data_7127 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7127 _Entry.Title ; Fibronectin 2F3 chemical shift assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-22 _Entry.Accession_date 2006-05-22 _Entry.Last_release_date 2007-05-29 _Entry.Original_release_date 2007-05-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Backbone and side chain 1H, 13C and 15N chemical shift assignments of the second type III domain of human Fibronectin' _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 Ioannis Vakonakis . . . 7127 2 Iain Campbell . D. . 7127 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'University of Oxford' . 7127 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7127 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 318 7127 '15N chemical shifts' 97 7127 '1H chemical shifts' 645 7127 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 . . 2007-05-29 2006-05-22 original author . 7127 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 7128 '1F3-2F3 complex' 7127 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7127 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17464288 _Citation.Full_citation . _Citation.Title 'Interdomain association in fibronectin: insight into cryptic sites and fibrillogenesis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2575 _Citation.Page_last 2583 _Citation.Year 2007 _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 Ioannis Vakonakis . . . 7127 1 2 David Staunton . . . 7127 1 3 Luke Rooney . . . 7127 1 4 Iain Campbell . D. . 7127 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Protein structure' 7127 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7127 _Assembly.ID 1 _Assembly.Name 2F3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 9834 _Assembly.Enzyme_commission_number . _Assembly.Details 'Seconf type III domain of human Fibronectin' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7127 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 2F3 1 $Fibronectin_2F3 . . yes native no no 1 . . 7127 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fibronectin_2F3 _Entity.Sf_category entity _Entity.Sf_framecode Fibronectin_2F3 _Entity.Entry_ID 7127 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 2F3 _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 ; GPLGSHLVATSESVTEITAS SFVVSWVSASDTVSGFRVEY ELSEEGDEPQYLDLPSTATS VNIPDLLPGRKYIVNVYQIS EDGEQSLILSTSQTT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The 2F3 sequence corresponds to that of the second type III domain of fibronectin with an additional 6 non-canonical amino-terminal residues from the expression system' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9833.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 7128 . Fibronectin_1F3-2F3 . . . . . 95.79 201 98.90 98.90 4.37e-52 . . . . 7127 1 2 no PDB 2H41 . "Solution Structure Of The Second Type Iii Domain Of Human Fibronectin: Minimized Average Structure" . . . . . 100.00 95 100.00 100.00 7.33e-59 . . . . 7127 1 3 no PDB 2H45 . "Solution Structure Of The Second Type Iii Domain Of Human Fibronectin: Ensemble Of 25 Structures" . . . . . 100.00 95 100.00 100.00 7.33e-59 . . . . 7127 1 4 no PDB 2HA1 . "Complex Of The First And Second Type Iii Domains Of Human Fibronectin In Solution" . . . . . 95.79 201 98.90 98.90 4.37e-52 . . . . 7127 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Structural protein' 7127 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 2F3 . 7127 1 'Fibronectin second type III domain' . 7127 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 1 GLY . 7127 1 2 2 PRO . 7127 1 3 3 LEU . 7127 1 4 4 GLY . 7127 1 5 5 SER . 7127 1 6 6 HIS . 7127 1 7 7 LEU . 7127 1 8 8 VAL . 7127 1 9 9 ALA . 7127 1 10 10 THR . 7127 1 11 11 SER . 7127 1 12 12 GLU . 7127 1 13 13 SER . 7127 1 14 14 VAL . 7127 1 15 15 THR . 7127 1 16 16 GLU . 7127 1 17 17 ILE . 7127 1 18 18 THR . 7127 1 19 19 ALA . 7127 1 20 20 SER . 7127 1 21 21 SER . 7127 1 22 22 PHE . 7127 1 23 23 VAL . 7127 1 24 24 VAL . 7127 1 25 25 SER . 7127 1 26 26 TRP . 7127 1 27 27 VAL . 7127 1 28 28 SER . 7127 1 29 29 ALA . 7127 1 30 30 SER . 7127 1 31 31 ASP . 7127 1 32 32 THR . 7127 1 33 33 VAL . 7127 1 34 34 SER . 7127 1 35 35 GLY . 7127 1 36 36 PHE . 7127 1 37 37 ARG . 7127 1 38 38 VAL . 7127 1 39 39 GLU . 7127 1 40 40 TYR . 7127 1 41 41 GLU . 7127 1 42 42 LEU . 7127 1 43 43 SER . 7127 1 44 44 GLU . 7127 1 45 45 GLU . 7127 1 46 46 GLY . 7127 1 47 47 ASP . 7127 1 48 48 GLU . 7127 1 49 49 PRO . 7127 1 50 50 GLN . 7127 1 51 51 TYR . 7127 1 52 52 LEU . 7127 1 53 53 ASP . 7127 1 54 54 LEU . 7127 1 55 55 PRO . 7127 1 56 56 SER . 7127 1 57 57 THR . 7127 1 58 58 ALA . 7127 1 59 59 THR . 7127 1 60 60 SER . 7127 1 61 61 VAL . 7127 1 62 62 ASN . 7127 1 63 63 ILE . 7127 1 64 64 PRO . 7127 1 65 65 ASP . 7127 1 66 66 LEU . 7127 1 67 67 LEU . 7127 1 68 68 PRO . 7127 1 69 69 GLY . 7127 1 70 70 ARG . 7127 1 71 71 LYS . 7127 1 72 72 TYR . 7127 1 73 73 ILE . 7127 1 74 74 VAL . 7127 1 75 75 ASN . 7127 1 76 76 VAL . 7127 1 77 77 TYR . 7127 1 78 78 GLN . 7127 1 79 79 ILE . 7127 1 80 80 SER . 7127 1 81 81 GLU . 7127 1 82 82 ASP . 7127 1 83 83 GLY . 7127 1 84 84 GLU . 7127 1 85 85 GLN . 7127 1 86 86 SER . 7127 1 87 87 LEU . 7127 1 88 88 ILE . 7127 1 89 89 LEU . 7127 1 90 90 SER . 7127 1 91 91 THR . 7127 1 92 92 SER . 7127 1 93 93 GLN . 7127 1 94 94 THR . 7127 1 95 95 THR . 7127 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7127 1 . PRO 2 2 7127 1 . LEU 3 3 7127 1 . GLY 4 4 7127 1 . SER 5 5 7127 1 . HIS 6 6 7127 1 . LEU 7 7 7127 1 . VAL 8 8 7127 1 . ALA 9 9 7127 1 . THR 10 10 7127 1 . SER 11 11 7127 1 . GLU 12 12 7127 1 . SER 13 13 7127 1 . VAL 14 14 7127 1 . THR 15 15 7127 1 . GLU 16 16 7127 1 . ILE 17 17 7127 1 . THR 18 18 7127 1 . ALA 19 19 7127 1 . SER 20 20 7127 1 . SER 21 21 7127 1 . PHE 22 22 7127 1 . VAL 23 23 7127 1 . VAL 24 24 7127 1 . SER 25 25 7127 1 . TRP 26 26 7127 1 . VAL 27 27 7127 1 . SER 28 28 7127 1 . ALA 29 29 7127 1 . SER 30 30 7127 1 . ASP 31 31 7127 1 . THR 32 32 7127 1 . VAL 33 33 7127 1 . SER 34 34 7127 1 . GLY 35 35 7127 1 . PHE 36 36 7127 1 . ARG 37 37 7127 1 . VAL 38 38 7127 1 . GLU 39 39 7127 1 . TYR 40 40 7127 1 . GLU 41 41 7127 1 . LEU 42 42 7127 1 . SER 43 43 7127 1 . GLU 44 44 7127 1 . GLU 45 45 7127 1 . GLY 46 46 7127 1 . ASP 47 47 7127 1 . GLU 48 48 7127 1 . PRO 49 49 7127 1 . GLN 50 50 7127 1 . TYR 51 51 7127 1 . LEU 52 52 7127 1 . ASP 53 53 7127 1 . LEU 54 54 7127 1 . PRO 55 55 7127 1 . SER 56 56 7127 1 . THR 57 57 7127 1 . ALA 58 58 7127 1 . THR 59 59 7127 1 . SER 60 60 7127 1 . VAL 61 61 7127 1 . ASN 62 62 7127 1 . ILE 63 63 7127 1 . PRO 64 64 7127 1 . ASP 65 65 7127 1 . LEU 66 66 7127 1 . LEU 67 67 7127 1 . PRO 68 68 7127 1 . GLY 69 69 7127 1 . ARG 70 70 7127 1 . LYS 71 71 7127 1 . TYR 72 72 7127 1 . ILE 73 73 7127 1 . VAL 74 74 7127 1 . ASN 75 75 7127 1 . VAL 76 76 7127 1 . TYR 77 77 7127 1 . GLN 78 78 7127 1 . ILE 79 79 7127 1 . SER 80 80 7127 1 . GLU 81 81 7127 1 . ASP 82 82 7127 1 . GLY 83 83 7127 1 . GLU 84 84 7127 1 . GLN 85 85 7127 1 . SER 86 86 7127 1 . LEU 87 87 7127 1 . ILE 88 88 7127 1 . LEU 89 89 7127 1 . SER 90 90 7127 1 . THR 91 91 7127 1 . SER 92 92 7127 1 . GLN 93 93 7127 1 . THR 94 94 7127 1 . THR 95 95 7127 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 7127 _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 $Fibronectin_2F3 . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . 'Extracellular matrix' . . . . . . . . . . . . . . . . 7127 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $Fibronectin_2F3 . Swiss-Prot . P02751 . . . . 7127 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 7127 _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 $Fibronectin_2F3 . 'recombinant technology' . 'E. coli' 'BL21(DE3) Rare PRO and ARG codon+' 562 Escherichia coli BL21(DE3) RP+ . . . . . . . . . . . plamid . . pGEX-6P-3 . Amersham . . . . 7127 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7127 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U-15N 2F3, 20mM NaCl, 20mM NaPi, pH 7.0, 5% D2O' _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 2F3 [U-15N] . . 1 $Fibronectin_2F3 . protein 2 1.5 2.5 mM 0.2 . . . 7127 1 2 NaCl . . . . . . . 20 . . mM . . . . 7127 1 3 NaPi . . . . . . . 20 . . mM . . . . 7127 1 4 D2O . . . . . . . 5 . . % . . . . 7127 1 5 H2O . . . . . . . 95 . . % . . . . 7127 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7127 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U-13C,15N 2F3, 20mM NaCl, 20mM NaPi pH 7.0, 5% D2O' _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 2F3 '[U-13C; U-15N]' . . 1 $Fibronectin_2F3 . protein 1.5 1.5 1.5 mM 0.1 . . . 7127 2 2 NaCl . . . . . . . 20 . . mM . . . . 7127 2 3 NaPi . . . . . . . 20 . . mM . . . . 7127 2 4 D2O . . . . . . . 5 . . % . . . . 7127 2 5 H2O . . . . . . . 95 . . % . . . . 7127 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7127 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM NaCl, 20mM NaPi, pH 7.0 (uncorrected), 30 C, atmospheric pressure, 5% D2O' 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' 160 10 mM 7127 1 pH 7.0 0.1 pH 7127 1 pressure 1 0 atm 7127 1 temperature 303 0.5 K 7127 1 stop_ save_ save_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_2 _Sample_condition_list.Entry_ID 7127 _Sample_condition_list.ID 2 _Sample_condition_list.Details '20mM NaCl, 20mM NaPi pH 7.0 (uncorrected), 30 C, atmospheric pressure, 100% D2O' 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' 160 10 mM 7127 2 pH 7.0 0.1 pH 7127 2 pressure 1 0 atm 7127 2 temperature 303 0.5 K 7127 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7127 _Software.ID 1 _Software.Name 'Omega Spectrometer Operating Software' _Software.Version 'Beta 6.0.3b2' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 7127 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data collection' 7127 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7127 _Software.ID 2 _Software.Name NMRPipe _Software.Version '2.3 Rev 2005.319.11.22' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 7127 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 7127 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 7127 _Software.ID 3 _Software.Name PIPP _Software.Version 4.3.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH ; Dan Garrett NIH/NIDDK/LCP Bldg 5, Rm B1-27 5 Center Dr MSC 0510 Bethesda, MD 20892-0510 ; . 