 1 174 . 1 1 24 24 LEU N N 15 123.1 . . 1 . . . . . . . . 4283 1 175 . 1 1 24 24 LEU H H 1 9.03 . . 1 . . . . . . . . 4283 1 176 . 1 1 24 24 LEU HA H 1 5.33 . . 1 . . . . . . . . 4283 1 177 . 1 1 24 24 LEU HB2 H 1 2.03 . . 1 . . . . . . . . 4283 1 178 . 1 1 24 24 LEU HB3 H 1 1.61 . . 1 . . . . . . . . 4283 1 179 . 1 1 24 24 LEU HG H 1 1.84 . . 1 . . . . . . . . 4283 1 180 . 1 1 24 24 LEU HD11 H 1 0.82 . . 1 . . . . . . . . 4283 1 181 . 1 1 24 24 LEU HD12 H 1 0.82 . . 1 . . . . . . . . 4283 1 182 . 1 1 24 24 LEU HD13 H 1 0.82 . . 1 . . . . . . . . 4283 1 183 . 1 1 24 24 LEU HD21 H 1 0.85 . . 1 . . . . . . . . 4283 1 184 . 1 1 24 24 LEU HD22 H 1 0.85 . . 1 . . . . . . . . 4283 1 185 . 1 1 24 24 LEU HD23 H 1 0.85 . . 1 . . . . . . . . 4283 1 186 . 1 1 25 25 ARG N N 15 119.6 . . 1 . . . . . . . . 4283 1 187 . 1 1 25 25 ARG H H 1 8.77 . . 1 . . . . . . . . 4283 1 188 . 1 1 25 25 ARG HA H 1 5.05 . . 1 . . . . . . . . 4283 1 189 . 1 1 25 25 ARG HB2 H 1 1.65 . . 2 . . . . . . . . 4283 1 190 . 1 1 25 25 ARG HB3 H 1 1.60 . . 2 . . . . . . . . 4283 1 191 . 1 1 25 25 ARG HG2 H 1 1.43 . . 1 . . . . . . . . 4283 1 192 . 1 1 25 25 ARG HG3 H 1 1.43 . . 1 . . . . . . . . 4283 1 193 . 1 1 25 25 ARG HD2 H 1 3.11 . . 2 . . . . . . . . 4283 1 194 . 1 1 25 25 ARG HD3 H 1 3.04 . . 2 . . . . . . . . 4283 1 195 . 1 1 25 25 ARG NE N 15 106.8 . . 1 . . . . . . . . 4283 1 196 . 1 1 25 25 ARG HE H 1 7.01 . . 1 . . . . . . . . 4283 1 197 . 1 1 26 26 TRP N N 15 121.7 . . 1 . . . . . . . . 4283 1 198 . 1 1 26 26 TRP H H 1 8.38 . . 1 . . . . . . . . 4283 1 199 . 1 1 26 26 TRP HA H 1 4.59 . . 1 . . . . . . . . 4283 1 200 . 1 1 26 26 TRP HB2 H 1 2.72 . . 2 . . . . . . . . 4283 1 201 . 1 1 26 26 TRP HB3 H 1 3.22 . . 2 . . . . . . . . 4283 1 202 . 1 1 26 26 TRP NE1 N 15 126.0 . . 1 . . . . . . . . 4283 1 203 . 1 1 26 26 TRP HD1 H 1 6.13 . . 1 . . . . . . . . 4283 1 204 . 1 1 26 26 TRP HE3 H 1 6.70 . . 1 . . . . . . . . 4283 1 205 . 1 1 26 26 TRP HE1 H 1 7.46 . . 1 . . . . . . . . 4283 1 206 . 1 1 26 26 TRP HZ3 H 1 6.43 . . 1 . . . . . . . . 4283 1 207 . 1 1 26 26 TRP HZ2 H 1 6.69 . . 1 . . . . . . . . 4283 1 208 . 1 1 26 26 TRP HH2 H 1 6.43 . . 1 . . . . . . . . 4283 1 209 . 1 1 27 27 THR N N 15 118.8 . . 1 . . . . . . . . 4283 1 210 . 1 1 27 27 THR H H 1 9.59 . . 1 . . . . . . . . 4283 1 211 . 1 1 27 27 THR HA H 1 4.48 . . 1 . . . . . . . . 4283 1 212 . 1 1 27 27 THR HB H 1 4.12 . . 1 . . . . . . . . 4283 1 213 . 1 1 27 27 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4283 1 214 . 1 1 27 27 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4283 1 215 . 1 1 27 27 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4283 1 216 . 1 1 28 28 PRO HA H 1 4.22 . . 1 . . . . . . . . 4283 1 217 . 1 1 28 28 PRO HB2 H 1 2.62 . . 2 . . . . . . . . 4283 1 218 . 1 1 28 28 PRO HB3 H 1 1.92 . . 2 . . . . . . . . 4283 1 219 . 1 1 28 28 PRO HG2 H 1 1.82 . . 2 . . . . . . . . 4283 1 220 . 1 1 28 28 PRO HG3 H 1 1.48 . . 2 . . . . . . . . 4283 1 221 . 1 1 28 28 PRO HD2 H 1 4.12 . . 2 . . . . . . . . 4283 1 222 . 1 1 28 28 PRO HD3 H 1 3.58 . . 2 . . . . . . . . 4283 1 223 . 1 1 29 29 LEU N N 15 123.9 . . 1 . . . . . . . . 4283 1 224 . 1 1 29 29 LEU H H 1 7.72 . . 1 . . . . . . . . 4283 1 225 . 1 1 29 29 LEU HA H 1 4.27 . . 1 . . . . . . . . 4283 1 226 . 1 1 29 29 LEU HB2 H 1 1.81 . . 2 . . . . . . . . 4283 1 227 . 1 1 29 29 LEU HB3 H 1 1.46 . . 2 . . . . . . . . 4283 1 228 . 1 1 29 29 LEU HG H 1 1.88 . . 1 . . . . . . . . 4283 1 229 . 1 1 29 29 LEU HD11 H 1 0.64 . . 1 . . . . . . . . 4283 1 230 . 1 1 29 29 LEU HD12 H 1 0.64 . . 1 . . . . . . . . 4283 1 231 . 1 1 29 29 LEU HD13 H 1 0.64 . . 1 . . . . . . . . 4283 1 232 . 1 1 29 29 LEU HD21 H 1 0.93 . . 1 . . . . . . . . 4283 1 233 . 1 1 29 29 LEU HD22 H 1 0.93 . . 1 . . . . . . . . 4283 1 234 . 1 1 29 29 LEU HD23 H 1 0.93 . . 1 . . . . . . . . 4283 1 235 . 1 1 30 30 ASN N N 15 119.6 . . 1 . . . . . . . . 4283 1 236 . 1 1 30 30 ASN H H 1 8.60 . . 1 . . . . . . . . 4283 1 237 . 1 1 30 30 ASN HA H 1 4.72 . . 1 . . . . . . . . 4283 1 238 . 1 1 30 30 ASN HB2 H 1 2.85 . . 2 . . . . . . . . 4283 1 239 . 1 1 30 30 ASN HB3 H 1 2.72 . . 2 . . . . . . . . 4283 1 240 . 1 1 30 30 ASN ND2 N 15 112.0 . . 1 . . . . . . . . 4283 1 241 . 1 1 30 30 ASN HD21 H 1 7.55 . . 1 . . . . . . . . 4283 1 242 . 1 1 30 30 ASN HD22 H 1 6.84 . . 1 . . . . . . . . 4283 1 243 . 1 1 31 31 SER N N 15 114.9 . . 1 . . . . . . . . 4283 1 244 . 1 1 31 31 SER H H 1 7.57 . . 1 . . . . . . . . 4283 1 245 . 1 1 31 31 SER HA H 1 4.57 . . 1 . . . . . . . . 4283 1 246 . 