data_16137 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16137 _Entry.Title ; NMR structure of the first SAM domain from AIDA1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-27 _Entry.Accession_date 2009-01-27 _Entry.Last_release_date 2015-07-24 _Entry.Original_release_date 2015-07-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Logan Donaldson . . . 16137 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16137 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SAM domain' . 16137 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16137 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 257 16137 '15N chemical shifts' 61 16137 '1H chemical shifts' 411 16137 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 2 . . 2010-06-02 2009-01-27 update BMRB 'edit assembly name' 16137 1 . . 2009-10-20 2009-01-27 original author 'original release' 16137 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KE7 'BMRB Entry Tracking System' 16137 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16137 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR structure of the first SAM domain from AIDA1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Logan Donaldson . . . 16137 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'SAM domain' 16137 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16137 _Assembly.ID 1 _Assembly.Name AIDA1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 AIDA1_SAM1 1 $AIDA1_SAM1 A . yes native no no . . . 16137 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AIDA1_SAM1 _Entity.Sf_category entity _Entity.Sf_framecode AIDA1_SAM1 _Entity.Entry_ID 16137 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AIDA1_SAM1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSDITSLYKKAGSEMNGPRC PVQTVGQWLESIGLPQYENH LMANGFDNVQFMGSNVMEDQ DLLEIGILNSGHRQRILQAI QLLPKMRPIGHDGYHPTSVA EWL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'first SAM domain' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB AY283057.2 . AIDA1b . . . . . . . . . . . . . . 16137 1 2 no PDB 2KE7 . "Nmr Structure Of The First Sam Domain From Aida1" . . . . . 100.00 103 100.00 100.00 1.52e-69 . . . . 16137 1 3 no DBJ BAE01854 . "unnamed protein product [Macaca fascicularis]" . . . . . 86.41 426 97.75 98.88 2.91e-55 . . . . 16137 1 4 no DBJ BAG57507 . "unnamed protein product [Homo sapiens]" . . . . . 84.47 394 100.00 100.00 2.12e-55 . . . . 16137 1 5 no DBJ BAI47262 . "ankyrin repeat and sterile alpha motif domain containing 1B [synthetic construct]" . . . . . 86.41 414 97.75 98.88 2.00e-55 . . . . 16137 1 6 no EMBL CAH91693 . "hypothetical protein [Pongo abelii]" . . . . . 86.41 510 97.75 98.88 1.67e-54 . . . . 16137 1 7 no GB AAF80756 . "putative 47 kDa protein [Homo sapiens]" . . . . . 86.41 414 97.75 98.88 2.00e-55 . . . . 16137 1 8 no GB AAH26313 . "Ankyrin repeat and sterile alpha motif domain containing 1B [Homo sapiens]" . . . . . 86.41 510 97.75 98.88 1.60e-54 . . . . 16137 1 9 no GB AAH68451 . "ANKS1B protein [Homo sapiens]" . . . . . 60.19 357 100.00 100.00 7.79e-35 . . . . 16137 1 10 no GB AAH98373 . "Ankyrin repeat and sterile alpha motif domain containing 1B [Mus musculus]" . . . . . 60.19 404 98.39 100.00 8.24e-34 . . . . 16137 1 11 no GB AAI49112 . "ANKS1B protein [Bos taurus]" . . . . . 86.41 509 97.75 98.88 1.68e-54 . . . . 16137 1 12 no REF NP_001095761 . "ankyrin repeat and sterile alpha motif domain-containing protein 1B [Bos taurus]" . . . . . 86.41 509 97.75 98.88 1.68e-54 . . . . 16137 1 13 no REF NP_001121558 . "ankyrin repeat and sterile alpha motif domain-containing protein 1B isoform 1 [Mus musculus]" . . . . . 86.41 1255 98.88 100.00 6.47e-54 . . . . 16137 1 14 no REF NP_001125990 . "ankyrin repeat and sterile alpha motif domain-containing protein 1B [Pongo abelii]" . . . . . 86.41 510 97.75 98.88 1.67e-54 . . . . 16137 1 15 no REF NP_001170868 . "ankyrin repeat and sterile alpha motif domain-containing protein 1B isoform 4 [Mus musculus]" . . . . . 60.19 404 98.39 100.00 8.24e-34 . . . . 16137 1 16 no REF NP_001190995 . "ankyrin repeat and sterile alpha motif domain-containing protein 1B isoform e [Homo sapiens]" . . . . . 60.19 357 100.00 100.00 8.03e-35 . . . . 16137 1 17 no TPG DAA29568 . "TPA: cajalin 2 [Bos taurus]" . . . . . 86.41 509 97.75 98.88 1.68e-54 . . . . 16137 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16137 1 2 . SER . 16137 1 3 . ASP . 16137 1 4 . ILE . 16137 1 5 . THR . 16137 1 6 . SER . 16137 1 7 . LEU . 16137 1 8 . TYR . 16137 1 9 . LYS . 16137 1 10 . LYS . 16137 1 11 . ALA . 16137 1 12 . GLY . 16137 1 13 . SER . 16137 1 14 . GLU . 16137 1 15 . MET . 16137 1 16 . ASN . 16137 1 17 . GLY . 16137 1 18 . PRO . 16137 1 19 . ARG . 16137 1 20 . CYS . 16137 1 21 . PRO . 16137 1 22 . VAL . 16137 1 23 . GLN . 16137 1 24 . THR . 16137 1 25 . VAL . 16137 1 26 . GLY . 16137 1 27 . GLN . 16137 1 28 . TRP . 16137 1 29 . LEU . 16137 1 30 . GLU . 16137 1 31 . SER . 16137 1 32 . ILE . 