7127 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 7127 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7127 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Home build consoles controlled by GE/Bruker Omega software & computers' _NMR_spectrometer.Manufacturer 'home built' _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 7127 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Home build consoles controlled by GE/Bruker Omega software & computers' _NMR_spectrometer.Manufacturer 'home built' _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7127 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7127 1 2 CBCA(CO)NH no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7127 1 3 CBCANH no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7127 1 4 C(CO)NH no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7127 1 5 H(CCO)NH no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7127 1 6 HC(C)H-COSY no . . . . . . . . . . 2 $sample_2 . . . 2 $conditions_2 . . . 2 $500MHz_spectrometer . . . . . . . . . . . . . . . . 7127 1 7 'HCHC 4D NOESY' no . . . . . . . . . . 2 $sample_2 . . . 2 $conditions_2 . . . 2 $500MHz_spectrometer . . . . . . . . . . . . . . . . 7127 1 8 HBHA(CO)NH no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7127 1 9 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $500MHz_spectrometer . . . . . . . . . . . . . . . . 7127 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7127 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Referenced against internal DSS' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7127 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7127 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7127 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7127 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '1H, 13C and 15N backbone and side chain assignments' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 15N_HSQC 1 $sample_1 isotropic 7127 1 2 CBCA(CO)NH 2 $sample_2 isotropic 7127 1 3 CBCANH 2 $sample_2 isotropic 7127 1 4 C(CO)NH 2 $sample_2 isotropic 7127 1 5 H(CCO)NH 2 $sample_2 isotropic 7127 1 6 HBHA(CO)NH 2 $sample_2 isotropic 7127 1 7 HNHA 1 $sample_1 isotropic 7127 1 8 HC(C)H-COSY 2 $sample_2 isotropic 7127 1 9 HCHC_4D_NOESY 2 $sample_2 isotropic 7127 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7127 1 2 $software_2 . . 7127 1 3 $software_3 . . 7127 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.97 0.02 . 1 . . . . 1 GLY HA2 . 7127 1 2 . 1 1 1 1 GLY HA3 H 1 3.97 0.02 . 1 . . . . 1 GLY HA3 . 7127 1 3 . 1 1 1 1 GLY CA C 13 43.61 0.10 . 1 . . . . 1 GLY CA . 7127 1 4 . 1 1 2 2 PRO HA H 1 4.50 0.02 . 1 . . . . 2 PRO HA . 7127 1 5 . 1 1 2 2 PRO HB2 H 1 1.97 0.02 . 1 . . . . 2 PRO HB2 . 7127 1 6 . 1 1 2 2 PRO HB3 H 1 2.33 0.02 . 1 . . . . 2 PRO HB3 . 7127 1 7 . 1 1 2 2 PRO HG2 H 1 2.03 0.02 . 1 . . . . 2 PRO HG2 . 7127 1 8 . 1 1 2 2 PRO HG3 H 1 2.03 0.02 . 1 . . . . 2 PRO HG3 . 7127 1 9 . 1 1 2 2 PRO HD2 H 1 3.59 0.02 . 1 . . . . 2 PRO HD2 . 7127 1 10 . 1 1 2 2 PRO HD3 H 1 3.59 0.02 . 1 . . . . 2 PRO HD3 . 7127 1 11 . 1 1 2 2 PRO CA C 13 63.16 0.10 . 1 . . . . 2 PRO CA . 7127 1 12 . 1 1 2 2 PRO CB C 13 32.35 0.10 . 1 . . . . 2 PRO CB . 7127 1 13 . 1 1 2 2 PRO CG C 13 27.09 0.10 . 1 . . . . 2 PRO CG . 7127 1 14 . 1 1 2 2 PRO CD C 13 49.69 0.10 . 1 . . . . 2 PRO CD . 7127 1 15 . 1 1 3 3 LEU H H 1 8.49 0.02 . 1 . . . . 3 LEU H . 7127 1 16 . 1 1 3 3 LEU HA H 1 4.38 0.02 . 1 . . . . 3 LEU HA . 7127 1 17 . 1 1 3 3 LEU HB2 H 1 1.69 0.02 . 1 . . . . 3 LEU HB2 . 7127 1 18 . 1 1 3 3 LEU HB3 H 1 1.63 0.02 . 1 . . . . 3 LEU HB3 . 7127 1 19 . 1 1 3 3 LEU HG H 1 1.69 0.02 . 1 . . . . 3 LEU HG . 7127 1 20 . 1 1 3 3 LEU HD11 H 1 0.96 0.02 . 1 . . . . 3 LEU HD1 . 7127 1 21 . 1 1 3 3 LEU HD12 H 1 0.96 0.02 . 1 . . . . 3 LEU HD1 . 7127 1 22 . 1 1 3 3 LEU HD13 H 1 0.96 0.02 . 1 . . . . 3 LEU HD1 . 7127 1 23 . 1 1 3 3 LEU HD21 H 1 0.91 0.02 . 1 . . . . 3 LEU HD2 . 7127 1 24 . 1 1 3 3 LEU HD22 H 1 0.91 0.02 . 1 . . . . 3 LEU HD2 . 7127 1 25 . 1 1 3 3 LEU HD23 H 1 0.91 0.02 . 1 . . . . 3 LEU HD2 . 7127 1 26 . 1 1 3 3 LEU CA C 13 55.46 0.10 . 1 . . . . 3 LEU CA . 7127 1 27 . 1 1 3 3 LEU CB C 13 42.43 0.10 . 1 . . . . 3 LEU CB . 7127 1 28 . 1 1 3 3 LEU CG C 13 27.08 0.10 . 1 . . . . 3 LEU CG . 7127 1 29 . 1 1 3 3 LEU CD1 C 13 24.91 0.10 . 1 . . . . 3 LEU CD1 . 7127 1 30 . 1 1 3 3 LEU CD2 C 13 23.62 0.10 . 1 . . . . 3 LEU CD2 . 7127 1 31 . 1 1 3 3 LEU N N 15 122.44 0.10 . 1 . . . . 3 LEU N . 7127 1 32 . 1 1 4 4 GLY H H 1 8.39 0.02 . 1 . . . . 4 GLY H . 7127 1 33 . 1 1 4 4 GLY HA2 H 1 4.00 0.02 . 1 . . . . 4 GLY HA2 . 7127 1 34 . 1 1 4 4 GLY HA3 H 1 4.00 0.02 . 1 . . . . 4 GLY HA3 . 7127 1 35 . 1 1 4 4 GLY CA C 13 45.43 0.10 . 1 . . . . 4 GLY CA . 7127 1 36 . 1 1 4 4 GLY N N 15 109.67 0.10 . 1 . . . . 4 GLY N . 7127 1 37 . 1 1 5 5 SER H H 1 8.19 0.02 . 1 . . . . 5 SER H . 7127 1 38 . 1 1 5 5 SER HA H 1 4.44 0.02 . 1 . . . . 5 SER HA . 7127 1 39 . 1 1 5 5 SER HB2 H 1 3.93 0.02 . 1 . . . . 5 SER HB2 . 7127 1 40 . 1 1 5 5 SER HB3 H 1 3.93 0.02 . 1 . . . . 5 SER HB3 . 7127 1 41 . 1 1 5 5 SER CA C 13 58.60 0.10 . 1 . . . . 5 SER CA . 7127 1 42 . 1 1 5 5 SER CB C 13 63.95 0.10 . 1 . . . . 5 SER CB . 7127 1 43 . 1 1 5 5 SER N N 15 115.62 0.10 . 1 . . . . 5 SER N . 7127 1 44 . 1 1 6 6 HIS HA H 1 4.66 0.02 . 1 . . . . 6 HIS HA . 7127 1 45 . 1 1 6 6 HIS HB2 H 1 3.12 0.02 . 1 . . . . 6 HIS HB2 . 7127 1 46 . 1 1 6 6 HIS HB3 H 1 3.12 0.02 . 1 . . . . 6 HIS HB3 . 7127 1 47 . 1 1 6 6 HIS HD2 H 1 6.83 0.02 . 1 . . . . 6 HIS HD2 . 7127 1 48 . 1 1 6 6 HIS HE1 H 1 8.10 0.02 . 1 . . . . 6 HIS HE1 . 7127 1 49 . 1 1 6 6 HIS CA C 13 56.43 0.10 . 1 . . . . 6 HIS CA . 7127 1 50 . 1 1 6 6 HIS CB C 13 30.57 0.10 . 1 . . . . 6 HIS CB . 7127 1 51 . 1 1 6 6 HIS CD2 C 13 119.59 0.10 . 1 . . . . 6 HIS CD2 . 7127 1 52 . 1 1 6 6 HIS CE1 C 13 134.60 0.10 . 1 . . . . 6 HIS CE1 . 7127 1 53 . 1 1 7 7 LEU H H 1 7.99 0.02 . 1 . . . . 7 LEU H . 7127 1 54 . 1 1 7 7 LEU HA H 1 4.34 0.02 . 1 . . . . 7 LEU HA . 7127 1 55 . 1 1 7 7 LEU HB2 H 1 1.55 0.02 . 1 . . . . 7 LEU HB2 . 7127 1 56 . 1 1 7 7 LEU HB3 H 1 1.59 0.02 . 1 . . . . 7 LEU HB3 . 7127 1 57 . 1 1 7 7 LEU HG H 1 1.36 0.02 . 1 . . . . 7 LEU HG . 7127 1 58 . 1 1 7 7 LEU HD11 H 1 0.90 0.02 . 1 . . . . 7 LEU HD1 . 7127 1 59 . 1 1 7 7 LEU HD12 H 1 0.90 0.02 . 1 . . . . 7 LEU HD1 . 7127 1 60 . 1 1 7 7 LEU HD13 H 1 0.90 0.02 . 1 . . . . 7 LEU HD1 . 7127 1 61 . 1 1 7 7 LEU HD21 H 1 0.84 0.02 . 1 . . . . 7 LEU HD2 . 7127 1 62 . 1 1 7 7 LEU HD22 H 1 0.84 0.02 . 1 . . . . 7 LEU HD2 . 7127 1 63 . 1 1 7 7 LEU HD23 H 1 0.84 0.02 . 1 . . . . 7 LEU HD2 . 7127 1 64 . 1 1 7 7 LEU CA C 13 55.19 0.10 . 1 . . . . 7 LEU CA . 7127 1 65 . 1 1 7 7 LEU CB C 13 42.39 0.10 . 1 . . . . 7 LEU CB . 7127 1 66 . 1 1 7 7 LEU CG C 13 26.85 0.10 . 1 . . . . 7 LEU CG . 7127 1 67 . 1 1 7 7 LEU CD1 C 13 25.00 0.10 . 1 . . . . 7 LEU CD1 . 7127 1 68 . 1 1 7 7 LEU CD2 C 13 23.51 0.10 . 1 . . . . 7 LEU CD2 . 7127 1 69 . 1 1 7 7 LEU N N 15 123.15 0.10 . 1 . . . . 7 LEU N . 7127 1 70 . 1 1 8 8 VAL H H 1 7.97 0.02 . 1 . . . . 8 VAL H . 7127 1 71 . 1 1 8 8 VAL HA H 1 4.13 0.02 . 1 . . . . 8 VAL HA . 7127 1 72 . 1 1 8 8 VAL HB H 1 2.07 0.02 . 1 . . . . 8 VAL HB . 7127 1 73 . 1 1 8 8 VAL HG11 H 1 0.98 0.02 . 1 . . . . 8 VAL HG1 . 7127 1 74 . 1 1 8 8 VAL HG12 H 1 0.98 0.02 . 1 . . . . 8 VAL HG1 . 7127 1 75 . 1 1 8 8 VAL HG13 H 1 0.98 0.02 . 1 . . . . 8 VAL HG1 . 7127 1 76 . 1 1 8 8 VAL HG21 H 1 0.94 0.02 . 1 . . . . 8 VAL HG2 . 7127 1 77 . 1 1 8 8 VAL HG22 H 1 0.94 0.02 . 1 . . . . 8 VAL HG2 . 7127 1 78 . 1 1 8 8 VAL HG23 H 1 0.94 0.02 . 1 . . . . 8 VAL HG2 . 7127 1 79 . 1 1 8 8 VAL CA C 13 62.06 0.10 . 1 . . . . 8 VAL CA . 7127 1 80 . 1 1 8 8 VAL CB C 13 32.96 0.10 . 1 . . . . 8 VAL CB . 7127 1 81 . 1 1 8 8 VAL CG1 C 13 21.14 0.10 . 1 . . . . 8 VAL CG1 . 7127 1 82 . 1 1 8 8 VAL CG2 C 13 21.22 0.10 . 1 . . . . 8 VAL CG2 . 7127 1 83 . 1 1 8 8 VAL N N 15 120.90 0.10 . 1 . . . . 8 VAL N . 7127 1 84 . 1 1 9 9 ALA H H 1 8.38 0.02 . 1 . . . . 9 ALA H . 7127 1 85 . 1 1 9 9 ALA HA H 1 4.45 0.02 . 1 . . . . 9 ALA HA . 7127 1 86 . 1 1 9 9 ALA HB1 H 1 1.43 0.02 . 1 . . . . 9 ALA HB . 7127 1 87 . 1 1 9 9 ALA HB2 H 1 1.43 0.02 . 1 . . . . 9 ALA HB . 7127 1 88 . 1 1 9 9 ALA HB3 H 1 1.43 0.02 . 1 . . . . 9 ALA HB . 7127 1 89 . 1 1 9 9 ALA CA C 13 52.47 0.10 . 1 . . . . 9 ALA CA . 7127 1 90 . 1 1 9 9 ALA CB C 13 19.46 0.10 . 1 . . . . 9 ALA CB . 7127 1 91 . 1 1 9 9 ALA N N 15 128.03 0.10 . 1 . . . . 9 ALA N . 7127 1 92 . 1 1 10 10 THR H H 1 8.15 0.02 . 1 . . . . 10 THR H . 7127 1 93 . 1 1 10 10 THR HA H 1 4.41 0.02 . 1 . . . . 10 THR HA . 7127 1 94 . 1 1 10 10 THR HB H 1 4.31 0.02 . 1 . . . . 10 THR HB . 7127 1 95 . 1 1 10 10 THR HG21 H 1 1.24 0.02 . 1 . . . . 10 THR HG2 . 7127 1 96 . 1 1 10 10 THR HG22 H 1 1.24 0.02 . 1 . . . . 10 THR HG2 . 7127 1 97 . 1 1 10 10 THR HG23 H 1 1.24 0.02 . 1 . . . . 10 THR HG2 . 7127 1 98 . 1 1 10 10 THR CA C 13 61.71 0.10 . 1 . . . . 10 THR CA . 7127 1 99 . 1 1 10 10 THR CB C 13 69.95 0.10 . 1 . . . . 10 THR CB . 7127 1 100 . 1 1 10 10 THR CG2 C 13 21.63 0.10 . 1 . . . . 10 THR CG2 . 7127 1 101 . 1 1 10 10 THR N N 15 113.45 0.10 . 1 . . . . 10 THR N . 7127 1 102 . 1 1 11 11 SER H H 1 8.31 0.02 . 1 . . . . 11 SER H . 7127 1 103 . 1 1 11 11 SER HA H 1 4.51 0.02 . 1 . . . . 11 SER HA . 7127 1 104 . 1 1 11 11 SER HB2 H 1 3.88 0.02 . 1 . . . . 11 SER HB2 . 7127 1 105 . 1 1 11 11 SER HB3 H 1 3.88 0.02 . 1 . . . . 11 SER HB3 . 7127 1 106 . 1 1 11 11 SER CA C 13 58.49 0.10 . 1 . . . . 11 SER CA . 7127 1 107 . 1 1 11 11 SER CB C 13 63.92 0.10 . 1 . . . . 11 SER CB . 7127 1 108 . 1 1 11 11 SER N N 15 117.59 0.10 . 1 . . . . 11 SER N . 7127 1 109 . 1 1 12 12 GLU H H 1 8.45 0.02 . 1 . . . . 12 GLU H . 7127 1 110 . 1 1 12 12 GLU HA H 1 4.36 0.02 . 1 . . . . 12 GLU HA . 7127 1 111 . 1 1 12 12 GLU HB2 H 1 1.97 0.02 . 1 . . . . 12 GLU HB2 . 7127 1 112 . 1 1 12 12 GLU HB3 H 1 2.11 0.02 . 1 . . . . 12 GLU HB3 . 7127 1 113 . 1 1 12 12 GLU HG2 H 1 2.28 0.02 . 1 . . . . 12 GLU HG2 . 7127 1 114 . 1 1 12 12 GLU HG3 H 1 2.28 0.02 . 1 . . . . 12 GLU HG3 . 7127 1 115 . 1 1 12 12 GLU CA C 13 56.83 0.10 . 1 . . . . 12 GLU CA . 7127 1 116 . 1 1 12 12 GLU CB C 13 30.33 0.10 . 1 . . . . 12 GLU CB . 7127 1 117 . 1 1 12 12 GLU CG C 13 36.37 0.10 . 1 . . . . 12 GLU CG . 7127 1 118 . 1 1 12 12 GLU N N 15 122.50 0.10 . 1 . . . . 12 GLU N . 7127 1 119 . 1 1 13 13 SER H H 1 8.27 0.02 . 1 . . . . 13 SER H . 7127 1 120 . 1 1 13 13 SER HA H 1 4.51 0.02 . 1 . . . . 13 SER HA . 7127 1 121 . 1 1 13 13 SER HB2 H 1 3.84 0.02 . 1 . . . . 13 SER HB2 . 7127 1 122 . 1 1 13 13 SER HB3 H 1 3.84 0.02 . 1 . . . . 13 SER HB3 . 7127 1 123 . 1 1 13 13 SER CA C 13 58.49 0.10 . 1 . . . . 13 SER CA . 7127 1 124 . 1 1 13 13 SER CB C 13 63.90 0.10 . 1 . . . . 13 SER CB . 7127 1 125 . 1 1 13 13 SER N N 15 116.47 0.10 . 1 . . . . 13 SER N . 7127 1 126 . 1 1 14 14 VAL H H 1 8.12 0.02 . 1 . . . . 14 VAL H . 7127 1 127 . 1 1 14 14 VAL HA H 1 4.33 0.02 . 1 . . . . 14 VAL HA . 7127 1 128 . 1 1 14 14 VAL HB H 1 2.13 0.02 . 1 . . . . 14 VAL HB . 7127 1 129 . 1 1 14 14 VAL HG11 H 1 0.94 0.02 . 1 . . . . 14 VAL HG1 . 7127 1 130 . 1 1 14 14 VAL HG12 H 1 0.94 0.02 . 1 . . . . 14 VAL HG1 . 7127 1 131 . 1 1 14 14 VAL HG13 H 1 0.94 0.02 . 1 . . . . 14 VAL HG1 . 7127 1 132 . 1 1 14 14 VAL HG21 H 1 0.95 0.02 . 1 . . . . 14 VAL HG2 . 7127 1 133 . 1 1 14 14 VAL HG22 H 1 0.95 0.02 . 