1 1 31 31 SER HB2 H 1 3.52 . . 2 . . . . . . . . 4283 1 247 . 1 1 31 31 SER HB3 H 1 3.96 . . 2 . . . . . . . . 4283 1 248 . 1 1 32 32 SER N N 15 115.2 . . 1 . . . . . . . . 4283 1 249 . 1 1 32 32 SER H H 1 8.17 . . 1 . . . . . . . . 4283 1 250 . 1 1 32 32 SER HA H 1 4.35 . . 1 . . . . . . . . 4283 1 251 . 1 1 32 32 SER HB2 H 1 4.02 . . 2 . . . . . . . . 4283 1 252 . 1 1 32 32 SER HB3 H 1 3.94 . . 2 . . . . . . . . 4283 1 253 . 1 1 33 33 THR N N 15 111.1 . . 1 . . . . . . . . 4283 1 254 . 1 1 33 33 THR H H 1 7.83 . . 1 . . . . . . . . 4283 1 255 . 1 1 33 33 THR HA H 1 4.76 . . 1 . . . . . . . . 4283 1 256 . 1 1 33 33 THR HB H 1 4.20 . . 1 . . . . . . . . 4283 1 257 . 1 1 33 33 THR HG21 H 1 1.20 . . 1 . . . . . . . . 4283 1 258 . 1 1 33 33 THR HG22 H 1 1.20 . . 1 . . . . . . . . 4283 1 259 . 1 1 33 33 THR HG23 H 1 1.20 . . 1 . . . . . . . . 4283 1 260 . 1 1 34 34 ILE N N 15 120.6 . . 1 . . . . . . . . 4283 1 261 . 1 1 34 34 ILE H H 1 7.10 . . 1 . . . . . . . . 4283 1 262 . 1 1 34 34 ILE HA H 1 4.22 . . 1 . . . . . . . . 4283 1 263 . 1 1 34 34 ILE HB H 1 1.89 . . 1 . . . . . . . . 4283 1 264 . 1 1 34 34 ILE HG21 H 1 0.79 . . 1 . . . . . . . . 4283 1 265 . 1 1 34 34 ILE HG22 H 1 0.79 . . 1 . . . . . . . . 4283 1 266 . 1 1 34 34 ILE HG23 H 1 0.79 . . 1 . . . . . . . . 4283 1 267 . 1 1 34 34 ILE HG12 H 1 1.47 . . 2 . . . . . . . . 4283 1 268 . 1 1 34 34 ILE HG13 H 1 1.00 . . 2 . . . . . . . . 4283 1 269 . 1 1 34 34 ILE HD11 H 1 0.77 . . 1 . . . . . . . . 4283 1 270 . 1 1 34 34 ILE HD12 H 1 0.77 . . 1 . . . . . . . . 4283 1 271 . 1 1 34 34 ILE HD13 H 1 0.77 . . 1 . . . . . . . . 4283 1 272 . 1 1 35 35 ILE N N 15 121.5 . . 1 . . . . . . . . 4283 1 273 . 1 1 35 35 ILE H H 1 8.63 . . 1 . . . . . . . . 4283 1 274 . 1 1 35 35 ILE HA H 1 4.51 . . 1 . . . . . . . . 4283 1 275 . 1 1 35 35 ILE HB H 1 1.94 . . 1 . . . . . . . . 4283 1 276 . 1 1 35 35 ILE HG21 H 1 0.87 . . 1 . . . . . . . . 4283 1 277 . 1 1 35 35 ILE HG22 H 1 0.87 . . 1 . . . . . . . . 4283 1 278 . 1 1 35 35 ILE HG23 H 1 0.87 . . 1 . . . . . . . . 4283 1 279 . 1 1 35 35 ILE HG12 H 1 1.10 . . 1 . . . . . . . . 4283 1 280 . 1 1 35 35 ILE HG13 H 1 1.10 . . 1 . . . . . . . . 4283 1 281 . 1 1 35 35 ILE HD11 H 1 0.69 . . 1 . . . . . . . . 4283 1 282 . 1 1 35 35 ILE HD12 H 1 0.69 . . 1 . . . . . . . . 4283 1 283 . 1 1 35 35 ILE HD13 H 1 0.69 . . 1 . . . . . . . . 4283 1 284 . 1 1 36 36 GLY N N 15 108.8 . . 1 . . . . . . . . 4283 1 285 . 1 1 36 36 GLY H H 1 7.24 . . 1 . . . . . . . . 4283 1 286 . 1 1 36 36 GLY HA2 H 1 3.11 . . 1 . . . . . . . . 4283 1 287 . 1 1 36 36 GLY HA3 H 1 4.54 . . 1 . . . . . . . . 4283 1 288 . 1 1 37 37 TYR N N 15 115.6 . . 1 . . . . . . . . 4283 1 289 . 1 1 37 37 TYR H H 1 8.53 . . 1 . . . . . . . . 4283 1 290 . 1 1 37 37 TYR HA H 1 5.28 . . 1 . . . . . . . . 4283 1 291 . 1 1 37 37 TYR HB2 H 1 2.40 . . 2 . . . . . . . . 4283 1 292 . 1 1 37 37 TYR HB3 H 1 2.28 . . 2 . . . . . . . . 4283 1 293 . 1 1 37 37 TYR HD1 H 1 6.86 . . 1 . . . . . . . . 4283 1 294 . 1 1 37 37 TYR HD2 H 1 6.86 . . 1 . . . . . . . . 4283 1 295 . 1 1 37 37 TYR HE1 H 1 7.02 . . 1 . . . . . . . . 4283 1 296 . 1 1 37 37 TYR HE2 H 1 7.02 . . 1 . . . . . . . . 4283 1 297 . 1 1 37 37 TYR HH H 1 10.26 . . 1 . . . . . . . . 4283 1 298 . 1 1 38 38 ARG N N 15 122.4 . . 1 . . . . . . . . 4283 1 299 . 1 1 38 38 ARG H H 1 9.16 . . 1 . . . . . . . . 4283 1 300 . 1 1 38 38 ARG HA H 1 5.02 . . 1 . . . . . . . . 4283 1 301 . 1 1 38 38 ARG HB2 H 1 1.61 . . 1 . . . . . . . . 4283 1 302 . 1 1 38 38 ARG HB3 H 1 1.61 . . 1 . . . . . . . . 4283 1 303 . 1 1 38 38 ARG HG2 H 1 1.28 . . 2 . . . . . . . . 4283 1 304 . 1 1 38 38 ARG HG3 H 1 1.18 . . 2 . . . . . . . . 4283 1 305 . 1 1 38 38 ARG HD2 H 1 3.03 . . 1 . . . . . . . . 4283 1 306 . 1 1 38 38 ARG HD3 H 1 3.03 . . 1 . . . . . . . . 4283 1 307 . 1 1 38 38 ARG NE N 15 106.6 . . 1 . . . . . . . . 4283 1 308 . 1 1 38 38 ARG HE H 1 6.87 . . 1 . . . . . . . . 4283 1 309 . 1 1 39 39 ILE N N 15 128.9 . . 1 . . . . . . . . 4283 1 310 . 1 1 39 39 ILE H H 1 8.73 . . 1 . . . . . . . . 4283 1 311 . 1 1 39 39 ILE HA H 1 4.83 . . 1 . . . . . . . . 4283 1 312 . 1 1 39 39 ILE HB H 1 1.06 . . 1 . . . . . . . . 4283 1 313 . 1 1 39 39 ILE HG21 H 1 0.47 . . 1 . . . . . . . . 4283 1 314 . 1 1 39 39 ILE HG22 H 1 0.47 . . 1 . . . . . . . . 4283 1 315 . 1 1 39 39 ILE HG23 H 1 0.47 . . 1 . . . . . . . . 4283 1 316 . 1 1 39 39 ILE HG12 H 1 0.85 . . 2 . . . . . . . . 4283 1 317 . 1 1 39 39 ILE HG13 H 1 0.59 . . 2 . . . . . . . . 4283 1 318 . 1 1 39 39 ILE HD11 H 1 0.19 . . 1 . . . . . . . . 4283 1 319 . 