data_5499 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5499 _Entry.Title ; The PDZ7 of Glutamate Receptor Interacting Protein Binds to its Target via a Novel Hydrophobic Surface Area ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-08-13 _Entry.Accession_date 2002-08-13 _Entry.Last_release_date 2003-02-20 _Entry.Original_release_date 2003-02-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Wei Feng . . . 5499 2 Jing-Song Fan . . . 5499 3 Ming Jiang . . . 5499 4 Ya-Wei Shi . . . 5499 5 Mingjie Zhang . . . 5499 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5499 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 584 5499 '13C chemical shifts' 369 5499 '15N chemical shifts' 84 5499 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 . . 2003-02-20 2002-08-12 original author . 5499 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5499 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22287446 _Citation.DOI . _Citation.PubMed_ID 12196542 _Citation.Full_citation . _Citation.Title ; PDZ7 of Glutamate Receptor Interacting Protein Binds to its Target via a Novel Hydrophobic Surface Area ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 277 _Citation.Journal_issue 43 _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 41140 _Citation.Page_last 41146 _Citation.Year 2002 _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 Wei Feng . . . 5499 1 2 Jing-Song Fan . . . 5499 1 3 Ming Jiang . . . 5499 1 4 Ya-Wei Shi . . . 5499 1 5 Mingjie Zhang . . . 5499 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PDZ domain' 5499 1 'Glutamate receptor interacting protein 1' 5499 1 'protein structure' 5499 1 'protein interaction' 5499 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_GRIP1 _Assembly.Sf_category assembly _Assembly.Sf_framecode GRIP1 _Assembly.Entry_ID 5499 _Assembly.ID 1 _Assembly.Name 'AMPA receptor interacting protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5499 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 'AMPA receptor interacting protein' 1 $PDZ7_of_GRIP1 . . . native . . . . . 5499 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'AMPA receptor interacting protein' system 5499 1 GRIP1 abbreviation 5499 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PDZ7_of_GRIP1 _Entity.Sf_category entity _Entity.Sf_framecode PDZ7_of_GRIP1 _Entity.Entry_ID 5499 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'the seventh PDZ domain of Glutamate Receptor Interacting Protein 1' _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 ; SPTPVELHKVTLYKDSGMED FGFSVADGLLEKGVYVKNIR PAGPGDLGGLKPYDRLLQVN HVRTRDFDCCLVVPLIAESG NKLDLVISRNP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 PDB 1M5Z . "The Pdz7 Of Glutamate Receptor Interacting Protein Binds To Its Target Via A Novel Hydrophobic Surface Area" . . . . . 100.00 91 100.00 100.00 3.49e-58 . . . . 5499 1 2 no DBJ BAC26668 . "unnamed protein product [Mus musculus]" . . . . . 100.00 632 97.80 98.90 1.36e-54 . . . . 5499 1 3 no EMBL CAB39895 . "GRIP1 protein [Homo sapiens]" . . . . . 100.00 849 98.90 98.90 1.17e-54 . . . . 5499 1 4 no GB AAP81257 . "glutamate receptor-interacting protein 1 [Mus musculus]" . . . . . 100.00 631 98.90 100.00 9.01e-56 . . . . 5499 1 5 no GB AAQ56581 . "glutamate receptor-interacting protein 1 [Mus musculus]" . . . . . 100.00 631 98.90 100.00 9.01e-56 . . . . 5499 1 6 no GB AAR08916 . "glutamate receptor interacting protein isoform c4-7 [Rattus norvegicus]" . . . . . 100.00 696 100.00 100.00 2.07e-55 . . . . 5499 1 7 no GB ABB46288 . "glutamate receptor interacting protein isoform e4-7 [Rattus norvegicus]" . . . . . 100.00 711 100.00 100.00 2.56e-55 . . . . 5499 1 8 no GB EDL24394 . "glutamate receptor interacting protein 1, isoform CRA_b [Mus musculus]" . . . . . 100.00 684 98.90 100.00 9.50e-56 . . . . 5499 1 9 no REF NP_001264224 . "glutamate receptor-interacting protein 1 isoform 7 [Mus musculus]" . . . . . 100.00 632 98.90 100.00 9.11e-56 . . . . 5499 1 10 no REF XP_002687693 . "PREDICTED: glutamate receptor-interacting protein 1 isoform X3, partial [Bos taurus]" . . . . . 100.00 597 97.80 97.80 1.53e-53 . . . . 5499 1 11 no REF XP_004007495 . "PREDICTED: glutamate receptor-interacting protein 1 [Ovis aries]" . . . . . 100.00 1165 97.80 97.80 1.59e-52 . . . . 5499 1 12 no REF XP_004330097 . "PREDICTED: glutamate receptor-interacting protein 1-like [Tursiops truncatus]" . . . . . 81.32 116 100.00 100.00 9.99e-46 . . . . 5499 1 13 no REF XP_005962414 . "PREDICTED: glutamate receptor-interacting protein 1-like, partial [Pantholops hodgsonii]" . . . . . 100.00 601 97.80 97.80 1.46e-53 . . . . 5499 1 14 no TPG DAA29720 . "TPA: glutamate receptor interacting protein 1-like [Bos taurus]" . . . . . 100.00 597 97.80 97.80 1.53e-53 . . . . 5499 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'the seventh PDZ domain of Glutamate Receptor Interacting Protein 1' common 5499 1 'PDZ7 of GRIP1' abbreviation 5499 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 16 SER . 5499 1 2 17 PRO . 5499 1 3 18 THR . 5499 1 4 19 PRO . 5499 1 5 20 VAL . 5499 1 6 21 GLU . 5499 1 7 22 LEU . 5499 1 8 23 HIS . 5499 1 9 24 LYS . 5499 1 10 25 VAL . 5499 1 11 26 THR . 5499 1 12 27 LEU . 5499 1 13 28 TYR . 5499 1 14 29 LYS . 5499 1 15 30 ASP . 5499 1 16 31 SER . 5499 1 17 32 GLY . 5499 1 18 33 MET . 5499 1 19 34 GLU . 5499 1 20 35 ASP . 5499 1 21 36 PHE . 5499 1 22 37 GLY . 5499 1 23 38 PHE . 5499 1 24 39 SER . 5499 1 25 40 VAL . 5499 1 26 41 ALA . 5499 1 27 42 ASP . 5499 1 28 43 GLY . 5499 1 29 44 LEU . 5499 1 30 45 LEU . 5499 1 31 46 GLU . 5499 1 32 47 LYS . 5499 1 33 48 GLY . 5499 1 34 49 VAL . 5499 1 35 50 TYR . 5499 1 36 51 VAL . 5499 1 37 52 LYS . 5499 1 38 53 ASN . 5499 1 39 54 ILE . 5499 1 40 55 ARG . 5499 1 41 56 PRO . 5499 1 42 57 ALA . 5499 1 43 58 GLY . 5499 1 44 59 PRO . 5499 1 45 60 GLY . 5499 1 46 61 ASP . 5499 1 47 62 LEU . 5499 1 48 63 GLY . 5499 1 49 64 GLY . 5499 1 50 65 LEU . 5499 1 51 66 LYS . 5499 1 52 67 PRO . 5499 1 53 68 TYR . 5499 1 54 69 ASP . 5499 1 55 70 ARG . 5499 1 56 71 LEU . 5499 1 57 72 LEU . 5499 1 58 73 GLN . 5499 1 59 74 VAL . 5499 1 60 75 ASN . 5499 1 61 76 HIS . 5499 1 62 77 VAL . 5499 1 63 78 ARG . 5499 1 64 79 THR . 5499 1 65 80 ARG . 5499 1 66 81 ASP . 5499 1 67 82 PHE . 5499 1 68 83 ASP . 5499 1 69 84 CYS . 5499 1 70 85 CYS . 5499 1 71 86 LEU . 5499 1 72 87 VAL . 5499 1 73 88 VAL . 5499 1 74 89 PRO . 5499 1 75 90 LEU . 5499 1 76 91 ILE . 5499 1 77 92 ALA . 5499 1 78 93 GLU . 5499 1 79 94 SER . 5499 1 80 95 GLY . 5499 1 81 96 ASN . 5499 1 82 97 LYS . 5499 1 83 98 LEU . 5499 1 84 99 ASP . 5499 1 85 100 LEU . 5499 1 86 101 VAL . 5499 1 87 102 ILE . 5499 1 88 103 SER . 5499 1 89 104 ARG . 5499 1 90 105 ASN . 5499 1 91 106 PRO . 5499 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 . SER 1 1 5499 1 . PRO 2 2 5499 1 . THR 3 3 5499 1 . PRO 4 4 5499 1 . VAL 5 5 5499 1 . GLU 6 6 5499 1 . LEU 7 7 5499 1 . HIS 8 8 5499 1 . LYS 9 9 5499 1 . VAL 10 10 5499 1 . THR 11 11 5499 1 . LEU 12 12 5499 1 . TYR 13 13 5499 1 . LYS 14 14 5499 1 . ASP 15 15 5499 1 . SER 16 16 5499 1 . GLY 17 17 5499 1 . MET 18 18 5499 1 . GLU 19 19 5499 1 . ASP 20 20 5499 1 . PHE 21 21 5499 1 . GLY 22 22 5499 1 . PHE 23 23 5499 1 . SER 24 24 5499 1 . VAL 25 25 5499 1 . ALA 26 26 5499 1 . ASP 27 27 5499 1 . GLY 28 28 5499 1 . LEU 29 29 5499 1 . LEU 30 30 5499 1 . GLU 31 31 5499 1 . LYS 32 32 5499 1 . GLY 33 33 5499 1 . VAL 34 34 5499 1 . TYR 35 35 5499 1 . VAL 36 36 5499 1 . LYS 37 37 5499 1 . ASN 38 38 5499 1 . ILE 39 39 5499 1 . ARG 40 40 5499 1 . PRO 41 41 5499 1 . ALA 42 42 5499 1 . GLY 43 43 5499 1 . PRO 44 44 5499 1 . GLY 45 45 5499 1 . ASP 46 46 5499 1 . LEU 47 47 5499 1 . GLY 48 48 5499 1 . GLY 49 49 5499 1 . LEU 50 50 5499 1 . LYS 51 51 5499 1 . PRO 52 52 5499 1 . TYR 53 53 5499 1 . ASP 54 54 5499 1 . ARG 55 55 5499 1 . LEU 56 56 5499 1 . LEU 57 57 5499 1 . GLN 58 58 5499 1 . VAL 59 59 5499 1 . ASN 60 60 5499 1 . HIS 61 61 5499 1 . VAL 62 62 5499 1 . ARG 63 63 5499 1 . THR 64 64 5499 1 . ARG 65 65 5499 1 . ASP 66 66 5499 1 . PHE 67 67 5499 1 . ASP 68 68 5499 1 . CYS 69 69 5499 1 . CYS 70 70 5499 1 . LEU 71 71 5499 1 . VAL 72 72 5499 1 . VAL 73 73 5499 1 . PRO 74 74 5499 1 . LEU 75 75 5499 1 . ILE 76 76 5499 1 . ALA 77 77 5499 1 . GLU 78 78 5499 1 . SER 79 79 5499 1 . GLY 80 80 5499 1 . ASN 81 81 5499 1 . LYS 82 82 5499 1 . LEU 83 83 5499 1 . ASP 84 84 5499 1 . LEU 85 85 5499 1 . VAL 86 86 5499 1 . ILE 87 87 5499 1 . SER 88 88 5499 1 . ARG 89 89 5499 1 . ASN 90 90 5499 1 . PRO 91 91 5499 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 5499 _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 $PDZ7_of_GRIP1 . 10116 . . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5499 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 5499 _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 $PDZ7_of_GRIP1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5499 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5499 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'the seventh PDZ domain of Glutamate Receptor Interacting Protein 1' . . . 1 $PDZ7_of_GRIP1 . . 1.0 . . mM . . . . 5499 1 2 D2O . . . . . . . 99.9 . . % . . . . 5499 1 3 'potassium phosphate buffer' . . . . . . . 100 . . mM . . . . 5499 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5499 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'the seventh PDZ domain of Glutamate Receptor Interacting Protein 1' '[U-100% 15N]' . . 1 $PDZ7_of_GRIP1 . . 1 . . mM . . . . 5499 2 2 H2O . . . . . . . 90 . . % . . . . 5499 2 3 D20 . . . . . . . 10 . . % . . . . 5499 2 4 'potassium phosphate buffer' . . . . . . . 100 . . mM . . . . 5499 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5499 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'the seventh PDZ domain of Glutamate Receptor Interacting Protein 1' '[U-100% 15N;U-100% 13C]' . . 