1 . . . . 14 VAL HG2 . 7127 1 134 . 1 1 14 14 VAL HG23 H 1 0.95 0.02 . 1 . . . . 14 VAL HG2 . 7127 1 135 . 1 1 14 14 VAL CA C 13 62.28 0.10 . 1 . . . . 14 VAL CA . 7127 1 136 . 1 1 14 14 VAL CB C 13 32.83 0.10 . 1 . . . . 14 VAL CB . 7127 1 137 . 1 1 14 14 VAL CG1 C 13 21.31 0.10 . 1 . . . . 14 VAL CG1 . 7127 1 138 . 1 1 14 14 VAL CG2 C 13 20.50 0.10 . 1 . . . . 14 VAL CG2 . 7127 1 139 . 1 1 14 14 VAL N N 15 121.90 0.10 . 1 . . . . 14 VAL N . 7127 1 140 . 1 1 15 15 THR H H 1 8.26 0.02 . 1 . . . . 15 THR H . 7127 1 141 . 1 1 15 15 THR HA H 1 4.39 0.02 . 1 . . . . 15 THR HA . 7127 1 142 . 1 1 15 15 THR HB H 1 4.20 0.02 . 1 . . . . 15 THR HB . 7127 1 143 . 1 1 15 15 THR HG21 H 1 1.20 0.02 . 1 . . . . 15 THR HG2 . 7127 1 144 . 1 1 15 15 THR HG22 H 1 1.20 0.02 . 1 . . . . 15 THR HG2 . 7127 1 145 . 1 1 15 15 THR HG23 H 1 1.20 0.02 . 1 . . . . 15 THR HG2 . 7127 1 146 . 1 1 15 15 THR CA C 13 61.80 0.10 . 1 . . . . 15 THR CA . 7127 1 147 . 1 1 15 15 THR CB C 13 70.08 0.10 . 1 . . . . 15 THR CB . 7127 1 148 . 1 1 15 15 THR CG2 C 13 21.73 0.10 . 1 . . . . 15 THR CG2 . 7127 1 149 . 1 1 15 15 THR N N 15 117.98 0.10 . 1 . . . . 15 THR N . 7127 1 150 . 1 1 16 16 GLU H H 1 8.37 0.02 . 1 . . . . 16 GLU H . 7127 1 151 . 1 1 16 16 GLU HA H 1 4.33 0.02 . 1 . . . . 16 GLU HA . 7127 1 152 . 1 1 16 16 GLU HB2 H 1 1.95 0.02 . 1 . . . . 16 GLU HB2 . 7127 1 153 . 1 1 16 16 GLU HB3 H 1 2.04 0.02 . 1 . . . . 16 GLU HB3 . 7127 1 154 . 1 1 16 16 GLU HG2 H 1 2.24 0.02 . 1 . . . . 16 GLU HG2 . 7127 1 155 . 1 1 16 16 GLU HG3 H 1 2.24 0.02 . 1 . . . . 16 GLU HG3 . 7127 1 156 . 1 1 16 16 GLU CA C 13 56.50 0.10 . 1 . . . . 16 GLU CA . 7127 1 157 . 1 1 16 16 GLU CB C 13 30.39 0.10 . 1 . . . . 16 GLU CB . 7127 1 158 . 1 1 16 16 GLU CG C 13 36.27 0.10 . 1 . . . . 16 GLU CG . 7127 1 159 . 1 1 16 16 GLU N N 15 123.38 0.10 . 1 . . . . 16 GLU N . 7127 1 160 . 1 1 17 17 ILE H H 1 8.23 0.02 . 1 . . . . 17 ILE H . 7127 1 161 . 1 1 17 17 ILE HA H 1 4.28 0.02 . 1 . . . . 17 ILE HA . 7127 1 162 . 1 1 17 17 ILE HB H 1 1.87 0.02 . 1 . . . . 17 ILE HB . 7127 1 163 . 1 1 17 17 ILE HG12 H 1 1.50 0.02 . 1 . . . . 17 ILE HG12 . 7127 1 164 . 1 1 17 17 ILE HG13 H 1 1.19 0.02 . 1 . . . . 17 ILE HG13 . 7127 1 165 . 1 1 17 17 ILE HG21 H 1 0.93 0.02 . 1 . . . . 17 ILE HG2 . 7127 1 166 . 1 1 17 17 ILE HG22 H 1 0.93 0.02 . 1 . . . . 17 ILE HG2 . 7127 1 167 . 1 1 17 17 ILE HG23 H 1 0.93 0.02 . 1 . . . . 17 ILE HG2 . 7127 1 168 . 1 1 17 17 ILE HD11 H 1 0.87 0.02 . 1 . . . . 17 ILE HD1 . 7127 1 169 . 1 1 17 17 ILE HD12 H 1 0.87 0.02 . 1 . . . . 17 ILE HD1 . 7127 1 170 . 1 1 17 17 ILE HD13 H 1 0.87 0.02 . 1 . . . . 17 ILE HD1 . 7127 1 171 . 1 1 17 17 ILE CA C 13 61.20 0.10 . 1 . . . . 17 ILE CA . 7127 1 172 . 1 1 17 17 ILE CB C 13 38.82 0.10 . 1 . . . . 17 ILE CB . 7127 1 173 . 1 1 17 17 ILE CG1 C 13 27.42 0.10 . 1 . . . . 17 ILE CG1 . 7127 1 174 . 1 1 17 17 ILE CG2 C 13 17.69 0.10 . 1 . . . . 17 ILE CG2 . 7127 1 175 . 1 1 17 17 ILE CD1 C 13 12.98 0.10 . 1 . . . . 17 ILE CD1 . 7127 1 176 . 1 1 17 17 ILE N N 15 122.37 0.10 . 1 . . . . 17 ILE N . 7127 1 177 . 1 1 18 18 THR H H 1 8.33 0.02 . 1 . . . . 18 THR H . 7127 1 178 . 1 1 18 18 THR HA H 1 4.43 0.02 . 1 . . . . 18 THR HA . 7127 1 179 . 1 1 18 18 THR HB H 1 4.25 0.02 . 1 . . . . 18 THR HB . 7127 1 180 . 1 1 18 18 THR HG21 H 1 1.21 0.02 . 1 . . . . 18 THR HG2 . 7127 1 181 . 1 1 18 18 THR HG22 H 1 1.21 0.02 . 1 . . . . 18 THR HG2 . 7127 1 182 . 1 1 18 18 THR HG23 H 1 1.21 0.02 . 1 . . . . 18 THR HG2 . 7127 1 183 . 1 1 18 18 THR CA C 13 61.48 0.10 . 1 . . . . 18 THR CA . 7127 1 184 . 1 1 18 18 THR CB C 13 70.13 0.10 . 1 . . . . 18 THR CB . 7127 1 185 . 1 1 18 18 THR CG2 C 13 21.53 0.10 . 1 . . . . 18 THR CG2 . 7127 1 186 . 1 1 18 18 THR N N 15 119.13 0.10 . 1 . . . . 18 THR N . 7127 1 187 . 1 1 19 19 ALA H H 1 8.27 0.02 . 1 . . . . 19 ALA H . 7127 1 188 . 1 1 19 19 ALA HA H 1 4.50 0.02 . 1 . . . . 19 ALA HA . 7127 1 189 . 1 1 19 19 ALA HB1 H 1 1.47 0.02 . 1 . . . . 19 ALA HB . 7127 1 190 . 1 1 19 19 ALA HB2 H 1 1.47 0.02 . 1 . . . . 19 ALA HB . 7127 1 191 . 1 1 19 19 ALA HB3 H 1 1.47 0.02 . 1 . . . . 19 ALA HB . 7127 1 192 . 1 1 19 19 ALA CA C 13 52.51 0.10 . 1 . . . . 19 ALA CA . 7127 1 193 . 1 1 19 19 ALA CB C 13 20.06 0.10 . 1 . . . . 19 ALA CB . 7127 1 194 . 1 1 19 19 ALA N N 15 125.65 0.10 . 1 . . . . 19 ALA N . 7127 1 195 . 1 1 20 20 SER H H 1 8.41 0.02 . 1 . . . . 20 SER H . 7127 1 196 . 1 1 20 20 SER HA H 1 4.63 0.02 . 1 . . . . 20 SER HA . 7127 1 197 . 1 1 20 20 SER HB2 H 1 3.79 0.02 . 1 . . . . 20 SER HB2 . 7127 1 198 . 1 1 20 20 SER HB3 H 1 3.73 0.02 . 1 . . . . 20 SER HB3 . 7127 1 199 . 1 1 20 20 SER CA C 13 58.06 0.10 . 1 . . . . 20 SER CA . 7127 1 200 . 1 1 20 20 SER CB C 13 64.61 0.10 . 1 . . . . 20 SER CB . 7127 1 201 . 1 1 20 20 SER N N 15 115.40 0.10 . 1 . . . . 20 SER N . 7127 1 202 . 1 1 21 21 SER H H 1 8.05 0.02 . 1 . . . . 21 SER H . 7127 1 203 . 1 1 21 21 SER HA H 1 4.83 0.02 . 1 . . . . 21 SER HA . 7127 1 204 . 1 1 21 21 SER HB2 H 1 3.71 0.02 . 1 . . . . 21 SER HB2 . 7127 1 205 . 1 1 21 21 SER HB3 H 1 3.76 0.02 . 1 . . . . 21 SER HB3 . 7127 1 206 . 1 1 21 21 SER CA C 13 57.60 0.10 . 1 . . . . 21 SER CA . 7127 1 207 . 1 1 21 21 SER CB C 13 65.59 0.10 . 1 . . . . 21 SER CB . 7127 1 208 . 1 1 21 21 SER N N 15 115.22 0.10 . 1 . . . . 21 SER N . 7127 1 209 . 1 1 22 22 PHE H H 1 7.79 0.02 . 1 . . . . 22 PHE H . 7127 1 210 . 1 1 22 22 PHE HA H 1 4.79 0.02 . 1 . . . . 22 PHE HA . 7127 1 211 . 1 1 22 22 PHE HB2 H 1 3.11 0.02 . 1 . . . . 22 PHE HB2 . 7127 1 212 . 1 1 22 22 PHE HB3 H 1 2.95 0.02 . 1 . . . . 22 PHE HB3 . 7127 1 213 . 1 1 22 22 PHE HD1 H 1 6.83 0.02 . 1 . . . . 22 PHE HD1 . 7127 1 214 . 1 1 22 22 PHE HD2 H 1 6.83 0.02 . 1 . . . . 22 PHE HD2 . 7127 1 215 . 1 1 22 22 PHE HE1 H 1 6.83 0.02 . 1 . . . . 22 PHE HE1 . 7127 1 216 . 1 1 22 22 PHE HE2 H 1 6.83 0.02 . 1 . . . . 22 PHE HE2 . 7127 1 217 . 1 1 22 22 PHE HZ H 1 6.75 0.02 . 1 . . . . 22 PHE HZ . 7127 1 218 . 1 1 22 22 PHE CA C 13 56.80 0.10 . 1 . . . . 22 PHE CA . 7127 1 219 . 1 1 22 22 PHE CB C 13 40.57 0.10 . 1 . . . . 22 PHE CB . 7127 1 220 . 1 1 22 22 PHE CD1 C 13 131.88 0.10 . 1 . . . . 22 PHE CD1 . 7127 1 221 . 1 1 22 22 PHE CD2 C 13 131.88 0.10 . 1 . . . . 22 PHE CD2 . 7127 1 222 . 1 1 22 22 PHE CE1 C 13 131.29 0.10 . 1 . . . . 22 PHE CE1 . 7127 1 223 . 1 1 22 22 PHE CE2 C 13 131.29 0.10 . 1 . . . . 22 PHE CE2 . 7127 1 224 . 1 1 22 22 PHE CZ C 13 128.60 0.10 . 1 . . . . 22 PHE CZ . 7127 1 225 . 1 1 22 22 PHE N N 15 118.12 0.10 . 1 . . . . 22 PHE N . 7127 1 226 . 1 1 23 23 VAL H H 1 8.24 0.02 . 1 . . . . 23 VAL H . 7127 1 227 . 1 1 23 23 VAL HA H 1 4.92 0.02 . 1 . . . . 23 VAL HA . 7127 1 228 . 1 1 23 23 VAL HB H 1 1.81 0.02 . 1 . . . . 23 VAL HB . 7127 1 229 . 1 1 23 23 VAL HG11 H 1 0.70 0.02 . 1 . . . . 23 VAL HG1 . 7127 1 230 . 1 1 23 23 VAL HG12 H 1 0.70 0.02 . 1 . . . . 23 VAL HG1 . 7127 1 231 . 1 1 23 23 VAL HG13 H 1 0.70 0.02 . 1 . . . . 23 VAL HG1 . 7127 1 232 . 1 1 23 23 VAL HG21 H 1 0.83 0.02 . 1 . . . . 23 VAL HG2 . 7127 1 233 . 1 1 23 23 VAL HG22 H 1 0.83 0.02 . 1 . . . . 23 VAL HG2 . 7127 1 234 . 1 1 23 23 VAL HG23 H 1 0.83 0.02 . 1 . . . . 23 VAL HG2 . 7127 1 235 . 1 1 23 23 VAL CA C 13 60.90 0.10 . 1 . . . . 23 VAL CA . 7127 1 236 . 1 1 23 23 VAL CB C 13 33.88 0.10 . 1 . . . . 23 VAL CB . 7127 1 237 . 1 1 23 23 VAL CG1 C 13 20.84 0.10 . 1 . . . . 23 VAL CG1 . 7127 1 238 . 1 1 23 23 VAL CG2 C 13 21.63 0.10 . 1 . . . . 23 VAL CG2 . 7127 1 239 . 1 1 23 23 VAL N N 15 122.71 0.10 . 1 . . . . 23 VAL N . 7127 1 240 . 1 1 24 24 VAL H H 1 8.39 0.02 . 1 . . . . 24 VAL H . 7127 1 241 . 1 1 24 24 VAL HA H 1 4.48 0.02 . 1 . . . . 24 VAL HA . 7127 1 242 . 1 1 24 24 VAL HB H 1 1.96 0.02 . 1 . . . . 24 VAL HB . 7127 1 243 . 1 1 24 24 VAL HG11 H 1 1.01 0.02 . 1 . . . . 24 VAL HG1 . 7127 1 244 . 1 1 24 24 VAL HG12 H 1 1.01 0.02 . 1 . . . . 24 VAL HG1 . 7127 1 245 . 1 1 24 24 VAL HG13 H 1 1.01 0.02 . 1 . . . . 24 VAL HG1 . 7127 1 246 . 1 1 24 24 VAL HG21 H 1 0.95 0.02 . 1 . . . . 24 VAL HG2 . 7127 1 247 . 1 1 24 24 VAL HG22 H 1 0.95 0.02 . 1 . . . . 24 VAL HG2 . 7127 1 248 . 1 1 24 24 VAL HG23 H 1 0.95 0.02 . 1 . . . . 24 VAL HG2 . 7127 1 249 . 1 1 24 24 VAL CA C 13 60.55 0.10 . 1 . . . . 24 VAL CA . 7127 1 250 . 1 1 24 24 VAL CB C 13 34.76 0.10 . 1 . . . . 24 VAL CB . 7127 1 251 . 1 1 24 24 VAL CG1 C 13 21.47 0.10 . 1 . . . . 24 VAL CG1 . 7127 1 252 . 1 1 24 24 VAL CG2 C 13 21.69 0.10 . 1 . . . . 24 VAL CG2 . 7127 1 253 . 1 1 24 24 VAL N N 15 126.16 0.10 . 1 . . . . 24 VAL N . 7127 1 254 . 1 1 25 25 SER H H 1 8.12 0.02 . 1 . . . . 25 SER H . 7127 1 255 . 1 1 25 25 SER HA H 1 4.83 0.02 . 1 . . . . 25 SER HA . 7127 1 256 . 1 1 25 25 SER HB2 H 1 3.59 0.02 . 1 . . . . 25 SER HB2 . 7127 1 257 . 1 1 25 25 SER HB3 H 1 3.59 0.02 . 1 . . . . 25 SER HB3 . 7127 1 258 . 1 1 25 25 SER CA C 13 57.30 0.10 . 1 . . . . 25 SER CA . 7127 1 259 . 1 1 25 25 SER CB C 13 66.14 0.10 . 1 . . . . 25 SER CB . 7127 1 260 . 1 1 25 25 SER N N 15 119.08 0.10 . 1 . . . . 25 SER N . 7127 1 261 . 1 1 26 26 TRP H H 1 7.75 0.02 . 1 . . . . 26 TRP H . 7127 1 262 . 1 1 26 26 TRP HA H 1 4.95 0.02 . 1 . . . . 26 TRP HA . 7127 1 263 . 1 1 26 26 TRP HB2 H 1 2.97 0.02 . 1 . . . . 26 TRP HB2 . 7127 1 264 . 1 1 26 26 TRP HB3 H 1 3.15 0.02 . 1 . . . . 26 TRP HB3 . 7127 1 265 . 1 1 26 26 TRP HD1 H 1 6.28 0.02 . 1 . . . . 26 TRP HD1 . 7127 1 266 . 1 1 26 26 TRP HE1 H 1 6.53 0.02 . 1 . . . . 26 TRP HE1 . 7127 1 267 . 1 1 26 26 TRP HE3 H 1 6.83 0.02 . 1 . . . . 26 TRP HE3 . 7127 1 268 . 1 1 26 26 TRP HZ2 H 1 6.27 0.02 . 1 . . . . 26 TRP HZ2 . 7127 1 269 . 1 1 26 26 TRP HZ3 H 1 6.57 0.02 . 1 . . . . 26 TRP HZ3 . 7127 1 270 . 1 1 26 26 TRP HH2 H 1 6.37 0.02 . 1 . . . . 26 TRP HH2 . 7127 1 271 . 1 1 26 26 TRP CA C 13 56.27 0.10 . 1 . . . . 26 TRP CA . 7127 1 272 . 1 1 26 26 TRP CB C 13 30.68 0.10 . 1 . . . . 26 TRP CB . 7127 1 273 . 1 1 26 26 TRP CD1 C 13 125.29 0.10 . 1 . . . . 26 TRP CD1 . 7127 1 274 . 1 1 26 26 TRP CE3 C 13 119.87 0.10 . 1 . . . . 26 TRP CE3 . 7127 1 275 . 1 1 26 26 TRP CZ2 C 13 112.92 0.10 . 1 . . . . 26 TRP CZ2 . 7127 1 276 . 1 1 26 26 TRP CZ3 C 13 121.14 0.10 . 1 . . . . 26 TRP CZ3 . 7127 1 277 . 1 1 26 26 TRP CH2 C 13 122.76 0.10 . 1 . . . . 26 TRP CH2 . 7127 1 278 . 1 1 26 26 TRP N N 15 118.69 0.10 . 1 . . . . 26 TRP N . 7127 1 279 . 1 1 26 26 TRP NE1 N 15 126.53 0.10 . 1 . . . . 26 TRP NE1 . 7127 1 280 . 1 1 27 27 VAL H H 1 8.05 0.02 . 1 . . . . 27 VAL H . 7127 1 281 . 1 1 27 27 VAL HA H 1 4.28 0.02 . 1 . . . . 27 VAL HA . 7127 1 282 . 1 1 27 27 VAL HB H 1 2.05 0.02 . 1 . . . . 27 VAL HB . 7127 1 283 . 1 1 27 27 VAL HG11 H 1 0.94 0.02 . 1 . . . . 27 VAL HG1 . 7127 1 284 . 1 1 27 27 VAL HG12 H 1 0.94 0.02 . 1 . . . . 27 VAL HG1 . 7127 1 285 . 1 1 27 27 VAL HG13 H 1 0.94 0.02 . 1 . . . . 27 VAL HG1 . 7127 1 286 . 1 1 27 27 VAL HG21 H 1 0.94 0.02 . 1 . . . . 27 VAL HG2 . 7127 1 287 . 1 1 27 27 VAL HG22 H 1 0.94 0.02 . 1 . . . . 27 VAL HG2 . 7127 1 288 . 