1 1 39 39 ILE HD12 H 1 0.19 . . 1 . . . . . . . . 4283 1 320 . 1 1 39 39 ILE HD13 H 1 0.19 . . 1 . . . . . . . . 4283 1 321 . 1 1 40 40 THR N N 15 117.8 . . 1 . . . . . . . . 4283 1 322 . 1 1 40 40 THR H H 1 8.83 . . 1 . . . . . . . . 4283 1 323 . 1 1 40 40 THR HA H 1 5.05 . . 1 . . . . . . . . 4283 1 324 . 1 1 40 40 THR HB H 1 3.88 . . 1 . . . . . . . . 4283 1 325 . 1 1 40 40 THR HG21 H 1 1.07 . . 1 . . . . . . . . 4283 1 326 . 1 1 40 40 THR HG22 H 1 1.07 . . 1 . . . . . . . . 4283 1 327 . 1 1 40 40 THR HG23 H 1 1.07 . . 1 . . . . . . . . 4283 1 328 . 1 1 41 41 VAL N N 15 122.4 . . 1 . . . . . . . . 4283 1 329 . 1 1 41 41 VAL H H 1 8.41 . . 1 . . . . . . . . 4283 1 330 . 1 1 41 41 VAL HA H 1 4.71 . . 1 . . . . . . . . 4283 1 331 . 1 1 41 41 VAL HB H 1 2.00 . . 1 . . . . . . . . 4283 1 332 . 1 1 41 41 VAL HG11 H 1 0.72 . . 1 . . . . . . . . 4283 1 333 . 1 1 41 41 VAL HG12 H 1 0.72 . . 1 . . . . . . . . 4283 1 334 . 1 1 41 41 VAL HG13 H 1 0.72 . . 1 . . . . . . . . 4283 1 335 . 1 1 41 41 VAL HG21 H 1 0.88 . . 1 . . . . . . . . 4283 1 336 . 1 1 41 41 VAL HG22 H 1 0.88 . . 1 . . . . . . . . 4283 1 337 . 1 1 41 41 VAL HG23 H 1 0.88 . . 1 . . . . . . . . 4283 1 338 . 1 1 42 42 VAL N N 15 127.2 . . 1 . . . . . . . . 4283 1 339 . 1 1 42 42 VAL H H 1 8.87 . . 1 . . . . . . . . 4283 1 340 . 1 1 42 42 VAL HA H 1 4.62 . . 1 . . . . . . . . 4283 1 341 . 1 1 42 42 VAL HB H 1 1.99 . . 1 . . . . . . . . 4283 1 342 . 1 1 42 42 VAL HG11 H 1 0.85 . . 1 . . . . . . . . 4283 1 343 . 1 1 42 42 VAL HG12 H 1 0.85 . . 1 . . . . . . . . 4283 1 344 . 1 1 42 42 VAL HG13 H 1 0.85 . . 1 . . . . . . . . 4283 1 345 . 1 1 42 42 VAL HG21 H 1 0.82 . . 1 . . . . . . . . 4283 1 346 . 1 1 42 42 VAL HG22 H 1 0.82 . . 1 . . . . . . . . 4283 1 347 . 1 1 42 42 VAL HG23 H 1 0.82 . . 1 . . . . . . . . 4283 1 348 . 1 1 43 43 ALA N N 15 130.7 . . 1 . . . . . . . . 4283 1 349 . 1 1 43 43 ALA H H 1 9.26 . . 1 . . . . . . . . 4283 1 350 . 1 1 43 43 ALA HA H 1 4.39 . . 1 . . . . . . . . 4283 1 351 . 1 1 43 43 ALA HB1 H 1 1.26 . . 1 . . . . . . . . 4283 1 352 . 1 1 43 43 ALA HB2 H 1 1.26 . . 1 . . . . . . . . 4283 1 353 . 1 1 43 43 ALA HB3 H 1 1.26 . . 1 . . . . . . . . 4283 1 354 . 1 1 44 44 ALA N N 15 126.1 . . 1 . . . . . . . . 4283 1 355 . 1 1 44 44 ALA H H 1 8.24 . . 1 . . . . . . . . 4283 1 356 . 1 1 44 44 ALA HA H 1 3.97 . . 1 . . . . . . . . 4283 1 357 . 1 1 44 44 ALA HB1 H 1 1.22 . . 1 . . . . . . . . 4283 1 358 . 1 1 44 44 ALA HB2 H 1 1.22 . . 1 . . . . . . . . 4283 1 359 . 1 1 44 44 ALA HB3 H 1 1.22 . . 1 . . . . . . . . 4283 1 360 . 1 1 45 45 GLY N N 15 111.3 . . 1 . . . . . . . . 4283 1 361 . 1 1 45 45 GLY H H 1 8.66 . . 1 . . . . . . . . 4283 1 362 . 1 1 45 45 GLY HA2 H 1 4.06 . . 2 . . . . . . . . 4283 1 363 . 1 1 45 45 GLY HA3 H 1 3.66 . . 2 . . . . . . . . 4283 1 364 . 1 1 46 46 GLU N N 15 119.7 . . 1 . . . . . . . . 4283 1 365 . 1 1 46 46 GLU H H 1 8.10 . . 1 . . . . . . . . 4283 1 366 . 1 1 46 46 GLU HA H 1 4.41 . . 1 . . . . . . . . 4283 1 367 . 1 1 46 46 GLU HB2 H 1 2.12 . . 2 . . . . . . . . 4283 1 368 . 1 1 46 46 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 4283 1 369 . 1 1 46 46 GLU HG2 H 1 2.24 . . 1 . . . . . . . . 4283 1 370 . 1 1 46 46 GLU HG3 H 1 2.24 . . 1 . . . . . . . . 4283 1 371 . 1 1 47 47 GLY N N 15 107.0 . . 1 . . . . . . . . 4283 1 372 . 1 1 47 47 GLY H H 1 8.34 . . 1 . . . . . . . . 4283 1 373 . 1 1 47 47 GLY HA2 H 1 3.87 . . 1 . . . . . . . . 4283 1 374 . 1 1 47 47 GLY HA3 H 1 3.87 . . 1 . . . . . . . . 4283 1 375 . 1 1 48 48 ILE N N 15 119.9 . . 1 . . . . . . . . 4283 1 376 . 1 1 48 48 ILE H H 1 7.31 . . 1 . . . . . . . . 4283 1 377 . 1 1 48 48 ILE HA H 1 4.57 . . 1 . . . . . . . . 4283 1 378 . 1 1 48 48 ILE HB H 1 1.81 . . 1 . . . . . . . . 4283 1 379 . 1 1 48 48 ILE HG21 H 1 0.94 . . 1 . . . . . . . . 4283 1 380 . 1 1 48 48 ILE HG22 H 1 0.94 . . 1 . . . . . . . . 4283 1 381 . 1 1 48 48 ILE HG23 H 1 0.94 . . 1 . . . . . . . . 4283 1 382 . 1 1 48 48 ILE HG12 H 1 1.11 . . 1 . . . . . . . . 4283 1 383 . 1 1 48 48 ILE HG13 H 1 1.46 . . 1 . . . . . . . . 4283 1 384 . 1 1 48 48 ILE HD11 H 1 0.82 . . 1 . . . . . . . . 4283 1 385 . 1 1 48 48 ILE HD12 H 1 0.82 . . 1 . . . . . . . . 4283 1 386 . 1 1 48 48 ILE HD13 H 1 0.82 . . 1 . . . . . . . . 4283 1 387 . 1 1 49 49 PRO HA H 1 4.55 . . 1 . . . . . . . . 4283 1 388 . 1 1 49 49 PRO HB2 H 1 2.21 . . 2 . . . . . . . . 4283 1 389 . 1 1 49 49 PRO HB3 H 1 1.84 . . 2 . . . . . . . . 4283 1 390 . 1 1 49 49 PRO HG2 H 1 2.08 . . 1 . . . . . . . . 4283 1 391 . 1 1 49 49 PRO HG3 H 1 2.08 . . 1 . . . . . . . . 