16137 1 33 . GLY . 16137 1 34 . LEU . 16137 1 35 . PRO . 16137 1 36 . GLN . 16137 1 37 . TYR . 16137 1 38 . GLU . 16137 1 39 . ASN . 16137 1 40 . HIS . 16137 1 41 . LEU . 16137 1 42 . MET . 16137 1 43 . ALA . 16137 1 44 . ASN . 16137 1 45 . GLY . 16137 1 46 . PHE . 16137 1 47 . ASP . 16137 1 48 . ASN . 16137 1 49 . VAL . 16137 1 50 . GLN . 16137 1 51 . PHE . 16137 1 52 . MET . 16137 1 53 . GLY . 16137 1 54 . SER . 16137 1 55 . ASN . 16137 1 56 . VAL . 16137 1 57 . MET . 16137 1 58 . GLU . 16137 1 59 . ASP . 16137 1 60 . GLN . 16137 1 61 . ASP . 16137 1 62 . LEU . 16137 1 63 . LEU . 16137 1 64 . GLU . 16137 1 65 . ILE . 16137 1 66 . GLY . 16137 1 67 . ILE . 16137 1 68 . LEU . 16137 1 69 . ASN . 16137 1 70 . SER . 16137 1 71 . GLY . 16137 1 72 . HIS . 16137 1 73 . ARG . 16137 1 74 . GLN . 16137 1 75 . ARG . 16137 1 76 . ILE . 16137 1 77 . LEU . 16137 1 78 . GLN . 16137 1 79 . ALA . 16137 1 80 . ILE . 16137 1 81 . GLN . 16137 1 82 . LEU . 16137 1 83 . LEU . 16137 1 84 . PRO . 16137 1 85 . LYS . 16137 1 86 . MET . 16137 1 87 . ARG . 16137 1 88 . PRO . 16137 1 89 . ILE . 16137 1 90 . GLY . 16137 1 91 . HIS . 16137 1 92 . ASP . 16137 1 93 . GLY . 16137 1 94 . TYR . 16137 1 95 . HIS . 16137 1 96 . PRO . 16137 1 97 . THR . 16137 1 98 . SER . 16137 1 99 . VAL . 16137 1 100 . ALA . 16137 1 101 . GLU . 16137 1 102 . TRP . 16137 1 103 . LEU . 16137 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16137 1 . SER 2 2 16137 1 . ASP 3 3 16137 1 . ILE 4 4 16137 1 . THR 5 5 16137 1 . SER 6 6 16137 1 . LEU 7 7 16137 1 . TYR 8 8 16137 1 . LYS 9 9 16137 1 . LYS 10 10 16137 1 . ALA 11 11 16137 1 . GLY 12 12 16137 1 . SER 13 13 16137 1 . GLU 14 14 16137 1 . MET 15 15 16137 1 . ASN 16 16 16137 1 . GLY 17 17 16137 1 . PRO 18 18 16137 1 . ARG 19 19 16137 1 . CYS 20 20 16137 1 . PRO 21 21 16137 1 . VAL 22 22 16137 1 . GLN 23 23 16137 1 . THR 24 24 16137 1 . VAL 25 25 16137 1 . GLY 26 26 16137 1 . GLN 27 27 16137 1 . TRP 28 28 16137 1 . LEU 29 29 16137 1 . GLU 30 30 16137 1 . SER 31 31 16137 1 . ILE 32 32 16137 1 . GLY 33 33 16137 1 . LEU 34 34 16137 1 . PRO 35 35 16137 1 . GLN 36 36 16137 1 . TYR 37 37 16137 1 . GLU 38 38 16137 1 . ASN 39 39 16137 1 . HIS 40 40 16137 1 . LEU 41 41 16137 1 . MET 42 42 16137 1 . ALA 43 43 16137 1 . ASN 44 44 16137 1 . GLY 45 45 16137 1 . PHE 46 46 16137 1 . ASP 47 47 16137 1 . ASN 48 48 16137 1 . VAL 49 49 16137 1 . GLN 50 50 16137 1 . PHE 51 51 16137 1 . MET 52 52 16137 1 . GLY 53 53 16137 1 . SER 54 54 16137 1 . ASN 55 55 16137 1 . VAL 56 56 16137 1 . MET 57 57 16137 1 . GLU 58 58 16137 1 . ASP 59 59 16137 1 . GLN 60 60 16137 1 . ASP 61 61 16137 1 . LEU 62 62 16137 1 . LEU 63 63 16137 1 . GLU 64 64 16137 1 . ILE 65 65 16137 1 . GLY 66 66 16137 1 . ILE 67 67 16137 1 . LEU 68 68 16137 1 . ASN 69 69 16137 1 . SER 70 70 16137 1 . GLY 71 71 16137 1 . HIS 72 72 16137 1 . ARG 73 73 16137 1 . GLN 74 74 16137 1 . ARG 75 75 16137 1 . ILE 76 76 16137 1 . LEU 77 77 16137 1 . GLN 78 78 16137 1 . ALA 79 79 16137 1 . ILE 80 80 16137 1 . GLN 81 81 16137 1 . LEU 82 82 16137 1 . LEU 83 83 16137 1 . PRO 84 84 16137 1 . LYS 85 85 16137 1 . MET 86 86 16137 1 . ARG 87 87 16137 1 . PRO 88 88 16137 1 . ILE 89 89 16137 1 . GLY 90 90 16137 1 . HIS 91 91 16137 1 . ASP 92 92 16137 1 . GLY 93 93 16137 1 . TYR 94 94 16137 1 . HIS 95 95 16137 1 . PRO 96 96 16137 1 . THR 97 97 16137 1 . SER 98 98 16137 1 . VAL 99 99 16137 1 . ALA 100 100 16137 1 . GLU 101 101 16137 1 . TRP 102 102 16137 1 . LEU 103 103 16137 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 16137 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AIDA1_SAM1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 16137 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 16137 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AIDA1_SAM1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3) . . . . pDEST586 . . ; This vector is from the NIH structural genomics consortium. It contains a His6 tag, Maltose Binding Protein tag and a TEV protease cleavage site ; 16137 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NMRsample _Sample.Sf_category sample _Sample.Sf_framecode NMRsample _Sample.Entry_ID 16137 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'AIDA1 SAM1' '[U-98% 13C; U-98% 15N]' . . 1 $AIDA1_SAM1 . . 0.8 . . mM . . . . 