1 1 27 27 VAL HG23 H 1 0.94 0.02 . 1 . . . . 27 VAL HG2 . 7127 1 289 . 1 1 27 27 VAL CA C 13 61.20 0.10 . 1 . . . . 27 VAL CA . 7127 1 290 . 1 1 27 27 VAL CB C 13 34.03 0.10 . 1 . . . . 27 VAL CB . 7127 1 291 . 1 1 27 27 VAL CG1 C 13 20.60 0.10 . 1 . . . . 27 VAL CG1 . 7127 1 292 . 1 1 27 27 VAL CG2 C 13 20.60 0.10 . 1 . . . . 27 VAL CG2 . 7127 1 293 . 1 1 27 27 VAL N N 15 116.77 0.10 . 1 . . . . 27 VAL N . 7127 1 294 . 1 1 28 28 SER H H 1 8.63 0.02 . 1 . . . . 28 SER H . 7127 1 295 . 1 1 28 28 SER HA H 1 4.65 0.02 . 1 . . . . 28 SER HA . 7127 1 296 . 1 1 28 28 SER HB2 H 1 4.09 0.02 . 1 . . . . 28 SER HB2 . 7127 1 297 . 1 1 28 28 SER HB3 H 1 4.09 0.02 . 1 . . . . 28 SER HB3 . 7127 1 298 . 1 1 28 28 SER CA C 13 58.11 0.10 . 1 . . . . 28 SER CA . 7127 1 299 . 1 1 28 28 SER CB C 13 64.35 0.10 . 1 . . . . 28 SER CB . 7127 1 300 . 1 1 28 28 SER N N 15 119.26 0.10 . 1 . . . . 28 SER N . 7127 1 301 . 1 1 29 29 ALA H H 1 8.96 0.02 . 1 . . . . 29 ALA H . 7127 1 302 . 1 1 29 29 ALA HA H 1 4.65 0.02 . 1 . . . . 29 ALA HA . 7127 1 303 . 1 1 29 29 ALA HB1 H 1 1.54 0.02 . 1 . . . . 29 ALA HB . 7127 1 304 . 1 1 29 29 ALA HB2 H 1 1.54 0.02 . 1 . . . . 29 ALA HB . 7127 1 305 . 1 1 29 29 ALA HB3 H 1 1.54 0.02 . 1 . . . . 29 ALA HB . 7127 1 306 . 1 1 29 29 ALA CA C 13 52.17 0.10 . 1 . . . . 29 ALA CA . 7127 1 307 . 1 1 29 29 ALA CB C 13 19.94 0.10 . 1 . . . . 29 ALA CB . 7127 1 308 . 1 1 29 29 ALA N N 15 128.33 0.10 . 1 . . . . 29 ALA N . 7127 1 309 . 1 1 30 30 SER H H 1 8.03 0.02 . 1 . . . . 30 SER H . 7127 1 310 . 1 1 30 30 SER HA H 1 4.63 0.02 . 1 . . . . 30 SER HA . 7127 1 311 . 1 1 30 30 SER HB2 H 1 3.74 0.02 . 1 . . . . 30 SER HB2 . 7127 1 312 . 1 1 30 30 SER HB3 H 1 3.96 0.02 . 1 . . . . 30 SER HB3 . 7127 1 313 . 1 1 30 30 SER CA C 13 57.78 0.10 . 1 . . . . 30 SER CA . 7127 1 314 . 1 1 30 30 SER CB C 13 64.23 0.10 . 1 . . . . 30 SER CB . 7127 1 315 . 1 1 30 30 SER N N 15 113.58 0.10 . 1 . . . . 30 SER N . 7127 1 316 . 1 1 31 31 ASP H H 1 8.53 0.02 . 1 . . . . 31 ASP H . 7127 1 317 . 1 1 31 31 ASP HA H 1 4.76 0.02 . 1 . . . . 31 ASP HA . 7127 1 318 . 1 1 31 31 ASP HB2 H 1 2.78 0.02 . 1 . . . . 31 ASP HB2 . 7127 1 319 . 1 1 31 31 ASP HB3 H 1 2.78 0.02 . 1 . . . . 31 ASP HB3 . 7127 1 320 . 1 1 31 31 ASP CA C 13 54.86 0.10 . 1 . . . . 31 ASP CA . 7127 1 321 . 1 1 31 31 ASP CB C 13 41.17 0.10 . 1 . . . . 31 ASP CB . 7127 1 322 . 1 1 31 31 ASP N N 15 122.43 0.10 . 1 . . . . 31 ASP N . 7127 1 323 . 1 1 32 32 THR H H 1 8.11 0.02 . 1 . . . . 32 THR H . 7127 1 324 . 1 1 32 32 THR HA H 1 4.48 0.02 . 1 . . . . 32 THR HA . 7127 1 325 . 1 1 32 32 THR HB H 1 4.41 0.02 . 1 . . . . 32 THR HB . 7127 1 326 . 1 1 32 32 THR HG21 H 1 1.18 0.02 . 1 . . . . 32 THR HG2 . 7127 1 327 . 1 1 32 32 THR HG22 H 1 1.18 0.02 . 1 . . . . 32 THR HG2 . 7127 1 328 . 1 1 32 32 THR HG23 H 1 1.18 0.02 . 1 . . . . 32 THR HG2 . 7127 1 329 . 1 1 32 32 THR CA C 13 61.01 0.10 . 1 . . . . 32 THR CA . 7127 1 330 . 1 1 32 32 THR CB C 13 69.10 0.10 . 1 . . . . 32 THR CB . 7127 1 331 . 1 1 32 32 THR CG2 C 13 21.63 0.10 . 1 . . . . 32 THR CG2 . 7127 1 332 . 1 1 32 32 THR N N 15 111.34 0.10 . 1 . . . . 32 THR N . 7127 1 333 . 1 1 33 33 VAL H H 1 7.57 0.02 . 1 . . . . 33 VAL H . 7127 1 334 . 1 1 33 33 VAL HA H 1 4.18 0.02 . 1 . . . . 33 VAL HA . 7127 1 335 . 1 1 33 33 VAL HB H 1 2.05 0.02 . 1 . . . . 33 VAL HB . 7127 1 336 . 1 1 33 33 VAL HG11 H 1 0.68 0.02 . 1 . . . . 33 VAL HG1 . 7127 1 337 . 1 1 33 33 VAL HG12 H 1 0.68 0.02 . 1 . . . . 33 VAL HG1 . 7127 1 338 . 1 1 33 33 VAL HG13 H 1 0.68 0.02 . 1 . . . . 33 VAL HG1 . 7127 1 339 . 1 1 33 33 VAL HG21 H 1 0.74 0.02 . 1 . . . . 33 VAL HG2 . 7127 1 340 . 1 1 33 33 VAL HG22 H 1 0.74 0.02 . 1 . . . . 33 VAL HG2 . 7127 1 341 . 1 1 33 33 VAL HG23 H 1 0.74 0.02 . 1 . . . . 33 VAL HG2 . 7127 1 342 . 1 1 33 33 VAL CA C 13 61.81 0.10 . 1 . . . . 33 VAL CA . 7127 1 343 . 1 1 33 33 VAL CB C 13 33.73 0.10 . 1 . . . . 33 VAL CB . 7127 1 344 . 1 1 33 33 VAL CG1 C 13 21.76 0.10 . 1 . . . . 33 VAL CG1 . 7127 1 345 . 1 1 33 33 VAL CG2 C 13 21.26 0.10 . 1 . . . . 33 VAL CG2 . 7127 1 346 . 1 1 33 33 VAL N N 15 120.48 0.10 . 1 . . . . 33 VAL N . 7127 1 347 . 1 1 34 34 SER H H 1 9.08 0.02 . 1 . . . . 34 SER H . 7127 1 348 . 1 1 34 34 SER HA H 1 4.62 0.02 . 1 . . . . 34 SER HA . 7127 1 349 . 1 1 34 34 SER HB2 H 1 3.64 0.02 . 1 . . . . 34 SER HB2 . 7127 1 350 . 1 1 34 34 SER HB3 H 1 3.64 0.02 . 1 . . . . 34 SER HB3 . 7127 1 351 . 1 1 34 34 SER CA C 13 59.03 0.10 . 1 . . . . 34 SER CA . 7127 1 352 . 1 1 34 34 SER CB C 13 64.67 0.10 . 1 . . . . 34 SER CB . 7127 1 353 . 1 1 34 34 SER N N 15 119.02 0.10 . 1 . . . . 34 SER N . 7127 1 354 . 1 1 35 35 GLY H H 1 7.37 0.02 . 1 . . . . 35 GLY H . 7127 1 355 . 1 1 35 35 GLY HA2 H 1 3.56 0.02 . 1 . . . . 35 GLY HA2 . 7127 1 356 . 1 1 35 35 GLY HA3 H 1 4.22 0.02 . 1 . . . . 35 GLY HA3 . 7127 1 357 . 1 1 35 35 GLY CA C 13 44.59 0.10 . 1 . . . . 35 GLY CA . 7127 1 358 . 1 1 35 35 GLY N N 15 107.92 0.10 . 1 . . . . 35 GLY N . 7127 1 359 . 1 1 36 36 PHE H H 1 8.36 0.02 . 1 . . . . 36 PHE H . 7127 1 360 . 1 1 36 36 PHE HA H 1 5.48 0.02 . 1 . . . . 36 PHE HA . 7127 1 361 . 1 1 36 36 PHE HB2 H 1 2.51 0.02 . 1 . . . . 36 PHE HB2 . 7127 1 362 . 1 1 36 36 PHE HB3 H 1 2.60 0.02 . 1 . . . . 36 PHE HB3 . 7127 1 363 . 1 1 36 36 PHE HD1 H 1 7.14 0.02 . 1 . . . . 36 PHE HD1 . 7127 1 364 . 1 1 36 36 PHE HD2 H 1 7.14 0.02 . 1 . . . . 36 PHE HD2 . 7127 1 365 . 1 1 36 36 PHE HE1 H 1 7.57 0.02 . 1 . . . . 36 PHE HE1 . 7127 1 366 . 1 1 36 36 PHE HE2 H 1 7.57 0.02 . 1 . . . . 36 PHE HE2 . 7127 1 367 . 1 1 36 36 PHE HZ H 1 7.59 0.02 . 1 . . . . 36 PHE HZ . 7127 1 368 . 1 1 36 36 PHE CA C 13 56.73 0.10 . 1 . . . . 36 PHE CA . 7127 1 369 . 1 1 36 36 PHE CB C 13 43.83 0.10 . 1 . . . . 36 PHE CB . 7127 1 370 . 1 1 36 36 PHE CD1 C 13 132.44 0.10 . 1 . . . . 36 PHE CD1 . 7127 1 371 . 1 1 36 36 PHE CD2 C 13 132.44 0.10 . 1 . . . . 36 PHE CD2 . 7127 1 372 . 1 1 36 36 PHE CE1 C 13 132.17 0.10 . 1 . . . . 36 PHE CE1 . 7127 1 373 . 1 1 36 36 PHE CE2 C 13 132.17 0.10 . 1 . . . . 36 PHE CE2 . 7127 1 374 . 1 1 36 36 PHE CZ C 13 129.56 0.10 . 1 . . . . 36 PHE CZ . 7127 1 375 . 1 1 36 36 PHE N N 15 114.26 0.10 . 1 . . . . 36 PHE N . 7127 1 376 . 1 1 37 37 ARG H H 1 9.27 0.02 . 1 . . . . 37 ARG H . 7127 1 377 . 1 1 37 37 ARG HA H 1 5.48 0.02 . 1 . . . . 37 ARG HA . 7127 1 378 . 1 1 37 37 ARG HB2 H 1 1.85 0.02 . 1 . . . . 37 ARG HB2 . 7127 1 379 . 1 1 37 37 ARG HB3 H 1 1.67 0.02 . 1 . . . . 37 ARG HB3 . 7127 1 380 . 1 1 37 37 ARG HG2 H 1 1.48 0.02 . 1 . . . . 37 ARG HG2 . 7127 1 381 . 1 1 37 37 ARG HG3 H 1 1.75 0.02 . 1 . . . . 37 ARG HG3 . 7127 1 382 . 1 1 37 37 ARG HD2 H 1 2.88 0.02 . 1 . . . . 37 ARG HD2 . 7127 1 383 . 1 1 37 37 ARG HD3 H 1 2.88 0.02 . 1 . . . . 37 ARG HD3 . 7127 1 384 . 1 1 37 37 ARG HE H 1 8.18 0.02 . 1 . . . . 37 ARG HE . 7127 1 385 . 1 1 37 37 ARG CA C 13 54.97 0.10 . 1 . . . . 37 ARG CA . 7127 1 386 . 1 1 37 37 ARG CB C 13 34.20 0.10 . 1 . . . . 37 ARG CB . 7127 1 387 . 1 1 37 37 ARG CG C 13 27.97 0.10 . 1 . . . . 37 ARG CG . 7127 1 388 . 1 1 37 37 ARG CD C 13 43.30 0.10 . 1 . . . . 37 ARG CD . 7127 1 389 . 1 1 37 37 ARG N N 15 123.70 0.10 . 1 . . . . 37 ARG N . 7127 1 390 . 1 1 37 37 ARG NE N 15 85.29 0.10 . 1 . . . . 37 ARG NE . 7127 1 391 . 1 1 38 38 VAL H H 1 9.50 0.02 . 1 . . . . 38 VAL H . 7127 1 392 . 1 1 38 38 VAL HA H 1 4.81 0.02 . 1 . . . . 38 VAL HA . 7127 1 393 . 1 1 38 38 VAL HB H 1 2.14 0.02 . 1 . . . . 38 VAL HB . 7127 1 394 . 1 1 38 38 VAL HG11 H 1 0.90 0.02 . 1 . . . . 38 VAL HG1 . 7127 1 395 . 1 1 38 38 VAL HG12 H 1 0.90 0.02 . 1 . . . . 38 VAL HG1 . 7127 1 396 . 1 1 38 38 VAL HG13 H 1 0.90 0.02 . 1 . . . . 38 VAL HG1 . 7127 1 397 . 1 1 38 38 VAL HG21 H 1 0.81 0.02 . 1 . . . . 38 VAL HG2 . 7127 1 398 . 1 1 38 38 VAL HG22 H 1 0.81 0.02 . 1 . . . . 38 VAL HG2 . 7127 1 399 . 1 1 38 38 VAL HG23 H 1 0.81 0.02 . 1 . . . . 38 VAL HG2 . 7127 1 400 . 1 1 38 38 VAL CA C 13 61.41 0.10 . 1 . . . . 38 VAL CA . 7127 1 401 . 1 1 38 38 VAL CB C 13 33.50 0.10 . 1 . . . . 38 VAL CB . 7127 1 402 . 1 1 38 38 VAL CG1 C 13 21.39 0.10 . 1 . . . . 38 VAL CG1 . 7127 1 403 . 1 1 38 38 VAL CG2 C 13 22.25 0.10 . 1 . . . . 38 VAL CG2 . 7127 1 404 . 1 1 38 38 VAL N N 15 128.45 0.10 . 1 . . . . 38 VAL N . 7127 1 405 . 1 1 39 39 GLU H H 1 9.59 0.02 . 1 . . . . 39 GLU H . 7127 1 406 . 1 1 39 39 GLU HA H 1 5.43 0.02 . 1 . . . . 39 GLU HA . 7127 1 407 . 1 1 39 39 GLU HB2 H 1 2.15 0.02 . 1 . . . . 39 GLU HB2 . 7127 1 408 . 1 1 39 39 GLU HB3 H 1 2.43 0.02 . 1 . . . . 39 GLU HB3 . 7127 1 409 . 1 1 39 39 GLU HG2 H 1 2.08 0.02 . 1 . . . . 39 GLU HG2 . 7127 1 410 . 1 1 39 39 GLU HG3 H 1 2.19 0.02 . 1 . . . . 39 GLU HG3 . 7127 1 411 . 1 1 39 39 GLU CA C 13 53.88 0.10 . 1 . . . . 39 GLU CA . 7127 1 412 . 1 1 39 39 GLU CB C 13 34.74 0.10 . 1 . . . . 39 GLU CB . 7127 1 413 . 1 1 39 39 GLU CG C 13 36.90 0.10 . 1 . . . . 39 GLU CG . 7127 1 414 . 1 1 39 39 GLU N N 15 129.31 0.10 . 1 . . . . 39 GLU N . 7127 1 415 . 1 1 40 40 TYR H H 1 8.92 0.02 . 1 . . . . 40 TYR H . 7127 1 416 . 1 1 40 40 TYR HA H 1 6.16 0.02 . 1 . . . . 40 TYR HA . 7127 1 417 . 1 1 40 40 TYR HB2 H 1 2.77 0.02 . 1 . . . . 40 TYR HB2 . 7127 1 418 . 1 1 40 40 TYR HB3 H 1 2.96 0.02 . 1 . . . . 40 TYR HB3 . 7127 1 419 . 1 1 40 40 TYR HD1 H 1 6.70 0.02 . 1 . . . . 40 TYR HD1 . 7127 1 420 . 1 1 40 40 TYR HD2 H 1 6.70 0.02 . 1 . . . . 40 TYR HD2 . 7127 1 421 . 1 1 40 40 TYR HE1 H 1 6.45 0.02 . 1 . . . . 40 TYR HE1 . 7127 1 422 . 1 1 40 40 TYR HE2 H 1 6.45 0.02 . 1 . . . . 40 TYR HE2 . 7127 1 423 . 1 1 40 40 TYR CA C 13 55.15 0.10 . 1 . . . . 40 TYR CA . 7127 1 424 . 1 1 40 40 TYR CB C 13 41.69 0.10 . 1 . . . . 40 TYR CB . 7127 1 425 . 1 1 40 40 TYR CD1 C 13 133.34 0.10 . 1 . . . . 40 TYR CD1 . 7127 1 426 . 1 1 40 40 TYR CD2 C 13 133.34 0.10 . 1 . . . . 40 TYR CD2 . 7127 1 427 . 1 1 40 40 TYR CE1 C 13 118.15 0.10 . 1 . . . . 40 TYR CE1 . 7127 1 428 . 1 1 40 40 TYR CE2 C 13 118.15 0.10 . 1 . . . . 40 TYR CE2 . 7127 1 429 . 1 1 40 40 TYR N N 15 120.90 0.10 . 1 . . . . 40 TYR N . 7127 1 430 . 1 1 41 41 GLU H H 1 8.82 0.02 . 1 . . . . 41 GLU H . 7127 1 431 . 1 1 41 41 GLU HA H 1 4.94 0.02 . 1 . . . . 41 GLU HA . 7127 1 432 . 1 1 41 41 GLU HB2 H 1 2.07 0.02 . 1 . . . . 41 GLU HB2 . 7127 1 433 . 1 1 41 41 GLU HB3 H 1 1.97 0.02 . 1 . . . . 41 GLU HB3 . 7127 1 434 . 1 1 41 41 GLU HG2 H 1 2.04 0.02 . 1 . . . . 41 GLU HG2 . 7127 1 435 . 1 1 41 41 GLU HG3 H 1 2.22 0.02 . 1 . . . . 41 GLU HG3 . 7127 1 436 . 1 1 41 41 GLU CA C 13 54.26 0.10 . 1 . . . . 41 GLU CA . 7127 1 437 . 1 1 41 41 GLU CB C 13 33.35 0.10 . 1 . . . . 41 GLU CB . 7127 1 438 . 1 1 41 41 GLU CG C 13 34.69 0.10 . 1 . . . . 41 GLU CG . 7127 1 439 . 1 1 41 41 GLU N N 15 118.24 0.10 . 1 . . . . 41 GLU N . 7127 1 440 . 1 1 42 42 LEU H H 1 9.11 0.02 . 1 . . . . 42 LEU H . 7127 1 441 . 1 1 42 42 LEU HA H 1 4.02 0.02 . 1 . . . . 42 LEU HA . 7127 1 442 . 1 1 42 42 LEU HB2 H 1 1.59 0.02 . 1 . . . . 42 LEU HB2 . 7127 1 443 . 