4283 1 392 . 1 1 49 49 PRO HD2 H 1 4.01 . . 1 . . . . . . . . 4283 1 393 . 1 1 49 49 PRO HD3 H 1 3.69 . . 1 . . . . . . . . 4283 1 394 . 1 1 50 50 ILE N N 15 121.7 . . 1 . . . . . . . . 4283 1 395 . 1 1 50 50 ILE H H 1 8.80 . . 1 . . . . . . . . 4283 1 396 . 1 1 50 50 ILE HA H 1 4.30 . . 1 . . . . . . . . 4283 1 397 . 1 1 50 50 ILE HB H 1 1.89 . . 1 . . . . . . . . 4283 1 398 . 1 1 50 50 ILE HG21 H 1 0.99 . . 1 . . . . . . . . 4283 1 399 . 1 1 50 50 ILE HG22 H 1 0.99 . . 1 . . . . . . . . 4283 1 400 . 1 1 50 50 ILE HG23 H 1 0.99 . . 1 . . . . . . . . 4283 1 401 . 1 1 50 50 ILE HG12 H 1 1.55 . . 2 . . . . . . . . 4283 1 402 . 1 1 50 50 ILE HG13 H 1 1.34 . . 2 . . . . . . . . 4283 1 403 . 1 1 50 50 ILE HD11 H 1 0.94 . . 1 . . . . . . . . 4283 1 404 . 1 1 50 50 ILE HD12 H 1 0.94 . . 1 . . . . . . . . 4283 1 405 . 1 1 50 50 ILE HD13 H 1 0.94 . . 1 . . . . . . . . 4283 1 406 . 1 1 51 51 PHE N N 15 122.4 . . 1 . . . . . . . . 4283 1 407 . 1 1 51 51 PHE H H 1 8.12 . . 1 . . . . . . . . 4283 1 408 . 1 1 51 51 PHE HA H 1 4.77 . . 1 . . . . . . . . 4283 1 409 . 1 1 51 51 PHE HB2 H 1 3.17 . . 2 . . . . . . . . 4283 1 410 . 1 1 51 51 PHE HB3 H 1 2.73 . . 2 . . . . . . . . 4283 1 411 . 1 1 51 51 PHE HD1 H 1 7.10 . . 1 . . . . . . . . 4283 1 412 . 1 1 51 51 PHE HD2 H 1 7.10 . . 1 . . . . . . . . 4283 1 413 . 1 1 51 51 PHE HE1 H 1 7.41 . . 1 . . . . . . . . 4283 1 414 . 1 1 51 51 PHE HE2 H 1 7.41 . . 1 . . . . . . . . 4283 1 415 . 1 1 51 51 PHE HZ H 1 7.54 . . 1 . . . . . . . . 4283 1 416 . 1 1 52 52 GLU N N 15 124.2 . . 1 . . . . . . . . 4283 1 417 . 1 1 52 52 GLU H H 1 7.57 . . 1 . . . . . . . . 4283 1 418 . 1 1 52 52 GLU HA H 1 5.32 . . 1 . . . . . . . . 4283 1 419 . 1 1 52 52 GLU HB2 H 1 1.77 . . 1 . . . . . . . . 4283 1 420 . 1 1 52 52 GLU HB3 H 1 1.77 . . 1 . . . . . . . . 4283 1 421 . 1 1 52 52 GLU HG2 H 1 1.98 . . 1 . . . . . . . . 4283 1 422 . 1 1 52 52 GLU HG3 H 1 1.98 . . 1 . . . . . . . . 4283 1 423 . 1 1 53 53 ASP N N 15 120.6 . . 1 . . . . . . . . 4283 1 424 . 1 1 53 53 ASP H H 1 8.79 . . 1 . . . . . . . . 4283 1 425 . 1 1 53 53 ASP HA H 1 4.89 . . 1 . . . . . . . . 4283 1 426 . 1 1 53 53 ASP HB2 H 1 2.68 . . 2 . . . . . . . . 4283 1 427 . 1 1 53 53 ASP HB3 H 1 2.28 . . 2 . . . . . . . . 4283 1 428 . 1 1 54 54 PHE N N 15 121.0 . . 1 . . . . . . . . 4283 1 429 . 1 1 54 54 PHE H H 1 8.81 . . 1 . . . . . . . . 4283 1 430 . 1 1 54 54 PHE HA H 1 5.43 . . 1 . . . . . . . . 4283 1 431 . 1 1 54 54 PHE HB2 H 1 2.95 . . 2 . . . . . . . . 4283 1 432 . 1 1 54 54 PHE HB3 H 1 2.90 . . 2 . . . . . . . . 4283 1 433 . 1 1 54 54 PHE HD1 H 1 7.06 . . 1 . . . . . . . . 4283 1 434 . 1 1 54 54 PHE HD2 H 1 7.06 . . 1 . . . . . . . . 4283 1 435 . 1 1 54 54 PHE HE1 H 1 7.13 . . 1 . . . . . . . . 4283 1 436 . 1 1 54 54 PHE HE2 H 1 7.13 . . 1 . . . . . . . . 4283 1 437 . 1 1 54 54 PHE HZ H 1 7.17 . . 1 . . . . . . . . 4283 1 438 . 1 1 55 55 VAL N N 15 117.4 . . 1 . . . . . . . . 4283 1 439 . 1 1 55 55 VAL H H 1 8.55 . . 1 . . . . . . . . 4283 1 440 . 1 1 55 55 VAL HA H 1 4.72 . . 1 . . . . . . . . 4283 1 441 . 1 1 55 55 VAL HB H 1 2.31 . . 1 . . . . . . . . 4283 1 442 . 1 1 55 55 VAL HG11 H 1 1.07 . . 1 . . . . . . . . 4283 1 443 . 1 1 55 55 VAL HG12 H 1 1.07 . . 1 . . . . . . . . 4283 1 444 . 1 1 55 55 VAL HG13 H 1 1.07 . . 1 . . . . . . . . 4283 1 445 . 1 1 55 55 VAL HG21 H 1 1.12 . . 1 . . . . . . . . 4283 1 446 . 1 1 55 55 VAL HG22 H 1 1.12 . . 1 . . . . . . . . 4283 1 447 . 1 1 55 55 VAL HG23 H 1 1.12 . . 1 . . . . . . . . 4283 1 448 . 1 1 56 56 ASP N N 15 119.2 . . 1 . . . . . . . . 4283 1 449 . 1 1 56 56 ASP H H 1 8.23 . . 1 . . . . . . . . 4283 1 450 . 1 1 56 56 ASP HA H 1 4.68 . . 1 . . . . . . . . 4283 1 451 . 1 1 56 56 ASP HB2 H 1 3.12 . . 2 . . . . . . . . 4283 1 452 . 1 1 56 56 ASP HB3 H 1 2.74 . . 2 . . . . . . . . 4283 1 453 . 1 1 57 57 SER N N 15 111.3 . . 1 . . . . . . . . 4283 1 454 . 1 1 57 57 SER H H 1 7.71 . . 1 . . . . . . . . 4283 1 455 . 1 1 57 57 SER HA H 1 4.02 . . 1 . . . . . . . . 4283 1 456 . 1 1 57 57 SER HB2 H 1 3.42 . . 1 . . . . . . . . 4283 1 457 . 1 1 57 57 SER HB3 H 1 3.42 . . 1 . . . . . . . . 4283 1 458 . 1 1 58 58 SER N N 15 117.4 . . 1 . . . . . . . . 4283 1 459 . 1 1 58 58 SER H H 1 8.72 . . 1 . . . . . . . . 4283 1 460 . 1 1 58 58 SER HA H 1 4.51 . . 1 . . . . . . . . 4283 1 461 . 1 1 58 58 SER HB2 H 1 4.04 . . 1 . . . . . . . . 4283 1 462 . 1 1 58 58 SER HB3 H 1 3.87 . . 1 . . . . . . . . 4283 1 463 . 1 1 59 59 VAL N N 15 127.1 . . 1 . . . . . . . . 4283 1 464 . 1 1 59 59 VAL H H 1 7.73 . . 1 . . . . . . . . 4283 1 465 . 