16137 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16137 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16137 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16137 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16137 1 6 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16137 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16137 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 16137 1 pH 7.8 . pH 16137 1 pressure 1.0 . atm 16137 1 temperature 293 . K 16137 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16137 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16137 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16137 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16137 _Software.ID 2 _Software.Name NMRView _Software.Version 5 _Software.Details 'custom OS X version' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16137 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16137 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16137 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16137 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16137 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16137 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model NMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16137 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian NMRS . 600 'equipped with Gen3 salt-tolerant cold probe' . . 16137 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 16137 _Experiment_list.ID 1 _Experiment_list.Details 'This structure was determined using NOE restraints and dihedral angle restraints predicted from chemical shifts' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $NMRsample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16137 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $NMRsample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16137 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NMRsample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16137 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $NMRsample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16137 1 5 '3D HNCO' no . . . . . . . . . . 1 $NMRsample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16137 1 6 '3D HNCACB' no . . . . . . . . . . 1 $NMRsample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16137 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $NMRsample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16137 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $NMRsample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16137 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $NMRsample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16137 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16137 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 're-referenced with PREDITOR from the Wishart Laboratory' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16137 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16137 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16137 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_assignments_aida3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_aida3 _Assigned_chem_shift_list.Entry_ID 16137 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 ; PREDITOR applied the following reference corrections to the chemical shifts: CA=-0.31, CB=0.30, CO=-0.65, HA=-0.02, N=-0.04, HN=-0.13 ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16137 1 2 '2D 1H-13C HSQC' . . . 16137 1 3 '3D CBCA(CO)NH' . . . 16137 1 4 '3D C(CO)NH' . . . 16137 1 5 '3D HNCO' . . . 16137 1 6 '3D HNCACB' . . . 16137 1 7 '3D H(CCO)NH' . . . 16137 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRView . . 16137 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 14 14 GLU H H 1 7.91 0.02 . . . . . . 14 GLU H . 16137 1 2 . 1 1 14 14 GLU C C 13 174.05 0.40 . . . . . . 14 GLU C . 16137 1 3 . 1 1 14 14 GLU N N 15 123.55 0.10 . . . . . . 14 GLU N . 16137 1 4 . 1 1 21 21 PRO CG C 13 26.76 0.40 . . . . . . 21 PRO CG . 16137 1 5 . 1 1 22 22 VAL H H 1 7.99 0.02 . . . . . . 22 VAL H . 16137 1 6 . 1 1 22 22 VAL HA H 1 4.12 0.02 . . . . . . 22 VAL HA . 16137 1 7 . 1 1 22 22 VAL HB H 1 2.06 0.02 . . . . . . 22 VAL HB . 16137 1 8 . 1 1 22 22 VAL HG11 H 1 0.95 0.02 . . . . . . 22 VAL HG11 . 16137 1 9 . 1 1 22 22 VAL HG12 H 1 0.95 0.02 . . . . . . 22 VAL HG12 . 16137 1 10 . 1 1 22 22 VAL HG13 H 1 0.95 0.02 . . . . . . 22 VAL HG13 . 16137 1 11 . 1 1 22 22 VAL HG21 H 1 0.87 0.02 . . . . . . 22 VAL HG21 . 16137 1 12 . 1 1 22 22 VAL HG22 H 1 0.87 0.02 . . . . . . 22 VAL HG22 . 16137 1 13 . 1 1 22 22 VAL HG23 H 1 0.87 0.02 . . . . . . 22 VAL HG23 . 16137 1 14 . 1 1 22 22 VAL C C 13 175.65 0.40 . . . . . . 22 VAL C . 16137 1 15 . 1 1 22 22 VAL CA C 13 62.08 0.40 . . . . . . 22 VAL CA . 16137 1 16 . 1 1 22 22 VAL CB C 13 33.03 0.40 . . . . . . 22 VAL CB . 16137 1 17 . 1 1 22 22 VAL CG1 C 13 21.14 0.40 . . . . . . 22 VAL CG1 . 16137 1 18 . 1 1 22 22 VAL CG2 C 13 21.13 0.40 . . . . . . 22 VAL CG2 . 16137 1 19 . 1 1 22 22 VAL N N 15 119.21 0.10 . . . . . . 22 VAL N . 16137 1 20 . 1 1 23 23 GLN H H 1 8.26 0.02 . . . . . . 23 GLN H . 16137 1 21 . 1 1 23 23 GLN HA H 1 4.60 0.02 . . . . . . 23 GLN HA . 16137 1 22 . 1 1 23 23 GLN HB2 H 1 2.23 0.02 . . . . . . 23 GLN HB2 . 16137 1 23 . 1 1 23 23 GLN HB3 H 1 1.93 0.02 . . . . . . 23 GLN HB3 . 16137 1 24 . 1 1 23 23 GLN HG2 H 1 2.41 0.02 . . . . . . 23 GLN HG2 . 16137 1 25 . 1 1 23 23 GLN HG3 H 1 2.54 0.02 . . . . . . 23 GLN HG3 . 16137 1 26 . 1 1 23 23 GLN C C 13 175.26 0.40 . . . . . . 23 GLN C . 16137 1 27 . 1 1 23 23 GLN CA C 13 55.51 0.40 . . . . . . 