1 $PDZ7_of_GRIP1 . . 1.0 . . mM . . . . 5499 3 2 D2O . . . . . . . 99.9 . . % . . . . 5499 3 3 'potassium phosphate buffer' . . . . . . . 100 . . mM . . . . 5499 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5499 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'the seventh PDZ domain of Glutamate Receptor Interacting Protein 1' '[U-100% 15N; U-100% 13C]' . . 1 $PDZ7_of_GRIP1 . . 1.0 . . mM . . . . 5499 4 2 H2O . . . . . . . 90 . . % . . . . 5499 4 3 D2O . . . . . . . 10 . . % . . . . 5499 4 4 'potassium phosphate buffer' . . . . . . . 100 . . mM . . . . 5499 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5499 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 na 5499 1 temperature 298 1 K 5499 1 'ionic strength' 100 . mM 5499 1 pressure 1 . atm 5499 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5499 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5499 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5499 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5499 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 750 . . . 5499 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5499 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5499 1 2 '3D 15N-separated_NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5499 1 3 '3D 13C-separated_NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5499 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5499 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5499 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated_NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5499 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 13C-separated_NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5499 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5499 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5499 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5499 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5499 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' . . . 5499 1 2 '3D 15N-separated_NOESY' . . . 5499 1 3 '3D 13C-separated_NOESY' . . . 5499 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 SER H H 1 8.1660 . . . . . . . . . . . 5499 1 2 . 1 1 1 1 SER N N 15 117.500 . . . . . . . . . . . 5499 1 3 . 1 1 1 1 SER CA C 13 56.9800 . . . . . . . . . . . 5499 1 4 . 1 1 1 1 SER CB C 13 64.1800 . . . . . . . . . . . 5499 1 5 . 1 1 1 1 SER HA H 1 4.754 . . . . . . . . . . . 5499 1 6 . 1 1 1 1 SER HB2 H 1 3.811 . . . . . . . . . . . 5499 1 7 . 1 1 1 1 SER HB3 H 1 3.147 . . . . . . . . . . . 5499 1 8 . 1 1 2 2 PRO CA C 13 64.0600 . . . . . . . . . . . 5499 1 9 . 1 1 2 2 PRO CB C 13 32.9400 . . . . . . . . . . . 5499 1 10 . 1 1 2 2 PRO C C 13 177.200 . . . . . . . . . . . 5499 1 11 . 1 1 3 3 THR H H 1 8.2700 . . . . . . . . . . . 5499 1 12 . 1 1 3 3 THR N N 15 118.300 . . . . . . . . . . . 5499 1 13 . 1 1 3 3 THR CA C 13 60.5200 . . . . . . . . . . . 5499 1 14 . 1 1 3 3 THR CB C 13 70.3400 . . . . . . . . . . . 5499 1 15 . 1 1 3 3 THR CG2 C 13 22.4100 . . . . . . . . . . . 5499 1 16 . 1 1 3 3 THR HA H 1 4.5620 . . . . . . . . . . . 5499 1 17 . 1 1 3 3 THR HB H 1 4.1300 . . . . . . . . . . . 5499 1 18 . 1 1 3 3 THR HG21 H 1 1.2690 . . . . . . . . . . . 5499 1 19 . 1 1 3 3 THR HG22 H 1 1.2690 . . . . . . . . . . . 5499 1 20 . 1 1 3 3 THR HG23 H 1 1.2690 . . . . . . . . . . . 5499 1 21 . 1 1 4 4 PRO CA C 13 63.8700 . . . . . . . . . . . 5499 1 22 . 1 1 4 4 PRO CB C 13 32.7500 . . . . . . . . . . . 5499 1 23 . 1 1 4 4 PRO C C 13 176.600 . . . . . . . . . . . 5499 1 24 . 1 1 4 4 PRO CG C 13 28.0900 . . . . . . . . . . . 5499 1 25 . 1 1 4 4 PRO CD C 13 51.7600 . . . . . . . . . . . 5499 1 26 . 1 1 4 4 PRO HA H 1 4.4850 . . . . . . . . . . . 5499 1 27 . 1 1 4 4 PRO HB2 H 1 1.9220 . . . . . . . . . . . 5499 1 28 . 1 1 4 4 PRO HB3 H 1 2.2830 . . . . . . . . . . . 5499 1 29 . 1 1 4 4 PRO HG2 H 1 2.0030 . . . . . . . . . . . 5499 1 30 . 1 1 4 4 PRO HG3 H 1 2.0420 . . . . . . . . . . . 5499 1 31 . 1 1 4 4 PRO HD2 H 1 3.7080 . . . . . . . . . . . 5499 1 32 . 1 1 4 4 PRO HD3 H 1 3.8570 . . . . . . . . . . . 5499 1 33 . 1 1 5 5 VAL H H 1 7.9480 . . . . . . . . . . . 5499 1 34 . 1 1 5 5 VAL N N 15 117.800 . . . . . . . . . . . 5499 1 35 . 1 1 5 5 VAL C C 13 175.800 . . . . . . . . . . . 5499 1 36 . 1 1 5 5 VAL CA C 13 62.0100 . . . . . . . . . . . 5499 1 37 . 1 1 5 5 VAL CB C 13 34.6100 . . . . . . . . . . . 5499 1 38 . 1 1 5 5 VAL CG1 C 13 20.6400 . . . . . . . . . . . 5499 1 39 . 1 1 5 5 VAL CG2 C 13 22.1300 . . . . . . . . . . . 5499 1 40 . 1 1 5 5 VAL HA H 1 4.4200 . . . . . . . . . . . 5499 1 41 . 1 1 5 5 VAL HB H 1 2.0400 . . . . . . . . . . . 5499 1 42 . 1 1 5 5 VAL HG11 H 1 0.8940 . . . . . . . . . . . 5499 1 43 . 1 1 5 5 VAL HG12 H 1 0.8940 . . . . . . . . . . . 5499 1 44 . 1 1 5 5 VAL HG13 H 1 0.8940 . . . . . . . . . . . 5499 1 45 . 1 1 5 5 VAL HG21 H 1 0.9270 . . . . . . . . . . . 5499 1 46 . 1 1 5 5 VAL HG22 H 1 0.9270 . . . . . . . . . . . 5499 1 47 . 1 1 5 5 VAL HG23 H 1 0.9270 . . . . . . . . . . . 5499 1 48 . 1 1 6 6 GLU H H 1 8.8240 . . . . . . . . . . . 5499 1 49 . 1 1 6 6 GLU N N 15 123.900 . . . . . . . . . . . 5499 1 50 . 1 1 6 6 GLU C C 13 175.400 . . . . . . . . . . . 5499 1 51 . 1 1 6 6 GLU CA C 13 55.4900 . . . . . . . . . . . 5499 1 52 . 1 1 6 6 GLU CB C 13 33.4100 . . . . . . . . . . . 5499 1 53 . 1 1 6 6 GLU CG C 13 36.5100 . . . . . . . . . . . 5499 1 54 . 1 1 6 6 GLU HA H 1 4.50 . . . . . . . . . . . 5499 1 55 . 1 1 6 6 GLU HB2 H 1 1.9320 . . . . . . . . . . . 5499 1 56 . 1 1 6 6 GLU HG2 H 1 2.1220 . . . . . . . . . . . 5499 1 57 . 1 1 6 6 GLU HG3 H 1 2.2180 . . . . . . . . . . . 5499 1 58 . 1 1 7 7 LEU H H 1 8.2640 . . . . . . . . . . . 5499 1 59 . 1 1 7 7 LEU N N 15 124.600 . . . . . . . . . . . 5499 1 60 . 1 1 7 7 LEU C C 13 177.400 . . . . . . . . . . . 5499 1 61 . 1 1 7 7 LEU CA C 13 54.3700 . . . . . . . . . . . 5499 1 62 . 1 1 7 7 LEU CB C 13 44.4900 . . . . . . . . . . . 5499 1 63 . 1 1 7 7 LEU CG C 13 28.6200 . . . . . . . . . . . 5499 1 64 . 1 1 7 7 LEU CD1 C 13 25.1100 . . . . . . . . . . . 5499 1 65 . 1 1 7 7 LEU CD2 C 13 25.6700 . . . . . . . . . . . 5499 1 66 . 1 1 7 7 LEU HA H 1 5.2700 . . . . . . . . . . . 5499 1 67 . 1 1 7 7 LEU HB2 H 1 1.2380 . . . . . . . . . . . 5499 1 68 . 1 1 7 7 LEU HB3 H 1 1.5300 . . . . . . . . . . . 5499 1 69 . 1 1 7 7 LEU HG H 1 1.5300 . . . . . . . . . . . 5499 1 70 . 1 1 7 7 LEU HD11 H 1 0.6820 . . . . . . . . . . . 5499 1 71 . 1 1 7 7 LEU HD12 H 1 0.6820 . . . . . . . . . . . 5499 1 72 . 1 1 7 7 LEU HD13 H 1 0.6820 . . . . . . . . . . . 5499 1 73 . 1 1 7 7 LEU HD21 H 1 0.7560 . . . . . . . . . . . 5499 1 74 . 1 1 7 7 LEU HD22 H 1 0.7560 . . . . . . . . . . . 5499 1 75 . 1 1 7 7 LEU HD23 H 1 0.7560 . . . . . . . . . . . 5499 1 76 . 1 1 8 8 HIS H H 1 8.9610 . . . . . . . . . . . 5499 1 77 . 1 1 8 8 HIS N N 15 119.300 . . . . . . . . . . . 5499 1 78 . 1 1 8 8 HIS C C 13 173.500 . . . . . . . . . . . 5499 1 79 . 1 1 8 8 HIS CA C 13 55.4900 . . . . . . . . . . . 5499 1 80 . 1 1 8 8 HIS CB C 13 33.6800 . . . . . . . . . . . 5499 1 81 . 1 1 8 8 HIS HA H 1 4.7390 . . . . . . . . . . . 5499 1 82 . 1 1 8 8 HIS HB2 H 1 2.5850 . . . . . . . . . . . 5499 1 83 . 1 1 8 8 HIS HB3 H 1 2.8810 . . . . . . . . . . . 5499 1 84 . 1 1 9 9 LYS H H 1 8.8280 . . . . . . . . . . . 5499 1 85 . 1 1 9 9 LYS N N 15 125.000 . . . . . . . . . . . 5499 1 86 . 1 1 9 9 LYS C C 13 176.200 . . . . . . . . . . . 5499 1 87 . 1 1 9 9 LYS CA C 13 56.1600 . . . . . . . . . . . 5499 1 88 . 1 1 9 9 LYS CB C 13 33.5000 . . . . . . . . . . . 5499 1 89 . 1 1 9 9 LYS CG C 13 25.8800 . . . . . . . . . . . 5499 1 90 . 1 1 9 9 LYS CD C 13 29.9200 . . . . . . . . . . . 5499 1 91 . 1 1 9 9 LYS CE C 13 42.33 . . . . . . . . . . . 5499 1 92 . 1 1 9 9 LYS HA H 1 5.0240 . . . . . . . . . . . 5499 1 93 . 1 1 9 9 LYS HB2 H 1 1.7130 . . . . . . . . . . . 5499 1 94 . 1 1 9 9 LYS HB3 H 1 1.8310 . . . . . . . . . . . 5499 1 95 . 1 1 9 9 LYS HD2 H 1 1.6100 . . . . . . . . . . . 5499 1 96 . 1 1 9 9 LYS HG2 H 1 1.2910 . . . . . . . . . . . 5499 1 97 . 1 1 9 9 LYS HG3 H 1 1.4300 . . . . . . . . . . . 5499 1 98 . 1 1 9 9 LYS HE2 H 1 2.8500 . . . . . . . . . . . 5499 1 99 . 1 1 10 10 VAL H H 1 8.7580 . . . . . . . . . . . 5499 1 100 . 1 1 10 10 VAL N N 15 124.800 . . . . . . . . . . . 5499 1 101 . 1 1 10 10 VAL C C 13 174.200 . . . . . . . . . . . 5499 1 102 . 1 1 10 10 VAL CA C 13 61.0800 . . . . . . . . . . . 5499 1 103 . 1 1 10 10 VAL CB C 13 36.6600 . . . . . . . . . . . 5499 1 104 . 1 1 10 10 VAL CG1 C 13 21.0100 . . . . . . . . . . . 5499 1 105 . 1 1 10 10 VAL CG2 C 13 21.9400 . . . . . . . . . . . 5499 1 106 . 1 1 10 10 VAL HA H 1 4.5200 . . . . . . . . . . . 5499 1 107 . 1 1 10 10 VAL HB H 1 1.7800 . . . . . . . . . . . 5499 1 108 . 1 1 10 10 VAL HG11 H 1 0.6440 . . . . . . . . . . . 5499 1 109 . 1 1 10 10 VAL HG12 H 1 0.6440 . . . . . . . . . . . 5499 1 110 . 1 1 10 10 VAL HG13 H 1 0.6440 . . . . . . . . . . . 5499 1 111 . 1 1 10 10 VAL HG21 H 1 0.6810 . . . . . . . . . . . 5499 1 112 . 1 1 10 10 VAL HG22 H 1 0.6810 . . . . . . . . . . . 5499 1 113 . 1 1 10 10 VAL HG23 H 1 0.6810 . . . . . . . . . . . 5499 1 114 . 1 1 11 11 THR H H 1 8.5920 . . . . . . . . . . . 5499 1 115 . 1 1 11 11 THR N N 15 123.800 . . . . . . . . . . . 5499 1 116 . 1 1 11 11 THR C C 13 173.300 . . . . . . . . . . . 5499 1 117 . 1 1 11 11 THR CA C 13 62.3800 . . . . . . . . . . . 5499 1 118 . 1 1 11 11 THR CB C 13 71.8400 . . . . . . . . . . . 5499 1 119 . 1 1 11 11 THR CG2 C 13 22.5000 . . . . . . . . . . . 5499 1 120 . 1 1 11 11 THR HA H 1 5.1320 . . . . . . . . . . . 5499 1 121 . 1 1 11 11 THR HB H 1 3.7040 . . . . . . . . . . . 5499 1 122 . 1 1 11 11 THR HG21 H 1 0.8260 . . . . . . . . . . . 5499 1 123 . 1 1 11 11 THR HG22 H 1 0.8260 . . . . . . . . . . . 5499 1 124 . 