1 1 59 59 VAL HA H 1 3.64 . . 1 . . . . . . . . 4283 1 466 . 1 1 59 59 VAL HB H 1 2.34 . . 1 . . . . . . . . 4283 1 467 . 1 1 59 59 VAL HG11 H 1 1.03 . . 1 . . . . . . . . 4283 1 468 . 1 1 59 59 VAL HG12 H 1 1.03 . . 1 . . . . . . . . 4283 1 469 . 1 1 59 59 VAL HG13 H 1 1.03 . . 1 . . . . . . . . 4283 1 470 . 1 1 59 59 VAL HG21 H 1 1.08 . . 1 . . . . . . . . 4283 1 471 . 1 1 59 59 VAL HG22 H 1 1.08 . . 1 . . . . . . . . 4283 1 472 . 1 1 59 59 VAL HG23 H 1 1.08 . . 1 . . . . . . . . 4283 1 473 . 1 1 60 60 GLY N N 15 109.1 . . 1 . . . . . . . . 4283 1 474 . 1 1 60 60 GLY H H 1 7.43 . . 1 . . . . . . . . 4283 1 475 . 1 1 60 60 GLY HA2 H 1 2.39 . . 1 . . . . . . . . 4283 1 476 . 1 1 60 60 GLY HA3 H 1 2.74 . . 1 . . . . . . . . 4283 1 477 . 1 1 61 61 TYR N N 15 117.8 . . 1 . . . . . . . . 4283 1 478 . 1 1 61 61 TYR H H 1 6.34 . . 1 . . . . . . . . 4283 1 479 . 1 1 61 61 TYR HA H 1 5.04 . . 1 . . . . . . . . 4283 1 480 . 1 1 61 61 TYR HB2 H 1 2.71 . . 2 . . . . . . . . 4283 1 481 . 1 1 61 61 TYR HB3 H 1 2.59 . . 2 . . . . . . . . 4283 1 482 . 1 1 61 61 TYR HD1 H 1 6.81 . . 1 . . . . . . . . 4283 1 483 . 1 1 61 61 TYR HD2 H 1 6.81 . . 1 . . . . . . . . 4283 1 484 . 1 1 61 61 TYR HE1 H 1 6.61 . . 1 . . . . . . . . 4283 1 485 . 1 1 61 61 TYR HE2 H 1 6.61 . . 1 . . . . . . . . 4283 1 486 . 1 1 62 62 TYR N N 15 125.3 . . 1 . . . . . . . . 4283 1 487 . 1 1 62 62 TYR H H 1 8.31 . . 1 . . . . . . . . 4283 1 488 . 1 1 62 62 TYR HA H 1 4.31 . . 1 . . . . . . . . 4283 1 489 . 1 1 62 62 TYR HB2 H 1 3.13 . . 2 . . . . . . . . 4283 1 490 . 1 1 62 62 TYR HB3 H 1 2.65 . . 2 . . . . . . . . 4283 1 491 . 1 1 62 62 TYR HD1 H 1 6.92 . . 1 . . . . . . . . 4283 1 492 . 1 1 62 62 TYR HD2 H 1 6.92 . . 1 . . . . . . . . 4283 1 493 . 1 1 62 62 TYR HE1 H 1 6.75 . . 1 . . . . . . . . 4283 1 494 . 1 1 62 62 TYR HE2 H 1 6.75 . . 1 . . . . . . . . 4283 1 495 . 1 1 63 63 THR N N 15 122.8 . . 1 . . . . . . . . 4283 1 496 . 1 1 63 63 THR H H 1 7.45 . . 1 . . . . . . . . 4283 1 497 . 1 1 63 63 THR HA H 1 4.78 . . 1 . . . . . . . . 4283 1 498 . 1 1 63 63 THR HB H 1 3.62 . . 1 . . . . . . . . 4283 1 499 . 1 1 63 63 THR HG21 H 1 0.90 . . 1 . . . . . . . . 4283 1 500 . 1 1 63 63 THR HG22 H 1 0.90 . . 1 . . . . . . . . 4283 1 501 . 1 1 63 63 THR HG23 H 1 0.90 . . 1 . . . . . . . . 4283 1 502 . 1 1 64 64 VAL N N 15 105.2 . . 1 . . . . . . . . 4283 1 503 . 1 1 64 64 VAL H H 1 9.09 . . 1 . . . . . . . . 4283 1 504 . 1 1 64 64 VAL HA H 1 3.97 . . 1 . . . . . . . . 4283 1 505 . 1 1 64 64 VAL HB H 1 2.01 . . 1 . . . . . . . . 4283 1 506 . 1 1 64 64 VAL HG11 H 1 0.68 . . 1 . . . . . . . . 4283 1 507 . 1 1 64 64 VAL HG12 H 1 0.68 . . 1 . . . . . . . . 4283 1 508 . 1 1 64 64 VAL HG13 H 1 0.68 . . 1 . . . . . . . . 4283 1 509 . 1 1 64 64 VAL HG21 H 1 0.95 . . 1 . . . . . . . . 4283 1 510 . 1 1 64 64 VAL HG22 H 1 0.95 . . 1 . . . . . . . . 4283 1 511 . 1 1 64 64 VAL HG23 H 1 0.95 . . 1 . . . . . . . . 4283 1 512 . 1 1 65 65 THR N N 15 117.0 . . 1 . . . . . . . . 4283 1 513 . 1 1 65 65 THR H H 1 7.92 . . 1 . . . . . . . . 4283 1 514 . 1 1 65 65 THR HA H 1 4.69 . . 1 . . . . . . . . 4283 1 515 . 1 1 65 65 THR HB H 1 4.13 . . 1 . . . . . . . . 4283 1 516 . 1 1 65 65 THR HG21 H 1 0.95 . . 1 . . . . . . . . 4283 1 517 . 1 1 65 65 THR HG22 H 1 0.95 . . 1 . . . . . . . . 4283 1 518 . 1 1 65 65 THR HG23 H 1 0.95 . . 1 . . . . . . . . 4283 1 519 . 1 1 66 66 GLY N N 15 106.3 . . 1 . . . . . . . . 4283 1 520 . 1 1 66 66 GLY H H 1 8.35 . . 1 . . . . . . . . 4283 1 521 . 1 1 66 66 GLY HA2 H 1 3.89 . . 2 . . . . . . . . 4283 1 522 . 1 1 66 66 GLY HA3 H 1 3.68 . . 2 . . . . . . . . 4283 1 523 . 1 1 67 67 LEU N N 15 119.5 . . 1 . . . . . . . . 4283 1 524 . 1 1 67 67 LEU H H 1 7.99 . . 1 . . . . . . . . 4283 1 525 . 1 1 67 67 LEU HA H 1 4.04 . . 1 . . . . . . . . 4283 1 526 . 1 1 67 67 LEU HB2 H 1 1.12 . . 1 . . . . . . . . 4283 1 527 . 1 1 67 67 LEU HB3 H 1 1.16 . . 1 . . . . . . . . 4283 1 528 . 1 1 67 67 LEU HG H 1 0.96 . . 1 . . . . . . . . 4283 1 529 . 1 1 67 67 LEU HD11 H 1 0.19 . . 1 . . . . . . . . 4283 1 530 . 1 1 67 67 LEU HD12 H 1 0.19 . . 1 . . . . . . . . 4283 1 531 . 1 1 67 67 LEU HD13 H 1 0.19 . . 1 . . . . . . . . 4283 1 532 . 1 1 67 67 LEU HD21 H 1 -0.21 . . 1 . . . . . . . . 4283 1 533 . 1 1 67 67 LEU HD22 H 1 -0.21 . . 1 . . . . . . . . 4283 1 534 . 1 1 67 67 LEU HD23 H 1 -0.21 . . 1 . . . . . . . . 4283 1 535 . 1 1 68 68 GLU N N 15 122.8 . . 1 . . . . . . . . 4283 1 536 . 1 1 68 68 GLU H H 1 8.38 . . 1 . . . . . . . . 4283 1 537 . 1 1 68 68 GLU HA H 1 4.66 . . 1 . . . . . . . . 4283 1 538 . 