1 1 42 42 LEU HB3 H 1 1.39 0.02 . 1 . . . . 42 LEU HB3 . 7127 1 444 . 1 1 42 42 LEU HG H 1 1.44 0.02 . 1 . . . . 42 LEU HG . 7127 1 445 . 1 1 42 42 LEU HD11 H 1 0.77 0.02 . 1 . . . . 42 LEU HD1 . 7127 1 446 . 1 1 42 42 LEU HD12 H 1 0.77 0.02 . 1 . . . . 42 LEU HD1 . 7127 1 447 . 1 1 42 42 LEU HD13 H 1 0.77 0.02 . 1 . . . . 42 LEU HD1 . 7127 1 448 . 1 1 42 42 LEU HD21 H 1 0.38 0.02 . 1 . . . . 42 LEU HD2 . 7127 1 449 . 1 1 42 42 LEU HD22 H 1 0.38 0.02 . 1 . . . . 42 LEU HD2 . 7127 1 450 . 1 1 42 42 LEU HD23 H 1 0.38 0.02 . 1 . . . . 42 LEU HD2 . 7127 1 451 . 1 1 42 42 LEU CA C 13 55.20 0.10 . 1 . . . . 42 LEU CA . 7127 1 452 . 1 1 42 42 LEU CB C 13 42.86 0.10 . 1 . . . . 42 LEU CB . 7127 1 453 . 1 1 42 42 LEU CG C 13 27.29 0.10 . 1 . . . . 42 LEU CG . 7127 1 454 . 1 1 42 42 LEU CD1 C 13 25.33 0.10 . 1 . . . . 42 LEU CD1 . 7127 1 455 . 1 1 42 42 LEU CD2 C 13 24.36 0.10 . 1 . . . . 42 LEU CD2 . 7127 1 456 . 1 1 42 42 LEU N N 15 125.23 0.10 . 1 . . . . 42 LEU N . 7127 1 457 . 1 1 43 43 SER H H 1 8.39 0.02 . 1 . . . . 43 SER H . 7127 1 458 . 1 1 43 43 SER HA H 1 4.14 0.02 . 1 . . . . 43 SER HA . 7127 1 459 . 1 1 43 43 SER HB2 H 1 3.72 0.02 . 1 . . . . 43 SER HB2 . 7127 1 460 . 1 1 43 43 SER HB3 H 1 3.72 0.02 . 1 . . . . 43 SER HB3 . 7127 1 461 . 1 1 43 43 SER CA C 13 59.91 0.10 . 1 . . . . 43 SER CA . 7127 1 462 . 1 1 43 43 SER CB C 13 63.26 0.10 . 1 . . . . 43 SER CB . 7127 1 463 . 1 1 43 43 SER N N 15 117.40 0.10 . 1 . . . . 43 SER N . 7127 1 464 . 1 1 44 44 GLU H H 1 8.22 0.02 . 1 . . . . 44 GLU H . 7127 1 465 . 1 1 44 44 GLU HA H 1 4.20 0.02 . 1 . . . . 44 GLU HA . 7127 1 466 . 1 1 44 44 GLU HB2 H 1 2.00 0.02 . 1 . . . . 44 GLU HB2 . 7127 1 467 . 1 1 44 44 GLU HB3 H 1 2.14 0.02 . 1 . . . . 44 GLU HB3 . 7127 1 468 . 1 1 44 44 GLU HG2 H 1 2.24 0.02 . 1 . . . . 44 GLU HG2 . 7127 1 469 . 1 1 44 44 GLU HG3 H 1 2.24 0.02 . 1 . . . . 44 GLU HG3 . 7127 1 470 . 1 1 44 44 GLU CA C 13 57.12 0.10 . 1 . . . . 44 GLU CA . 7127 1 471 . 1 1 44 44 GLU CB C 13 29.96 0.10 . 1 . . . . 44 GLU CB . 7127 1 472 . 1 1 44 44 GLU CG C 13 36.68 0.10 . 1 . . . . 44 GLU CG . 7127 1 473 . 1 1 44 44 GLU N N 15 119.25 0.10 . 1 . . . . 44 GLU N . 7127 1 474 . 1 1 45 45 GLU H H 1 8.01 0.02 . 1 . . . . 45 GLU H . 7127 1 475 . 1 1 45 45 GLU HA H 1 4.28 0.02 . 1 . . . . 45 GLU HA . 7127 1 476 . 1 1 45 45 GLU HB2 H 1 1.90 0.02 . 1 . . . . 45 GLU HB2 . 7127 1 477 . 1 1 45 45 GLU HB3 H 1 2.07 0.02 . 1 . . . . 45 GLU HB3 . 7127 1 478 . 1 1 45 45 GLU HG2 H 1 2.24 0.02 . 1 . . . . 45 GLU HG2 . 7127 1 479 . 1 1 45 45 GLU HG3 H 1 2.24 0.02 . 1 . . . . 45 GLU HG3 . 7127 1 480 . 1 1 45 45 GLU CA C 13 56.88 0.10 . 1 . . . . 45 GLU CA . 7127 1 481 . 1 1 45 45 GLU CB C 13 30.32 0.10 . 1 . . . . 45 GLU CB . 7127 1 482 . 1 1 45 45 GLU CG C 13 36.27 0.10 . 1 . . . . 45 GLU CG . 7127 1 483 . 1 1 45 45 GLU N N 15 118.89 0.10 . 1 . . . . 45 GLU N . 7127 1 484 . 1 1 46 46 GLY H H 1 8.48 0.02 . 1 . . . . 46 GLY H . 7127 1 485 . 1 1 46 46 GLY HA2 H 1 3.97 0.02 . 1 . . . . 46 GLY HA2 . 7127 1 486 . 1 1 46 46 GLY HA3 H 1 3.97 0.02 . 1 . . . . 46 GLY HA3 . 7127 1 487 . 1 1 46 46 GLY CA C 13 45.91 0.10 . 1 . . . . 46 GLY CA . 7127 1 488 . 1 1 46 46 GLY N N 15 109.10 0.10 . 1 . . . . 46 GLY N . 7127 1 489 . 1 1 47 47 ASP H H 1 8.18 0.02 . 1 . . . . 47 ASP H . 7127 1 490 . 1 1 47 47 ASP HA H 1 4.76 0.02 . 1 . . . . 47 ASP HA . 7127 1 491 . 1 1 47 47 ASP HB2 H 1 2.64 0.02 . 1 . . . . 47 ASP HB2 . 7127 1 492 . 1 1 47 47 ASP HB3 H 1 2.78 0.02 . 1 . . . . 47 ASP HB3 . 7127 1 493 . 1 1 47 47 ASP CA C 13 53.77 0.10 . 1 . . . . 47 ASP CA . 7127 1 494 . 1 1 47 47 ASP CB C 13 42.35 0.10 . 1 . . . . 47 ASP CB . 7127 1 495 . 1 1 47 47 ASP N N 15 120.75 0.10 . 1 . . . . 47 ASP N . 7127 1 496 . 1 1 48 48 GLU H H 1 8.37 0.02 . 1 . . . . 48 GLU H . 7127 1 497 . 1 1 48 48 GLU HA H 1 4.67 0.02 . 1 . . . . 48 GLU HA . 7127 1 498 . 1 1 48 48 GLU HB2 H 1 1.93 0.02 . 1 . . . . 48 GLU HB2 . 7127 1 499 . 1 1 48 48 GLU HB3 H 1 2.07 0.02 . 1 . . . . 48 GLU HB3 . 7127 1 500 . 1 1 48 48 GLU HG2 H 1 2.34 0.02 . 1 . . . . 48 GLU HG2 . 7127 1 501 . 1 1 48 48 GLU HG3 H 1 2.34 0.02 . 1 . . . . 48 GLU HG3 . 7127 1 502 . 1 1 48 48 GLU CA C 13 54.28 0.10 . 1 . . . . 48 GLU CA . 7127 1 503 . 1 1 48 48 GLU CB C 13 30.15 0.10 . 1 . . . . 48 GLU CB . 7127 1 504 . 1 1 48 48 GLU CG C 13 35.93 0.10 . 1 . . . . 48 GLU CG . 7127 1 505 . 1 1 48 48 GLU N N 15 121.18 0.10 . 1 . . . . 48 GLU N . 7127 1 506 . 1 1 49 49 PRO HA H 1 4.40 0.02 . 1 . . . . 49 PRO HA . 7127 1 507 . 1 1 49 49 PRO HB2 H 1 1.63 0.02 . 1 . . . . 49 PRO HB2 . 7127 1 508 . 1 1 49 49 PRO HB3 H 1 2.10 0.02 . 1 . . . . 49 PRO HB3 . 7127 1 509 . 1 1 49 49 PRO HG2 H 1 2.04 0.02 . 1 . . . . 49 PRO HG2 . 7127 1 510 . 1 1 49 49 PRO HG3 H 1 1.96 0.02 . 1 . . . . 49 PRO HG3 . 7127 1 511 . 1 1 49 49 PRO HD2 H 1 3.69 0.02 . 1 . . . . 49 PRO HD2 . 7127 1 512 . 1 1 49 49 PRO HD3 H 1 3.86 0.02 . 1 . . . . 49 PRO HD3 . 7127 1 513 . 1 1 49 49 PRO CA C 13 62.99 0.10 . 1 . . . . 49 PRO CA . 7127 1 514 . 1 1 49 49 PRO CB C 13 32.42 0.10 . 1 . . . . 49 PRO CB . 7127 1 515 . 1 1 49 49 PRO CG C 13 27.46 0.10 . 1 . . . . 49 PRO CG . 7127 1 516 . 1 1 49 49 PRO CD C 13 50.86 0.10 . 1 . . . . 49 PRO CD . 7127 1 517 . 1 1 50 50 GLN H H 1 7.95 0.02 . 1 . . . . 50 GLN H . 7127 1 518 . 1 1 50 50 GLN HA H 1 4.33 0.02 . 1 . . . . 50 GLN HA . 7127 1 519 . 1 1 50 50 GLN HB2 H 1 0.61 0.02 . 1 . . . . 50 GLN HB2 . 7127 1 520 . 1 1 50 50 GLN HB3 H 1 1.71 0.02 . 1 . . . . 50 GLN HB3 . 7127 1 521 . 1 1 50 50 GLN HG2 H 1 2.19 0.02 . 1 . . . . 50 GLN HG2 . 7127 1 522 . 1 1 50 50 GLN HG3 H 1 2.19 0.02 . 1 . . . . 50 GLN HG3 . 7127 1 523 . 1 1 50 50 GLN HE21 H 1 6.87 0.02 . 1 . . . . 50 GLN HE21 . 7127 1 524 . 1 1 50 50 GLN HE22 H 1 7.50 0.02 . 1 . . . . 50 GLN HE22 . 7127 1 525 . 1 1 50 50 GLN CA C 13 54.14 0.10 . 1 . . . . 50 GLN CA . 7127 1 526 . 1 1 50 50 GLN CB C 13 31.67 0.10 . 1 . . . . 50 GLN CB . 7127 1 527 . 1 1 50 50 GLN CG C 13 34.88 0.10 . 1 . . . . 50 GLN CG . 7127 1 528 . 1 1 50 50 GLN N N 15 119.14 0.10 . 1 . . . . 50 GLN N . 7127 1 529 . 1 1 50 50 GLN NE2 N 15 112.90 0.10 . 1 . . . . 50 GLN NE2 . 7127 1 530 . 1 1 51 51 TYR H H 1 8.07 0.02 . 1 . . . . 51 TYR H . 7127 1 531 . 1 1 51 51 TYR HA H 1 6.05 0.02 . 1 . . . . 51 TYR HA . 7127 1 532 . 1 1 51 51 TYR HB2 H 1 2.74 0.02 . 1 . . . . 51 TYR HB2 . 7127 1 533 . 1 1 51 51 TYR HB3 H 1 2.82 0.02 . 1 . . . . 51 TYR HB3 . 7127 1 534 . 1 1 51 51 TYR HD1 H 1 6.90 0.02 . 1 . . . . 51 TYR HD1 . 7127 1 535 . 1 1 51 51 TYR HD2 H 1 6.90 0.02 . 1 . . . . 51 TYR HD2 . 7127 1 536 . 1 1 51 51 TYR HE1 H 1 6.76 0.02 . 1 . . . . 51 TYR HE1 . 7127 1 537 . 1 1 51 51 TYR HE2 H 1 6.76 0.02 . 1 . . . . 51 TYR HE2 . 7127 1 538 . 1 1 51 51 TYR CA C 13 56.51 0.10 . 1 . . . . 51 TYR CA . 7127 1 539 . 1 1 51 51 TYR CB C 13 42.97 0.10 . 1 . . . . 51 TYR CB . 7127 1 540 . 1 1 51 51 TYR CD1 C 13 132.99 0.10 . 1 . . . . 51 TYR CD1 . 7127 1 541 . 1 1 51 51 TYR CD2 C 13 132.99 0.10 . 1 . . . . 51 TYR CD2 . 7127 1 542 . 1 1 51 51 TYR CE1 C 13 118.36 0.10 . 1 . . . . 51 TYR CE1 . 7127 1 543 . 1 1 51 51 TYR CE2 C 13 118.36 0.10 . 1 . . . . 51 TYR CE2 . 7127 1 544 . 1 1 51 51 TYR N N 15 114.53 0.10 . 1 . . . . 51 TYR N . 7127 1 545 . 1 1 52 52 LEU H H 1 9.28 0.02 . 1 . . . . 52 LEU H . 7127 1 546 . 1 1 52 52 LEU HA H 1 4.80 0.02 . 1 . . . . 52 LEU HA . 7127 1 547 . 1 1 52 52 LEU HB2 H 1 1.69 0.02 . 1 . . . . 52 LEU HB2 . 7127 1 548 . 1 1 52 52 LEU HB3 H 1 1.65 0.02 . 1 . . . . 52 LEU HB3 . 7127 1 549 . 1 1 52 52 LEU HG H 1 1.81 0.02 . 1 . . . . 52 LEU HG . 7127 1 550 . 1 1 52 52 LEU HD11 H 1 0.97 0.02 . 1 . . . . 52 LEU HD1 . 7127 1 551 . 1 1 52 52 LEU HD12 H 1 0.97 0.02 . 1 . . . . 52 LEU HD1 . 7127 1 552 . 1 1 52 52 LEU HD13 H 1 0.97 0.02 . 1 . . . . 52 LEU HD1 . 7127 1 553 . 1 1 52 52 LEU HD21 H 1 1.10 0.02 . 1 . . . . 52 LEU HD2 . 7127 1 554 . 1 1 52 52 LEU HD22 H 1 1.10 0.02 . 1 . . . . 52 LEU HD2 . 7127 1 555 . 1 1 52 52 LEU HD23 H 1 1.10 0.02 . 1 . . . . 52 LEU HD2 . 7127 1 556 . 1 1 52 52 LEU CA C 13 54.50 0.10 . 1 . . . . 52 LEU CA . 7127 1 557 . 1 1 52 52 LEU CB C 13 46.06 0.10 . 1 . . . . 52 LEU CB . 7127 1 558 . 1 1 52 52 LEU CG C 13 27.24 0.10 . 1 . . . . 52 LEU CG . 7127 1 559 . 1 1 52 52 LEU CD1 C 13 26.65 0.10 . 1 . . . . 52 LEU CD1 . 7127 1 560 . 1 1 52 52 LEU CD2 C 13 24.30 0.10 . 1 . . . . 52 LEU CD2 . 7127 1 561 . 1 1 52 52 LEU N N 15 122.08 0.10 . 1 . . . . 52 LEU N . 7127 1 562 . 1 1 53 53 ASP H H 1 8.68 0.02 . 1 . . . . 53 ASP H . 7127 1 563 . 1 1 53 53 ASP HA H 1 5.54 0.02 . 1 . . . . 53 ASP HA . 7127 1 564 . 1 1 53 53 ASP HB2 H 1 2.62 0.02 . 1 . . . . 53 ASP HB2 . 7127 1 565 . 1 1 53 53 ASP HB3 H 1 2.71 0.02 . 1 . . . . 53 ASP HB3 . 7127 1 566 . 1 1 53 53 ASP CA C 13 54.37 0.10 . 1 . . . . 53 ASP CA . 7127 1 567 . 1 1 53 53 ASP CB C 13 42.77 0.10 . 1 . . . . 53 ASP CB . 7127 1 568 . 1 1 53 53 ASP N N 15 123.47 0.10 . 1 . . . . 53 ASP N . 7127 1 569 . 1 1 54 54 LEU H H 1 9.23 0.02 . 1 . . . . 54 LEU H . 7127 1 570 . 1 1 54 54 LEU HA H 1 5.20 0.02 . 1 . . . . 54 LEU HA . 7127 1 571 . 1 1 54 54 LEU HB2 H 1 1.87 0.02 . 1 . . . . 54 LEU HB2 . 7127 1 572 . 1 1 54 54 LEU HB3 H 1 1.98 0.02 . 1 . . . . 54 LEU HB3 . 7127 1 573 . 1 1 54 54 LEU HG H 1 1.80 0.02 . 1 . . . . 54 LEU HG . 7127 1 574 . 1 1 54 54 LEU HD11 H 1 1.10 0.02 . 1 . . . . 54 LEU HD1 . 7127 1 575 . 1 1 54 54 LEU HD12 H 1 1.10 0.02 . 1 . . . . 54 LEU HD1 . 7127 1 576 . 1 1 54 54 LEU HD13 H 1 1.10 0.02 . 1 . . . . 54 LEU HD1 . 7127 1 577 . 1 1 54 54 LEU HD21 H 1 1.12 0.02 . 1 . . . . 54 LEU HD2 . 7127 1 578 . 1 1 54 54 LEU HD22 H 1 1.12 0.02 . 1 . . . . 54 LEU HD2 . 7127 1 579 . 1 1 54 54 LEU HD23 H 1 1.12 0.02 . 1 . . . . 54 LEU HD2 . 7127 1 580 . 1 1 54 54 LEU CA C 13 51.86 0.10 . 1 . . . . 54 LEU CA . 7127 1 581 . 1 1 54 54 LEU CB C 13 44.90 0.10 . 1 . . . . 54 LEU CB . 7127 1 582 . 1 1 54 54 LEU CG C 13 27.80 0.10 . 1 . . . . 54 LEU CG . 7127 1 583 . 1 1 54 54 LEU CD1 C 13 26.71 0.10 . 1 . . . . 54 LEU CD1 . 7127 1 584 . 1 1 54 54 LEU CD2 C 13 23.91 0.10 . 1 . . . . 54 LEU CD2 . 7127 1 585 . 1 1 54 54 LEU N N 15 124.06 0.10 . 1 . . . . 54 LEU N . 7127 1 586 . 1 1 55 55 PRO HA H 1 5.06 0.02 . 1 . . . . 55 PRO HA . 7127 1 587 . 1 1 55 55 PRO HB2 H 1 2.31 0.02 . 1 . . . . 55 PRO HB2 . 7127 1 588 . 1 1 55 55 PRO HB3 H 1 2.60 0.02 . 1 . . . . 55 PRO HB3 . 7127 1 589 . 1 1 55 55 PRO HG2 H 1 2.07 0.02 . 1 . . . . 55 PRO HG2 . 7127 1 590 . 1 1 55 55 PRO HG3 H 1 2.25 0.02 . 1 . . . . 55 PRO HG3 . 7127 1 591 . 1 1 55 55 PRO HD2 H 1 3.98 0.02 . 1 . . . . 55 PRO HD2 . 7127 1 592 . 1 1 55 55 PRO HD3 H 1 3.87 0.02 . 1 . . . . 55 PRO HD3 . 7127 1 593 . 1 1 55 55 PRO CA C 13 62.31 0.10 . 1 . . . . 55 PRO CA . 7127 1 594 . 1 1 55 55 PRO CB C 13 33.64 0.10 . 1 . . . . 55 PRO CB . 7127 1 595 . 1 1 55 55 PRO CG C 13 27.12 0.10 . 1 . . . . 55 PRO CG . 7127 1 596 . 1 1 55 55 PRO CD C 13 50.52 0.10 . 1 . . . . 55 PRO CD . 7127 1 597 . 1 1 56 56 SER H H 1 8.80 0.02 . 1 . . . . 56 SER H . 7127 1 598 . 