23 GLN CA . 16137 1 28 . 1 1 23 23 GLN CB C 13 31.15 0.40 . . . . . . 23 GLN CB . 16137 1 29 . 1 1 23 23 GLN CG C 13 34.26 0.40 . . . . . . 23 GLN CG . 16137 1 30 . 1 1 23 23 GLN N N 15 124.86 0.10 . . . . . . 23 GLN N . 16137 1 31 . 1 1 24 24 THR H H 1 8.24 0.02 . . . . . . 24 THR H . 16137 1 32 . 1 1 24 24 THR HA H 1 4.80 0.02 . . . . . . 24 THR HA . 16137 1 33 . 1 1 24 24 THR HB H 1 4.58 0.02 . . . . . . 24 THR HB . 16137 1 34 . 1 1 24 24 THR HG21 H 1 1.35 0.02 . . . . . . 24 THR HG21 . 16137 1 35 . 1 1 24 24 THR HG22 H 1 1.35 0.02 . . . . . . 24 THR HG22 . 16137 1 36 . 1 1 24 24 THR HG23 H 1 1.35 0.02 . . . . . . 24 THR HG23 . 16137 1 37 . 1 1 24 24 THR C C 13 175.45 0.40 . . . . . . 24 THR C . 16137 1 38 . 1 1 24 24 THR CA C 13 60.20 0.40 . . . . . . 24 THR CA . 16137 1 39 . 1 1 24 24 THR CB C 13 70.53 0.40 . . . . . . 24 THR CB . 16137 1 40 . 1 1 24 24 THR CG2 C 13 22.07 0.40 . . . . . . 24 THR CG2 . 16137 1 41 . 1 1 24 24 THR N N 15 113.13 0.10 . . . . . . 24 THR N . 16137 1 42 . 1 1 25 25 VAL H H 1 8.88 0.02 . . . . . . 25 VAL H . 16137 1 43 . 1 1 25 25 VAL HA H 1 3.76 0.02 . . . . . . 25 VAL HA . 16137 1 44 . 1 1 25 25 VAL HB H 1 2.27 0.02 . . . . . . 25 VAL HB . 16137 1 45 . 1 1 25 25 VAL HG11 H 1 1.05 0.02 . . . . . . 25 VAL HG11 . 16137 1 46 . 1 1 25 25 VAL HG12 H 1 1.05 0.02 . . . . . . 25 VAL HG12 . 16137 1 47 . 1 1 25 25 VAL HG13 H 1 1.05 0.02 . . . . . . 25 VAL HG13 . 16137 1 48 . 1 1 25 25 VAL HG21 H 1 1.15 0.02 . . . . . . 25 VAL HG21 . 16137 1 49 . 1 1 25 25 VAL HG22 H 1 1.15 0.02 . . . . . . 25 VAL HG22 . 16137 1 50 . 1 1 25 25 VAL HG23 H 1 1.15 0.02 . . . . . . 25 VAL HG23 . 16137 1 51 . 1 1 25 25 VAL C C 13 174.89 0.40 . . . . . . 25 VAL C . 16137 1 52 . 1 1 25 25 VAL CB C 13 32.09 0.40 . . . . . . 25 VAL CB . 16137 1 53 . 1 1 25 25 VAL CG1 C 13 23.76 0.40 . . . . . . 25 VAL CG1 . 16137 1 54 . 1 1 25 25 VAL CG2 C 13 22.19 0.40 . . . . . . 25 VAL CG2 . 16137 1 55 . 1 1 25 25 VAL N N 15 121.38 0.10 . . . . . . 25 VAL N . 16137 1 56 . 1 1 26 26 GLY H H 1 8.87 0.02 . . . . . . 26 GLY H . 16137 1 57 . 1 1 26 26 GLY HA2 H 1 3.62 0.02 . . . . . . 26 GLY HA2 . 16137 1 58 . 1 1 26 26 GLY HA3 H 1 3.93 0.02 . . . . . . 26 GLY HA3 . 16137 1 59 . 1 1 26 26 GLY C C 13 177.62 0.40 . . . . . . 26 GLY C . 16137 1 60 . 1 1 26 26 GLY CA C 13 47.08 0.40 . . . . . . 26 GLY CA . 16137 1 61 . 1 1 26 26 GLY N N 15 107.49 0.10 . . . . . . 26 GLY N . 16137 1 62 . 1 1 27 27 GLN H H 1 7.91 0.02 . . . . . . 27 GLN H . 16137 1 63 . 1 1 27 27 GLN HA H 1 4.09 0.02 . . . . . . 27 GLN HA . 16137 1 64 . 1 1 27 27 GLN HG2 H 1 2.55 0.02 . . . . . . 27 GLN HG2 . 16137 1 65 . 1 1 27 27 GLN HG3 H 1 2.61 0.02 . . . . . . 27 GLN HG3 . 16137 1 66 . 1 1 27 27 GLN C C 13 175.52 0.40 . . . . . . 27 GLN C . 16137 1 67 . 1 1 27 27 GLN CA C 13 58.33 0.40 . . . . . . 27 GLN CA . 16137 1 68 . 1 1 27 27 GLN CB C 13 28.34 0.40 . . . . . . 27 GLN CB . 16137 1 69 . 1 1 27 27 GLN CG C 13 34.26 0.40 . . . . . . 27 GLN CG . 16137 1 70 . 1 1 27 27 GLN N N 15 122.25 0.10 . . . . . . 27 GLN N . 16137 1 71 . 1 1 28 28 TRP H H 1 8.63 0.02 . . . . . . 28 TRP H . 16137 1 72 . 1 1 28 28 TRP HA H 1 4.25 0.02 . . . . . . 28 TRP HA . 16137 1 73 . 1 1 28 28 TRP HB2 H 1 3.52 0.02 . . . . . . 28 TRP HB2 . 16137 1 74 . 1 1 28 28 TRP HB3 H 1 3.09 0.02 . . . . . . 28 TRP HB3 . 16137 1 75 . 1 1 28 28 TRP HD1 H 1 7.24 0.02 . . . . . . 28 TRP HD1 . 16137 1 76 . 1 1 28 28 TRP HE1 H 1 10.28 0.02 . . . . . . 28 TRP HE1 . 16137 1 77 . 1 1 28 28 TRP HE3 H 1 7.50 0.02 . . . . . . 28 TRP HE3 . 16137 1 78 . 1 1 28 28 TRP HH2 H 1 6.92 0.02 . . . . . . 28 TRP HH2 . 16137 1 79 . 1 1 28 28 TRP HZ2 H 1 6.98 0.02 . . . . . . 28 TRP HZ2 . 16137 1 80 . 1 1 28 28 TRP HZ3 H 1 6.70 0.02 . . . . . . 28 TRP HZ3 . 16137 1 81 . 1 1 28 28 TRP C C 13 178.82 0.40 . . . . . . 28 TRP C . 16137 1 82 . 1 1 28 28 TRP CA C 13 61.14 0.40 . . . . . . 28 TRP CA . 16137 1 83 . 1 1 28 28 TRP CB C 13 28.34 0.40 . . . . . . 28 TRP CB . 16137 1 84 . 1 1 28 28 TRP CD1 C 13 127.15 0.40 . . . . . . 28 TRP CD1 . 16137 1 85 . 1 1 28 28 TRP CE3 C 13 119.16 0.40 . . . . . . 28 TRP CE3 . 16137 1 86 . 1 1 28 28 TRP CH2 C 13 123.54 0.40 . . . . . . 28 TRP CH2 . 16137 1 87 . 1 1 28 28 TRP CZ2 C 13 113.37 0.40 . . . . . . 28 TRP CZ2 . 16137 1 88 . 1 1 28 28 TRP CZ3 C 13 120.75 0.40 . . . . . . 28 TRP CZ3 . 16137 1 89 . 1 1 28 28 TRP N N 15 123.99 0.10 . . . . . . 28 TRP N . 16137 1 90 . 1 1 28 28 TRP NE1 N 15 130.14 0.10 . . . . . . 28 TRP NE1 . 16137 1 91 . 1 1 29 29 LEU H H 1 9.01 0.02 . . . . . . 29 LEU H . 16137 1 92 . 1 1 29 29 LEU HA H 1 3.42 0.02 . . . . . . 29 LEU HA . 16137 1 93 . 1 1 29 29 LEU HB2 H 1 1.32 0.02 . . . . . . 29 LEU HB2 . 16137 1 94 . 1 1 29 29 LEU HB3 H 1 1.79 0.02 . . . . . . 29 LEU HB3 . 16137 1 95 . 1 1 29 29 LEU HD11 H 1 0.87 0.02 . . . . . . 29 LEU HD11 . 16137 1 96 . 1 1 29 29 LEU HD12 H 1 0.87 0.02 . . . . . . 29 LEU HD12 . 16137 1 97 . 1 1 29 29 LEU HD13 H 1 0.87 0.02 . . . . . . 29 LEU HD13 . 16137 1 98 . 