1 1 68 68 GLU HB2 H 1 1.92 . . 1 . . . . . . . . 4283 1 539 . 1 1 68 68 GLU HB3 H 1 2.02 . . 1 . . . . . . . . 4283 1 540 . 1 1 68 68 GLU HG2 H 1 2.29 . . 2 . . . . . . . . 4283 1 541 . 1 1 68 68 GLU HG3 H 1 2.23 . . 2 . . . . . . . . 4283 1 542 . 1 1 69 69 PRO HA H 1 4.63 . . 1 . . . . . . . . 4283 1 543 . 1 1 69 69 PRO HB2 H 1 2.28 . . 2 . . . . . . . . 4283 1 544 . 1 1 69 69 PRO HB3 H 1 1.89 . . 2 . . . . . . . . 4283 1 545 . 1 1 69 69 PRO HG2 H 1 1.99 . . 1 . . . . . . . . 4283 1 546 . 1 1 69 69 PRO HG3 H 1 1.99 . . 1 . . . . . . . . 4283 1 547 . 1 1 69 69 PRO HD2 H 1 3.85 . . 2 . . . . . . . . 4283 1 548 . 1 1 69 69 PRO HD3 H 1 3.69 . . 2 . . . . . . . . 4283 1 549 . 1 1 70 70 GLY N N 15 109.1 . . 1 . . . . . . . . 4283 1 550 . 1 1 70 70 GLY H H 1 8.55 . . 1 . . . . . . . . 4283 1 551 . 1 1 70 70 GLY HA2 H 1 3.99 . . 2 . . . . . . . . 4283 1 552 . 1 1 70 70 GLY HA3 H 1 3.65 . . 2 . . . . . . . . 4283 1 553 . 1 1 71 71 ILE N N 15 121.4 . . 1 . . . . . . . . 4283 1 554 . 1 1 71 71 ILE H H 1 7.41 . . 1 . . . . . . . . 4283 1 555 . 1 1 71 71 ILE HA H 1 4.05 . . 1 . . . . . . . . 4283 1 556 . 1 1 71 71 ILE HB H 1 1.61 . . 1 . . . . . . . . 4283 1 557 . 1 1 71 71 ILE HG21 H 1 0.18 . . 1 . . . . . . . . 4283 1 558 . 1 1 71 71 ILE HG22 H 1 0.18 . . 1 . . . . . . . . 4283 1 559 . 1 1 71 71 ILE HG23 H 1 0.18 . . 1 . . . . . . . . 4283 1 560 . 1 1 71 71 ILE HG12 H 1 1.16 . . 2 . . . . . . . . 4283 1 561 . 1 1 71 71 ILE HG13 H 1 0.95 . . 2 . . . . . . . . 4283 1 562 . 1 1 71 71 ILE HD11 H 1 0.63 . . 1 . . . . . . . . 4283 1 563 . 1 1 71 71 ILE HD12 H 1 0.63 . . 1 . . . . . . . . 4283 1 564 . 1 1 71 71 ILE HD13 H 1 0.63 . . 1 . . . . . . . . 4283 1 565 . 1 1 72 72 ASP N N 15 124.6 . . 1 . . . . . . . . 4283 1 566 . 1 1 72 72 ASP H H 1 7.98 . . 1 . . . . . . . . 4283 1 567 . 1 1 72 72 ASP HA H 1 4.81 . . 1 . . . . . . . . 4283 1 568 . 1 1 72 72 ASP HB2 H 1 2.31 . . 1 . . . . . . . . 4283 1 569 . 1 1 72 72 ASP HB3 H 1 2.41 . . 1 . . . . . . . . 4283 1 570 . 1 1 73 73 TYR N N 15 121.4 . . 1 . . . . . . . . 4283 1 571 . 1 1 73 73 TYR H H 1 8.69 . . 1 . . . . . . . . 4283 1 572 . 1 1 73 73 TYR HA H 1 5.07 . . 1 . . . . . . . . 4283 1 573 . 1 1 73 73 TYR HB2 H 1 2.64 . . 1 . . . . . . . . 4283 1 574 . 1 1 73 73 TYR HB3 H 1 2.64 . . 1 . . . . . . . . 4283 1 575 . 1 1 73 73 TYR HD1 H 1 6.84 . . 1 . . . . . . . . 4283 1 576 . 1 1 73 73 TYR HD2 H 1 6.84 . . 1 . . . . . . . . 4283 1 577 . 1 1 73 73 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 4283 1 578 . 1 1 73 73 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 4283 1 579 . 1 1 74 74 ASP N N 15 122.6 . . 1 . . . . . . . . 4283 1 580 . 1 1 74 74 ASP H H 1 9.24 . . 1 . . . . . . . . 4283 1 581 . 1 1 74 74 ASP HA H 1 5.19 . . 1 . . . . . . . . 4283 1 582 . 1 1 74 74 ASP HB2 H 1 2.54 . . 1 . . . . . . . . 4283 1 583 . 1 1 74 74 ASP HB3 H 1 2.27 . . 1 . . . . . . . . 4283 1 584 . 1 1 75 75 ILE N N 15 105.9 . . 1 . . . . . . . . 4283 1 585 . 1 1 75 75 ILE H H 1 9.30 . . 1 . . . . . . . . 4283 1 586 . 1 1 75 75 ILE HA H 1 4.94 . . 1 . . . . . . . . 4283 1 587 . 1 1 75 75 ILE HB H 1 1.92 . . 1 . . . . . . . . 4283 1 588 . 1 1 75 75 ILE HG21 H 1 0.87 . . 1 . . . . . . . . 4283 1 589 . 1 1 75 75 ILE HG22 H 1 0.87 . . 1 . . . . . . . . 4283 1 590 . 1 1 75 75 ILE HG23 H 1 0.87 . . 1 . . . . . . . . 4283 1 591 . 1 1 75 75 ILE HG12 H 1 1.67 . . 2 . . . . . . . . 4283 1 592 . 1 1 75 75 ILE HG13 H 1 1.08 . . 2 . . . . . . . . 4283 1 593 . 1 1 75 75 ILE HD11 H 1 0.79 . . 1 . . . . . . . . 4283 1 594 . 1 1 75 75 ILE HD12 H 1 0.79 . . 1 . . . . . . . . 4283 1 595 . 1 1 75 75 ILE HD13 H 1 0.79 . . 1 . . . . . . . . 4283 1 596 . 1 1 76 76 SER N N 15 120.6 . . 1 . . . . . . . . 4283 1 597 . 1 1 76 76 SER H H 1 8.98 . . 1 . . . . . . . . 4283 1 598 . 1 1 76 76 SER HA H 1 5.62 . . 1 . . . . . . . . 4283 1 599 . 1 1 76 76 SER HB2 H 1 3.59 . . 2 . . . . . . . . 4283 1 600 . 1 1 76 76 SER HB3 H 1 3.41 . . 2 . . . . . . . . 4283 1 601 . 1 1 77 77 VAL N N 15 119.9 . . 1 . . . . . . . . 4283 1 602 . 1 1 77 77 VAL H H 1 8.32 . . 1 . . . . . . . . 4283 1 603 . 1 1 77 77 VAL HA H 1 4.80 . . 1 . . . . . . . . 4283 1 604 . 1 1 77 77 VAL HB H 1 1.23 . . 1 . . . . . . . . 4283 1 605 . 1 1 77 77 VAL HG11 H 1 -0.21 . . 1 . . . . . . . . 4283 1 606 . 1 1 77 77 VAL HG12 H 1 -0.21 . . 1 . . . . . . . . 4283 1 607 . 1 1 77 77 VAL HG13 H 1 -0.21 . . 1 . . . . . . . . 4283 1 608 . 1 1 77 77 VAL HG21 H 1 0.28 . . 1 . . . . . . . . 4283 1 609 . 1 1 77 77 VAL HG22 H 1 0.28 . . 1 . . . . . . . . 4283 1 610 . 1 1 77 77 VAL HG23 H 1 0.28 . . 