1 1 11 11 THR HG23 H 1 0.8260 . . . . . . . . . . . 5499 1 125 . 1 1 12 12 LEU H H 1 9.1220 . . . . . . . . . . . 5499 1 126 . 1 1 12 12 LEU N N 15 125.000 . . . . . . . . . . . 5499 1 127 . 1 1 12 12 LEU C C 13 175.300 . . . . . . . . . . . 5499 1 128 . 1 1 12 12 LEU CA C 13 52.6900 . . . . . . . . . . . 5499 1 129 . 1 1 12 12 LEU CB C 13 45.6100 . . . . . . . . . . . 5499 1 130 . 1 1 12 12 LEU CG C 13 27.9000 . . . . . . . . . . . 5499 1 131 . 1 1 12 12 LEU CD1 C 13 27.9000 . . . . . . . . . . . 5499 1 132 . 1 1 12 12 LEU CD2 C 13 24.7400 . . . . . . . . . . . 5499 1 133 . 1 1 12 12 LEU HA H 1 4.8560 . . . . . . . . . . . 5499 1 134 . 1 1 12 12 LEU HB2 H 1 1.3360 . . . . . . . . . . . 5499 1 135 . 1 1 12 12 LEU HB3 H 1 1.6290 . . . . . . . . . . . 5499 1 136 . 1 1 12 12 LEU HG H 1 1.4760 . . . . . . . . . . . 5499 1 137 . 1 1 12 12 LEU HD11 H 1 0.7690 . . . . . . . . . . . 5499 1 138 . 1 1 12 12 LEU HD12 H 1 0.7690 . . . . . . . . . . . 5499 1 139 . 1 1 12 12 LEU HD13 H 1 0.7690 . . . . . . . . . . . 5499 1 140 . 1 1 12 12 LEU HD21 H 1 0.7990 . . . . . . . . . . . 5499 1 141 . 1 1 12 12 LEU HD22 H 1 0.7990 . . . . . . . . . . . 5499 1 142 . 1 1 12 12 LEU HD23 H 1 0.7990 . . . . . . . . . . . 5499 1 143 . 1 1 13 13 TYR H H 1 8.2350 . . . . . . . . . . . 5499 1 144 . 1 1 13 13 TYR N N 15 118.400 . . . . . . . . . . . 5499 1 145 . 1 1 13 13 TYR C C 13 175.400 . . . . . . . . . . . 5499 1 146 . 1 1 13 13 TYR CA C 13 57.3500 . . . . . . . . . . . 5499 1 147 . 1 1 13 13 TYR CB C 13 42.6300 . . . . . . . . . . . 5499 1 148 . 1 1 13 13 TYR HA H 1 5.5420 . . . . . . . . . . . 5499 1 149 . 1 1 13 13 TYR HB2 H 1 2.6650 . . . . . . . . . . . 5499 1 150 . 1 1 13 13 TYR HB3 H 1 3.1070 . . . . . . . . . . . 5499 1 151 . 1 1 13 13 TYR HD2 H 1 7.2030 . . . . . . . . . . . 5499 1 152 . 1 1 13 13 TYR HE1 H 1 6.7530 . . . . . . . . . . . 5499 1 153 . 1 1 14 14 LYS H H 1 8.7170 . . . . . . . . . . . 5499 1 154 . 1 1 14 14 LYS N N 15 120.200 . . . . . . . . . . . 5499 1 155 . 1 1 14 14 LYS C C 13 175.100 . . . . . . . . . . . 5499 1 156 . 1 1 14 14 LYS CA C 13 55.1100 . . . . . . . . . . . 5499 1 157 . 1 1 14 14 LYS CB C 13 36.1000 . . . . . . . . . . . 5499 1 158 . 1 1 14 14 LYS CG C 13 23.0600 . . . . . . . . . . . 5499 1 159 . 1 1 14 14 LYS CD C 13 29.5800 . . . . . . . . . . . 5499 1 160 . 1 1 14 14 LYS CE C 13 42.6300 . . . . . . . . . . . 5499 1 161 . 1 1 14 14 LYS HA H 1 4.6310 . . . . . . . . . . . 5499 1 162 . 1 1 14 14 LYS HB2 H 1 1.2010 . . . . . . . . . . . 5499 1 163 . 1 1 14 14 LYS HB3 H 1 1.6060 . . . . . . . . . . . 5499 1 164 . 1 1 14 14 LYS HD2 H 1 -0.2430 . . . . . . . . . . . 5499 1 165 . 1 1 14 14 LYS HD3 H 1 0.6980 . . . . . . . . . . . 5499 1 166 . 1 1 14 14 LYS HG2 H 1 0.7820 . . . . . . . . . . . 5499 1 167 . 1 1 14 14 LYS HG3 H 1 0.8470 . . . . . . . . . . . 5499 1 168 . 1 1 14 14 LYS HE2 H 1 2.5290 . . . . . . . . . . . 5499 1 169 . 1 1 14 14 LYS HE3 H 1 2.3080 . . . . . . . . . . . 5499 1 170 . 1 1 15 15 ASP H H 1 7.9720 . . . . . . . . . . . 5499 1 171 . 1 1 15 15 ASP N N 15 120.900 . . . . . . . . . . . 5499 1 172 . 1 1 15 15 ASP C C 13 177.400 . . . . . . . . . . . 5499 1 173 . 1 1 15 15 ASP CA C 13 54.5600 . . . . . . . . . . . 5499 1 174 . 1 1 15 15 ASP CB C 13 43.3700 . . . . . . . . . . . 5499 1 175 . 1 1 15 15 ASP HA H 1 4.7300 . . . . . . . . . . . 5499 1 176 . 1 1 15 15 ASP HB2 H 1 2.6700 . . . . . . . . . . . 5499 1 177 . 1 1 16 16 SER H H 1 8.3740 . . . . . . . . . . . 5499 1 178 . 1 1 16 16 SER N N 15 115.500 . . . . . . . . . . . 5499 1 179 . 1 1 16 16 SER C C 13 175.800 . . . . . . . . . . . 5499 1 180 . 1 1 16 16 SER CA C 13 60.3300 . . . . . . . . . . . 5499 1 181 . 1 1 16 16 SER CB C 13 64.4600 . . . . . . . . . . . 5499 1 182 . 1 1 16 16 SER HA H 1 4.3300 . . . . . . . . . . . 5499 1 183 . 1 1 16 16 SER HB2 H 1 3.8710 . . . . . . . . . . . 5499 1 184 . 1 1 16 16 SER HB3 H 1 3.9060 . . . . . . . . . . . 5499 1 185 . 1 1 17 17 GLY H H 1 8.7670 . . . . . . . . . . . 5499 1 186 . 1 1 17 17 GLY N N 15 110.900 . . . . . . . . . . . 5499 1 187 . 1 1 17 17 GLY C C 13 174.700 . . . . . . . . . . . 5499 1 188 . 1 1 17 17 GLY CA C 13 46.1700 . . . . . . . . . . . 5499 1 189 . 1 1 17 17 GLY HA2 H 1 3.8600 . . . . . . . . . . . 5499 1 190 . 1 1 18 18 MET H H 1 7.7720 . . . . . . . . . . . 5499 1 191 . 1 1 18 18 MET N N 15 119.700 . . . . . . . . . . . 5499 1 192 . 1 1 18 18 MET C C 13 176.700 . . . . . . . . . . . 5499 1 193 . 1 1 18 18 MET CA C 13 55.8600 . . . . . . . . . . . 5499 1 194 . 1 1 18 18 MET CB C 13 33.8700 . . . . . . . . . . . 5499 1 195 . 1 1 18 18 MET CG C 13 33.1700 . . . . . . . . . . . 5499 1 196 . 1 1 18 18 MET HA H 1 4.4620 . . . . . . . . . . . 5499 1 197 . 1 1 18 18 MET HB2 H 1 1.9890 . . . . . . . . . . . 5499 1 198 . 1 1 18 18 MET HB3 H 1 2.1220 . . . . . . . . . . . 5499 1 199 . 1 1 18 18 MET HG2 H 1 2.6150 . . . . . . . . . . . 5499 1 200 . 1 1 19 19 GLU H H 1 8.3840 . . . . . . . . . . . 5499 1 201 . 1 1 19 19 GLU N N 15 121.500 . . . . . . . . . . . 5499 1 202 . 1 1 19 19 GLU C C 13 175.900 . . . . . . . . . . . 5499 1 203 . 1 1 19 19 GLU CA C 13 57.5400 . . . . . . . . . . . 5499 1 204 . 1 1 19 19 GLU CB C 13 31.0700 . . . . . . . . . . . 5499 1 205 . 1 1 19 19 GLU CG C 13 36.8500 . . . . . . . . . . . 5499 1 206 . 1 1 19 19 GLU HA H 1 4.1590 . . . . . . . . . . . 5499 1 207 . 1 1 19 19 GLU HB2 H 1 1.9230 . . . . . . . . . . . 5499 1 208 . 1 1 19 19 GLU HB3 H 1 2.082 . . . . . . . . . . . 5499 1 209 . 1 1 19 19 GLU HG2 H 1 2.239 . . . . . . . . . . . 5499 1 210 . 1 1 20 20 ASP H H 1 7.6860 . . . . . . . . . . . 5499 1 211 . 1 1 20 20 ASP N N 15 116.600 . . . . . . . . . . . 5499 1 212 . 1 1 20 20 ASP C C 13 175.100 . . . . . . . . . . . 5499 1 213 . 1 1 20 20 ASP CA C 13 53.0600 . . . . . . . . . . . 5499 1 214 . 1 1 20 20 ASP CB C 13 43.3700 . . . . . . . . . . . 5499 1 215 . 1 1 20 20 ASP HA H 1 4.5450 . . . . . . . . . . . 5499 1 216 . 1 1 20 20 ASP HB2 H 1 2.6660 . . . . . . . . . . . 5499 1 217 . 1 1 20 20 ASP HB3 H 1 3.1820 . . . . . . . . . . . 5499 1 218 . 1 1 21 21 PHE H H 1 8.6070 . . . . . . . . . . . 5499 1 219 . 1 1 21 21 PHE N N 15 112.900 . . . . . . . . . . . 5499 1 220 . 1 1 21 21 PHE C C 13 177.500 . . . . . . . . . . . 5499 1 221 . 1 1 21 21 PHE CA C 13 59.9600 . . . . . . . . . . . 5499 1 222 . 1 1 21 21 PHE CB C 13 40.5800 . . . . . . . . . . . 5499 1 223 . 1 1 21 21 PHE HA H 1 4.4230 . . . . . . . . . . . 5499 1 224 . 1 1 21 21 PHE HB2 H 1 2.7070 . . . . . . . . . . . 5499 1 225 . 1 1 21 21 PHE HB3 H 1 3.5700 . . . . . . . . . . . 5499 1 226 . 1 1 21 21 PHE HD2 H 1 7.0510 . . . . . . . . . . . 5499 1 227 . 1 1 21 21 PHE HE1 H 1 7.1640 . . . . . . . . . . . 5499 1 228 . 1 1 22 22 GLY H H 1 9.2350 . . . . . . . . . . . 5499 1 229 . 1 1 22 22 GLY N N 15 109.100 . . . . . . . . . . . 5499 1 230 . 1 1 22 22 GLY C C 13 176.300 . . . . . . . . . . . 5499 1 231 . 1 1 22 22 GLY CA C 13 48.7800 . . . . . . . . . . . 5499 1 232 . 1 1 22 22 GLY HA2 H 1 3.7000 . . . . . . . . . . . 5499 1 233 . 1 1 23 23 PHE H H 1 7.4270 . . . . . . . . . . . 5499 1 234 . 1 1 23 23 PHE N N 15 115.400 . . . . . . . . . . . 5499 1 235 . 1 1 23 23 PHE C C 13 172.600 . . . . . . . . . . . 5499 1 236 . 1 1 23 23 PHE CA C 13 57.1600 . . . . . . . . . . . 5499 1 237 . 1 1 23 23 PHE CB C 13 41.7000 . . . . . . . . . . . 5499 1 238 . 1 1 23 23 PHE HA H 1 5.4100 . . . . . . . . . . . 5499 1 239 . 1 1 23 23 PHE HB2 H 1 3.0070 . . . . . . . . . . . 5499 1 240 . 1 1 23 23 PHE HB3 H 1 3.1590 . . . . . . . . . . . 5499 1 241 . 1 1 23 23 PHE HD2 H 1 6.9430 . . . . . . . . . . . 5499 1 242 . 1 1 23 23 PHE HE1 H 1 6.8120 . . . . . . . . . . . 5499 1 243 . 1 1 23 23 PHE HZ H 1 6.7570 . . . . . . . . . . . 5499 1 244 . 1 1 24 24 SER H H 1 8.8460 . . . . . . . . . . . 5499 1 245 . 1 1 24 24 SER N N 15 117.400 . . . . . . . . . . . 5499 1 246 . 1 1 24 24 SER C C 13 174.300 . . . . . . . . . . . 5499 1 247 . 1 1 24 24 SER CA C 13 56.2300 . . . . . . . . . . . 5499 1 248 . 1 1 24 24 SER CB C 13 66.8600 . . . . . . . . . . . 5499 1 249 . 1 1 24 24 SER HA H 1 4.9100 . . . . . . . . . . . 5499 1 250 . 1 1 24 24 SER HB2 H 1 3.8930 . . . . . . . . . . . 5499 1 251 . 1 1 24 24 SER HB3 H 1 3.9490 . . . . . . . . . . . 5499 1 252 . 1 1 25 25 VAL H H 1 8.4350 . . . . . . . . . . . 5499 1 253 . 1 1 25 25 VAL N N 15 113.800 . . . . . . . . . . . 5499 1 254 . 1 1 25 25 VAL C C 13 175.000 . . . . . . . . . . . 5499 1 255 . 1 1 25 25 VAL CA C 13 59.4000 . . . . . . . . . . . 5499 1 256 . 1 1 25 25 VAL CB C 13 36.4600 . . . . . . . . . . . 5499 1 257 . 1 1 25 25 VAL CG1 C 13 19.6200 . . . . . . . . . . . 5499 1 258 . 1 1 25 25 VAL CG2 C 13 24.0800 . . . . . . . . . . . 5499 1 259 . 1 1 25 25 VAL HA H 1 5.5070 . . . . . . . . . . . 5499 1 260 . 1 1 25 25 VAL HB H 1 2.1030 . . . . . . . . . . . 5499 1 261 . 1 1 25 25 VAL HG11 H 1 0.7660 . . . . . . . . . . . 5499 1 262 . 1 1 25 25 VAL HG12 H 1 0.7660 . . . . . . . . . . . 5499 1 263 . 1 1 25 25 VAL HG13 H 1 0.7660 . . . . . . . . . . . 5499 1 264 . 1 1 25 25 VAL HG21 H 1 0.8540 . . . . . . . . . . . 5499 1 265 . 1 1 25 25 VAL HG22 H 1 0.8540 . . . . . . . . . . . 5499 1 266 . 1 1 25 25 VAL HG23 H 1 0.8540 . . . . . . . . . . . 5499 1 267 . 1 1 26 26 ALA H H 1 9.1070 . . . . . . . . . . . 5499 1 268 . 1 1 26 26 ALA N N 15 123.900 . . . . . . . . . . . 5499 1 269 . 1 1 26 26 ALA C C 13 176.300 . . . . . . . . . . . 5499 1 270 . 1 1 26 26 ALA CA C 13 51.7600 . . . . . . . . . . . 5499 1 271 . 1 1 26 26 ALA CB C 13 23.9900 . . . . . . . . . . . 5499 1 272 . 1 1 26 26 ALA HA H 1 4.7700 . . . . . . . . . . . 5499 1 273 . 1 1 26 26 ALA HB1 H 1 1.3140 . . . . . . . . . . . 5499 1 274 . 1 1 26 26 ALA HB2 H 1 1.3140 . . . . . . . . . . . 5499 1 275 . 1 1 26 26 ALA HB3 H 1 1.3140 . . . . . . . . . . . 5499 1 276 . 1 1 27 27 ASP H H 1 8.4890 . . . . . . . . . . . 