1 1 29 29 LEU HD21 H 1 0.56 0.02 . . . . . . 29 LEU HD21 . 16137 1 99 . 1 1 29 29 LEU HD22 H 1 0.56 0.02 . . . . . . 29 LEU HD22 . 16137 1 100 . 1 1 29 29 LEU HD23 H 1 0.56 0.02 . . . . . . 29 LEU HD23 . 16137 1 101 . 1 1 29 29 LEU HG H 1 2.00 0.02 . . . . . . 29 LEU HG . 16137 1 102 . 1 1 29 29 LEU C C 13 178.87 0.40 . . . . . . 29 LEU C . 16137 1 103 . 1 1 29 29 LEU CA C 13 56.99 0.40 . . . . . . 29 LEU CA . 16137 1 104 . 1 1 29 29 LEU CB C 13 41.26 0.40 . . . . . . 29 LEU CB . 16137 1 105 . 1 1 29 29 LEU CD1 C 13 26.68 0.40 . . . . . . 29 LEU CD1 . 16137 1 106 . 1 1 29 29 LEU CD2 C 13 21.33 0.40 . . . . . . 29 LEU CD2 . 16137 1 107 . 1 1 29 29 LEU N N 15 120.21 0.10 . . . . . . 29 LEU N . 16137 1 108 . 1 1 30 30 GLU H H 1 8.19 0.02 . . . . . . 30 GLU H . 16137 1 109 . 1 1 30 30 GLU HA H 1 3.74 0.02 . . . . . . 30 GLU HA . 16137 1 110 . 1 1 30 30 GLU HB2 H 1 2.18 0.02 . . . . . . 30 GLU HB2 . 16137 1 111 . 1 1 30 30 GLU HB3 H 1 2.09 0.02 . . . . . . 30 GLU HB3 . 16137 1 112 . 1 1 30 30 GLU HG2 H 1 2.22 0.02 . . . . . . 30 GLU HG2 . 16137 1 113 . 1 1 30 30 GLU HG3 H 1 2.28 0.02 . . . . . . 30 GLU HG3 . 16137 1 114 . 1 1 30 30 GLU C C 13 179.87 0.40 . . . . . . 30 GLU C . 16137 1 115 . 1 1 30 30 GLU CA C 13 60.20 0.40 . . . . . . 30 GLU CA . 16137 1 116 . 1 1 30 30 GLU CB C 13 28.34 0.40 . . . . . . 30 GLU CB . 16137 1 117 . 1 1 30 30 GLU CG C 13 36.14 0.40 . . . . . . 30 GLU CG . 16137 1 118 . 1 1 30 30 GLU N N 15 120.08 0.10 . . . . . . 30 GLU N . 16137 1 119 . 1 1 31 31 SER H H 1 7.81 0.02 . . . . . . 31 SER H . 16137 1 120 . 1 1 31 31 SER HA H 1 4.26 0.02 . . . . . . 31 SER HA . 16137 1 121 . 1 1 31 31 SER HB2 H 1 4.03 0.02 . . . . . . 31 SER HB2 . 16137 1 122 . 1 1 31 31 SER HB3 H 1 4.03 0.02 . . . . . . 31 SER HB3 . 16137 1 123 . 1 1 31 31 SER C C 13 179.36 0.40 . . . . . . 31 SER C . 16137 1 124 . 1 1 31 31 SER CA C 13 61.14 0.40 . . . . . . 31 SER CA . 16137 1 125 . 1 1 31 31 SER CB C 13 63.03 0.40 . . . . . . 31 SER CB . 16137 1 126 . 1 1 31 31 SER N N 15 117.04 0.10 . . . . . . 31 SER N . 16137 1 127 . 1 1 32 32 ILE H H 1 6.81 0.02 . . . . . . 32 ILE H . 16137 1 128 . 1 1 32 32 ILE HA H 1 4.49 0.02 . . . . . . 32 ILE HA . 16137 1 129 . 1 1 32 32 ILE HB H 1 1.85 0.02 . . . . . . 32 ILE HB . 16137 1 130 . 1 1 32 32 ILE HD11 H 1 0.02 0.02 . . . . . . 32 ILE HD11 . 16137 1 131 . 1 1 32 32 ILE HD12 H 1 0.02 0.02 . . . . . . 32 ILE HD12 . 16137 1 132 . 1 1 32 32 ILE HD13 H 1 0.02 0.02 . . . . . . 32 ILE HD13 . 16137 1 133 . 1 1 32 32 ILE HG12 H 1 0.88 0.02 . . . . . . 32 ILE HG12 . 16137 1 134 . 1 1 32 32 ILE HG13 H 1 0.72 0.02 . . . . . . 32 ILE HG13 . 16137 1 135 . 1 1 32 32 ILE HG21 H 1 0.47 0.02 . . . . . . 32 ILE HG21 . 16137 1 136 . 1 1 32 32 ILE HG22 H 1 0.47 0.02 . . . . . . 32 ILE HG22 . 16137 1 137 . 1 1 32 32 ILE HG23 H 1 0.47 0.02 . . . . . . 32 ILE HG23 . 16137 1 138 . 1 1 32 32 ILE C C 13 174.73 0.40 . . . . . . 32 ILE C . 16137 1 139 . 1 1 32 32 ILE CA C 13 60.67 0.40 . . . . . . 32 ILE CA . 16137 1 140 . 1 1 32 32 ILE CB C 13 37.71 0.40 . . . . . . 32 ILE CB . 16137 1 141 . 1 1 32 32 ILE CD1 C 13 14.52 0.40 . . . . . . 32 ILE CD1 . 16137 1 142 . 1 1 32 32 ILE CG1 C 13 26.17 0.40 . . . . . . 32 ILE CG1 . 16137 1 143 . 1 1 32 32 ILE CG2 C 13 16.81 0.40 . . . . . . 32 ILE CG2 . 16137 1 144 . 1 1 32 32 ILE N N 15 114.00 0.10 . . . . . . 32 ILE N . 16137 1 145 . 1 1 33 33 GLY H H 1 7.53 0.02 . . . . . . 33 GLY H . 16137 1 146 . 1 1 33 33 GLY HA2 H 1 4.00 0.02 . . . . . . 33 GLY HA2 . 16137 1 147 . 1 1 33 33 GLY HA3 H 1 3.80 0.02 . . . . . . 33 GLY HA3 . 16137 1 148 . 1 1 33 33 GLY C C 13 175.12 0.40 . . . . . . 33 GLY C . 16137 1 149 . 1 1 33 33 GLY CA C 13 45.20 0.40 . . . . . . 33 GLY CA . 16137 1 150 . 1 1 33 33 GLY N N 15 109.66 0.10 . . . . . . 33 GLY N . 16137 1 151 . 1 1 34 34 LEU H H 1 7.52 0.02 . . . . . . 34 LEU H . 16137 1 152 . 1 1 34 34 LEU HA H 1 4.96 0.02 . . . . . . 34 LEU HA . 16137 1 153 . 1 1 34 34 LEU HB2 H 1 1.51 0.02 . . . . . . 34 LEU HB2 . 16137 1 154 . 1 1 34 34 LEU HB3 H 1 1.12 0.02 . . . . . . 34 LEU HB3 . 16137 1 155 . 1 1 34 34 LEU HD11 H 1 0.65 0.02 . . . . . . 34 LEU HD11 . 16137 1 156 . 1 1 34 34 LEU HD12 H 1 0.65 0.02 . . . . . . 34 LEU HD12 . 16137 1 157 . 1 1 34 34 LEU HD13 H 1 0.65 0.02 . . . . . . 34 LEU HD13 . 16137 1 158 . 1 1 34 34 LEU HD21 H 1 0.17 0.02 . . . . . . 34 LEU HD21 . 16137 1 159 . 1 1 34 34 LEU HD22 H 1 0.17 0.02 . . . . . . 34 LEU HD22 . 16137 1 160 . 1 1 34 34 LEU HD23 H 1 0.17 0.02 . . . . . . 34 LEU HD23 . 16137 1 161 . 1 1 34 34 LEU HG H 1 1.16 0.02 . . . . . . 34 LEU HG . 16137 1 162 . 1 1 34 34 LEU C C 13 172.99 0.40 . . . . . . 34 LEU C . 16137 1 163 . 1 1 34 34 LEU CA C 13 51.77 0.40 . . . . . . 34 LEU CA . 16137 1 164 . 1 1 34 34 LEU CB C 13 43.34 0.40 . . . . . . 34 LEU CB . 16137 1 165 . 1 1 34 34 LEU CD1 C 13 27.48 0.40 . . . . . . 34 LEU CD1 . 16137 1 166 . 1 1 34 34 LEU CD2 C 13 22.08 0.40 . . . . . . 34 LEU CD2 . 16137 1 167 . 1 1 34 34 LEU CG C 13 25.24 0.40 . . . . . . 