1 . . . . . . . . 4283 1 611 . 1 1 78 78 ILE N N 15 130.0 . . 1 . . . . . . . . 4283 1 612 . 1 1 78 78 ILE H H 1 9.25 . . 1 . . . . . . . . 4283 1 613 . 1 1 78 78 ILE HA H 1 3.98 . . 1 . . . . . . . . 4283 1 614 . 1 1 78 78 ILE HB H 1 1.60 . . 1 . . . . . . . . 4283 1 615 . 1 1 78 78 ILE HG21 H 1 0.90 . . 1 . . . . . . . . 4283 1 616 . 1 1 78 78 ILE HG22 H 1 0.90 . . 1 . . . . . . . . 4283 1 617 . 1 1 78 78 ILE HG23 H 1 0.90 . . 1 . . . . . . . . 4283 1 618 . 1 1 78 78 ILE HG12 H 1 1.19 . . 1 . . . . . . . . 4283 1 619 . 1 1 78 78 ILE HG13 H 1 1.19 . . 1 . . . . . . . . 4283 1 620 . 1 1 78 78 ILE HD11 H 1 0.77 . . 1 . . . . . . . . 4283 1 621 . 1 1 78 78 ILE HD12 H 1 0.77 . . 1 . . . . . . . . 4283 1 622 . 1 1 78 78 ILE HD13 H 1 0.77 . . 1 . . . . . . . . 4283 1 623 . 1 1 79 79 THR N N 15 124.6 . . 1 . . . . . . . . 4283 1 624 . 1 1 79 79 THR H H 1 8.63 . . 1 . . . . . . . . 4283 1 625 . 1 1 79 79 THR HA H 1 4.21 . . 1 . . . . . . . . 4283 1 626 . 1 1 79 79 THR HB H 1 3.92 . . 1 . . . . . . . . 4283 1 627 . 1 1 79 79 THR HG21 H 1 1.11 . . 1 . . . . . . . . 4283 1 628 . 1 1 79 79 THR HG22 H 1 1.11 . . 1 . . . . . . . . 4283 1 629 . 1 1 79 79 THR HG23 H 1 1.11 . . 1 . . . . . . . . 4283 1 630 . 1 1 80 80 LEU N N 15 125.3 . . 1 . . . . . . . . 4283 1 631 . 1 1 80 80 LEU H H 1 8.46 . . 1 . . . . . . . . 4283 1 632 . 1 1 80 80 LEU HA H 1 4.89 . . 1 . . . . . . . . 4283 1 633 . 1 1 80 80 LEU HB2 H 1 1.46 . . 2 . . . . . . . . 4283 1 634 . 1 1 80 80 LEU HB3 H 1 1.32 . . 2 . . . . . . . . 4283 1 635 . 1 1 80 80 LEU HG H 1 1.58 . . 1 . . . . . . . . 4283 1 636 . 1 1 80 80 LEU HD11 H 1 0.86 . . 1 . . . . . . . . 4283 1 637 . 1 1 80 80 LEU HD12 H 1 0.86 . . 1 . . . . . . . . 4283 1 638 . 1 1 80 80 LEU HD13 H 1 0.86 . . 1 . . . . . . . . 4283 1 639 . 1 1 80 80 LEU HD21 H 1 0.83 . . 1 . . . . . . . . 4283 1 640 . 1 1 80 80 LEU HD22 H 1 0.83 . . 1 . . . . . . . . 4283 1 641 . 1 1 80 80 LEU HD23 H 1 0.83 . . 1 . . . . . . . . 4283 1 642 . 1 1 81 81 ILE N N 15 115.6 . . 1 . . . . . . . . 4283 1 643 . 1 1 81 81 ILE H H 1 8.00 . . 1 . . . . . . . . 4283 1 644 . 1 1 81 81 ILE HA H 1 4.84 . . 1 . . . . . . . . 4283 1 645 . 1 1 81 81 ILE HB H 1 1.82 . . 1 . . . . . . . . 4283 1 646 . 1 1 81 81 ILE HG21 H 1 0.77 . . 1 . . . . . . . . 4283 1 647 . 1 1 81 81 ILE HG22 H 1 0.77 . . 1 . . . . . . . . 4283 1 648 . 1 1 81 81 ILE HG23 H 1 0.77 . . 1 . . . . . . . . 4283 1 649 . 1 1 81 81 ILE HG12 H 1 1.10 . . 2 . . . . . . . . 4283 1 650 . 1 1 81 81 ILE HG13 H 1 0.88 . . 2 . . . . . . . . 4283 1 651 . 1 1 81 81 ILE HD11 H 1 0.67 . . 1 . . . . . . . . 4283 1 652 . 1 1 81 81 ILE HD12 H 1 0.67 . . 1 . . . . . . . . 4283 1 653 . 1 1 81 81 ILE HD13 H 1 0.67 . . 1 . . . . . . . . 4283 1 654 . 1 1 82 82 ASN N N 15 119.9 . . 1 . . . . . . . . 4283 1 655 . 1 1 82 82 ASN H H 1 8.88 . . 1 . . . . . . . . 4283 1 656 . 1 1 82 82 ASN HA H 1 4.56 . . 1 . . . . . . . . 4283 1 657 . 1 1 82 82 ASN HB2 H 1 2.76 . . 2 . . . . . . . . 4283 1 658 . 1 1 82 82 ASN HB3 H 1 2.65 . . 2 . . . . . . . . 4283 1 659 . 1 1 82 82 ASN ND2 N 15 112.7 . . 1 . . . . . . . . 4283 1 660 . 1 1 82 82 ASN HD21 H 1 7.61 . . 1 . . . . . . . . 4283 1 661 . 1 1 82 82 ASN HD22 H 1 6.91 . . 1 . . . . . . . . 4283 1 662 . 1 1 83 83 GLY N N 15 115.2 . . 1 . . . . . . . . 4283 1 663 . 1 1 83 83 GLY H H 1 8.87 . . 1 . . . . . . . . 4283 1 664 . 1 1 83 83 GLY HA2 H 1 4.05 . . 2 . . . . . . . . 4283 1 665 . 1 1 83 83 GLY HA3 H 1 3.78 . . 2 . . . . . . . . 4283 1 666 . 1 1 84 84 GLY N N 15 107.3 . . 1 . . . . . . . . 4283 1 667 . 1 1 84 84 GLY H H 1 7.62 . . 1 . . . . . . . . 4283 1 668 . 1 1 84 84 GLY HA2 H 1 4.23 . . 2 . . . . . . . . 4283 1 669 . 1 1 84 84 GLY HA3 H 1 3.77 . . 2 . . . . . . . . 4283 1 670 . 1 1 85 85 GLU N N 15 116.0 . . 1 . . . . . . . . 4283 1 671 . 1 1 85 85 GLU H H 1 8.23 . . 1 . . . . . . . . 4283 1 672 . 1 1 85 85 GLU HA H 1 5.20 . . 1 . . . . . . . . 4283 1 673 . 1 1 85 85 GLU HB2 H 1 1.88 . . 1 . . . . . . . . 4283 1 674 . 1 1 85 85 GLU HB3 H 1 1.88 . . 1 . . . . . . . . 4283 1 675 . 1 1 85 85 GLU HG2 H 1 2.15 . . 1 . . . . . . . . 4283 1 676 . 1 1 85 85 GLU HG3 H 1 2.15 . . 1 . . . . . . . . 4283 1 677 . 1 1 86 86 SER N N 15 116.7 . . 1 . . . . . . . . 4283 1 678 . 1 1 86 86 SER H H 1 8.75 . . 1 . . . . . . . . 4283 1 679 . 1 1 86 86 SER HA H 1 4.43 . . 1 . . . . . . . . 4283 1 680 . 1 1 86 86 SER HB2 H 1 4.13 . . 1 . . . . . . . . 4283 1 681 . 1 1 86 86 SER HB3 H 1 3.62 . . 1 . . . . . . . . 4283 1 682 . 1 1 87 87 ALA N N 15 122.1 . . 1 . . . . . . . . 4283 1 683 . 1 1 87 87 ALA H H 1 8.36 . . 