1 1 56 56 SER HA H 1 3.90 0.02 . 1 . . . . 56 SER HA . 7127 1 599 . 1 1 56 56 SER HB2 H 1 3.95 0.02 . 1 . . . . 56 SER HB2 . 7127 1 600 . 1 1 56 56 SER HB3 H 1 3.60 0.02 . 1 . . . . 56 SER HB3 . 7127 1 601 . 1 1 56 56 SER CA C 13 61.10 0.10 . 1 . . . . 56 SER CA . 7127 1 602 . 1 1 56 56 SER CB C 13 63.45 0.10 . 1 . . . . 56 SER CB . 7127 1 603 . 1 1 56 56 SER N N 15 112.97 0.10 . 1 . . . . 56 SER N . 7127 1 604 . 1 1 57 57 THR H H 1 7.09 0.02 . 1 . . . . 57 THR H . 7127 1 605 . 1 1 57 57 THR HA H 1 4.30 0.02 . 1 . . . . 57 THR HA . 7127 1 606 . 1 1 57 57 THR HB H 1 4.55 0.02 . 1 . . . . 57 THR HB . 7127 1 607 . 1 1 57 57 THR HG21 H 1 1.32 0.02 . 1 . . . . 57 THR HG2 . 7127 1 608 . 1 1 57 57 THR HG22 H 1 1.32 0.02 . 1 . . . . 57 THR HG2 . 7127 1 609 . 1 1 57 57 THR HG23 H 1 1.32 0.02 . 1 . . . . 57 THR HG2 . 7127 1 610 . 1 1 57 57 THR CA C 13 61.19 0.10 . 1 . . . . 57 THR CA . 7127 1 611 . 1 1 57 57 THR CB C 13 69.24 0.10 . 1 . . . . 57 THR CB . 7127 1 612 . 1 1 57 57 THR CG2 C 13 22.27 0.10 . 1 . . . . 57 THR CG2 . 7127 1 613 . 1 1 57 57 THR N N 15 107.42 0.10 . 1 . . . . 57 THR N . 7127 1 614 . 1 1 58 58 ALA H H 1 7.88 0.02 . 1 . . . . 58 ALA H . 7127 1 615 . 1 1 58 58 ALA HA H 1 4.46 0.02 . 1 . . . . 58 ALA HA . 7127 1 616 . 1 1 58 58 ALA HB1 H 1 1.75 0.02 . 1 . . . . 58 ALA HB . 7127 1 617 . 1 1 58 58 ALA HB2 H 1 1.75 0.02 . 1 . . . . 58 ALA HB . 7127 1 618 . 1 1 58 58 ALA HB3 H 1 1.75 0.02 . 1 . . . . 58 ALA HB . 7127 1 619 . 1 1 58 58 ALA CA C 13 52.96 0.10 . 1 . . . . 58 ALA CA . 7127 1 620 . 1 1 58 58 ALA CB C 13 21.27 0.10 . 1 . . . . 58 ALA CB . 7127 1 621 . 1 1 58 58 ALA N N 15 126.35 0.10 . 1 . . . . 58 ALA N . 7127 1 622 . 1 1 59 59 THR H H 1 8.02 0.02 . 1 . . . . 59 THR H . 7127 1 623 . 1 1 59 59 THR HA H 1 3.09 0.02 . 1 . . . . 59 THR HA . 7127 1 624 . 1 1 59 59 THR HB H 1 4.17 0.02 . 1 . . . . 59 THR HB . 7127 1 625 . 1 1 59 59 THR HG21 H 1 0.95 0.02 . 1 . . . . 59 THR HG2 . 7127 1 626 . 1 1 59 59 THR HG22 H 1 0.95 0.02 . 1 . . . . 59 THR HG2 . 7127 1 627 . 1 1 59 59 THR HG23 H 1 0.95 0.02 . 1 . . . . 59 THR HG2 . 7127 1 628 . 1 1 59 59 THR CA C 13 59.63 0.10 . 1 . . . . 59 THR CA . 7127 1 629 . 1 1 59 59 THR CB C 13 69.82 0.10 . 1 . . . . 59 THR CB . 7127 1 630 . 1 1 59 59 THR CG2 C 13 21.69 0.10 . 1 . . . . 59 THR CG2 . 7127 1 631 . 1 1 59 59 THR N N 15 108.39 0.10 . 1 . . . . 59 THR N . 7127 1 632 . 1 1 60 60 SER H H 1 6.74 0.02 . 1 . . . . 60 SER H . 7127 1 633 . 1 1 60 60 SER HA H 1 4.42 0.02 . 1 . . . . 60 SER HA . 7127 1 634 . 1 1 60 60 SER HB2 H 1 3.39 0.02 . 1 . . . . 60 SER HB2 . 7127 1 635 . 1 1 60 60 SER HB3 H 1 3.48 0.02 . 1 . . . . 60 SER HB3 . 7127 1 636 . 1 1 60 60 SER CA C 13 56.73 0.10 . 1 . . . . 60 SER CA . 7127 1 637 . 1 1 60 60 SER CB C 13 65.32 0.10 . 1 . . . . 60 SER CB . 7127 1 638 . 1 1 60 60 SER N N 15 111.90 0.10 . 1 . . . . 60 SER N . 7127 1 639 . 1 1 61 61 VAL H H 1 8.63 0.02 . 1 . . . . 61 VAL H . 7127 1 640 . 1 1 61 61 VAL HA H 1 4.45 0.02 . 1 . . . . 61 VAL HA . 7127 1 641 . 1 1 61 61 VAL HB H 1 2.31 0.02 . 1 . . . . 61 VAL HB . 7127 1 642 . 1 1 61 61 VAL HG11 H 1 1.01 0.02 . 1 . . . . 61 VAL HG1 . 7127 1 643 . 1 1 61 61 VAL HG12 H 1 1.01 0.02 . 1 . . . . 61 VAL HG1 . 7127 1 644 . 1 1 61 61 VAL HG13 H 1 1.01 0.02 . 1 . . . . 61 VAL HG1 . 7127 1 645 . 1 1 61 61 VAL HG21 H 1 1.12 0.02 . 1 . . . . 61 VAL HG2 . 7127 1 646 . 1 1 61 61 VAL HG22 H 1 1.12 0.02 . 1 . . . . 61 VAL HG2 . 7127 1 647 . 1 1 61 61 VAL HG23 H 1 1.12 0.02 . 1 . . . . 61 VAL HG2 . 7127 1 648 . 1 1 61 61 VAL CA C 13 60.68 0.10 . 1 . . . . 61 VAL CA . 7127 1 649 . 1 1 61 61 VAL CB C 13 35.00 0.10 . 1 . . . . 61 VAL CB . 7127 1 650 . 1 1 61 61 VAL CG1 C 13 19.54 0.10 . 1 . . . . 61 VAL CG1 . 7127 1 651 . 1 1 61 61 VAL CG2 C 13 22.57 0.10 . 1 . . . . 61 VAL CG2 . 7127 1 652 . 1 1 61 61 VAL N N 15 117.35 0.10 . 1 . . . . 61 VAL N . 7127 1 653 . 1 1 62 62 ASN H H 1 8.14 0.02 . 1 . . . . 62 ASN H . 7127 1 654 . 1 1 62 62 ASN HA H 1 5.06 0.02 . 1 . . . . 62 ASN HA . 7127 1 655 . 1 1 62 62 ASN HB2 H 1 2.47 0.02 . 1 . . . . 62 ASN HB2 . 7127 1 656 . 1 1 62 62 ASN HB3 H 1 2.59 0.02 . 1 . . . . 62 ASN HB3 . 7127 1 657 . 1 1 62 62 ASN HD21 H 1 6.53 0.02 . 1 . . . . 62 ASN HD21 . 7127 1 658 . 1 1 62 62 ASN HD22 H 1 7.18 0.02 . 1 . . . . 62 ASN HD22 . 7127 1 659 . 1 1 62 62 ASN CA C 13 51.77 0.10 . 1 . . . . 62 ASN CA . 7127 1 660 . 1 1 62 62 ASN CB C 13 39.81 0.10 . 1 . . . . 62 ASN CB . 7127 1 661 . 1 1 62 62 ASN N N 15 125.12 0.10 . 1 . . . . 62 ASN N . 7127 1 662 . 1 1 62 62 ASN ND2 N 15 110.97 0.10 . 1 . . . . 62 ASN ND2 . 7127 1 663 . 1 1 63 63 ILE H H 1 8.69 0.02 . 1 . . . . 63 ILE H . 7127 1 664 . 1 1 63 63 ILE HA H 1 4.04 0.02 . 1 . . . . 63 ILE HA . 7127 1 665 . 1 1 63 63 ILE HB H 1 1.18 0.02 . 1 . . . . 63 ILE HB . 7127 1 666 . 1 1 63 63 ILE HG12 H 1 1.26 0.02 . 1 . . . . 63 ILE HG12 . 7127 1 667 . 1 1 63 63 ILE HG13 H 1 0.56 0.02 . 1 . . . . 63 ILE HG13 . 7127 1 668 . 1 1 63 63 ILE HG21 H 1 -0.12 0.02 . 1 . . . . 63 ILE HG2 . 7127 1 669 . 1 1 63 63 ILE HG22 H 1 -0.12 0.02 . 1 . . . . 63 ILE HG2 . 7127 1 670 . 1 1 63 63 ILE HG23 H 1 -0.12 0.02 . 1 . . . . 63 ILE HG2 . 7127 1 671 . 1 1 63 63 ILE HD11 H 1 0.25 0.02 . 1 . . . . 63 ILE HD1 . 7127 1 672 . 1 1 63 63 ILE HD12 H 1 0.25 0.02 . 1 . . . . 63 ILE HD1 . 7127 1 673 . 1 1 63 63 ILE HD13 H 1 0.25 0.02 . 1 . . . . 63 ILE HD1 . 7127 1 674 . 1 1 63 63 ILE CA C 13 58.55 0.10 . 1 . . . . 63 ILE CA . 7127 1 675 . 1 1 63 63 ILE CB C 13 37.18 0.10 . 1 . . . . 63 ILE CB . 7127 1 676 . 1 1 63 63 ILE CG1 C 13 27.30 0.10 . 1 . . . . 63 ILE CG1 . 7127 1 677 . 1 1 63 63 ILE CG2 C 13 16.91 0.10 . 1 . . . . 63 ILE CG2 . 7127 1 678 . 1 1 63 63 ILE CD1 C 13 12.61 0.10 . 1 . . . . 63 ILE CD1 . 7127 1 679 . 1 1 63 63 ILE N N 15 127.36 0.10 . 1 . . . . 63 ILE N . 7127 1 680 . 1 1 64 64 PRO HA H 1 4.61 0.02 . 1 . . . . 64 PRO HA . 7127 1 681 . 1 1 64 64 PRO HB2 H 1 1.96 0.02 . 1 . . . . 64 PRO HB2 . 7127 1 682 . 1 1 64 64 PRO HB3 H 1 1.91 0.02 . 1 . . . . 64 PRO HB3 . 7127 1 683 . 1 1 64 64 PRO HG2 H 1 1.98 0.02 . 1 . . . . 64 PRO HG2 . 7127 1 684 . 1 1 64 64 PRO HG3 H 1 1.85 0.02 . 1 . . . . 64 PRO HG3 . 7127 1 685 . 1 1 64 64 PRO HD2 H 1 3.49 0.02 . 1 . . . . 64 PRO HD2 . 7127 1 686 . 1 1 64 64 PRO HD3 H 1 3.92 0.02 . 1 . . . . 64 PRO HD3 . 7127 1 687 . 1 1 64 64 PRO CA C 13 62.29 0.10 . 1 . . . . 64 PRO CA . 7127 1 688 . 1 1 64 64 PRO CB C 13 33.33 0.10 . 1 . . . . 64 PRO CB . 7127 1 689 . 1 1 64 64 PRO CG C 13 25.84 0.10 . 1 . . . . 64 PRO CG . 7127 1 690 . 1 1 64 64 PRO CD C 13 49.97 0.10 . 1 . . . . 64 PRO CD . 7127 1 691 . 1 1 65 65 ASP H H 1 8.27 0.02 . 1 . . . . 65 ASP H . 7127 1 692 . 1 1 65 65 ASP HA H 1 4.27 0.02 . 1 . . . . 65 ASP HA . 7127 1 693 . 1 1 65 65 ASP HB2 H 1 2.65 0.02 . 1 . . . . 65 ASP HB2 . 7127 1 694 . 1 1 65 65 ASP HB3 H 1 2.83 0.02 . 1 . . . . 65 ASP HB3 . 7127 1 695 . 1 1 65 65 ASP CA C 13 55.14 0.10 . 1 . . . . 65 ASP CA . 7127 1 696 . 1 1 65 65 ASP CB C 13 39.32 0.10 . 1 . . . . 65 ASP CB . 7127 1 697 . 1 1 65 65 ASP N N 15 113.32 0.10 . 1 . . . . 65 ASP N . 7127 1 698 . 1 1 66 66 LEU H H 1 8.10 0.02 . 1 . . . . 66 LEU H . 7127 1 699 . 1 1 66 66 LEU HA H 1 4.25 0.02 . 1 . . . . 66 LEU HA . 7127 1 700 . 1 1 66 66 LEU HB2 H 1 1.17 0.02 . 1 . . . . 66 LEU HB2 . 7127 1 701 . 1 1 66 66 LEU HB3 H 1 1.10 0.02 . 1 . . . . 66 LEU HB3 . 7127 1 702 . 1 1 66 66 LEU HG H 1 0.99 0.02 . 1 . . . . 66 LEU HG . 7127 1 703 . 1 1 66 66 LEU HD11 H 1 -0.31 0.02 . 1 . . . . 66 LEU HD1 . 7127 1 704 . 1 1 66 66 LEU HD12 H 1 -0.31 0.02 . 1 . . . . 66 LEU HD1 . 7127 1 705 . 1 1 66 66 LEU HD13 H 1 -0.31 0.02 . 1 . . . . 66 LEU HD1 . 7127 1 706 . 1 1 66 66 LEU HD21 H 1 -0.05 0.02 . 1 . . . . 66 LEU HD2 . 7127 1 707 . 1 1 66 66 LEU HD22 H 1 -0.05 0.02 . 1 . . . . 66 LEU HD2 . 7127 1 708 . 1 1 66 66 LEU HD23 H 1 -0.05 0.02 . 1 . . . . 66 LEU HD2 . 7127 1 709 . 1 1 66 66 LEU CA C 13 54.01 0.10 . 1 . . . . 66 LEU CA . 7127 1 710 . 1 1 66 66 LEU CB C 13 41.21 0.10 . 1 . . . . 66 LEU CB . 7127 1 711 . 1 1 66 66 LEU CG C 13 25.50 0.10 . 1 . . . . 66 LEU CG . 7127 1 712 . 1 1 66 66 LEU CD1 C 13 25.69 0.10 . 1 . . . . 66 LEU CD1 . 7127 1 713 . 1 1 66 66 LEU CD2 C 13 20.61 0.10 . 1 . . . . 66 LEU CD2 . 7127 1 714 . 1 1 66 66 LEU N N 15 117.95 0.10 . 1 . . . . 66 LEU N . 7127 1 715 . 1 1 67 67 LEU H H 1 8.35 0.02 . 1 . . . . 67 LEU H . 7127 1 716 . 1 1 67 67 LEU HA H 1 4.62 0.02 . 1 . . . . 67 LEU HA . 7127 1 717 . 1 1 67 67 LEU HB2 H 1 1.80 0.02 . 1 . . . . 67 LEU HB2 . 7127 1 718 . 1 1 67 67 LEU HB3 H 1 1.49 0.02 . 1 . . . . 67 LEU HB3 . 7127 1 719 . 1 1 67 67 LEU HG H 1 1.85 0.02 . 1 . . . . 67 LEU HG . 7127 1 720 . 1 1 67 67 LEU HD11 H 1 1.01 0.02 . 1 . . . . 67 LEU HD1 . 7127 1 721 . 1 1 67 67 LEU HD12 H 1 1.01 0.02 . 1 . . . . 67 LEU HD1 . 7127 1 722 . 1 1 67 67 LEU HD13 H 1 1.01 0.02 . 1 . . . . 67 LEU HD1 . 7127 1 723 . 1 1 67 67 LEU HD21 H 1 0.97 0.02 . 1 . . . . 67 LEU HD2 . 7127 1 724 . 1 1 67 67 LEU HD22 H 1 0.97 0.02 . 1 . . . . 67 LEU HD2 . 7127 1 725 . 1 1 67 67 LEU HD23 H 1 0.97 0.02 . 1 . . . . 67 LEU HD2 . 7127 1 726 . 1 1 67 67 LEU CA C 13 52.94 0.10 . 1 . . . . 67 LEU CA . 7127 1 727 . 1 1 67 67 LEU CB C 13 42.28 0.10 . 1 . . . . 67 LEU CB . 7127 1 728 . 1 1 67 67 LEU CG C 13 27.14 0.10 . 1 . . . . 67 LEU CG . 7127 1 729 . 1 1 67 67 LEU CD1 C 13 25.74 0.10 . 1 . . . . 67 LEU CD1 . 7127 1 730 . 1 1 67 67 LEU CD2 C 13 22.99 0.10 . 1 . . . . 67 LEU CD2 . 7127 1 731 . 1 1 67 67 LEU N N 15 123.12 0.10 . 1 . . . . 67 LEU N . 7127 1 732 . 1 1 68 68 PRO HA H 1 4.60 0.02 . 1 . . . . 68 PRO HA . 7127 1 733 . 1 1 68 68 PRO HB2 H 1 1.99 0.02 . 1 . . . . 68 PRO HB2 . 7127 1 734 . 1 1 68 68 PRO HB3 H 1 2.30 0.02 . 1 . . . . 68 PRO HB3 . 7127 1 735 . 1 1 68 68 PRO HG2 H 1 2.03 0.02 . 1 . . . . 68 PRO HG2 . 7127 1 736 . 1 1 68 68 PRO HG3 H 1 2.03 0.02 . 1 . . . . 68 PRO HG3 . 7127 1 737 . 1 1 68 68 PRO HD2 H 1 3.72 0.02 . 1 . . . . 68 PRO HD2 . 7127 1 738 . 1 1 68 68 PRO HD3 H 1 3.93 0.02 . 1 . . . . 68 PRO HD3 . 7127 1 739 . 1 1 68 68 PRO CA C 13 62.54 0.10 . 1 . . . . 68 PRO CA . 7127 1 740 . 1 1 68 68 PRO CB C 13 32.61 0.10 . 1 . . . . 68 PRO CB . 7127 1 741 . 1 1 68 68 PRO CG C 13 27.09 0.10 . 1 . . . . 68 PRO CG . 7127 1 742 . 1 1 68 68 PRO CD C 13 50.73 0.10 . 1 . . . . 68 PRO CD . 7127 1 743 . 1 1 69 69 GLY H H 1 8.33 0.02 . 1 . . . . 69 GLY H . 7127 1 744 . 1 1 69 69 GLY HA2 H 1 3.90 0.02 . 1 . . . . 69 GLY HA2 . 7127 1 745 . 1 1 69 69 GLY HA3 H 1 3.90 0.02 . 1 . . . . 69 GLY HA3 . 7127 1 746 . 1 1 69 69 GLY CA C 13 47.22 0.10 . 1 . . . . 69 GLY CA . 7127 1 747 . 1 1 69 69 GLY N N 15 111.08 0.10 . 1 . . . . 69 GLY N . 7127 1 748 . 1 1 70 70 ARG H H 1 8.03 0.02 . 1 . . . . 70 ARG H . 7127 1 749 . 1 1 70 70 ARG HA H 1 4.72 0.02 . 1 . . . . 70 ARG HA . 7127 1 750 . 1 1 70 70 ARG HB2 H 1 1.57 0.02 . 1 . . . . 70 ARG HB2 . 7127 1 751 . 1 1 70 70 ARG HB3 H 1 1.57 0.02 . 1 . . . . 70 ARG HB3 . 7127 1 752 . 1 1 70 70 ARG HG2 H 1 1.44 0.02 . 1 . . . . 70 ARG HG2 . 