5499 1 277 . 1 1 27 27 ASP N N 15 121.000 . . . . . . . . . . . 5499 1 278 . 1 1 27 27 ASP C C 13 178.800 . . . . . . . . . . . 5499 1 279 . 1 1 27 27 ASP CA C 13 55.3000 . . . . . . . . . . . 5499 1 280 . 1 1 27 27 ASP CB C 13 43.3700 . . . . . . . . . . . 5499 1 281 . 1 1 27 27 ASP HA H 1 5.4600 . . . . . . . . . . . 5499 1 282 . 1 1 27 27 ASP HB2 H 1 2.6060 . . . . . . . . . . . 5499 1 283 . 1 1 27 27 ASP HB3 H 1 2.9700 . . . . . . . . . . . 5499 1 284 . 1 1 28 28 GLY H H 1 8.9370 . . . . . . . . . . . 5499 1 285 . 1 1 28 28 GLY N N 15 109.000 . . . . . . . . . . . 5499 1 286 . 1 1 28 28 GLY C C 13 174.500 . . . . . . . . . . . 5499 1 287 . 1 1 28 28 GLY CA C 13 46.7300 . . . . . . . . . . . 5499 1 288 . 1 1 28 28 GLY HA2 H 1 3.9530 . . . . . . . . . . . 5499 1 289 . 1 1 28 28 GLY HA3 H 1 4.2210 . . . . . . . . . . . 5499 1 290 . 1 1 29 29 LEU H H 1 8.2900 . . . . . . . . . . . 5499 1 291 . 1 1 29 29 LEU N N 15 123.300 . . . . . . . . . . . 5499 1 292 . 1 1 29 29 LEU C C 13 178.000 . . . . . . . . . . . 5499 1 293 . 1 1 29 29 LEU CA C 13 56.9800 . . . . . . . . . . . 5499 1 294 . 1 1 29 29 LEU CB C 13 43.0000 . . . . . . . . . . . 5499 1 295 . 1 1 29 29 LEU CD1 C 13 24.3600 . . . . . . . . . . . 5499 1 296 . 1 1 29 29 LEU CD2 C 13 25.2900 . . . . . . . . . . . 5499 1 297 . 1 1 29 29 LEU HA H 1 4.3750 . . . . . . . . . . . 5499 1 298 . 1 1 29 29 LEU HB2 H 1 1.5590 . . . . . . . . . . . 5499 1 299 . 1 1 29 29 LEU HB3 H 1 1.6200 . . . . . . . . . . . 5499 1 300 . 1 1 29 29 LEU HD11 H 1 0.8610 . . . . . . . . . . . 5499 1 301 . 1 1 29 29 LEU HD12 H 1 0.8610 . . . . . . . . . . . 5499 1 302 . 1 1 29 29 LEU HD13 H 1 0.8610 . . . . . . . . . . . 5499 1 303 . 1 1 29 29 LEU HD21 H 1 0.8910 . . . . . . . . . . . 5499 1 304 . 1 1 29 29 LEU HD22 H 1 0.8910 . . . . . . . . . . . 5499 1 305 . 1 1 29 29 LEU HD23 H 1 0.8910 . . . . . . . . . . . 5499 1 306 . 1 1 30 30 LEU H H 1 8.2340 . . . . . . . . . . . 5499 1 307 . 1 1 30 30 LEU N N 15 119.500 . . . . . . . . . . . 5499 1 308 . 1 1 30 30 LEU C C 13 177.100 . . . . . . . . . . . 5499 1 309 . 1 1 30 30 LEU CA C 13 56.4200 . . . . . . . . . . . 5499 1 310 . 1 1 30 30 LEU CB C 13 43.0000 . . . . . . . . . . . 5499 1 311 . 1 1 30 30 LEU CG C 13 27.9600 . . . . . . . . . . . 5499 1 312 . 1 1 30 30 LEU CD1 C 13 23.8000 . . . . . . . . . . . 5499 1 313 . 1 1 30 30 LEU CD2 C 13 25.8500 . . . . . . . . . . . 5499 1 314 . 1 1 30 30 LEU HA H 1 4.3050 . . . . . . . . . . . 5499 1 315 . 1 1 30 30 LEU HB2 H 1 1.600 . . . . . . . . . . . 5499 1 316 . 1 1 30 30 LEU HB3 H 1 1.6940 . . . . . . . . . . . 5499 1 317 . 1 1 30 30 LEU HG H 1 1.5440 . . . . . . . . . . . 5499 1 318 . 1 1 30 30 LEU HD11 H 1 0.8460 . . . . . . . . . . . 5499 1 319 . 1 1 30 30 LEU HD12 H 1 0.8460 . . . . . . . . . . . 5499 1 320 . 1 1 30 30 LEU HD13 H 1 0.8460 . . . . . . . . . . . 5499 1 321 . 1 1 30 30 LEU HD21 H 1 0.8900 . . . . . . . . . . . 5499 1 322 . 1 1 30 30 LEU HD22 H 1 0.8900 . . . . . . . . . . . 5499 1 323 . 1 1 30 30 LEU HD23 H 1 0.8900 . . . . . . . . . . . 5499 1 324 . 1 1 31 31 GLU H H 1 7.6230 . . . . . . . . . . . 5499 1 325 . 1 1 31 31 GLU N N 15 118.200 . . . . . . . . . . . 5499 1 326 . 1 1 31 31 GLU C C 13 175.500 . . . . . . . . . . . 5499 1 327 . 1 1 31 31 GLU CA C 13 55.4900 . . . . . . . . . . . 5499 1 328 . 1 1 31 31 GLU CB C 13 32.3800 . . . . . . . . . . . 5499 1 329 . 1 1 31 31 GLU CG C 13 36.4800 . . . . . . . . . . . 5499 1 330 . 1 1 31 31 GLU HA H 1 4.4480 . . . . . . . . . . . 5499 1 331 . 1 1 31 31 GLU HB2 H 1 1.9140 . . . . . . . . . . . 5499 1 332 . 1 1 31 31 GLU HB3 H 1 2.0920 . . . . . . . . . . . 5499 1 333 . 1 1 31 31 GLU HG2 H 1 2.2470 . . . . . . . . . . . 5499 1 334 . 1 1 32 32 LYS H H 1 8.2710 . . . . . . . . . . . 5499 1 335 . 1 1 32 32 LYS N N 15 121.200 . . . . . . . . . . . 5499 1 336 . 1 1 32 32 LYS C C 13 176.900 . . . . . . . . . . . 5499 1 337 . 1 1 32 32 LYS CA C 13 57.1600 . . . . . . . . . . . 5499 1 338 . 1 1 32 32 LYS CB C 13 33.6800 . . . . . . . . . . . 5499 1 339 . 1 1 32 32 LYS CG C 13 25.7000 . . . . . . . . . . . 5499 1 340 . 1 1 32 32 LYS CD C 13 29.3900 . . . . . . . . . . . 5499 1 341 . 1 1 32 32 LYS CE C 13 42.6300 . . . . . . . . . . . 5499 1 342 . 1 1 32 32 LYS HA H 1 4.3940 . . . . . . . . . . . 5499 1 343 . 1 1 32 32 LYS HB2 H 1 1.8420 . . . . . . . . . . . 5499 1 344 . 1 1 32 32 LYS HG2 H 1 1.5020 . . . . . . . . . . . 5499 1 345 . 1 1 32 32 LYS HG3 H 1 1.5550 . . . . . . . . . . . 5499 1 346 . 1 1 32 32 LYS HD2 H 1 1.7310 . . . . . . . . . . . 5499 1 347 . 1 1 32 32 LYS HE2 H 1 3.0220 . . . . . . . . . . . 5499 1 348 . 1 1 33 33 GLY H H 1 8.4940 . . . . . . . . . . . 5499 1 349 . 1 1 33 33 GLY N N 15 111.200 . . . . . . . . . . . 5499 1 350 . 1 1 33 33 GLY C C 13 172.800 . . . . . . . . . . . 5499 1 351 . 1 1 33 33 GLY CA C 13 45.0500 . . . . . . . . . . . 5499 1 352 . 1 1 33 33 GLY HA2 H 1 4.0950 . . . . . . . . . . . 5499 1 353 . 1 1 33 33 GLY HA3 H 1 4.3530 . . . . . . . . . . . 5499 1 354 . 1 1 34 34 VAL H H 1 8.4120 . . . . . . . . . . . 5499 1 355 . 1 1 34 34 VAL N N 15 119.100 . . . . . . . . . . . 5499 1 356 . 1 1 34 34 VAL C C 13 174.600 . . . . . . . . . . . 5499 1 357 . 1 1 34 34 VAL CA C 13 62.0100 . . . . . . . . . . . 5499 1 358 . 1 1 34 34 VAL CB C 13 34.4300 . . . . . . . . . . . 5499 1 359 . 1 1 34 34 VAL CG1 C 13 22.1300 . . . . . . . . . . . 5499 1 360 . 1 1 34 34 VAL CG2 C 13 23.4300 . . . . . . . . . . . 5499 1 361 . 1 1 34 34 VAL HA H 1 4.7850 . . . . . . . . . . . 5499 1 362 . 1 1 34 34 VAL HB H 1 1.8340 . . . . . . . . . . . 5499 1 363 . 1 1 34 34 VAL HG11 H 1 0.9560 . . . . . . . . . . . 5499 1 364 . 1 1 34 34 VAL HG12 H 1 0.9560 . . . . . . . . . . . 5499 1 365 . 1 1 34 34 VAL HG13 H 1 0.9560 . . . . . . . . . . . 5499 1 366 . 1 1 34 34 VAL HG21 H 1 0.9430 . . . . . . . . . . . 5499 1 367 . 1 1 34 34 VAL HG22 H 1 0.9430 . . . . . . . . . . . 5499 1 368 . 1 1 34 34 VAL HG23 H 1 0.9430 . . . . . . . . . . . 5499 1 369 . 1 1 35 35 TYR H H 1 8.9790 . . . . . . . . . . . 5499 1 370 . 1 1 35 35 TYR N N 15 124.300 . . . . . . . . . . . 5499 1 371 . 1 1 35 35 TYR C C 13 176.000 . . . . . . . . . . . 5499 1 372 . 1 1 35 35 TYR CA C 13 56.2300 . . . . . . . . . . . 5499 1 373 . 1 1 35 35 TYR CB C 13 43.5000 . . . . . . . . . . . 5499 1 374 . 1 1 35 35 TYR HA H 1 5.4330 . . . . . . . . . . . 5499 1 375 . 1 1 35 35 TYR HB2 H 1 2.6000 . . . . . . . . . . . 5499 1 376 . 1 1 35 35 TYR HD2 H 1 7.0590 . . . . . . . . . . . 5499 1 377 . 1 1 35 35 TYR HE1 H 1 6.6440 . . . . . . . . . . . 5499 1 378 . 1 1 36 36 VAL H H 1 9.067 . . . . . . . . . . . 5499 1 379 . 1 1 36 36 VAL N N 15 121.200 . . . . . . . . . . . 5499 1 380 . 1 1 36 36 VAL C C 13 176.000 . . . . . . . . . . . 5499 1 381 . 1 1 36 36 VAL CA C 13 64.0600 . . . . . . . . . . . 5499 1 382 . 1 1 36 36 VAL CB C 13 32.9800 . . . . . . . . . . . 5499 1 383 . 1 1 36 36 VAL CG1 C 13 23.2400 . . . . . . . . . . . 5499 1 384 . 1 1 36 36 VAL CG2 C 13 23.4300 . . . . . . . . . . . 5499 1 385 . 1 1 36 36 VAL HA H 1 4.1780 . . . . . . . . . . . 5499 1 386 . 1 1 36 36 VAL HB H 1 2.1520 . . . . . . . . . . . 5499 1 387 . 1 1 36 36 VAL HG11 H 1 0.7140 . . . . . . . . . . . 5499 1 388 . 1 1 36 36 VAL HG12 H 1 0.7140 . . . . . . . . . . . 5499 1 389 . 1 1 36 36 VAL HG13 H 1 0.7140 . . . . . . . . . . . 5499 1 390 . 1 1 36 36 VAL HG21 H 1 0.7940 . . . . . . . . . . . 5499 1 391 . 1 1 36 36 VAL HG22 H 1 0.7940 . . . . . . . . . . . 5499 1 392 . 1 1 36 36 VAL HG23 H 1 0.7940 . . . . . . . . . . . 5499 1 393 . 1 1 37 37 LYS H H 1 9.0320 . . . . . . . . . . . 5499 1 394 . 1 1 37 37 LYS N N 15 131.000 . . . . . . . . . . . 5499 1 395 . 1 1 37 37 LYS C C 13 174.500 . . . . . . . . . . . 5499 1 396 . 1 1 37 37 LYS CA C 13 56.6100 . . . . . . . . . . . 5499 1 397 . 1 1 37 37 LYS CB C 13 34.6100 . . . . . . . . . . . 5499 1 398 . 1 1 37 37 LYS CG C 13 24.02 . . . . . . . . . . . 5499 1 399 . 1 1 37 37 LYS CD C 13 25.02 . . . . . . . . . . . 5499 1 400 . 1 1 37 37 LYS CE C 13 42.4270 . . . . . . . . . . . 5499 1 401 . 1 1 37 37 LYS HA H 1 4.3590 . . . . . . . . . . . 5499 1 402 . 1 1 37 37 LYS HB2 H 1 1.4080 . . . . . . . . . . . 5499 1 403 . 1 1 37 37 LYS HB3 H 1 1.6910 . . . . . . . . . . . 5499 1 404 . 1 1 37 37 LYS HG2 H 1 1.3060 . . . . . . . . . . . 5499 1 405 . 1 1 37 37 LYS HD2 H 1 1.2110 . . . . . . . . . . . 5499 1 406 . 1 1 37 37 LYS HE2 H 1 2.909 . . . . . . . . . . . 5499 1 407 . 1 1 38 38 ASN H H 1 7.7920 . . . . . . . . . . . 5499 1 408 . 1 1 38 38 ASN N N 15 115.400 . . . . . . . . . . . 5499 1 409 . 1 1 38 38 ASN C C 13 174.000 . . . . . . . . . . . 5499 1 410 . 1 1 38 38 ASN CA C 13 53.0600 . . . . . . . . . . . 5499 1 411 . 1 1 38 38 ASN CB C 13 40.7600 . . . . . . . . . . . 5499 1 412 . 1 1 38 38 ASN HA H 1 4.6710 . . . . . . . . . . . 5499 1 413 . 1 1 38 38 ASN HB2 H 1 2.6400 . . . . . . . . . . . 5499 1 414 . 1 1 38 38 ASN HB3 H 1 2.7440 . . . . . . . . . . . 5499 1 415 . 1 1 39 39 ILE H H 1 8.5290 . . . . . . . . . . . 5499 1 416 . 1 1 39 39 ILE N N 15 120.900 . . . . . . . . . . . 5499 1 417 . 1 1 39 39 ILE C C 13 176.100 . . . . . . . . . . . 5499 1 418 . 1 1 39 39 ILE CA C 13 60.3300 . . . . . . . . . . . 5499 1 419 . 1 1 39 39 ILE CB C 13 40.7600 . . . . . . . . . . . 5499 1 420 . 1 1 39 39 ILE CG1 C 13 28.4600 . . . . . . . . . . . 5499 1 421 . 1 1 39 39 ILE CG2 C 13 18.7700 . . . . . . . . . . . 5499 1 422 . 1 1 39 39 ILE CD1 C 13 13.9300 . . . . . . . . . . . 5499 1 423 . 1 1 39 39 ILE HA H 1 4.4660 . . . . . . . . . . . 5499 1 424 . 1 1 39 39 ILE HB H 1 1.6440 . . . . . . . . . . . 5499 1 425 . 1 1 39 39 ILE HG12 H 1 0.686 . . . . . . . . . . . 5499 1 426 . 1 1 39 39 ILE HG13 H 1 1.2780 . . . . . . . . . . . 5499 1 427 . 1 1 39 39 ILE HG21 H 1 0.7340 . . . . . . . . . . . 5499 1 428 . 1 1 39 39 ILE HG22 H 1 0.7340 . . . . . . . . . . . 5499 1 429 . 