34 LEU CG . 16137 1 168 . 1 1 34 34 LEU N N 15 118.78 0.10 . . . . . . 34 LEU N . 16137 1 169 . 1 1 35 35 PRO HA H 1 4.12 0.02 . . . . . . 35 PRO HA . 16137 1 170 . 1 1 35 35 PRO HB2 H 1 2.06 0.02 . . . . . . 35 PRO HB2 . 16137 1 171 . 1 1 35 35 PRO HD2 H 1 3.65 0.02 . . . . . . 35 PRO HD2 . 16137 1 172 . 1 1 35 35 PRO HD3 H 1 3.22 0.02 . . . . . . 35 PRO HD3 . 16137 1 173 . 1 1 35 35 PRO HG2 H 1 1.94 0.02 . . . . . . 35 PRO HG2 . 16137 1 174 . 1 1 35 35 PRO HG3 H 1 1.75 0.02 . . . . . . 35 PRO HG3 . 16137 1 175 . 1 1 35 35 PRO CA C 13 64.89 0.40 . . . . . . 35 PRO CA . 16137 1 176 . 1 1 35 35 PRO CB C 13 32.09 0.40 . . . . . . 35 PRO CB . 16137 1 177 . 1 1 35 35 PRO CG C 13 26.76 0.40 . . . . . . 35 PRO CG . 16137 1 178 . 1 1 36 36 GLN H H 1 9.75 0.02 . . . . . . 36 GLN H . 16137 1 179 . 1 1 36 36 GLN HA H 1 4.24 0.02 . . . . . . 36 GLN HA . 16137 1 180 . 1 1 36 36 GLN HB2 H 1 1.75 0.02 . . . . . . 36 GLN HB2 . 16137 1 181 . 1 1 36 36 GLN HB3 H 1 1.75 0.02 . . . . . . 36 GLN HB3 . 16137 1 182 . 1 1 36 36 GLN C C 13 177.30 0.40 . . . . . . 36 GLN C . 16137 1 183 . 1 1 36 36 GLN CB C 13 26.46 0.40 . . . . . . 36 GLN CB . 16137 1 184 . 1 1 36 36 GLN CG C 13 30.51 0.40 . . . . . . 36 GLN CG . 16137 1 185 . 1 1 36 36 GLN N N 15 120.51 0.10 . . . . . . 36 GLN N . 16137 1 186 . 1 1 37 37 TYR H H 1 6.64 0.02 . . . . . . 37 TYR H . 16137 1 187 . 1 1 37 37 TYR HA H 1 5.67 0.02 . . . . . . 37 TYR HA . 16137 1 188 . 1 1 37 37 TYR HB2 H 1 3.34 0.02 . . . . . . 37 TYR HB2 . 16137 1 189 . 1 1 37 37 TYR HB3 H 1 2.30 0.02 . . . . . . 37 TYR HB3 . 16137 1 190 . 1 1 37 37 TYR HD1 H 1 6.33 0.02 . . . . . . 37 TYR HD1 . 16137 1 191 . 1 1 37 37 TYR HE1 H 1 6.66 0.02 . . . . . . 37 TYR HE1 . 16137 1 192 . 1 1 37 37 TYR C C 13 176.18 0.40 . . . . . . 37 TYR C . 16137 1 193 . 1 1 37 37 TYR CA C 13 56.97 0.40 . . . . . . 37 TYR CA . 16137 1 194 . 1 1 37 37 TYR CB C 13 37.33 0.40 . . . . . . 37 TYR CB . 16137 1 195 . 1 1 37 37 TYR CD1 C 13 132.40 0.40 . . . . . . 37 TYR CD1 . 16137 1 196 . 1 1 37 37 TYR CE1 C 13 117.60 0.40 . . . . . . 37 TYR CE1 . 16137 1 197 . 1 1 37 37 TYR N N 15 119.65 0.10 . . . . . . 37 TYR N . 16137 1 198 . 1 1 38 38 GLU H H 1 7.37 0.02 . . . . . . 38 GLU H . 16137 1 199 . 1 1 38 38 GLU HA H 1 3.67 0.02 . . . . . . 38 GLU HA . 16137 1 200 . 1 1 38 38 GLU HB2 H 1 2.09 0.02 . . . . . . 38 GLU HB2 . 16137 1 201 . 1 1 38 38 GLU HB3 H 1 2.15 0.02 . . . . . . 38 GLU HB3 . 16137 1 202 . 1 1 38 38 GLU HG2 H 1 2.29 0.02 . . . . . . 38 GLU HG2 . 16137 1 203 . 1 1 38 38 GLU HG3 H 1 2.06 0.02 . . . . . . 38 GLU HG3 . 16137 1 204 . 1 1 38 38 GLU C C 13 174.14 0.40 . . . . . . 38 GLU C . 16137 1 205 . 1 1 38 38 GLU CA C 13 61.14 0.40 . . . . . . 38 GLU CA . 16137 1 206 . 1 1 38 38 GLU CB C 13 29.28 0.40 . . . . . . 38 GLU CB . 16137 1 207 . 1 1 38 38 GLU CG C 13 36.14 0.40 . . . . . . 38 GLU CG . 16137 1 208 . 1 1 38 38 GLU N N 15 122.25 0.10 . . . . . . 38 GLU N . 16137 1 209 . 1 1 39 39 ASN H H 1 9.10 0.02 . . . . . . 39 ASN H . 16137 1 210 . 1 1 39 39 ASN HA H 1 4.44 0.02 . . . . . . 39 ASN HA . 16137 1 211 . 1 1 39 39 ASN HB2 H 1 2.80 0.02 . . . . . . 39 ASN HB2 . 16137 1 212 . 1 1 39 39 ASN HB3 H 1 2.68 0.02 . . . . . . 39 ASN HB3 . 16137 1 213 . 1 1 39 39 ASN C C 13 176.97 0.40 . . . . . . 39 ASN C . 16137 1 214 . 1 1 39 39 ASN CA C 13 56.45 0.40 . . . . . . 39 ASN CA . 16137 1 215 . 1 1 39 39 ASN CB C 13 37.71 0.40 . . . . . . 39 ASN CB . 16137 1 216 . 1 1 39 39 ASN N N 15 116.61 0.10 . . . . . . 39 ASN N . 16137 1 217 . 1 1 40 40 HIS H H 1 8.78 0.02 . . . . . . 40 HIS H . 16137 1 218 . 1 1 40 40 HIS HA H 1 4.12 0.02 . . . . . . 40 HIS HA . 16137 1 219 . 1 1 40 40 HIS HB2 H 1 3.23 0.02 . . . . . . 40 HIS HB2 . 16137 1 220 . 1 1 40 40 HIS HB3 H 1 3.12 0.02 . . . . . . 40 HIS HB3 . 16137 1 221 . 1 1 40 40 HIS HD2 H 1 7.32 0.02 . . . . . . 40 HIS HD2 . 16137 1 222 . 1 1 40 40 HIS HE1 H 1 7.89 0.02 . . . . . . 40 HIS HE1 . 16137 1 223 . 1 1 40 40 HIS C C 13 176.40 0.40 . . . . . . 40 HIS C . 16137 1 224 . 1 1 40 40 HIS CA C 13 60.20 0.40 . . . . . . 40 HIS CA . 16137 1 225 . 1 1 40 40 HIS CB C 13 29.62 0.40 . . . . . . 40 HIS CB . 16137 1 226 . 1 1 40 40 HIS CE1 C 13 139.34 0.40 . . . . . . 40 HIS CE1 . 16137 1 227 . 1 1 40 40 HIS N N 15 119.65 0.10 . . . . . . 40 HIS N . 16137 1 228 . 1 1 41 41 LEU H H 1 7.67 0.02 . . . . . . 41 LEU H . 16137 1 229 . 1 1 41 41 LEU HA H 1 4.30 0.02 . . . . . . 41 LEU HA . 16137 1 230 . 1 1 41 41 LEU HB2 H 1 1.82 0.02 . . . . . . 41 LEU HB2 . 16137 1 231 . 1 1 41 41 LEU HB3 H 1 1.82 0.02 . . . . . . 41 LEU HB3 . 16137 1 232 . 1 1 41 41 LEU HD11 H 1 1.03 0.02 . . . . . . 41 LEU HD11 . 16137 1 233 . 1 1 41 41 LEU HD12 H 1 1.03 0.02 . . . . . . 41 LEU HD12 . 16137 1 234 . 1 1 41 41 LEU HD13 H 1 1.03 0.02 . . . . . . 41 LEU HD13 . 16137 1 235 . 1 1 41 41 LEU HD21 H 1 0.88 0.02 . . . . . . 41 LEU HD21 . 16137 1 236 . 1 1 41 41 LEU HD22 H 1 0.88 0.02 . . . . . . 41 LEU HD22 . 16137 1 237 . 1 1 41 41 LEU HD23 H 1 0.88 0.02 . . . . . . 