7127 1 753 . 1 1 70 70 ARG HG3 H 1 1.44 0.02 . 1 . . . . 70 ARG HG3 . 7127 1 754 . 1 1 70 70 ARG HD2 H 1 3.11 0.02 . 1 . . . . 70 ARG HD2 . 7127 1 755 . 1 1 70 70 ARG HD3 H 1 3.19 0.02 . 1 . . . . 70 ARG HD3 . 7127 1 756 . 1 1 70 70 ARG HE H 1 7.45 0.02 . 1 . . . . 70 ARG HE . 7127 1 757 . 1 1 70 70 ARG CA C 13 52.48 0.10 . 1 . . . . 70 ARG CA . 7127 1 758 . 1 1 70 70 ARG CB C 13 33.35 0.10 . 1 . . . . 70 ARG CB . 7127 1 759 . 1 1 70 70 ARG CG C 13 26.91 0.10 . 1 . . . . 70 ARG CG . 7127 1 760 . 1 1 70 70 ARG CD C 13 41.56 0.10 . 1 . . . . 70 ARG CD . 7127 1 761 . 1 1 70 70 ARG N N 15 118.47 0.10 . 1 . . . . 70 ARG N . 7127 1 762 . 1 1 70 70 ARG NE N 15 84.09 0.10 . 1 . . . . 70 ARG NE . 7127 1 763 . 1 1 71 71 LYS H H 1 8.09 0.02 . 1 . . . . 71 LYS H . 7127 1 764 . 1 1 71 71 LYS HA H 1 4.91 0.02 . 1 . . . . 71 LYS HA . 7127 1 765 . 1 1 71 71 LYS HB2 H 1 1.69 0.02 . 1 . . . . 71 LYS HB2 . 7127 1 766 . 1 1 71 71 LYS HB3 H 1 1.81 0.02 . 1 . . . . 71 LYS HB3 . 7127 1 767 . 1 1 71 71 LYS HG2 H 1 1.16 0.02 . 1 . . . . 71 LYS HG2 . 7127 1 768 . 1 1 71 71 LYS HG3 H 1 1.32 0.02 . 1 . . . . 71 LYS HG3 . 7127 1 769 . 1 1 71 71 LYS HD2 H 1 1.65 0.02 . 1 . . . . 71 LYS HD2 . 7127 1 770 . 1 1 71 71 LYS HD3 H 1 1.65 0.02 . 1 . . . . 71 LYS HD3 . 7127 1 771 . 1 1 71 71 LYS HE2 H 1 2.89 0.02 . 1 . . . . 71 LYS HE2 . 7127 1 772 . 1 1 71 71 LYS HE3 H 1 2.89 0.02 . 1 . . . . 71 LYS HE3 . 7127 1 773 . 1 1 71 71 LYS CA C 13 56.04 0.10 . 1 . . . . 71 LYS CA . 7127 1 774 . 1 1 71 71 LYS CB C 13 34.06 0.10 . 1 . . . . 71 LYS CB . 7127 1 775 . 1 1 71 71 LYS CG C 13 25.47 0.10 . 1 . . . . 71 LYS CG . 7127 1 776 . 1 1 71 71 LYS CD C 13 29.53 0.10 . 1 . . . . 71 LYS CD . 7127 1 777 . 1 1 71 71 LYS CE C 13 42.04 0.10 . 1 . . . . 71 LYS CE . 7127 1 778 . 1 1 71 71 LYS N N 15 120.45 0.10 . 1 . . . . 71 LYS N . 7127 1 779 . 1 1 72 72 TYR H H 1 9.11 0.02 . 1 . . . . 72 TYR H . 7127 1 780 . 1 1 72 72 TYR HA H 1 5.14 0.02 . 1 . . . . 72 TYR HA . 7127 1 781 . 1 1 72 72 TYR HB2 H 1 2.82 0.02 . 1 . . . . 72 TYR HB2 . 7127 1 782 . 1 1 72 72 TYR HB3 H 1 2.74 0.02 . 1 . . . . 72 TYR HB3 . 7127 1 783 . 1 1 72 72 TYR HD1 H 1 7.01 0.02 . 1 . . . . 72 TYR HD1 . 7127 1 784 . 1 1 72 72 TYR HD2 H 1 7.01 0.02 . 1 . . . . 72 TYR HD2 . 7127 1 785 . 1 1 72 72 TYR HE1 H 1 6.96 0.02 . 1 . . . . 72 TYR HE1 . 7127 1 786 . 1 1 72 72 TYR HE2 H 1 6.96 0.02 . 1 . . . . 72 TYR HE2 . 7127 1 787 . 1 1 72 72 TYR CA C 13 57.72 0.10 . 1 . . . . 72 TYR CA . 7127 1 788 . 1 1 72 72 TYR CB C 13 42.13 0.10 . 1 . . . . 72 TYR CB . 7127 1 789 . 1 1 72 72 TYR CD1 C 13 132.71 0.10 . 1 . . . . 72 TYR CD1 . 7127 1 790 . 1 1 72 72 TYR CD2 C 13 132.71 0.10 . 1 . . . . 72 TYR CD2 . 7127 1 791 . 1 1 72 72 TYR CE1 C 13 119.03 0.10 . 1 . . . . 72 TYR CE1 . 7127 1 792 . 1 1 72 72 TYR CE2 C 13 119.03 0.10 . 1 . . . . 72 TYR CE2 . 7127 1 793 . 1 1 72 72 TYR N N 15 125.70 0.10 . 1 . . . . 72 TYR N . 7127 1 794 . 1 1 73 73 ILE H H 1 9.28 0.02 . 1 . . . . 73 ILE H . 7127 1 795 . 1 1 73 73 ILE HA H 1 4.57 0.02 . 1 . . . . 73 ILE HA . 7127 1 796 . 1 1 73 73 ILE HB H 1 1.89 0.02 . 1 . . . . 73 ILE HB . 7127 1 797 . 1 1 73 73 ILE HG12 H 1 1.53 0.02 . 1 . . . . 73 ILE HG12 . 7127 1 798 . 1 1 73 73 ILE HG13 H 1 1.23 0.02 . 1 . . . . 73 ILE HG13 . 7127 1 799 . 1 1 73 73 ILE HG21 H 1 0.95 0.02 . 1 . . . . 73 ILE HG2 . 7127 1 800 . 1 1 73 73 ILE HG22 H 1 0.95 0.02 . 1 . . . . 73 ILE HG2 . 7127 1 801 . 1 1 73 73 ILE HG23 H 1 0.95 0.02 . 1 . . . . 73 ILE HG2 . 7127 1 802 . 1 1 73 73 ILE HD11 H 1 0.85 0.02 . 1 . . . . 73 ILE HD1 . 7127 1 803 . 1 1 73 73 ILE HD12 H 1 0.85 0.02 . 1 . . . . 73 ILE HD1 . 7127 1 804 . 1 1 73 73 ILE HD13 H 1 0.85 0.02 . 1 . . . . 73 ILE HD1 . 7127 1 805 . 1 1 73 73 ILE CA C 13 60.26 0.10 . 1 . . . . 73 ILE CA . 7127 1 806 . 1 1 73 73 ILE CB C 13 39.21 0.10 . 1 . . . . 73 ILE CB . 7127 1 807 . 1 1 73 73 ILE CG1 C 13 27.78 0.10 . 1 . . . . 73 ILE CG1 . 7127 1 808 . 1 1 73 73 ILE CG2 C 13 17.60 0.10 . 1 . . . . 73 ILE CG2 . 7127 1 809 . 1 1 73 73 ILE CD1 C 13 12.50 0.10 . 1 . . . . 73 ILE CD1 . 7127 1 810 . 1 1 73 73 ILE N N 15 122.09 0.10 . 1 . . . . 73 ILE N . 7127 1 811 . 1 1 74 74 VAL H H 1 8.62 0.02 . 1 . . . . 74 VAL H . 7127 1 812 . 1 1 74 74 VAL HA H 1 5.09 0.02 . 1 . . . . 74 VAL HA . 7127 1 813 . 1 1 74 74 VAL HB H 1 1.85 0.02 . 1 . . . . 74 VAL HB . 7127 1 814 . 1 1 74 74 VAL HG11 H 1 0.83 0.02 . 1 . . . . 74 VAL HG1 . 7127 1 815 . 1 1 74 74 VAL HG12 H 1 0.83 0.02 . 1 . . . . 74 VAL HG1 . 7127 1 816 . 1 1 74 74 VAL HG13 H 1 0.83 0.02 . 1 . . . . 74 VAL HG1 . 7127 1 817 . 1 1 74 74 VAL HG21 H 1 0.85 0.02 . 1 . . . . 74 VAL HG2 . 7127 1 818 . 1 1 74 74 VAL HG22 H 1 0.85 0.02 . 1 . . . . 74 VAL HG2 . 7127 1 819 . 1 1 74 74 VAL HG23 H 1 0.85 0.02 . 1 . . . . 74 VAL HG2 . 7127 1 820 . 1 1 74 74 VAL CA C 13 60.91 0.10 . 1 . . . . 74 VAL CA . 7127 1 821 . 1 1 74 74 VAL CB C 13 34.69 0.10 . 1 . . . . 74 VAL CB . 7127 1 822 . 1 1 74 74 VAL CG1 C 13 21.63 0.10 . 1 . . . . 74 VAL CG1 . 7127 1 823 . 1 1 74 74 VAL CG2 C 13 20.68 0.10 . 1 . . . . 74 VAL CG2 . 7127 1 824 . 1 1 74 74 VAL N N 15 125.92 0.10 . 1 . . . . 74 VAL N . 7127 1 825 . 1 1 75 75 ASN H H 1 9.42 0.02 . 1 . . . . 75 ASN H . 7127 1 826 . 1 1 75 75 ASN HA H 1 5.70 0.02 . 1 . . . . 75 ASN HA . 7127 1 827 . 1 1 75 75 ASN HB2 H 1 2.83 0.02 . 1 . . . . 75 ASN HB2 . 7127 1 828 . 1 1 75 75 ASN HB3 H 1 2.12 0.02 . 1 . . . . 75 ASN HB3 . 7127 1 829 . 1 1 75 75 ASN HD21 H 1 6.62 0.02 . 1 . . . . 75 ASN HD21 . 7127 1 830 . 1 1 75 75 ASN HD22 H 1 7.95 0.02 . 1 . . . . 75 ASN HD22 . 7127 1 831 . 1 1 75 75 ASN CA C 13 51.71 0.10 . 1 . . . . 75 ASN CA . 7127 1 832 . 1 1 75 75 ASN CB C 13 42.81 0.10 . 1 . . . . 75 ASN CB . 7127 1 833 . 1 1 75 75 ASN N N 15 125.12 0.10 . 1 . . . . 75 ASN N . 7127 1 834 . 1 1 75 75 ASN ND2 N 15 114.99 0.10 . 1 . . . . 75 ASN ND2 . 7127 1 835 . 1 1 76 76 VAL H H 1 9.01 0.02 . 1 . . . . 76 VAL H . 7127 1 836 . 1 1 76 76 VAL HA H 1 4.53 0.02 . 1 . . . . 76 VAL HA . 7127 1 837 . 1 1 76 76 VAL HB H 1 1.60 0.02 . 1 . . . . 76 VAL HB . 7127 1 838 . 1 1 76 76 VAL HG11 H 1 -0.35 0.02 . 1 . . . . 76 VAL HG1 . 7127 1 839 . 1 1 76 76 VAL HG12 H 1 -0.35 0.02 . 1 . . . . 76 VAL HG1 . 7127 1 840 . 1 1 76 76 VAL HG13 H 1 -0.35 0.02 . 1 . . . . 76 VAL HG1 . 7127 1 841 . 1 1 76 76 VAL HG21 H 1 0.60 0.02 . 1 . . . . 76 VAL HG2 . 7127 1 842 . 1 1 76 76 VAL HG22 H 1 0.60 0.02 . 1 . . . . 76 VAL HG2 . 7127 1 843 . 1 1 76 76 VAL HG23 H 1 0.60 0.02 . 1 . . . . 76 VAL HG2 . 7127 1 844 . 1 1 76 76 VAL CA C 13 61.57 0.10 . 1 . . . . 76 VAL CA . 7127 1 845 . 1 1 76 76 VAL CB C 13 33.04 0.10 . 1 . . . . 76 VAL CB . 7127 1 846 . 1 1 76 76 VAL CG1 C 13 19.29 0.10 . 1 . . . . 76 VAL CG1 . 7127 1 847 . 1 1 76 76 VAL CG2 C 13 20.88 0.10 . 1 . . . . 76 VAL CG2 . 7127 1 848 . 1 1 76 76 VAL N N 15 121.12 0.10 . 1 . . . . 76 VAL N . 7127 1 849 . 1 1 77 77 TYR H H 1 9.53 0.02 . 1 . . . . 77 TYR H . 7127 1 850 . 1 1 77 77 TYR HA H 1 5.29 0.02 . 1 . . . . 77 TYR HA . 7127 1 851 . 1 1 77 77 TYR HB2 H 1 2.82 0.02 . 1 . . . . 77 TYR HB2 . 7127 1 852 . 1 1 77 77 TYR HB3 H 1 2.66 0.02 . 1 . . . . 77 TYR HB3 . 7127 1 853 . 1 1 77 77 TYR HD1 H 1 6.85 0.02 . 1 . . . . 77 TYR HD1 . 7127 1 854 . 1 1 77 77 TYR HD2 H 1 6.85 0.02 . 1 . . . . 77 TYR HD2 . 7127 1 855 . 1 1 77 77 TYR HE1 H 1 6.79 0.02 . 1 . . . . 77 TYR HE1 . 7127 1 856 . 1 1 77 77 TYR HE2 H 1 6.79 0.02 . 1 . . . . 77 TYR HE2 . 7127 1 857 . 1 1 77 77 TYR CA C 13 56.05 0.10 . 1 . . . . 77 TYR CA . 7127 1 858 . 1 1 77 77 TYR CB C 13 40.68 0.10 . 1 . . . . 77 TYR CB . 7127 1 859 . 1 1 77 77 TYR CD1 C 13 132.87 0.10 . 1 . . . . 77 TYR CD1 . 7127 1 860 . 1 1 77 77 TYR CD2 C 13 132.87 0.10 . 1 . . . . 77 TYR CD2 . 7127 1 861 . 1 1 77 77 TYR CE1 C 13 118.24 0.10 . 1 . . . . 77 TYR CE1 . 7127 1 862 . 1 1 77 77 TYR CE2 C 13 118.24 0.10 . 1 . . . . 77 TYR CE2 . 7127 1 863 . 1 1 77 77 TYR N N 15 125.44 0.10 . 1 . . . . 77 TYR N . 7127 1 864 . 1 1 78 78 GLN H H 1 9.38 0.02 . 1 . . . . 78 GLN H . 7127 1 865 . 1 1 78 78 GLN HA H 1 4.72 0.02 . 1 . . . . 78 GLN HA . 7127 1 866 . 1 1 78 78 GLN HB2 H 1 2.07 0.02 . 1 . . . . 78 GLN HB2 . 7127 1 867 . 1 1 78 78 GLN HB3 H 1 2.14 0.02 . 1 . . . . 78 GLN HB3 . 7127 1 868 . 1 1 78 78 GLN HG2 H 1 2.14 0.02 . 1 . . . . 78 GLN HG2 . 7127 1 869 . 1 1 78 78 GLN HG3 H 1 2.22 0.02 . 1 . . . . 78 GLN HG3 . 7127 1 870 . 1 1 78 78 GLN HE21 H 1 6.60 0.02 . 1 . . . . 78 GLN HE21 . 7127 1 871 . 1 1 78 78 GLN HE22 H 1 7.31 0.02 . 1 . . . . 78 GLN HE22 . 7127 1 872 . 1 1 78 78 GLN CA C 13 54.68 0.10 . 1 . . . . 78 GLN CA . 7127 1 873 . 1 1 78 78 GLN CB C 13 32.26 0.10 . 1 . . . . 78 GLN CB . 7127 1 874 . 1 1 78 78 GLN CG C 13 34.23 0.10 . 1 . . . . 78 GLN CG . 7127 1 875 . 1 1 78 78 GLN N N 15 121.74 0.10 . 1 . . . . 78 GLN N . 7127 1 876 . 1 1 78 78 GLN NE2 N 15 110.68 0.10 . 1 . . . . 78 GLN NE2 . 7127 1 877 . 1 1 79 79 ILE H H 1 8.28 0.02 . 1 . . . . 79 ILE H . 7127 1 878 . 1 1 79 79 ILE HA H 1 4.78 0.02 . 1 . . . . 79 ILE HA . 7127 1 879 . 1 1 79 79 ILE HB H 1 1.46 0.02 . 1 . . . . 79 ILE HB . 7127 1 880 . 1 1 79 79 ILE HG12 H 1 0.92 0.02 . 1 . . . . 79 ILE HG12 . 7127 1 881 . 1 1 79 79 ILE HG13 H 1 1.22 0.02 . 1 . . . . 79 ILE HG13 . 7127 1 882 . 1 1 79 79 ILE HG21 H 1 0.81 0.02 . 1 . . . . 79 ILE HG2 . 7127 1 883 . 1 1 79 79 ILE HG22 H 1 0.81 0.02 . 1 . . . . 79 ILE HG2 . 7127 1 884 . 1 1 79 79 ILE HG23 H 1 0.81 0.02 . 1 . . . . 79 ILE HG2 . 7127 1 885 . 1 1 79 79 ILE HD11 H 1 0.60 0.02 . 1 . . . . 79 ILE HD1 . 7127 1 886 . 1 1 79 79 ILE HD12 H 1 0.60 0.02 . 1 . . . . 79 ILE HD1 . 7127 1 887 . 1 1 79 79 ILE HD13 H 1 0.60 0.02 . 1 . . . . 79 ILE HD1 . 7127 1 888 . 1 1 79 79 ILE CA C 13 59.56 0.10 . 1 . . . . 79 ILE CA . 7127 1 889 . 1 1 79 79 ILE CB C 13 37.86 0.10 . 1 . . . . 79 ILE CB . 7127 1 890 . 1 1 79 79 ILE CG1 C 13 27.24 0.10 . 1 . . . . 79 ILE CG1 . 7127 1 891 . 1 1 79 79 ILE CG2 C 13 17.48 0.10 . 1 . . . . 79 ILE CG2 . 7127 1 892 . 1 1 79 79 ILE CD1 C 13 12.61 0.10 . 1 . . . . 79 ILE CD1 . 7127 1 893 . 1 1 79 79 ILE N N 15 126.08 0.10 . 1 . . . . 79 ILE N . 7127 1 894 . 1 1 80 80 SER H H 1 8.88 0.02 . 1 . . . . 80 SER H . 7127 1 895 . 1 1 80 80 SER HA H 1 4.86 0.02 . 1 . . . . 80 SER HA . 7127 1 896 . 1 1 80 80 SER HB2 H 1 4.33 0.02 . 1 . . . . 80 SER HB2 . 7127 1 897 . 1 1 80 80 SER HB3 H 1 4.09 0.02 . 1 . . . . 80 SER HB3 . 7127 1 898 . 1 1 80 80 SER CA C 13 57.90 0.10 . 1 . . . . 80 SER CA . 7127 1 899 . 1 1 80 80 SER CB C 13 65.27 0.10 . 1 . . . . 80 SER CB . 7127 1 900 . 1 1 80 80 SER N N 15 122.74 0.10 . 1 . . . . 80 SER N . 7127 1 901 . 1 1 81 81 GLU H H 1 8.97 0.02 . 1 . . . . 81 GLU H . 7127 1 902 . 1 1 81 81 GLU HA H 1 4.07 0.02 . 1 . . . . 81 GLU HA . 7127 1 903 . 1 1 81 81 GLU HB2 H 1 2.06 0.02 . 1 . . . . 81 GLU HB2 . 7127 1 904 . 1 1 81 81 GLU HB3 H 1 2.06 0.02 . 1 . . . . 81 GLU HB3 . 7127 1 905 . 1 1 81 81 GLU HG2 H 1 2.25 0.02 . 1 . . . . 81 GLU HG2 . 7127 1 906 . 1 1 81 81 GLU HG3 H 1 2.25 0.02 . 1 . . . . 81 GLU HG3 . 7127 1 907 . 