1 1 39 39 ILE HG23 H 1 0.7340 . . . . . . . . . . . 5499 1 430 . 1 1 39 39 ILE HD11 H 1 0.4630 . . . . . . . . . . . 5499 1 431 . 1 1 39 39 ILE HD12 H 1 0.4630 . . . . . . . . . . . 5499 1 432 . 1 1 39 39 ILE HD13 H 1 0.4630 . . . . . . . . . . . 5499 1 433 . 1 1 40 40 ARG H H 1 8.2250 . . . . . . . . . . . 5499 1 434 . 1 1 40 40 ARG N N 15 131.100 . . . . . . . . . . . 5499 1 435 . 1 1 40 40 ARG CA C 13 54.7400 . . . . . . . . . . . 5499 1 436 . 1 1 40 40 ARG CB C 13 31.6300 . . . . . . . . . . . 5499 1 437 . 1 1 40 40 ARG CG C 13 27.600 . . . . . . . . . . . 5499 1 438 . 1 1 40 40 ARG CD C 13 44.090 . . . . . . . . . . . 5499 1 439 . 1 1 40 40 ARG HA H 1 4.6310 . . . . . . . . . . . 5499 1 440 . 1 1 40 40 ARG HB2 H 1 1.7950 . . . . . . . . . . . 5499 1 441 . 1 1 40 40 ARG HG2 H 1 1.6250 . . . . . . . . . . . 5499 1 442 . 1 1 40 40 ARG HG3 H 1 1.6540 . . . . . . . . . . . 5499 1 443 . 1 1 40 40 ARG HD2 H 1 3.2760 . . . . . . . . . . . 5499 1 444 . 1 1 40 40 ARG HD3 H 1 3.3300 . . . . . . . . . . . 5499 1 445 . 1 1 41 41 PRO CA C 13 64.9900 . . . . . . . . . . . 5499 1 446 . 1 1 41 41 PRO CB C 13 32.1900 . . . . . . . . . . . 5499 1 447 . 1 1 41 41 PRO C C 13 177.700 . . . . . . . . . . . 5499 1 448 . 1 1 41 41 PRO CG C 13 28.4600 . . . . . . . . . . . 5499 1 449 . 1 1 41 41 PRO CD C 13 52.3200 . . . . . . . . . . . 5499 1 450 . 1 1 41 41 PRO HA H 1 4.3050 . . . . . . . . . . . 5499 1 451 . 1 1 41 41 PRO HB2 H 1 1.9310 . . . . . . . . . . . 5499 1 452 . 1 1 41 41 PRO HB3 H 1 2.3370 . . . . . . . . . . . 5499 1 453 . 1 1 41 41 PRO HG2 H 1 2.0080 . . . . . . . . . . . 5499 1 454 . 1 1 41 41 PRO HG3 H 1 2.1650 . . . . . . . . . . . 5499 1 455 . 1 1 41 41 PRO HD2 H 1 3.6720 . . . . . . . . . . . 5499 1 456 . 1 1 41 41 PRO HD3 H 1 4.2370 . . . . . . . . . . . 5499 1 457 . 1 1 42 42 ALA H H 1 10.8100 . . . . . . . . . . . 5499 1 458 . 1 1 42 42 ALA N N 15 125.700 . . . . . . . . . . . 5499 1 459 . 1 1 42 42 ALA C C 13 176.800 . . . . . . . . . . . 5499 1 460 . 1 1 42 42 ALA CA C 13 54.3400 . . . . . . . . . . . 5499 1 461 . 1 1 42 42 ALA CB C 13 18.0300 . . . . . . . . . . . 5499 1 462 . 1 1 42 42 ALA HA H 1 3.8900 . . . . . . . . . . . 5499 1 463 . 1 1 42 42 ALA HB1 H 1 1.6100 . . . . . . . . . . . 5499 1 464 . 1 1 42 42 ALA HB2 H 1 1.6100 . . . . . . . . . . . 5499 1 465 . 1 1 42 42 ALA HB3 H 1 1.6100 . . . . . . . . . . . 5499 1 466 . 1 1 43 43 GLY H H 1 7.9420 . . . . . . . . . . . 5499 1 467 . 1 1 43 43 GLY N N 15 106.100 . . . . . . . . . . . 5499 1 468 . 1 1 43 43 GLY CA C 13 45.9800 . . . . . . . . . . . 5499 1 469 . 1 1 43 43 GLY HA2 H 1 3.7740 . . . . . . . . . . . 5499 1 470 . 1 1 43 43 GLY HA3 H 1 4.6680 . . . . . . . . . . . 5499 1 471 . 1 1 44 44 PRO CA C 13 66.8600 . . . . . . . . . . . 5499 1 472 . 1 1 44 44 PRO CB C 13 32.7500 . . . . . . . . . . . 5499 1 473 . 1 1 44 44 PRO C C 13 180.100 . . . . . . . . . . . 5499 1 474 . 1 1 44 44 PRO CG C 13 29.8100 . . . . . . . . . . . 5499 1 475 . 1 1 44 44 PRO CD C 13 50.0800 . . . . . . . . . . . 5499 1 476 . 1 1 44 44 PRO HA H 1 4.4160 . . . . . . . . . . . 5499 1 477 . 1 1 44 44 PRO HB2 H 1 2.3610 . . . . . . . . . . . 5499 1 478 . 1 1 44 44 PRO HB3 H 1 2.9640 . . . . . . . . . . . 5499 1 479 . 1 1 44 44 PRO HG2 H 1 2.3030 . . . . . . . . . . . 5499 1 480 . 1 1 44 44 PRO HG3 H 1 2.3450 . . . . . . . . . . . 5499 1 481 . 1 1 44 44 PRO HD2 H 1 3.2400 . . . . . . . . . . . 5499 1 482 . 1 1 44 44 PRO HD3 H 1 3.9900 . . . . . . . . . . . 5499 1 483 . 1 1 45 45 GLY H H 1 8.2150 . . . . . . . . . . . 5499 1 484 . 1 1 45 45 GLY N N 15 106.000 . . . . . . . . . . . 5499 1 485 . 1 1 45 45 GLY C C 13 173.400 . . . . . . . . . . . 5499 1 486 . 1 1 45 45 GLY CA C 13 48.4000 . . . . . . . . . . . 5499 1 487 . 1 1 45 45 GLY HA2 H 1 3.3740 . . . . . . . . . . . 5499 1 488 . 1 1 45 45 GLY HA3 H 1 3.8270 . . . . . . . . . . . 5499 1 489 . 1 1 46 46 ASP H H 1 8.6250 . . . . . . . . . . . 5499 1 490 . 1 1 46 46 ASP N N 15 124.200 . . . . . . . . . . . 5499 1 491 . 1 1 46 46 ASP C C 13 180.600 . . . . . . . . . . . 5499 1 492 . 1 1 46 46 ASP CA C 13 57.3500 . . . . . . . . . . . 5499 1 493 . 1 1 46 46 ASP CB C 13 43.0000 . . . . . . . . . . . 5499 1 494 . 1 1 46 46 ASP HA H 1 4.3320 . . . . . . . . . . . 5499 1 495 . 1 1 46 46 ASP HB2 H 1 2.8470 . . . . . . . . . . . 5499 1 496 . 1 1 46 46 ASP HB3 H 1 2.8990 . . . . . . . . . . . 5499 1 497 . 1 1 47 47 LEU H H 1 8.5950 . . . . . . . . . . . 5499 1 498 . 1 1 47 47 LEU N N 15 119.000 . . . . . . . . . . . 5499 1 499 . 1 1 47 47 LEU C C 13 179.900 . . . . . . . . . . . 5499 1 500 . 1 1 47 47 LEU CA C 13 58.1000 . . . . . . . . . . . 5499 1 501 . 1 1 47 47 LEU CB C 13 41.8800 . . . . . . . . . . . 5499 1 502 . 1 1 47 47 LEU CG C 13 27.9000 . . . . . . . . . . . 5499 1 503 . 1 1 47 47 LEU CD1 C 13 23.0600 . . . . . . . . . . . 5499 1 504 . 1 1 47 47 LEU CD2 C 13 25.8500 . . . . . . . . . . . 5499 1 505 . 1 1 47 47 LEU HA H 1 4.0450 . . . . . . . . . . . 5499 1 506 . 1 1 47 47 LEU HB2 H 1 1.5790 . . . . . . . . . . . 5499 1 507 . 1 1 47 47 LEU HB3 H 1 1.7980 . . . . . . . . . . . 5499 1 508 . 1 1 47 47 LEU HG H 1 1.7100 . . . . . . . . . . . 5499 1 509 . 1 1 47 47 LEU HD11 H 1 0.8670 . . . . . . . . . . . 5499 1 510 . 1 1 47 47 LEU HD12 H 1 0.8670 . . . . . . . . . . . 5499 1 511 . 1 1 47 47 LEU HD13 H 1 0.8670 . . . . . . . . . . . 5499 1 512 . 1 1 47 47 LEU HD21 H 1 0.8670 . . . . . . . . . . . 5499 1 513 . 1 1 47 47 LEU HD22 H 1 0.8670 . . . . . . . . . . . 5499 1 514 . 1 1 47 47 LEU HD23 H 1 0.8670 . . . . . . . . . . . 5499 1 515 . 1 1 48 48 GLY H H 1 8.088 . . . . . . . . . . . 5499 1 516 . 1 1 48 48 GLY N N 15 104.900 . . . . . . . . . . . 5499 1 517 . 1 1 48 48 GLY C C 13 174.200 . . . . . . . . . . . 5499 1 518 . 1 1 48 48 GLY CA C 13 45.6100 . . . . . . . . . . . 5499 1 519 . 1 1 48 48 GLY HA2 H 1 3.5000 . . . . . . . . . . . 5499 1 520 . 1 1 48 48 GLY HA3 H 1 4.3500 . . . . . . . . . . . 5499 1 521 . 1 1 49 49 GLY H H 1 7.5870 . . . . . . . . . . . 5499 1 522 . 1 1 49 49 GLY N N 15 105.900 . . . . . . . . . . . 5499 1 523 . 1 1 49 49 GLY C C 13 175.600 . . . . . . . . . . . 5499 1 524 . 1 1 49 49 GLY CA C 13 45.9800 . . . . . . . . . . . 5499 1 525 . 1 1 49 49 GLY HA2 H 1 3.8300 . . . . . . . . . . . 5499 1 526 . 1 1 49 49 GLY HA3 H 1 4.2200 . . . . . . . . . . . 5499 1 527 . 1 1 50 50 LEU H H 1 7.8070 . . . . . . . . . . . 5499 1 528 . 1 1 50 50 LEU N N 15 119.700 . . . . . . . . . . . 5499 1 529 . 1 1 50 50 LEU C C 13 175.500 . . . . . . . . . . . 5499 1 530 . 1 1 50 50 LEU CA C 13 55.4900 . . . . . . . . . . . 5499 1 531 . 1 1 50 50 LEU CB C 13 44.4900 . . . . . . . . . . . 5499 1 532 . 1 1 50 50 LEU CG C 13 26.9700 . . . . . . . . . . . 5499 1 533 . 1 1 50 50 LEU CD1 C 13 25.8500 . . . . . . . . . . . 5499 1 534 . 1 1 50 50 LEU CD2 C 13 24.1800 . . . . . . . . . . . 5499 1 535 . 1 1 50 50 LEU HA H 1 3.9700 . . . . . . . . . . . 5499 1 536 . 1 1 50 50 LEU HB2 H 1 1.0170 . . . . . . . . . . . 5499 1 537 . 1 1 50 50 LEU HB3 H 1 1.1560 . . . . . . . . . . . 5499 1 538 . 1 1 50 50 LEU HG H 1 1.3500 . . . . . . . . . . . 5499 1 539 . 1 1 50 50 LEU HD11 H 1 0.0670 . . . . . . . . . . . 5499 1 540 . 1 1 50 50 LEU HD12 H 1 0.0670 . . . . . . . . . . . 5499 1 541 . 1 1 50 50 LEU HD13 H 1 0.0670 . . . . . . . . . . . 5499 1 542 . 1 1 50 50 LEU HD21 H 1 0.2890 . . . . . . . . . . . 5499 1 543 . 1 1 50 50 LEU HD22 H 1 0.2890 . . . . . . . . . . . 5499 1 544 . 1 1 50 50 LEU HD23 H 1 0.2890 . . . . . . . . . . . 5499 1 545 . 1 1 51 51 LYS H H 1 8.6830 . . . . . . . . . . . 5499 1 546 . 1 1 51 51 LYS N N 15 122.300 . . . . . . . . . . . 5499 1 547 . 1 1 51 51 LYS CA C 13 53.4400 . . . . . . . . . . . 5499 1 548 . 1 1 51 51 LYS CB C 13 34.4300 . . . . . . . . . . . 5499 1 549 . 1 1 51 51 LYS CG C 13 25.3200 . . . . . . . . . . . 5499 1 550 . 1 1 51 51 LYS CD C 13 29.2100 . . . . . . . . . . . 5499 1 551 . 1 1 51 51 LYS CE C 13 42.8100 . . . . . . . . . . . 5499 1 552 . 1 1 51 51 LYS HA H 1 4.6040 . . . . . . . . . . . 5499 1 553 . 1 1 51 51 LYS HB2 H 1 1.6200 . . . . . . . . . . . 5499 1 554 . 1 1 51 51 LYS HG2 H 1 1.2400 . . . . . . . . . . . 5499 1 555 . 1 1 51 51 LYS HG3 H 1 1.2850 . . . . . . . . . . . 5499 1 556 . 1 1 51 51 LYS HD2 H 1 1.4800 . . . . . . . . . . . 5499 1 557 . 1 1 51 51 LYS HD3 H 1 1.6140 . . . . . . . . . . . 5499 1 558 . 1 1 51 51 LYS HE2 H 1 2.8000 . . . . . . . . . . . 5499 1 559 . 1 1 51 51 LYS HE3 H 1 2.9100 . . . . . . . . . . . 5499 1 560 . 1 1 52 52 PRO CA C 13 64.4300 . . . . . . . . . . . 5499 1 561 . 1 1 52 52 PRO CB C 13 32.0000 . . . . . . . . . . . 5499 1 562 . 1 1 52 52 PRO C C 13 178.200 . . . . . . . . . . . 5499 1 563 . 1 1 52 52 PRO CD C 13 51.3900 . . . . . . . . . . . 5499 1 564 . 1 1 52 52 PRO CG C 13 29.0200 . . . . . . . . . . . 5499 1 565 . 1 1 52 52 PRO HA H 1 3.7230 . . . . . . . . . . . 5499 1 566 . 1 1 52 52 PRO HB2 H 1 1.7110 . . . . . . . . . . . 5499 1 567 . 1 1 52 52 PRO HB3 H 1 2.1250 . . . . . . . . . . . 5499 1 568 . 1 1 52 52 PRO HG2 H 1 1.8170 . . . . . . . . . . . 5499 1 569 . 1 1 52 52 PRO HG3 H 1 2.1500 . . . . . . . . . . . 5499 1 570 . 1 1 52 52 PRO HD2 H 1 3.4930 . . . . . . . . . . . 5499 1 571 . 1 1 52 52 PRO HD3 H 1 3.6910 . . . . . . . . . . . 5499 1 572 . 1 1 53 53 TYR H H 1 9.2410 . . . . . . . . . . . 5499 1 573 . 1 1 53 53 TYR N N 15 118.900 . . . . . . . . . . . 5499 1 574 . 1 1 53 53 TYR C C 13 175.100 . . . . . . . . . . . 5499 1 575 . 1 1 53 53 TYR CA C 13 62.2000 . . . . . . . . . . . 5499 1 576 . 1 1 53 53 TYR CB C 13 36.3200 . . . . . . . . . . . 5499 1 577 . 1 1 53 53 TYR HA H 1 3.9550 . . . . . . . . . . . 5499 1 578 . 1 1 53 53 TYR HB2 H 1 3.3880 . . . . . . . . . . . 5499 1 579 . 1 1 53 53 TYR HD2 H 1 6.9640 . . . . . . . . . . . 5499 1 580 . 1 1 53 53 TYR HE1 H 1 6.7460 . . . . . . . . . . . 5499 1 581 . 1 1 54 54 ASP H H 1 7.8290 . . . . . . . . . . . 