41 LEU HD23 . 16137 1 238 . 1 1 41 41 LEU HG H 1 1.84 0.02 . . . . . . 41 LEU HG . 16137 1 239 . 1 1 41 41 LEU C C 13 177.50 0.40 . . . . . . 41 LEU C . 16137 1 240 . 1 1 41 41 LEU CA C 13 59.26 0.40 . . . . . . 41 LEU CA . 16137 1 241 . 1 1 41 41 LEU CB C 13 40.53 0.40 . . . . . . 41 LEU CB . 16137 1 242 . 1 1 41 41 LEU CD1 C 13 26.27 0.40 . . . . . . 41 LEU CD1 . 16137 1 243 . 1 1 41 41 LEU CD2 C 13 24.34 0.40 . . . . . . 41 LEU CD2 . 16137 1 244 . 1 1 41 41 LEU CG C 13 30.12 0.40 . . . . . . 41 LEU CG . 16137 1 245 . 1 1 41 41 LEU N N 15 117.72 0.10 . . . . . . 41 LEU N . 16137 1 246 . 1 1 42 42 MET H H 1 8.59 0.02 . . . . . . 42 MET H . 16137 1 247 . 1 1 42 42 MET HA H 1 4.01 0.02 . . . . . . 42 MET HA . 16137 1 248 . 1 1 42 42 MET HB2 H 1 2.26 0.02 . . . . . . 42 MET HB2 . 16137 1 249 . 1 1 42 42 MET HB3 H 1 2.15 0.02 . . . . . . 42 MET HB3 . 16137 1 250 . 1 1 42 42 MET HE1 H 1 2.24 0.02 . . . . . . 42 MET HE1 . 16137 1 251 . 1 1 42 42 MET HE2 H 1 2.24 0.02 . . . . . . 42 MET HE2 . 16137 1 252 . 1 1 42 42 MET HE3 H 1 2.24 0.02 . . . . . . 42 MET HE3 . 16137 1 253 . 1 1 42 42 MET HG2 H 1 2.95 0.02 . . . . . . 42 MET HG2 . 16137 1 254 . 1 1 42 42 MET HG3 H 1 2.72 0.02 . . . . . . 42 MET HG3 . 16137 1 255 . 1 1 42 42 MET C C 13 178.54 0.40 . . . . . . 42 MET C . 16137 1 256 . 1 1 42 42 MET CA C 13 58.33 0.40 . . . . . . 42 MET CA . 16137 1 257 . 1 1 42 42 MET CB C 13 31.15 0.40 . . . . . . 42 MET CB . 16137 1 258 . 1 1 42 42 MET CE C 13 16.41 0.40 . . . . . . 42 MET CE . 16137 1 259 . 1 1 42 42 MET CG C 13 32.39 0.40 . . . . . . 42 MET CG . 16137 1 260 . 1 1 42 42 MET N N 15 117.91 0.10 . . . . . . 42 MET N . 16137 1 261 . 1 1 43 43 ALA H H 1 8.57 0.02 . . . . . . 43 ALA H . 16137 1 262 . 1 1 43 43 ALA HA H 1 4.25 0.02 . . . . . . 43 ALA HA . 16137 1 263 . 1 1 43 43 ALA HB1 H 1 1.46 0.02 . . . . . . 43 ALA HB1 . 16137 1 264 . 1 1 43 43 ALA HB2 H 1 1.46 0.02 . . . . . . 43 ALA HB2 . 16137 1 265 . 1 1 43 43 ALA HB3 H 1 1.46 0.02 . . . . . . 43 ALA HB3 . 16137 1 266 . 1 1 43 43 ALA C C 13 179.25 0.40 . . . . . . 43 ALA C . 16137 1 267 . 1 1 43 43 ALA CA C 13 53.64 0.40 . . . . . . 43 ALA CA . 16137 1 268 . 1 1 43 43 ALA CB C 13 18.43 0.40 . . . . . . 43 ALA CB . 16137 1 269 . 1 1 43 43 ALA N N 15 119.65 0.10 . . . . . . 43 ALA N . 16137 1 270 . 1 1 44 44 ASN H H 1 7.03 0.02 . . . . . . 44 ASN H . 16137 1 271 . 1 1 44 44 ASN HA H 1 4.91 0.02 . . . . . . 44 ASN HA . 16137 1 272 . 1 1 44 44 ASN HB2 H 1 3.04 0.02 . . . . . . 44 ASN HB2 . 16137 1 273 . 1 1 44 44 ASN HB3 H 1 2.71 0.02 . . . . . . 44 ASN HB3 . 16137 1 274 . 1 1 44 44 ASN C C 13 177.64 0.40 . . . . . . 44 ASN C . 16137 1 275 . 1 1 44 44 ASN CA C 13 53.17 0.40 . . . . . . 44 ASN CA . 16137 1 276 . 1 1 44 44 ASN CB C 13 40.53 0.40 . . . . . . 44 ASN CB . 16137 1 277 . 1 1 44 44 ASN N N 15 114.00 0.10 . . . . . . 44 ASN N . 16137 1 278 . 1 1 45 45 GLY H H 1 7.54 0.02 . . . . . . 45 GLY H . 16137 1 279 . 1 1 45 45 GLY HA2 H 1 3.96 0.02 . . . . . . 45 GLY HA2 . 16137 1 280 . 1 1 45 45 GLY HA3 H 1 3.62 0.02 . . . . . . 45 GLY HA3 . 16137 1 281 . 1 1 45 45 GLY C C 13 173.04 0.40 . . . . . . 45 GLY C . 16137 1 282 . 1 1 45 45 GLY CA C 13 45.20 0.40 . . . . . . 45 GLY CA . 16137 1 283 . 1 1 45 45 GLY N N 15 104.45 0.10 . . . . . . 45 GLY N . 16137 1 284 . 1 1 46 46 PHE H H 1 7.84 0.02 . . . . . . 46 PHE H . 16137 1 285 . 1 1 46 46 PHE HA H 1 3.75 0.02 . . . . . . 46 PHE HA . 16137 1 286 . 1 1 46 46 PHE HB2 H 1 3.10 0.02 . . . . . . 46 PHE HB2 . 16137 1 287 . 1 1 46 46 PHE HB3 H 1 2.94 0.02 . . . . . . 46 PHE HB3 . 16137 1 288 . 1 1 46 46 PHE HD1 H 1 7.15 0.02 . . . . . . 46 PHE HD1 . 16137 1 289 . 1 1 46 46 PHE HE1 H 1 6.64 0.02 . . . . . . 46 PHE HE1 . 16137 1 290 . 1 1 46 46 PHE HE2 H 1 7.21 0.02 . . . . . . 46 PHE HE2 . 16137 1 291 . 1 1 46 46 PHE HZ H 1 7.24 0.02 . . . . . . 46 PHE HZ . 16137 1 292 . 1 1 46 46 PHE C C 13 173.23 0.40 . . . . . . 46 PHE C . 16137 1 293 . 1 1 46 46 PHE CA C 13 56.45 0.40 . . . . . . 46 PHE CA . 16137 1 294 . 1 1 46 46 PHE CB C 13 37.08 0.40 . . . . . . 46 PHE CB . 16137 1 295 . 1 1 46 46 PHE CD1 C 13 134.00 0.40 . . . . . . 46 PHE CD1 . 16137 1 296 . 1 1 46 46 PHE CE1 C 13 132.00 0.40 . . . . . . 46 PHE CE1 . 16137 1 297 . 1 1 46 46 PHE N N 15 122.25 0.10 . . . . . . 46 PHE N . 16137 1 298 . 1 1 47 47 ASP H H 1 7.36 0.02 . . . . . . 47 ASP H . 16137 1 299 . 1 1 47 47 ASP HA H 1 4.16 0.02 . . . . . . 47 ASP HA . 16137 1 300 . 1 1 47 47 ASP HB2 H 1 2.50 0.02 . . . . . . 47 ASP HB2 . 16137 1 301 . 1 1 47 47 ASP HB3 H 1 3.03 0.02 . . . . . . 47 ASP HB3 . 16137 1 302 . 1 1 47 47 ASP C C 13 172.90 0.40 . . . . . . 47 ASP C . 16137 1 303 . 1 1 47 47 ASP CA C 13 53.64 0.40 . . . . . . 47 ASP CA . 16137 1 304 . 1 1 47 47 ASP CB C 13 41.46 0.40 . . . . . . 47 ASP CB . 16137 1 305 . 1 1 47 47 ASP N N 15 113.51 0.10 . . . . . . 47 ASP N . 16137 1 306 . 1 1 48 48 ASN H H 1 7.67 0.02 . . . . . . 48 ASN H . 16137 1 307 . 1 1 48 48 ASN HA H 1 4.85 0.02 . . . . . . 48 ASN HA . 