1 . . . . . . . . 4283 1 684 . 1 1 87 87 ALA HA H 1 4.52 . . 1 . . . . . . . . 4283 1 685 . 1 1 87 87 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 4283 1 686 . 1 1 87 87 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 4283 1 687 . 1 1 87 87 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 4283 1 688 . 1 1 88 88 PRO HA H 1 4.26 . . 1 . . . . . . . . 4283 1 689 . 1 1 88 88 PRO HB2 H 1 1.93 . . 2 . . . . . . . . 4283 1 690 . 1 1 88 88 PRO HB3 H 1 1.71 . . 2 . . . . . . . . 4283 1 691 . 1 1 88 88 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 4283 1 692 . 1 1 88 88 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 4283 1 693 . 1 1 88 88 PRO HD2 H 1 3.67 . . 1 . . . . . . . . 4283 1 694 . 1 1 88 88 PRO HD3 H 1 3.67 . . 1 . . . . . . . . 4283 1 695 . 1 1 89 89 THR N N 15 118.8 . . 1 . . . . . . . . 4283 1 696 . 1 1 89 89 THR H H 1 7.86 . . 1 . . . . . . . . 4283 1 697 . 1 1 89 89 THR HA H 1 4.40 . . 1 . . . . . . . . 4283 1 698 . 1 1 89 89 THR HB H 1 4.03 . . 1 . . . . . . . . 4283 1 699 . 1 1 89 89 THR HG21 H 1 1.16 . . 1 . . . . . . . . 4283 1 700 . 1 1 89 89 THR HG22 H 1 1.16 . . 1 . . . . . . . . 4283 1 701 . 1 1 89 89 THR HG23 H 1 1.16 . . 1 . . . . . . . . 4283 1 702 . 1 1 90 90 THR N N 15 121.7 . . 1 . . . . . . . . 4283 1 703 . 1 1 90 90 THR H H 1 8.29 . . 1 . . . . . . . . 4283 1 704 . 1 1 90 90 THR HA H 1 5.02 . . 1 . . . . . . . . 4283 1 705 . 1 1 90 90 THR HB H 1 3.68 . . 1 . . . . . . . . 4283 1 706 . 1 1 90 90 THR HG21 H 1 0.98 . . 1 . . . . . . . . 4283 1 707 . 1 1 90 90 THR HG22 H 1 0.98 . . 1 . . . . . . . . 4283 1 708 . 1 1 90 90 THR HG23 H 1 0.98 . . 1 . . . . . . . . 4283 1 709 . 1 1 91 91 LEU N N 15 127.5 . . 1 . . . . . . . . 4283 1 710 . 1 1 91 91 LEU H H 1 8.96 . . 1 . . . . . . . . 4283 1 711 . 1 1 91 91 LEU HA H 1 4.56 . . 1 . . . . . . . . 4283 1 712 . 1 1 91 91 LEU HB2 H 1 1.31 . . 1 . . . . . . . . 4283 1 713 . 1 1 91 91 LEU HB3 H 1 1.31 . . 1 . . . . . . . . 4283 1 714 . 1 1 91 91 LEU HG H 1 1.28 . . 1 . . . . . . . . 4283 1 715 . 1 1 91 91 LEU HD11 H 1 0.26 . . 1 . . . . . . . . 4283 1 716 . 1 1 91 91 LEU HD12 H 1 0.26 . . 1 . . . . . . . . 4283 1 717 . 1 1 91 91 LEU HD13 H 1 0.26 . . 1 . . . . . . . . 4283 1 718 . 1 1 91 91 LEU HD21 H 1 0.68 . . 1 . . . . . . . . 4283 1 719 . 1 1 91 91 LEU HD22 H 1 0.68 . . 1 . . . . . . . . 4283 1 720 . 1 1 91 91 LEU HD23 H 1 0.68 . . 1 . . . . . . . . 4283 1 721 . 1 1 92 92 THR N N 15 117.0 . . 1 . . . . . . . . 4283 1 722 . 1 1 92 92 THR H H 1 8.35 . . 1 . . . . . . . . 4283 1 723 . 1 1 92 92 THR HA H 1 5.38 . . 1 . . . . . . . . 4283 1 724 . 1 1 92 92 THR HB H 1 3.87 . . 1 . . . . . . . . 4283 1 725 . 1 1 92 92 THR HG21 H 1 1.13 . . 1 . . . . . . . . 4283 1 726 . 1 1 92 92 THR HG22 H 1 1.13 . . 1 . . . . . . . . 4283 1 727 . 1 1 92 92 THR HG23 H 1 1.13 . . 1 . . . . . . . . 4283 1 728 . 1 1 93 93 GLN N N 15 126.4 . . 1 . . . . . . . . 4283 1 729 . 1 1 93 93 GLN H H 1 9.06 . . 1 . . . . . . . . 4283 1 730 . 1 1 93 93 GLN HA H 1 4.60 . . 1 . . . . . . . . 4283 1 731 . 1 1 93 93 GLN HB2 H 1 1.97 . . 1 . . . . . . . . 4283 1 732 . 1 1 93 93 GLN HB3 H 1 1.97 . . 1 . . . . . . . . 4283 1 733 . 1 1 93 93 GLN HG2 H 1 2.11 . . 1 . . . . . . . . 4283 1 734 . 1 1 93 93 GLN HG3 H 1 2.11 . . 1 . . . . . . . . 4283 1 735 . 1 1 93 93 GLN NE2 N 15 111.0 . . 1 . . . . . . . . 4283 1 736 . 1 1 93 93 GLN HE21 H 1 7.22 . . 1 . . . . . . . . 4283 1 737 . 1 1 93 93 GLN HE22 H 1 6.57 . . 1 . . . . . . . . 4283 1 738 . 1 1 94 94 GLN N N 15 124.6 . . 1 . . . . . . . . 4283 1 739 . 1 1 94 94 GLN H H 1 8.27 . . 1 . . . . . . . . 4283 1 740 . 1 1 94 94 GLN HA H 1 4.88 . . 1 . . . . . . . . 4283 1 741 . 1 1 94 94 GLN HB2 H 1 1.99 . . 1 . . . . . . . . 4283 1 742 . 1 1 94 94 GLN HB3 H 1 2.03 . . 1 . . . . . . . . 4283 1 743 . 1 1 94 94 GLN HG2 H 1 2.31 . . 2 . . . . . . . . 4283 1 744 . 1 1 94 94 GLN HG3 H 1 2.20 . . 2 . . . . . . . . 4283 1 745 . 1 1 94 94 GLN NE2 N 15 112.5 . . 1 . . . . . . . . 4283 1 746 . 1 1 94 94 GLN HE21 H 1 7.73 . . 1 . . . . . . . . 4283 1 747 . 1 1 94 94 GLN HE22 H 1 6.66 . . 1 . . . . . . . . 4283 1 748 . 1 1 95 95 THR N N 15 122.8 . . 1 . . . . . . . . 4283 1 749 . 1 1 95 95 THR H H 1 8.59 . . 1 . . . . . . . . 4283 1 750 . 1 1 95 95 THR HA H 1 4.40 . . 1 . . . . . . . . 4283 1 751 . 1 1 95 95 THR HB H 1 4.41 . . 1 . . . . . . . . 4283 1 752 . 1 1 95 95 THR HG21 H 1 1.09 . . 1 . . . . . . . . 4283 1 753 . 1 1 95 95 THR HG22 H 1 1.09 . . 1 . . . . . . . . 4283 1 754 . 1 1 95 95 THR HG23 H 1 1.09 . . 1 . . . . . . . . 4283 1 stop_ save_