5499 1 582 . 1 1 54 54 ASP N N 15 122.900 . . . . . . . . . . . 5499 1 583 . 1 1 54 54 ASP C C 13 176.100 . . . . . . . . . . . 5499 1 584 . 1 1 54 54 ASP CA C 13 56.6100 . . . . . . . . . . . 5499 1 585 . 1 1 54 54 ASP CB C 13 41.8800 . . . . . . . . . . . 5499 1 586 . 1 1 54 54 ASP HA H 1 4.8020 . . . . . . . . . . . 5499 1 587 . 1 1 54 54 ASP HB2 H 1 2.2350 . . . . . . . . . . . 5499 1 588 . 1 1 54 54 ASP HB3 H 1 2.5780 . . . . . . . . . . . 5499 1 589 . 1 1 55 55 ARG H H 1 9.2400 . . . . . . . . . . . 5499 1 590 . 1 1 55 55 ARG N N 15 124.400 . . . . . . . . . . . 5499 1 591 . 1 1 55 55 ARG C C 13 177.200 . . . . . . . . . . . 5499 1 592 . 1 1 55 55 ARG CA C 13 55.3000 . . . . . . . . . . . 5499 1 593 . 1 1 55 55 ARG CB C 13 32.4600 . . . . . . . . . . . 5499 1 594 . 1 1 55 55 ARG CG C 13 27.9000 . . . . . . . . . . . 5499 1 595 . 1 1 55 55 ARG CD C 13 44.6800 . . . . . . . . . . . 5499 1 596 . 1 1 55 55 ARG HA H 1 4.5260 . . . . . . . . . . . 5499 1 597 . 1 1 55 55 ARG HB2 H 1 1.6530 . . . . . . . . . . . 5499 1 598 . 1 1 55 55 ARG HB3 H 1 2.1300 . . . . . . . . . . . 5499 1 599 . 1 1 55 55 ARG HG2 H 1 0.9220 . . . . . . . . . . . 5499 1 600 . 1 1 55 55 ARG HG3 H 1 1.0780 . . . . . . . . . . . 5499 1 601 . 1 1 55 55 ARG HD2 H 1 2.8590 . . . . . . . . . . . 5499 1 602 . 1 1 55 55 ARG HD3 H 1 3.1320 . . . . . . . . . . . 5499 1 603 . 1 1 56 56 LEU H H 1 8.5380 . . . . . . . . . . . 5499 1 604 . 1 1 56 56 LEU N N 15 125.000 . . . . . . . . . . . 5499 1 605 . 1 1 56 56 LEU C C 13 176.800 . . . . . . . . . . . 5499 1 606 . 1 1 56 56 LEU CA C 13 56.4200 . . . . . . . . . . . 5499 1 607 . 1 1 56 56 LEU CB C 13 41.5900 . . . . . . . . . . . 5499 1 608 . 1 1 56 56 LEU CG C 13 29.2100 . . . . . . . . . . . 5499 1 609 . 1 1 56 56 LEU CD1 C 13 26.2300 . . . . . . . . . . . 5499 1 610 . 1 1 56 56 LEU CD2 C 13 26.4100 . . . . . . . . . . . 5499 1 611 . 1 1 56 56 LEU HA H 1 4.2460 . . . . . . . . . . . 5499 1 612 . 1 1 56 56 LEU HB2 H 1 1.0710 . . . . . . . . . . . 5499 1 613 . 1 1 56 56 LEU HB3 H 1 1.5050 . . . . . . . . . . . 5499 1 614 . 1 1 56 56 LEU HG H 1 1.4550 . . . . . . . . . . . 5499 1 615 . 1 1 56 56 LEU HD11 H 1 0.6220 . . . . . . . . . . . 5499 1 616 . 1 1 56 56 LEU HD12 H 1 0.6220 . . . . . . . . . . . 5499 1 617 . 1 1 56 56 LEU HD13 H 1 0.6220 . . . . . . . . . . . 5499 1 618 . 1 1 56 56 LEU HD21 H 1 0.7260 . . . . . . . . . . . 5499 1 619 . 1 1 56 56 LEU HD22 H 1 0.7260 . . . . . . . . . . . 5499 1 620 . 1 1 56 56 LEU HD23 H 1 0.7260 . . . . . . . . . . . 5499 1 621 . 1 1 57 57 LEU H H 1 9.0330 . . . . . . . . . . . 5499 1 622 . 1 1 57 57 LEU N N 15 128.900 . . . . . . . . . . . 5499 1 623 . 1 1 57 57 LEU C C 13 178.400 . . . . . . . . . . . 5499 1 624 . 1 1 57 57 LEU CA C 13 56.0500 . . . . . . . . . . . 5499 1 625 . 1 1 57 57 LEU CB C 13 43.5600 . . . . . . . . . . . 5499 1 626 . 1 1 57 57 LEU CG C 13 27.5300 . . . . . . . . . . . 5499 1 627 . 1 1 57 57 LEU CD1 C 13 22.6100 . . . . . . . . . . . 5499 1 628 . 1 1 57 57 LEU CD2 C 13 26.7900 . . . . . . . . . . . 5499 1 629 . 1 1 57 57 LEU HA H 1 4.1130 . . . . . . . . . . . 5499 1 630 . 1 1 57 57 LEU HB2 H 1 1.4030 . . . . . . . . . . . 5499 1 631 . 1 1 57 57 LEU HG H 1 1.5280 . . . . . . . . . . . 5499 1 632 . 1 1 57 57 LEU HD11 H 1 0.6720 . . . . . . . . . . . 5499 1 633 . 1 1 57 57 LEU HD12 H 1 0.6720 . . . . . . . . . . . 5499 1 634 . 1 1 57 57 LEU HD13 H 1 0.6720 . . . . . . . . . . . 5499 1 635 . 1 1 57 57 LEU HD21 H 1 0.7620 . . . . . . . . . . . 5499 1 636 . 1 1 57 57 LEU HD22 H 1 0.7620 . . . . . . . . . . . 5499 1 637 . 1 1 57 57 LEU HD23 H 1 0.7620 . . . . . . . . . . . 5499 1 638 . 1 1 58 58 GLN H H 1 7.8700 . . . . . . . . . . . 5499 1 639 . 1 1 58 58 GLN N N 15 121.300 . . . . . . . . . . . 5499 1 640 . 1 1 58 58 GLN C C 13 174.500 . . . . . . . . . . . 5499 1 641 . 1 1 58 58 GLN CA C 13 56.4200 . . . . . . . . . . . 5499 1 642 . 1 1 58 58 GLN CB C 13 34.8000 . . . . . . . . . . . 5499 1 643 . 1 1 58 58 GLN CG C 13 33.8700 . . . . . . . . . . . 5499 1 644 . 1 1 58 58 GLN HA H 1 4.965 . . . . . . . . . . . 5499 1 645 . 1 1 58 58 GLN HB2 H 1 1.850 . . . . . . . . . . . 5499 1 646 . 1 1 58 58 GLN HB3 H 1 2.078 . . . . . . . . . . . 5499 1 647 . 1 1 58 58 GLN HG2 H 1 1.754 . . . . . . . . . . . 5499 1 648 . 1 1 59 59 VAL H H 1 8.4800 . . . . . . . . . . . 5499 1 649 . 1 1 59 59 VAL N N 15 124.300 . . . . . . . . . . . 5499 1 650 . 1 1 59 59 VAL C C 13 175.200 . . . . . . . . . . . 5499 1 651 . 1 1 59 59 VAL CA C 13 61.8200 . . . . . . . . . . . 5499 1 652 . 1 1 59 59 VAL CB C 13 34.2000 . . . . . . . . . . . 5499 1 653 . 1 1 59 59 VAL CG1 C 13 22.3100 . . . . . . . . . . . 5499 1 654 . 1 1 59 59 VAL CG2 C 13 21.7500 . . . . . . . . . . . 5499 1 655 . 1 1 59 59 VAL HA H 1 4.2520 . . . . . . . . . . . 5499 1 656 . 1 1 59 59 VAL HB H 1 1.8160 . . . . . . . . . . . 5499 1 657 . 1 1 59 59 VAL HG11 H 1 0.6860 . . . . . . . . . . . 5499 1 658 . 1 1 59 59 VAL HG12 H 1 0.6860 . . . . . . . . . . . 5499 1 659 . 1 1 59 59 VAL HG13 H 1 0.6860 . . . . . . . . . . . 5499 1 660 . 1 1 59 59 VAL HG21 H 1 0.7530 . . . . . . . . . . . 5499 1 661 . 1 1 59 59 VAL HG22 H 1 0.7530 . . . . . . . . . . . 5499 1 662 . 1 1 59 59 VAL HG23 H 1 0.7530 . . . . . . . . . . . 5499 1 663 . 1 1 60 60 ASN H H 1 9.6930 . . . . . . . . . . . 5499 1 664 . 1 1 60 60 ASN N N 15 126.600 . . . . . . . . . . . 5499 1 665 . 1 1 60 60 ASN C C 13 176.600 . . . . . . . . . . . 5499 1 666 . 1 1 60 60 ASN CA C 13 55.8600 . . . . . . . . . . . 5499 1 667 . 1 1 60 60 ASN CB C 13 37.2200 . . . . . . . . . . . 5499 1 668 . 1 1 60 60 ASN HA H 1 4.276 . . . . . . . . . . . 5499 1 669 . 1 1 60 60 ASN HB2 H 1 2.9550 . . . . . . . . . . . 5499 1 670 . 1 1 61 61 HIS H H 1 7.8220 . . . . . . . . . . . 5499 1 671 . 1 1 61 61 HIS N N 15 119.800 . . . . . . . . . . . 5499 1 672 . 1 1 61 61 HIS C C 13 174.600 . . . . . . . . . . . 5499 1 673 . 1 1 61 61 HIS CA C 13 57.9100 . . . . . . . . . . . 5499 1 674 . 1 1 61 61 HIS CB C 13 29.0200 . . . . . . . . . . . 5499 1 675 . 1 1 61 61 HIS HA H 1 4.3220 . . . . . . . . . . . 5499 1 676 . 1 1 61 61 HIS HB2 H 1 3.3230 . . . . . . . . . . . 5499 1 677 . 1 1 61 61 HIS HB3 H 1 3.3890 . . . . . . . . . . . 5499 1 678 . 1 1 62 62 VAL H H 1 8.2440 . . . . . . . . . . . 5499 1 679 . 1 1 62 62 VAL N N 15 124.200 . . . . . . . . . . . 5499 1 680 . 1 1 62 62 VAL C C 13 175.900 . . . . . . . . . . . 5499 1 681 . 1 1 62 62 VAL CA C 13 62.9400 . . . . . . . . . . . 5499 1 682 . 1 1 62 62 VAL CB C 13 33.5000 . . . . . . . . . . . 5499 1 683 . 1 1 62 62 VAL CG1 C 13 22.3100 . . . . . . . . . . . 5499 1 684 . 1 1 62 62 VAL CG2 C 13 22.1300 . . . . . . . . . . . 5499 1 685 . 1 1 62 62 VAL HA H 1 3.9810 . . . . . . . . . . . 5499 1 686 . 1 1 62 62 VAL HB H 1 2.1210 . . . . . . . . . . . 5499 1 687 . 1 1 62 62 VAL HG11 H 1 0.8150 . . . . . . . . . . . 5499 1 688 . 1 1 62 62 VAL HG12 H 1 0.8150 . . . . . . . . . . . 5499 1 689 . 1 1 62 62 VAL HG13 H 1 0.8150 . . . . . . . . . . . 5499 1 690 . 1 1 62 62 VAL HG21 H 1 0.8980 . . . . . . . . . . . 5499 1 691 . 1 1 62 62 VAL HG22 H 1 0.8980 . . . . . . . . . . . 5499 1 692 . 1 1 62 62 VAL HG23 H 1 0.8980 . . . . . . . . . . . 5499 1 693 . 1 1 63 63 ARG H H 1 8.6800 . . . . . . . . . . . 5499 1 694 . 1 1 63 63 ARG N N 15 128.300 . . . . . . . . . . . 5499 1 695 . 1 1 63 63 ARG C C 13 177.300 . . . . . . . . . . . 5499 1 696 . 1 1 63 63 ARG CA C 13 57.9100 . . . . . . . . . . . 5499 1 697 . 1 1 63 63 ARG CB C 13 30.3300 . . . . . . . . . . . 5499 1 698 . 1 1 63 63 ARG CG C 13 28.6500 . . . . . . . . . . . 5499 1 699 . 1 1 63 63 ARG CD C 13 43.7500 . . . . . . . . . . . 5499 1 700 . 1 1 63 63 ARG HA H 1 4.2770 . . . . . . . . . . . 5499 1 701 . 1 1 63 63 ARG HB2 H 1 1.7730 . . . . . . . . . . . 5499 1 702 . 1 1 63 63 ARG HB3 H 1 1.9410 . . . . . . . . . . . 5499 1 703 . 1 1 63 63 ARG HG2 H 1 1.5780 . . . . . . . . . . . 5499 1 704 . 1 1 63 63 ARG HG3 H 1 1.7640 . . . . . . . . . . . 5499 1 705 . 1 1 63 63 ARG HD2 H 1 3.1770 . . . . . . . . . . . 5499 1 706 . 1 1 64 64 THR H H 1 7.9840 . . . . . . . . . . . 5499 1 707 . 1 1 64 64 THR N N 15 115.200 . . . . . . . . . . . 5499 1 708 . 1 1 64 64 THR C C 13 176.300 . . . . . . . . . . . 5499 1 709 . 1 1 64 64 THR CA C 13 62.0100 . . . . . . . . . . . 5499 1 710 . 1 1 64 64 THR CB C 13 69.2800 . . . . . . . . . . . 5499 1 711 . 1 1 64 64 THR CG2 C 13 21.3300 . . . . . . . . . . . 5499 1 712 . 1 1 64 64 THR HA H 1 3.3800 . . . . . . . . . . . 5499 1 713 . 1 1 64 64 THR HB H 1 4.1700 . . . . . . . . . . . 5499 1 714 . 1 1 64 64 THR HG21 H 1 0.6270 . . . . . . . . . . . 5499 1 715 . 1 1 64 64 THR HG22 H 1 0.6270 . . . . . . . . . . . 5499 1 716 . 1 1 64 64 THR HG23 H 1 0.6270 . . . . . . . . . . . 5499 1 717 . 1 1 65 65 ARG H H 1 7.3070 . . . . . . . . . . . 5499 1 718 . 1 1 65 65 ARG N N 15 125.000 . . . . . . . . . . . 5499 1 719 . 1 1 65 65 ARG C C 13 176.600 . . . . . . . . . . . 5499 1 720 . 1 1 65 65 ARG CA C 13 61.0800 . . . . . . . . . . . 5499 1 721 . 1 1 65 65 ARG CB C 13 31.4400 . . . . . . . . . . . 5499 1 722 . 1 1 65 65 ARG CG C 13 27.5100 . . . . . . . . . . . 5499 1 723 . 1 1 65 65 ARG CD C 13 43.5300 . . . . . . . . . . . 5499 1 724 . 1 1 65 65 ARG HA H 1 3.8440 . . . . . . . . . . . 5499 1 725 . 1 1 65 65 ARG HB2 H 1 1.6660 . . . . . . . . . . . 5499 1 726 . 1 1 65 65 ARG HB3 H 1 1.9060 . . . . . . . . . . . 5499 1 727 . 1 1 65 65 ARG HG2 H 1 1.4480 . . . . . . . . . . . 5499 1 728 . 1 1 65 65 ARG HG3 H 1 1.5250 . . . . . . . . . . . 5499 1 729 . 1 1 65 65 ARG HD2 H 1 3.1440 . . . . . . . . . . . 5499 1 730 . 1 1 66 66 ASP H H 1 8.4180 . . . . . . . . . . . 5499 1 731 . 1 1 66 66 ASP N N 15 115.200 . . . . . . . . . . . 5499 1 732 . 1 1 66 66 ASP C C 13 175.900 . . . . . . . . . . . 5499 1 733 . 1 1 66 66 ASP CA C 13 54.0000 . . . . . . . . . . . 5499 1 734 . 