1 1 81 81 GLU CA C 13 59.41 0.10 . 1 . . . . 81 GLU CA . 7127 1 908 . 1 1 81 81 GLU CB C 13 29.52 0.10 . 1 . . . . 81 GLU CB . 7127 1 909 . 1 1 81 81 GLU CG C 13 36.14 0.10 . 1 . . . . 81 GLU CG . 7127 1 910 . 1 1 81 81 GLU N N 15 122.76 0.10 . 1 . . . . 81 GLU N . 7127 1 911 . 1 1 82 82 ASP H H 1 7.90 0.02 . 1 . . . . 82 ASP H . 7127 1 912 . 1 1 82 82 ASP HA H 1 4.64 0.02 . 1 . . . . 82 ASP HA . 7127 1 913 . 1 1 82 82 ASP HB2 H 1 2.80 0.02 . 1 . . . . 82 ASP HB2 . 7127 1 914 . 1 1 82 82 ASP HB3 H 1 2.73 0.02 . 1 . . . . 82 ASP HB3 . 7127 1 915 . 1 1 82 82 ASP CA C 13 53.60 0.10 . 1 . . . . 82 ASP CA . 7127 1 916 . 1 1 82 82 ASP CB C 13 40.56 0.10 . 1 . . . . 82 ASP CB . 7127 1 917 . 1 1 82 82 ASP N N 15 115.60 0.10 . 1 . . . . 82 ASP N . 7127 1 918 . 1 1 83 83 GLY H H 1 7.98 0.02 . 1 . . . . 83 GLY H . 7127 1 919 . 1 1 83 83 GLY HA2 H 1 3.47 0.02 . 1 . . . . 83 GLY HA2 . 7127 1 920 . 1 1 83 83 GLY HA3 H 1 4.20 0.02 . 1 . . . . 83 GLY HA3 . 7127 1 921 . 1 1 83 83 GLY CA C 13 45.30 0.10 . 1 . . . . 83 GLY CA . 7127 1 922 . 1 1 83 83 GLY N N 15 108.27 0.10 . 1 . . . . 83 GLY N . 7127 1 923 . 1 1 84 84 GLU H H 1 7.77 0.02 . 1 . . . . 84 GLU H . 7127 1 924 . 1 1 84 84 GLU HA H 1 4.24 0.02 . 1 . . . . 84 GLU HA . 7127 1 925 . 1 1 84 84 GLU HB2 H 1 1.98 0.02 . 1 . . . . 84 GLU HB2 . 7127 1 926 . 1 1 84 84 GLU HB3 H 1 1.98 0.02 . 1 . . . . 84 GLU HB3 . 7127 1 927 . 1 1 84 84 GLU HG2 H 1 2.09 0.02 . 1 . . . . 84 GLU HG2 . 7127 1 928 . 1 1 84 84 GLU HG3 H 1 2.24 0.02 . 1 . . . . 84 GLU HG3 . 7127 1 929 . 1 1 84 84 GLU CA C 13 56.56 0.10 . 1 . . . . 84 GLU CA . 7127 1 930 . 1 1 84 84 GLU CB C 13 30.28 0.10 . 1 . . . . 84 GLU CB . 7127 1 931 . 1 1 84 84 GLU CG C 13 36.27 0.10 . 1 . . . . 84 GLU CG . 7127 1 932 . 1 1 84 84 GLU N N 15 121.05 0.10 . 1 . . . . 84 GLU N . 7127 1 933 . 1 1 85 85 GLN H H 1 8.82 0.02 . 1 . . . . 85 GLN H . 7127 1 934 . 1 1 85 85 GLN HA H 1 5.40 0.02 . 1 . . . . 85 GLN HA . 7127 1 935 . 1 1 85 85 GLN HB2 H 1 1.84 0.02 . 1 . . . . 85 GLN HB2 . 7127 1 936 . 1 1 85 85 GLN HB3 H 1 1.84 0.02 . 1 . . . . 85 GLN HB3 . 7127 1 937 . 1 1 85 85 GLN HG2 H 1 2.05 0.02 . 1 . . . . 85 GLN HG2 . 7127 1 938 . 1 1 85 85 GLN HG3 H 1 2.17 0.02 . 1 . . . . 85 GLN HG3 . 7127 1 939 . 1 1 85 85 GLN HE21 H 1 6.25 0.02 . 1 . . . . 85 GLN HE21 . 7127 1 940 . 1 1 85 85 GLN HE22 H 1 6.50 0.02 . 1 . . . . 85 GLN HE22 . 7127 1 941 . 1 1 85 85 GLN CA C 13 54.54 0.10 . 1 . . . . 85 GLN CA . 7127 1 942 . 1 1 85 85 GLN CB C 13 31.08 0.10 . 1 . . . . 85 GLN CB . 7127 1 943 . 1 1 85 85 GLN CG C 13 34.01 0.10 . 1 . . . . 85 GLN CG . 7127 1 944 . 1 1 85 85 GLN N N 15 124.34 0.10 . 1 . . . . 85 GLN N . 7127 1 945 . 1 1 85 85 GLN NE2 N 15 108.76 0.10 . 1 . . . . 85 GLN NE2 . 7127 1 946 . 1 1 86 86 SER H H 1 8.91 0.02 . 1 . . . . 86 SER H . 7127 1 947 . 1 1 86 86 SER HA H 1 4.94 0.02 . 1 . . . . 86 SER HA . 7127 1 948 . 1 1 86 86 SER HB2 H 1 3.75 0.02 . 1 . . . . 86 SER HB2 . 7127 1 949 . 1 1 86 86 SER HB3 H 1 3.87 0.02 . 1 . . . . 86 SER HB3 . 7127 1 950 . 1 1 86 86 SER CA C 13 57.12 0.10 . 1 . . . . 86 SER CA . 7127 1 951 . 1 1 86 86 SER CB C 13 65.29 0.10 . 1 . . . . 86 SER CB . 7127 1 952 . 1 1 86 86 SER N N 15 117.33 0.10 . 1 . . . . 86 SER N . 7127 1 953 . 1 1 87 87 LEU H H 1 9.04 0.02 . 1 . . . . 87 LEU H . 7127 1 954 . 1 1 87 87 LEU HA H 1 4.06 0.02 . 1 . . . . 87 LEU HA . 7127 1 955 . 1 1 87 87 LEU HB2 H 1 1.41 0.02 . 1 . . . . 87 LEU HB2 . 7127 1 956 . 1 1 87 87 LEU HB3 H 1 1.82 0.02 . 1 . . . . 87 LEU HB3 . 7127 1 957 . 1 1 87 87 LEU HG H 1 1.13 0.02 . 1 . . . . 87 LEU HG . 7127 1 958 . 1 1 87 87 LEU HD11 H 1 0.42 0.02 . 1 . . . . 87 LEU HD1 . 7127 1 959 . 1 1 87 87 LEU HD12 H 1 0.42 0.02 . 1 . . . . 87 LEU HD1 . 7127 1 960 . 1 1 87 87 LEU HD13 H 1 0.42 0.02 . 1 . . . . 87 LEU HD1 . 7127 1 961 . 1 1 87 87 LEU HD21 H 1 0.77 0.02 . 1 . . . . 87 LEU HD2 . 7127 1 962 . 1 1 87 87 LEU HD22 H 1 0.77 0.02 . 1 . . . . 87 LEU HD2 . 7127 1 963 . 1 1 87 87 LEU HD23 H 1 0.77 0.02 . 1 . . . . 87 LEU HD2 . 7127 1 964 . 1 1 87 87 LEU CA C 13 56.28 0.10 . 1 . . . . 87 LEU CA . 7127 1 965 . 1 1 87 87 LEU CB C 13 42.53 0.10 . 1 . . . . 87 LEU CB . 7127 1 966 . 1 1 87 87 LEU CG C 13 26.92 0.10 . 1 . . . . 87 LEU CG . 7127 1 967 . 1 1 87 87 LEU CD1 C 13 23.02 0.10 . 1 . . . . 87 LEU CD1 . 7127 1 968 . 1 1 87 87 LEU CD2 C 13 25.97 0.10 . 1 . . . . 87 LEU CD2 . 7127 1 969 . 1 1 87 87 LEU N N 15 129.27 0.10 . 1 . . . . 87 LEU N . 7127 1 970 . 1 1 88 88 ILE H H 1 9.00 0.02 . 1 . . . . 88 ILE H . 7127 1 971 . 1 1 88 88 ILE HA H 1 4.67 0.02 . 1 . . . . 88 ILE HA . 7127 1 972 . 1 1 88 88 ILE HB H 1 2.05 0.02 . 1 . . . . 88 ILE HB . 7127 1 973 . 1 1 88 88 ILE HG12 H 1 0.94 0.02 . 1 . . . . 88 ILE HG12 . 7127 1 974 . 1 1 88 88 ILE HG13 H 1 1.10 0.02 . 1 . . . . 88 ILE HG13 . 7127 1 975 . 1 1 88 88 ILE HG21 H 1 0.96 0.02 . 1 . . . . 88 ILE HG2 . 7127 1 976 . 1 1 88 88 ILE HG22 H 1 0.96 0.02 . 1 . . . . 88 ILE HG2 . 7127 1 977 . 1 1 88 88 ILE HG23 H 1 0.96 0.02 . 1 . . . . 88 ILE HG2 . 7127 1 978 . 1 1 88 88 ILE HD11 H 1 0.80 0.02 . 1 . . . . 88 ILE HD1 . 7127 1 979 . 1 1 88 88 ILE HD12 H 1 0.80 0.02 . 1 . . . . 88 ILE HD1 . 7127 1 980 . 1 1 88 88 ILE HD13 H 1 0.80 0.02 . 1 . . . . 88 ILE HD1 . 7127 1 981 . 1 1 88 88 ILE CA C 13 61.29 0.10 . 1 . . . . 88 ILE CA . 7127 1 982 . 1 1 88 88 ILE CB C 13 40.09 0.10 . 1 . . . . 88 ILE CB . 7127 1 983 . 1 1 88 88 ILE CG1 C 13 26.55 0.10 . 1 . . . . 88 ILE CG1 . 7127 1 984 . 1 1 88 88 ILE CG2 C 13 18.39 0.10 . 1 . . . . 88 ILE CG2 . 7127 1 985 . 1 1 88 88 ILE CD1 C 13 14.60 0.10 . 1 . . . . 88 ILE CD1 . 7127 1 986 . 1 1 88 88 ILE N N 15 121.65 0.10 . 1 . . . . 88 ILE N . 7127 1 987 . 1 1 89 89 LEU H H 1 7.34 0.02 . 1 . . . . 89 LEU H . 7127 1 988 . 1 1 89 89 LEU HA H 1 4.55 0.02 . 1 . . . . 89 LEU HA . 7127 1 989 . 1 1 89 89 LEU HB2 H 1 1.69 0.02 . 1 . . . . 89 LEU HB2 . 7127 1 990 . 1 1 89 89 LEU HB3 H 1 1.45 0.02 . 1 . . . . 89 LEU HB3 . 7127 1 991 . 1 1 89 89 LEU HG H 1 1.45 0.02 . 1 . . . . 89 LEU HG . 7127 1 992 . 1 1 89 89 LEU HD11 H 1 1.10 0.02 . 1 . . . . 89 LEU HD1 . 7127 1 993 . 1 1 89 89 LEU HD12 H 1 1.10 0.02 . 1 . . . . 89 LEU HD1 . 7127 1 994 . 1 1 89 89 LEU HD13 H 1 1.10 0.02 . 1 . . . . 89 LEU HD1 . 7127 1 995 . 1 1 89 89 LEU HD21 H 1 1.00 0.02 . 1 . . . . 89 LEU HD2 . 7127 1 996 . 1 1 89 89 LEU HD22 H 1 1.00 0.02 . 1 . . . . 89 LEU HD2 . 7127 1 997 . 1 1 89 89 LEU HD23 H 1 1.00 0.02 . 1 . . . . 89 LEU HD2 . 7127 1 998 . 1 1 89 89 LEU CA C 13 56.10 0.10 . 1 . . . . 89 LEU CA . 7127 1 999 . 1 1 89 89 LEU CB C 13 45.40 0.10 . 1 . . . . 89 LEU CB . 7127 1 1000 . 1 1 89 89 LEU CG C 13 27.61 0.10 . 1 . . . . 89 LEU CG . 7127 1 1001 . 1 1 89 89 LEU CD1 C 13 24.30 0.10 . 1 . . . . 89 LEU CD1 . 7127 1 1002 . 1 1 89 89 LEU CD2 C 13 26.55 0.10 . 1 . . . . 89 LEU CD2 . 7127 1 1003 . 1 1 89 89 LEU N N 15 122.67 0.10 . 1 . . . . 89 LEU N . 7127 1 1004 . 1 1 90 90 SER H H 1 8.47 0.02 . 1 . . . . 90 SER H . 7127 1 1005 . 1 1 90 90 SER HA H 1 5.60 0.02 . 1 . . . . 90 SER HA . 7127 1 1006 . 1 1 90 90 SER HB2 H 1 3.74 0.02 . 1 . . . . 90 SER HB2 . 7127 1 1007 . 1 1 90 90 SER HB3 H 1 3.74 0.02 . 1 . . . . 90 SER HB3 . 7127 1 1008 . 1 1 90 90 SER CA C 13 56.96 0.10 . 1 . . . . 90 SER CA . 7127 1 1009 . 1 1 90 90 SER CB C 13 65.14 0.10 . 1 . . . . 90 SER CB . 7127 1 1010 . 1 1 90 90 SER N N 15 120.54 0.10 . 1 . . . . 90 SER N . 7127 1 1011 . 1 1 91 91 THR H H 1 9.39 0.02 . 1 . . . . 91 THR H . 7127 1 1012 . 1 1 91 91 THR HA H 1 4.93 0.02 . 1 . . . . 91 THR HA . 7127 1 1013 . 1 1 91 91 THR HB H 1 4.10 0.02 . 1 . . . . 91 THR HB . 7127 1 1014 . 1 1 91 91 THR HG21 H 1 1.14 0.02 . 1 . . . . 91 THR HG2 . 7127 1 1015 . 1 1 91 91 THR HG22 H 1 1.14 0.02 . 1 . . . . 91 THR HG2 . 7127 1 1016 . 1 1 91 91 THR HG23 H 1 1.14 0.02 . 1 . . . . 91 THR HG2 . 7127 1 1017 . 1 1 91 91 THR CA C 13 59.65 0.10 . 1 . . . . 91 THR CA . 7127 1 1018 . 1 1 91 91 THR CB C 13 70.07 0.10 . 1 . . . . 91 THR CB . 7127 1 1019 . 1 1 91 91 THR CG2 C 13 18.82 0.10 . 1 . . . . 91 THR CG2 . 7127 1 1020 . 1 1 91 91 THR N N 15 121.88 0.10 . 1 . . . . 91 THR N . 7127 1 1021 . 1 1 92 92 SER H H 1 8.40 0.02 . 1 . . . . 92 SER H . 7127 1 1022 . 1 1 92 92 SER HA H 1 5.59 0.02 . 1 . . . . 92 SER HA . 7127 1 1023 . 1 1 92 92 SER HB2 H 1 3.77 0.02 . 1 . . . . 92 SER HB2 . 7127 1 1024 . 1 1 92 92 SER HB3 H 1 3.83 0.02 . 1 . . . . 92 SER HB3 . 7127 1 1025 . 1 1 92 92 SER CA C 13 56.71 0.10 . 1 . . . . 92 SER CA . 7127 1 1026 . 1 1 92 92 SER CB C 13 65.82 0.10 . 1 . . . . 92 SER CB . 7127 1 1027 . 1 1 92 92 SER N N 15 117.53 0.10 . 1 . . . . 92 SER N . 7127 1 1028 . 1 1 93 93 GLN H H 1 8.89 0.02 . 1 . . . . 93 GLN H . 7127 1 1029 . 1 1 93 93 GLN HA H 1 4.62 0.02 . 1 . . . . 93 GLN HA . 7127 1 1030 . 1 1 93 93 GLN HB2 H 1 1.31 0.02 . 1 . . . . 93 GLN HB2 . 7127 1 1031 . 1 1 93 93 GLN HB3 H 1 1.31 0.02 . 1 . . . . 93 GLN HB3 . 7127 1 1032 . 1 1 93 93 GLN HG2 H 1 1.66 0.02 . 1 . . . . 93 GLN HG2 . 7127 1 1033 . 1 1 93 93 GLN HG3 H 1 1.73 0.02 . 1 . . . . 93 GLN HG3 . 7127 1 1034 . 1 1 93 93 GLN HE21 H 1 7.03 0.02 . 1 . . . . 93 GLN HE21 . 7127 1 1035 . 1 1 93 93 GLN HE22 H 1 6.74 0.02 . 1 . . . . 93 GLN HE22 . 7127 1 1036 . 1 1 93 93 GLN CA C 13 54.76 0.10 . 1 . . . . 93 GLN CA . 7127 1 1037 . 1 1 93 93 GLN CB C 13 32.42 0.10 . 1 . . . . 93 GLN CB . 7127 1 1038 . 1 1 93 93 GLN CG C 13 33.42 0.10 . 1 . . . . 93 GLN CG . 7127 1 1039 . 1 1 93 93 GLN N N 15 121.89 0.10 . 1 . . . . 93 GLN N . 7127 1 1040 . 1 1 93 93 GLN NE2 N 15 111.59 0.10 . 1 . . . . 93 GLN NE2 . 7127 1 1041 . 1 1 94 94 THR H H 1 8.34 0.02 . 1 . . . . 94 THR H . 7127 1 1042 . 1 1 94 94 THR HA H 1 5.34 0.02 . 1 . . . . 94 THR HA . 7127 1 1043 . 1 1 94 94 THR HB H 1 4.23 0.02 . 1 . . . . 94 THR HB . 7127 1 1044 . 1 1 94 94 THR HG21 H 1 1.25 0.02 . 1 . . . . 94 THR HG2 . 7127 1 1045 . 1 1 94 94 THR HG22 H 1 1.25 0.02 . 1 . . . . 94 THR HG2 . 7127 1 1046 . 1 1 94 94 THR HG23 H 1 1.25 0.02 . 1 . . . . 94 THR HG2 . 7127 1 1047 . 1 1 94 94 THR CA C 13 60.95 0.10 . 1 . . . . 94 THR CA . 7127 1 1048 . 1 1 94 94 THR CB C 13 70.28 0.10 . 1 . . . . 94 THR CB . 7127 1 1049 . 1 1 94 94 THR CG2 C 13 21.41 0.10 . 1 . . . . 94 THR CG2 . 7127 1 1050 . 1 1 94 94 THR N N 15 118.95 0.10 . 1 . . . . 94 THR N . 7127 1 1051 . 1 1 95 95 THR H H 1 8.94 0.02 . 1 . . . . 95 THR H . 7127 1 1052 . 1 1 95 95 THR HA H 1 4.37 0.02 . 1 . . . . 95 THR HA . 7127 1 1053 . 1 1 95 95 THR HB H 1 4.69 0.02 . 1 . . . . 95 THR HB . 7127 1 1054 . 1 1 95 95 THR HG21 H 1 1.15 0.02 . 1 . . . . 95 THR HG2 . 7127 1 1055 . 1 1 95 95 THR HG22 H 1 1.15 0.02 . 1 . . . . 95 THR HG2 . 7127 1 1056 . 1 1 95 95 THR HG23 H 1 1.15 0.02 . 1 . . . . 95 THR HG2 . 7127 1 1057 . 1 1 95 95 THR CA C 13 62.22 0.10 . 1 . . . . 95 THR CA . 7127 1 1058 . 1 1 95 95 THR CB C 13 70.32 0.10 . 1 . . . . 95 THR CB . 7127 1 1059 . 1 1 95 95 THR CG2 C 13 23.98 0.10 . 1 . . . . 95 THR CG2 . 7127 1 1060 . 1 1 95 95 THR N N 15 122.85 0.10 . 1 . . . . 95 THR N . 7127 1 stop_ save_