1 1 66 66 ASP CB C 13 41.5100 . . . . . . . . . . . 5499 1 735 . 1 1 66 66 ASP HA H 1 4.9610 . . . . . . . . . . . 5499 1 736 . 1 1 66 66 ASP HB2 H 1 2.5000 . . . . . . . . . . . 5499 1 737 . 1 1 66 66 ASP HB3 H 1 2.9720 . . . . . . . . . . . 5499 1 738 . 1 1 67 67 PHE H H 1 7.3560 . . . . . . . . . . . 5499 1 739 . 1 1 67 67 PHE N N 15 121.500 . . . . . . . . . . . 5499 1 740 . 1 1 67 67 PHE C C 13 174.200 . . . . . . . . . . . 5499 1 741 . 1 1 67 67 PHE CA C 13 56.0500 . . . . . . . . . . . 5499 1 742 . 1 1 67 67 PHE CB C 13 40.0200 . . . . . . . . . . . 5499 1 743 . 1 1 67 67 PHE HA H 1 4.7400 . . . . . . . . . . . 5499 1 744 . 1 1 67 67 PHE HB2 H 1 3.2020 . . . . . . . . . . . 5499 1 745 . 1 1 67 67 PHE HB3 H 1 3.3600 . . . . . . . . . . . 5499 1 746 . 1 1 67 67 PHE HD2 H 1 6.9490 . . . . . . . . . . . 5499 1 747 . 1 1 67 67 PHE HE1 H 1 7.2810 . . . . . . . . . . . 5499 1 748 . 1 1 67 67 PHE HZ H 1 7.2580 . . . . . . . . . . . 5499 1 749 . 1 1 68 68 ASP H H 1 7.0790 . . . . . . . . . . . 5499 1 750 . 1 1 68 68 ASP N N 15 115.600 . . . . . . . . . . . 5499 1 751 . 1 1 68 68 ASP C C 13 178.600 . . . . . . . . . . . 5499 1 752 . 1 1 68 68 ASP CA C 13 52.6900 . . . . . . . . . . . 5499 1 753 . 1 1 68 68 ASP CB C 13 44.1200 . . . . . . . . . . . 5499 1 754 . 1 1 68 68 ASP HA H 1 4.9930 . . . . . . . . . . . 5499 1 755 . 1 1 68 68 ASP HB2 H 1 2.8490 . . . . . . . . . . . 5499 1 756 . 1 1 68 68 ASP HB3 H 1 3.1750 . . . . . . . . . . . 5499 1 757 . 1 1 69 69 CYS H H 1 10.5200 . . . . . . . . . . . 5499 1 758 . 1 1 69 69 CYS N N 15 122.300 . . . . . . . . . . . 5499 1 759 . 1 1 69 69 CYS C C 13 176.900 . . . . . . . . . . . 5499 1 760 . 1 1 69 69 CYS CA C 13 65.7400 . . . . . . . . . . . 5499 1 761 . 1 1 69 69 CYS CB C 13 27.5300 . . . . . . . . . . . 5499 1 762 . 1 1 69 69 CYS HA H 1 3.9450 . . . . . . . . . . . 5499 1 763 . 1 1 69 69 CYS HB2 H 1 2.8010 . . . . . . . . . . . 5499 1 764 . 1 1 69 69 CYS HB3 H 1 3.0330 . . . . . . . . . . . 5499 1 765 . 1 1 70 70 CYS H H 1 8.3480 . . . . . . . . . . . 5499 1 766 . 1 1 70 70 CYS N N 15 117.400 . . . . . . . . . . . 5499 1 767 . 1 1 70 70 CYS C C 13 176.600 . . . . . . . . . . . 5499 1 768 . 1 1 70 70 CYS CA C 13 62.0100 . . . . . . . . . . . 5499 1 769 . 1 1 70 70 CYS CB C 13 26.7900 . . . . . . . . . . . 5499 1 770 . 1 1 70 70 CYS HA H 1 4.1720 . . . . . . . . . . . 5499 1 771 . 1 1 70 70 CYS HB2 H 1 2.9600 . . . . . . . . . . . 5499 1 772 . 1 1 70 70 CYS HB3 H 1 3.0630 . . . . . . . . . . . 5499 1 773 . 1 1 71 71 LEU H H 1 7.4590 . . . . . . . . . . . 5499 1 774 . 1 1 71 71 LEU N N 15 118.200 . . . . . . . . . . . 5499 1 775 . 1 1 71 71 LEU C C 13 179.000 . . . . . . . . . . . 5499 1 776 . 1 1 71 71 LEU CA C 13 56.4200 . . . . . . . . . . . 5499 1 777 . 1 1 71 71 LEU CB C 13 44.3000 . . . . . . . . . . . 5499 1 778 . 1 1 71 71 LEU CG C 13 27.3400 . . . . . . . . . . . 5499 1 779 . 1 1 71 71 LEU CD1 C 13 25.8500 . . . . . . . . . . . 5499 1 780 . 1 1 71 71 LEU CD2 C 13 22.8700 . . . . . . . . . . . 5499 1 781 . 1 1 71 71 LEU HA H 1 4.3360 . . . . . . . . . . . 5499 1 782 . 1 1 71 71 LEU HB2 H 1 1.1420 . . . . . . . . . . . 5499 1 783 . 1 1 71 71 LEU HB3 H 1 1.5600 . . . . . . . . . . . 5499 1 784 . 1 1 71 71 LEU HG H 1 1.5910 . . . . . . . . . . . 5499 1 785 . 1 1 71 71 LEU HD11 H 1 0.3300 . . . . . . . . . . . 5499 1 786 . 1 1 71 71 LEU HD12 H 1 0.3300 . . . . . . . . . . . 5499 1 787 . 1 1 71 71 LEU HD13 H 1 0.3300 . . . . . . . . . . . 5499 1 788 . 1 1 71 71 LEU HD21 H 1 0.5620 . . . . . . . . . . . 5499 1 789 . 1 1 71 71 LEU HD22 H 1 0.5620 . . . . . . . . . . . 5499 1 790 . 1 1 71 71 LEU HD23 H 1 0.5620 . . . . . . . . . . . 5499 1 791 . 1 1 72 72 VAL H H 1 7.9580 . . . . . . . . . . . 5499 1 792 . 1 1 72 72 VAL N N 15 119.100 . . . . . . . . . . . 5499 1 793 . 1 1 72 72 VAL C C 13 176.900 . . . . . . . . . . . 5499 1 794 . 1 1 72 72 VAL CA C 13 66.1100 . . . . . . . . . . . 5499 1 795 . 1 1 72 72 VAL CB C 13 33.5000 . . . . . . . . . . . 5499 1 796 . 1 1 72 72 VAL CG1 C 13 23.2400 . . . . . . . . . . . 5499 1 797 . 1 1 72 72 VAL CG2 C 13 25.8500 . . . . . . . . . . . 5499 1 798 . 1 1 72 72 VAL HA H 1 4.0550 . . . . . . . . . . . 5499 1 799 . 1 1 72 72 VAL HB H 1 2.0960 . . . . . . . . . . . 5499 1 800 . 1 1 72 72 VAL HG11 H 1 1.0300 . . . . . . . . . . . 5499 1 801 . 1 1 72 72 VAL HG12 H 1 1.0300 . . . . . . . . . . . 5499 1 802 . 1 1 72 72 VAL HG13 H 1 1.0300 . . . . . . . . . . . 5499 1 803 . 1 1 72 72 VAL HG21 H 1 1.2230 . . . . . . . . . . . 5499 1 804 . 1 1 72 72 VAL HG22 H 1 1.2230 . . . . . . . . . . . 5499 1 805 . 1 1 72 72 VAL HG23 H 1 1.2230 . . . . . . . . . . . 5499 1 806 . 1 1 73 73 VAL H H 1 8.3240 . . . . . . . . . . . 5499 1 807 . 1 1 73 73 VAL N N 15 121.100 . . . . . . . . . . . 5499 1 808 . 1 1 73 73 VAL CA C 13 70.0200 . . . . . . . . . . . 5499 1 809 . 1 1 73 73 VAL CB C 13 30.7000 . . . . . . . . . . . 5499 1 810 . 1 1 73 73 VAL CG1 C 13 21.3800 . . . . . . . . . . . 5499 1 811 . 1 1 73 73 VAL CG2 C 13 24.5500 . . . . . . . . . . . 5499 1 812 . 1 1 73 73 VAL HA H 1 3.7350 . . . . . . . . . . . 5499 1 813 . 1 1 73 73 VAL HB H 1 2.2530 . . . . . . . . . . . 5499 1 814 . 1 1 73 73 VAL HG11 H 1 0.9640 . . . . . . . . . . . 5499 1 815 . 1 1 73 73 VAL HG12 H 1 0.9640 . . . . . . . . . . . 5499 1 816 . 1 1 73 73 VAL HG13 H 1 0.9640 . . . . . . . . . . . 5499 1 817 . 1 1 73 73 VAL HG21 H 1 1.0680 . . . . . . . . . . . 5499 1 818 . 1 1 73 73 VAL HG22 H 1 1.0680 . . . . . . . . . . . 5499 1 819 . 1 1 73 73 VAL HG23 H 1 1.0680 . . . . . . . . . . . 5499 1 820 . 1 1 74 74 PRO CA C 13 66.4800 . . . . . . . . . . . 5499 1 821 . 1 1 74 74 PRO CB C 13 31.8200 . . . . . . . . . . . 5499 1 822 . 1 1 74 74 PRO C C 13 179.000 . . . . . . . . . . . 5499 1 823 . 1 1 74 74 PRO CG C 13 28.8400 . . . . . . . . . . . 5499 1 824 . 1 1 74 74 PRO CD C 13 51.2500 . . . . . . . . . . . 5499 1 825 . 1 1 74 74 PRO HA H 1 4.4510 . . . . . . . . . . . 5499 1 826 . 1 1 74 74 PRO HB2 H 1 1.8100 . . . . . . . . . . . 5499 1 827 . 1 1 74 74 PRO HB3 H 1 2.3530 . . . . . . . . . . . 5499 1 828 . 1 1 74 74 PRO HG2 H 1 1.9730 . . . . . . . . . . . 5499 1 829 . 1 1 74 74 PRO HG3 H 1 2.0880 . . . . . . . . . . . 5499 1 830 . 1 1 74 74 PRO HD2 H 1 3.5050 . . . . . . . . . . . 5499 1 831 . 1 1 74 74 PRO HD3 H 1 3.5580 . . . . . . . . . . . 5499 1 832 . 1 1 75 75 LEU H H 1 6.8700 . . . . . . . . . . . 5499 1 833 . 1 1 75 75 LEU N N 15 116.100 . . . . . . . . . . . 5499 1 834 . 1 1 75 75 LEU C C 13 180.600 . . . . . . . . . . . 5499 1 835 . 1 1 75 75 LEU CA C 13 57.9100 . . . . . . . . . . . 5499 1 836 . 1 1 75 75 LEU CB C 13 43.0000 . . . . . . . . . . . 5499 1 837 . 1 1 75 75 LEU CG C 13 27.1600 . . . . . . . . . . . 5499 1 838 . 1 1 75 75 LEU CD1 C 13 23.6200 . . . . . . . . . . . 5499 1 839 . 1 1 75 75 LEU CD2 C 13 26.6000 . . . . . . . . . . . 5499 1 840 . 1 1 75 75 LEU HA H 1 4.1300 . . . . . . . . . . . 5499 1 841 . 1 1 75 75 LEU HB2 H 1 1.5290 . . . . . . . . . . . 5499 1 842 . 1 1 75 75 LEU HB3 H 1 2.0880 . . . . . . . . . . . 5499 1 843 . 1 1 75 75 LEU HG H 1 1.9610 . . . . . . . . . . . 5499 1 844 . 1 1 75 75 LEU HD11 H 1 0.9520 . . . . . . . . . . . 5499 1 845 . 1 1 75 75 LEU HD12 H 1 0.9520 . . . . . . . . . . . 5499 1 846 . 1 1 75 75 LEU HD13 H 1 0.9520 . . . . . . . . . . . 5499 1 847 . 1 1 75 75 LEU HD21 H 1 1.0000 . . . . . . . . . . . 5499 1 848 . 1 1 75 75 LEU HD22 H 1 1.0000 . . . . . . . . . . . 5499 1 849 . 1 1 75 75 LEU HD23 H 1 1.0000 . . . . . . . . . . . 5499 1 850 . 1 1 76 76 ILE H H 1 7.7320 . . . . . . . . . . . 5499 1 851 . 1 1 76 76 ILE N N 15 119.500 . . . . . . . . . . . 5499 1 852 . 1 1 76 76 ILE C C 13 179.000 . . . . . . . . . . . 5499 1 853 . 1 1 76 76 ILE CA C 13 65.9200 . . . . . . . . . . . 5499 1 854 . 1 1 76 76 ILE CB C 13 38.9000 . . . . . . . . . . . 5499 1 855 . 1 1 76 76 ILE CG1 C 13 30.1400 . . . . . . . . . . . 5499 1 856 . 1 1 76 76 ILE CG2 C 13 18.0300 . . . . . . . . . . . 5499 1 857 . 1 1 76 76 ILE CD1 C 13 14.4900 . . . . . . . . . . . 5499 1 858 . 1 1 76 76 ILE HA H 1 3.5100 . . . . . . . . . . . 5499 1 859 . 1 1 76 76 ILE HB H 1 1.9580 . . . . . . . . . . . 5499 1 860 . 1 1 76 76 ILE HG12 H 1 0.8240 . . . . . . . . . . . 5499 1 861 . 1 1 76 76 ILE HG13 H 1 1.8140 . . . . . . . . . . . 5499 1 862 . 1 1 76 76 ILE HG21 H 1 0.9360 . . . . . . . . . . . 5499 1 863 . 1 1 76 76 ILE HG22 H 1 0.9360 . . . . . . . . . . . 5499 1 864 . 1 1 76 76 ILE HG23 H 1 0.9360 . . . . . . . . . . . 5499 1 865 . 1 1 76 76 ILE HD11 H 1 0.7490 . . . . . . . . . . . 5499 1 866 . 1 1 76 76 ILE HD12 H 1 0.7490 . . . . . . . . . . . 5499 1 867 . 1 1 76 76 ILE HD13 H 1 0.7490 . . . . . . . . . . . 5499 1 868 . 1 1 77 77 ALA H H 1 8.0740 . . . . . . . . . . . 5499 1 869 . 1 1 77 77 ALA N N 15 122.300 . . . . . . . . . . . 5499 1 870 . 1 1 77 77 ALA C C 13 179.800 . . . . . . . . . . . 5499 1 871 . 1 1 77 77 ALA CA C 13 55.3000 . . . . . . . . . . . 5499 1 872 . 1 1 77 77 ALA CB C 13 19.1400 . . . . . . . . . . . 5499 1 873 . 1 1 77 77 ALA HA H 1 4.2140 . . . . . . . . . . . 5499 1 874 . 1 1 77 77 ALA HB1 H 1 1.5350 . . . . . . . . . . . 5499 1 875 . 1 1 77 77 ALA HB2 H 1 1.5350 . . . . . . . . . . . 5499 1 876 . 1 1 77 77 ALA HB3 H 1 1.5350 . . . . . . . . . . . 5499 1 877 . 1 1 78 78 GLU H H 1 7.6030 . . . . . . . . . . . 5499 1 878 . 1 1 78 78 GLU N N 15 115.200 . . . . . . . . . . . 5499 1 879 . 1 1 78 78 GLU C C 13 177.300 . . . . . . . . . . . 5499 1 880 . 1 1 78 78 GLU CA C 13 56.6100 . . . . . . . . . . . 5499 1 881 . 1 1 78 78 GLU CB C 13 30.1400 . . . . . . . . . . . 5499 1 882 . 1 1 78 78 GLU CG C 13 36.7000 . . . . . . . . . . . 5499 1 883 . 1 1 78 78 GLU HA H 1 4.4640 . . . . . . . . . . . 5499 1 884 . 1 1 78 78 GLU HB2 H 1 2.0520 . . . . . . . . . . . 5499 1 885 . 1 1 78 78 GLU HB3 H 1 2.2630 . . . . . . . . . . . 5499 1 886 . 1 1 78 78 GLU HG2 H 1 2.4330 . . . . . . . . . . . 5499 1 887 . 1 1 79 79 SER H H 1 7.4010 . . . . . . . . . . . 5499 1 888 . 1 1 79 79 SER N N 15 114.700 . . . . . . . . . . . 5499 1 889 . 1 1 79 79 SER C C 13 175.900 . . . . . . . . . . . 5499 1 890 . 1 1 79 79 SER CA C 13 60.1500 . . . . . . . . . . . 5499 1 891 . 1 1 79 79 SER CB C 13 64.8100 . . . . . . . . . . . 5499 1 892 . 1 1 79 79 SER HA H 1 4.2440 . . . . . . . . . . . 5499 1 893 . 1 1 79 79 SER HB2 H 1 4.0050 . . . . . . . . . . . 5499 1 894 . 1 1 79 79 SER HB3 H 1 4.0760 . . . . . . . . . . . 5499 1 895 . 1 1 80 80 GLY H H 1 8.222 . . . . . . . . . . . 5499 1 896 . 1 1 80 80 GLY N N 15 109.200 . . . . . . . . . . . 5499 1 897 . 1 1 80 80 GLY C C 13 174.900 . . . . . . . . . . . 5499 1 898 . 1 1 80 80 GLY CA C 13 45.9800 . . . . . . . . . . . 5499 1 899 . 1 1 80 80 GLY HA2 H 1 3.8700 . . . . . . . . . . . 5499 1 900 . 1 1 80 80 GLY HA3 H 1 4.1010 . . . . . . . . . . . 5499 1 901 . 1 1 81 81 ASN H H 1 8.6820 . . . . . . . . . . . 5499 1 902 . 1 1 81 81 ASN N N 15 119.700 . . . . . . . . . . . 5499 1 903 . 1 1 81 81 ASN C C 13 174.000 . . . . . . . . . . . 5499 1 904 . 1 1 81 81 ASN CA C 13 54.5600 . . . . . . . . . . . 5499 1 905 . 1 1 81 81 ASN CB C 13 39.2700 . . . . . . . . . . . 5499 1 906 . 1 1 81 81 ASN HA H 1 4.688 . . . . . . . . . . . 5499 1 907 . 1 1 81 81 ASN HB2 H 1 2.75 . . . . . . . . . . . 5499 1 908 . 1 1 81 81 ASN HB3 H 1 3.51 . . . . . . . . . . . 5499 1 909 . 1 1 82 82 LYS H H 1 7.6640 . . . . . . . . . . . 5499 1 910 . 1 1 82 82 LYS N N 15 120.800 . . . . . . . . . . . 5499 1 911 . 1 1 82 82 LYS C C 13 174.100 . . . . . . . . . . . 5499 1 912 . 1 1 82 82 LYS CA C 13 55.6700 . . . . . . . . . . . 5499 1 913 . 1 1 82 82 LYS CB C 13 36.2900 . . . . . . . . . . . 5499 1 914 . 1 1 82 82 LYS CG C 13 25.1100 . . . . . . . . . . . 5499 1 915 . 1 1 82 82 LYS CD C 13 30.3300 . . . . . . . . . . . 5499 1 916 . 1 1 82 82 LYS CE C 13 42.2500 . . . . . . . . . . . 5499 1 917 . 1 1 82 82 LYS HA H 1 5.2310 . . . . . . . . . . . 5499 1 918 . 1 1 82 82 LYS HB2 H 1 1.6510 . . . . . . . . . . . 5499 1 919 . 1 1 82 82 LYS HB3 H 1 1.7340 . . . . . . . . . . . 5499 1 920 . 1 1 82 82 LYS HG2 H 1 1.0050 . . . . . . . . . . . 5499 1 921 . 1 1 82 82 LYS HD2 H 1 0.8300 . . . . . . . . . . . 5499 1 922 . 1 1 82 82 LYS HE2 H 1 2.9670 . . . . . . . . . . . 5499 1 923 . 1 1 83 83 LEU H H 1 8.6210 . . . . . . . . . . . 5499 1 924 . 1 1 83 83 LEU N N 15 128.500 . . . . . . . . . . . 5499 1 925 . 1 1 83 83 LEU C C 13 174.000 . . . . . . . . . . . 5499 1 926 . 1 1 83 83 LEU CA C 13 54.1800 . . . . . . . . . . . 5499 1 927 . 1 1 83 83 LEU CB C 13 46.3500 . . . . . . . . . . . 5499 1 928 . 1 1 83 83 LEU CG C 13 27.3400 . . . . . . . . . . . 5499 1 929 . 1 1 83 83 LEU CD1 C 13 27.7200 . . . . . . . . . . . 5499 1 930 . 1 1 83 83 LEU CD2 C 13 24.7400 . . . . . . . . . . . 5499 1 931 . 1 1 83 83 LEU HA H 1 4.5560 . . . . . . . . . . . 5499 1 932 . 1 1 83 83 LEU HB2 H 1 0.4800 . . . . . . . . . . . 5499 1 933 . 1 1 83 83 LEU HB3 H 1 0.8110 . . . . . . . . . . . 5499 1 934 . 1 1 83 83 LEU HG H 1 0.9190 . . . . . . . . . . . 5499 1 935 . 1 1 83 83 LEU HD11 H 1 0.3830 . . . . . . . . . . . 5499 1 936 . 1 1 83 83 LEU HD12 H 1 0.3830 . . . . . . . . . . . 5499 1 937 . 1 1 83 83 LEU HD13 H 1 0.3830 . . . . . . . . . . . 5499 1 938 . 1 1 83 83 LEU HD21 H 1 0.7400 . . . . . . . . . . . 5499 1 939 . 1 1 83 83 LEU HD22 H 1 0.7400 . . . . . . . . . . . 5499 1 940 . 1 1 83 83 LEU HD23 H 1 0.7400 . . . . . . . . . . . 5499 1 941 . 1 1 84 84 ASP H H 1 8.3730 . . . . . . . . . . . 5499 1 942 . 1 1 84 84 ASP N N 15 127.400 . . . . . . . . . . . 5499 1 943 . 1 1 84 84 ASP C C 13 175.700 . . . . . . . . . . . 5499 1 944 . 1 1 84 84 ASP CA C 13 54.1800 . . . . . . . . . . . 5499 1 945 . 1 1 84 84 ASP CB C 13 43.3700 . . . . . . . . . . . 5499 1 946 . 1 1 84 84 ASP HA H 1 5.1890 . . . . . . . . . . . 5499 1 947 . 1 1 84 84 ASP HB2 H 1 2.5190 . . . . . . . . . . . 5499 1 948 . 1 1 85 85 LEU H H 1 9.2560 . . . . . . . . . . . 5499 1 949 . 1 1 85 85 LEU N N 15 123.600 . . . . . . . . . . . 5499 1 950 . 1 1 85 85 LEU C C 13 177.700 . . . . . . . . . . . 5499 1 951 . 1 1 85 85 LEU CA C 13 53.6200 . . . . . . . . . . . 5499 1 952 . 1 1 85 85 LEU CB C 13 47.2900 . . . . . . . . . . . 5499 1 953 . 1 1 85 85 LEU CG C 13 27.3400 . . . . . . . . . . . 5499 1 954 . 1 1 85 85 LEU CD1 C 13 27.1400 . . . . . . . . . . . 5499 1 955 . 1 1 85 85 LEU CD2 C 13 26.0400 . . . . . . . . . . . 5499 1 956 . 1 1 85 85 LEU HA H 1 5.2660 . . . . . . . . . . . 5499 1 957 . 1 1 85 85 LEU HB2 H 1 1.0620 . . . . . . . . . . . 5499 1 958 . 1 1 85 85 LEU HB3 H 1 1.6740 . . . . . . . . . . . 5499 1 959 . 1 1 85 85 LEU HG H 1 1.3140 . . . . . . . . . . . 5499 1 960 . 1 1 85 85 LEU HD11 H 1 0.4020 . . . . . . . . . . . 5499 1 961 . 1 1 85 85 LEU HD12 H 1 0.4020 . . . . . . . . . . . 5499 1 962 . 1 1 85 85 LEU HD13 H 1 0.4020 . . . . . . . . . . . 5499 1 963 . 1 1 85 85 LEU HD21 H 1 0.8580 . . . . . . . . . . . 5499 1 964 . 1 1 85 85 LEU HD22 H 1 0.8580 . . . . . . . . . . . 5499 1 965 . 1 1 85 85 LEU HD23 H 1 0.8580 . . . . . . . . . . . 5499 1 966 . 1 1 86 86 VAL H H 1 8.1240 . . . . . . . . . . . 5499 1 967 . 1 1 86 86 VAL N N 15 122.100 . . . . . . . . . . . 5499 1 968 . 1 1 86 86 VAL C C 13 176.400 . . . . . . . . . . . 5499 1 969 . 1 1 86 86 VAL CA C 13 63.5000 . . . . . . . . . . . 5499 1 970 . 1 1 86 86 VAL CB C 13 33.8700 . . . . . . . . . . . 5499 1 971 . 1 1 86 86 VAL CG1 C 13 21.750 . . . . . . . . . . . 5499 1 972 . 1 1 86 86 VAL CG2 C 13 21.750 . . . . . . . . . . . 5499 1 973 . 1 1 86 86 VAL HA H 1 4.7500 . . . . . . . . . . . 5499 1 974 . 1 1 86 86 VAL HB H 1 1.6680 . . . . . . . . . . . 5499 1 975 . 1 1 86 86 VAL HG11 H 1 0.8010 . . . . . . . . . . . 5499 1 976 . 1 1 86 86 VAL HG12 H 1 0.8010 . . . . . . . . . . . 5499 1 977 . 1 1 86 86 VAL HG13 H 1 0.8010 . . . . . . . . . . . 5499 1 978 . 1 1 86 86 VAL HG21 H 1 0.8380 . . . . . . . . . . . 5499 1 979 . 1 1 86 86 VAL HG22 H 1 0.8380 . . . . . . . . . . . 5499 1 980 . 1 1 86 86 VAL HG23 H 1 0.8380 . . . . . . . . . . . 5499 1 981 . 1 1 87 87 ILE H H 1 9.1480 . . . . . . . . . . . 5499 1 982 . 1 1 87 87 ILE N N 15 121.800 . . . . . . . . . . . 5499 1 983 . 1 1 87 87 ILE C C 13 175.400 . . . . . . . . . . . 5499 1 984 . 1 1 87 87 ILE CA C 13 56.9600 . . . . . . . . . . . 5499 1 985 . 1 1 87 87 ILE CB C 13 43.8000 . . . . . . . . . . . 5499 1 986 . 1 1 87 87 ILE CG1 C 13 27.6600 . . . . . . . . . . . 5499 1 987 . 1 1 87 87 ILE CG2 C 13 22.1300 . . . . . . . . . . . 5499 1 988 . 1 1 87 87 ILE CD1 C 13 16.7300 . . . . . . . . . . . 5499 1 989 . 1 1 87 87 ILE HA H 1 5.7490 . . . . . . . . . . . 5499 1 990 . 1 1 87 87 ILE HB H 1 1.9380 . . . . . . . . . . . 5499 1 991 . 1 1 87 87 ILE HG12 H 1 0.9880 . . . . . . . . . . . 5499 1 992 . 1 1 87 87 ILE HG13 H 1 1.3790 . . . . . . . . . . . 5499 1 993 . 1 1 87 87 ILE HG21 H 1 0.6350 . . . . . . . . . . . 5499 1 994 . 1 1 87 87 ILE HG22 H 1 0.6350 . . . . . . . . . . . 5499 1 995 . 1 1 87 87 ILE HG23 H 1 0.6350 . . . . . . . . . . . 5499 1 996 . 1 1 87 87 ILE HD11 H 1 0.6480 . . . . . . . . . . . 5499 1 997 . 1 1 87 87 ILE HD12 H 1 0.6480 . . . . . . . . . . . 5499 1 998 . 1 1 87 87 ILE HD13 H 1 0.6480 . . . . . . . . . . . 5499 1 999 . 1 1 88 88 SER H H 1 8.8990 . . . . . . . . . . . 5499 1 1000 . 1 1 88 88 SER N N 15 114.700 . . . . . . . . . . . 5499 1 1001 . 1 1 88 88 SER C C 13 173.300 . . . . . . . . . . . 5499 1 1002 . 1 1 88 88 SER CA C 13 56.6100 . . . . . . . . . . . 5499 1 1003 . 1 1 88 88 SER CB C 13 67.2300 . . . . . . . . . . . 5499 1 1004 . 1 1 88 88 SER HA H 1 5.6510 . . . . . . . . . . . 5499 1 1005 . 1 1 88 88 SER HB2 H 1 3.6340 . . . . . . . . . . . 5499 1 1006 . 1 1 88 88 SER HB3 H 1 3.8460 . . . . . . . . . . . 5499 1 1007 . 1 1 89 89 ARG H H 1 8.7830 . . . . . . . . . . . 5499 1 1008 . 1 1 89 89 ARG N N 15 121.300 . . . . . . . . . . . 5499 1 1009 . 1 1 89 89 ARG C C 13 174.900 . . . . . . . . . . . 5499 1 1010 . 1 1 89 89 ARG CA C 13 55.11000 . . . . . . . . . . . 5499 1 1011 . 1 1 89 89 ARG CB C 13 35.3600 . . . . . . . . . . . 5499 1 1012 . 1 1 89 89 ARG CG C 13 26.7700 . . . . . . . . . . . 5499 1 1013 . 1 1 89 89 ARG CD C 13 43.9900 . . . . . . . . . . . 5499 1 1014 . 1 1 89 89 ARG HA H 1 4.9800 . . . . . . . . . . . 5499 1 1015 . 1 1 89 89 ARG HB2 H 1 1.700 . . . . . . . . . . . 5499 1 1016 . 1 1 89 89 ARG HB3 H 1 2.1600 . . . . . . . . . . . 5499 1 1017 . 1 1 89 89 ARG HG2 H 1 1.3900 . . . . . . . . . . . 5499 1 1018 . 1 1 89 89 ARG HG3 H 1 1.4790 . . . . . . . . . . . 5499 1 1019 . 1 1 89 89 ARG HD2 H 1 3.045 . . . . . . . . . . . 5499 1 1020 . 1 1 90 90 ASN H H 1 8.9970 . . . . . . . . . . . 5499 1 1021 . 1 1 90 90 ASN N N 15 123.800 . . . . . . . . . . . 5499 1 1022 . 1 1 90 90 ASN CA C 13 51.7600 . . . . . . . . . . . 5499 1 1023 . 1 1 90 90 ASN CB C 13 39.0900 . . . . . . . . . . . 5499 1 1024 . 1 1 90 90 ASN HA H 1 5.2000 . . . . . . . . . . . 5499 1 1025 . 1 1 90 90 ASN HB2 H 1 2.6900 . . . . . . . . . . . 5499 1 1026 . 1 1 90 90 ASN HB3 H 1 2.9000 . . . . . . . . . . . 5499 1 1027 . 1 1 91 91 PRO CA C 13 65.5500 . . . . . . . . . . . 5499 1 1028 . 1 1 91 91 PRO CB C 13 32.9700 . . . . . . . . . . . 5499 1 1029 . 1 1 91 91 PRO CG C 13 27.9000 . . . . . . . . . . . 5499 1 1030 . 1 1 91 91 PRO CD C 13 51.3900 . . . . . . . . . . . 5499 1 1031 . 1 1 91 91 PRO HA H 1 4.1890 . . . . . . . . . . . 5499 1 1032 . 1 1 91 91 PRO HB2 H 1 1.9100 . . . . . . . . . . . 5499 1 1033 . 1 1 91 91 PRO HB3 H 1 2.1980 . . . . . . . . . . . 5499 1 1034 . 1 1 91 91 PRO HG2 H 1 1.9250 . . . . . . . . . . . 5499 1 1035 . 1 1 91 91 PRO HG3 H 1 2.0180 . . . . . . . . . . . 5499 1 1036 . 1 1 91 91 PRO HD2 H 1 3.7230 . . . . . . . . . . . 5499 1 1037 . 1 1 91 91 PRO HD3 H 1 3.8150 . . . . . . . . . . . 5499 1 stop_ save_