16137 1 308 . 1 1 48 48 ASN HB2 H 1 2.67 0.02 . . . . . . 48 ASN HB2 . 16137 1 309 . 1 1 48 48 ASN HB3 H 1 2.81 0.02 . . . . . . 48 ASN HB3 . 16137 1 310 . 1 1 48 48 ASN HD21 H 1 6.86 0.02 . . . . . . 48 ASN HD21 . 16137 1 311 . 1 1 48 48 ASN C C 13 176.27 0.40 . . . . . . 48 ASN C . 16137 1 312 . 1 1 48 48 ASN CA C 13 51.77 0.40 . . . . . . 48 ASN CA . 16137 1 313 . 1 1 48 48 ASN CB C 13 40.53 0.40 . . . . . . 48 ASN CB . 16137 1 314 . 1 1 48 48 ASN N N 15 117.72 0.10 . . . . . . 48 ASN N . 16137 1 315 . 1 1 49 49 VAL H H 1 8.91 0.02 . . . . . . 49 VAL H . 16137 1 316 . 1 1 49 49 VAL HA H 1 3.35 0.02 . . . . . . 49 VAL HA . 16137 1 317 . 1 1 49 49 VAL HB H 1 1.80 0.02 . . . . . . 49 VAL HB . 16137 1 318 . 1 1 49 49 VAL HG11 H 1 0.65 0.02 . . . . . . 49 VAL HG11 . 16137 1 319 . 1 1 49 49 VAL HG12 H 1 0.65 0.02 . . . . . . 49 VAL HG12 . 16137 1 320 . 1 1 49 49 VAL HG13 H 1 0.65 0.02 . . . . . . 49 VAL HG13 . 16137 1 321 . 1 1 49 49 VAL HG21 H 1 0.36 0.02 . . . . . . 49 VAL HG21 . 16137 1 322 . 1 1 49 49 VAL HG22 H 1 0.36 0.02 . . . . . . 49 VAL HG22 . 16137 1 323 . 1 1 49 49 VAL HG23 H 1 0.36 0.02 . . . . . . 49 VAL HG23 . 16137 1 324 . 1 1 49 49 VAL C C 13 174.90 0.40 . . . . . . 49 VAL C . 16137 1 325 . 1 1 49 49 VAL CA C 13 64.99 0.40 . . . . . . 49 VAL CA . 16137 1 326 . 1 1 49 49 VAL CB C 13 31.36 0.40 . . . . . . 49 VAL CB . 16137 1 327 . 1 1 49 49 VAL CG1 C 13 21.71 0.40 . . . . . . 49 VAL CG1 . 16137 1 328 . 1 1 49 49 VAL CG2 C 13 21.22 0.40 . . . . . . 49 VAL CG2 . 16137 1 329 . 1 1 49 49 VAL N N 15 123.99 0.10 . . . . . . 49 VAL N . 16137 1 330 . 1 1 50 50 GLN H H 1 8.10 0.02 . . . . . . 50 GLN H . 16137 1 331 . 1 1 50 50 GLN HA H 1 3.94 0.02 . . . . . . 50 GLN HA . 16137 1 332 . 1 1 50 50 GLN HB2 H 1 1.94 0.02 . . . . . . 50 GLN HB2 . 16137 1 333 . 1 1 50 50 GLN HB3 H 1 1.88 0.02 . . . . . . 50 GLN HB3 . 16137 1 334 . 1 1 50 50 GLN HE21 H 1 7.41 0.02 . . . . . . 50 GLN HE21 . 16137 1 335 . 1 1 50 50 GLN HG2 H 1 2.10 0.02 . . . . . . 50 GLN HG2 . 16137 1 336 . 1 1 50 50 GLN HG3 H 1 2.22 0.02 . . . . . . 50 GLN HG3 . 16137 1 337 . 1 1 50 50 GLN C C 13 176.13 0.40 . . . . . . 50 GLN C . 16137 1 338 . 1 1 50 50 GLN CA C 13 58.33 0.40 . . . . . . 50 GLN CA . 16137 1 339 . 1 1 50 50 GLN CB C 13 28.34 0.40 . . . . . . 50 GLN CB . 16137 1 340 . 1 1 50 50 GLN CG C 13 34.26 0.40 . . . . . . 50 GLN CG . 16137 1 341 . 1 1 50 50 GLN N N 15 118.98 0.10 . . . . . . 50 GLN N . 16137 1 342 . 1 1 51 51 PHE H H 1 7.65 0.02 . . . . . . 51 PHE H . 16137 1 343 . 1 1 51 51 PHE HA H 1 4.53 0.02 . . . . . . 51 PHE HA . 16137 1 344 . 1 1 51 51 PHE HB2 H 1 3.00 0.02 . . . . . . 51 PHE HB2 . 16137 1 345 . 1 1 51 51 PHE HB3 H 1 3.28 0.02 . . . . . . 51 PHE HB3 . 16137 1 346 . 1 1 51 51 PHE HD1 H 1 7.20 0.02 . . . . . . 51 PHE HD1 . 16137 1 347 . 1 1 51 51 PHE HD2 H 1 7.29 0.02 . . . . . . 51 PHE HD2 . 16137 1 348 . 1 1 51 51 PHE HE1 H 1 7.22 0.02 . . . . . . 51 PHE HE1 . 16137 1 349 . 1 1 51 51 PHE HE2 H 1 7.34 0.02 . . . . . . 51 PHE HE2 . 16137 1 350 . 1 1 51 51 PHE HZ H 1 7.30 0.02 . . . . . . 51 PHE HZ . 16137 1 351 . 1 1 51 51 PHE C C 13 177.15 0.40 . . . . . . 51 PHE C . 16137 1 352 . 1 1 51 51 PHE CA C 13 58.33 0.40 . . . . . . 51 PHE CA . 16137 1 353 . 1 1 51 51 PHE CB C 13 39.32 0.40 . . . . . . 51 PHE CB . 16137 1 354 . 1 1 51 51 PHE N N 15 117.29 0.10 . . . . . . 51 PHE N . 16137 1 355 . 1 1 52 52 MET H H 1 7.54 0.02 . . . . . . 52 MET H . 16137 1 356 . 1 1 52 52 MET HA H 1 4.11 0.02 . . . . . . 52 MET HA . 16137 1 357 . 1 1 52 52 MET HB2 H 1 1.79 0.02 . . . . . . 52 MET HB2 . 16137 1 358 . 1 1 52 52 MET HB3 H 1 1.90 0.02 . . . . . . 52 MET HB3 . 16137 1 359 . 1 1 52 52 MET HE1 H 1 2.06 0.02 . . . . . . 52 MET HE1 . 16137 1 360 . 1 1 52 52 MET HE2 H 1 2.06 0.02 . . . . . . 52 MET HE2 . 16137 1 361 . 1 1 52 52 MET HE3 H 1 2.06 0.02 . . . . . . 52 MET HE3 . 16137 1 362 . 1 1 52 52 MET HG2 H 1 1.79 0.02 . . . . . . 52 MET HG2 . 16137 1 363 . 1 1 52 52 MET HG3 H 1 1.90 0.02 . . . . . . 52 MET HG3 . 16137 1 364 . 1 1 52 52 MET C C 13 176.76 0.40 . . . . . . 52 MET C . 16137 1 365 . 1 1 52 52 MET CA C 13 57.39 0.40 . . . . . . 52 MET CA . 16137 1 366 . 1 1 52 52 MET CB C 13 32.09 0.40 . . . . . . 52 MET CB . 16137 1 367 . 1 1 52 52 MET CE C 13 17.23 0.40 . . . . . . 52 MET CE . 16137 1 368 . 1 1 52 52 MET CG C 13 27.70 0.40 . . . . . . 52 MET CG . 16137 1 369 . 1 1 52 52 MET N N 15 120.08 0.10 . . . . . . 52 MET N . 16137 1 370 . 1 1 53 53 GLY H H 1 8.01 0.02 . . . . . . 53 GLY H . 16137 1 371 . 1 1 53 53 GLY HA2 H 1 3.94 0.02 . . . . . . 53 GLY HA2 . 16137 1 372 . 1 1 53 53 GLY HA3 H 1 3.91 0.02 . . . . . . 53 GLY HA3 . 16137 1 373 . 1 1 53 53 GLY C C 13 176.28 0.40 . . . . . . 53 GLY C . 16137 1 374 . 1 1 53 53 GLY CA C 13 45.78 0.40 . . . . . . 53 GLY CA . 16137 1 375 . 1 1 53 53 GLY N N 15 104.01 0.10 . . . . . . 53 GLY N . 16137 1 376 . 1 1 54 54 SER H H 1 7.55 0.02 . . . . . . 54 SER H . 16137 1 377 . 1 1 54 54 SER HB2 H 1 3.88 0.02 . . . . . . 54 SER HB2 . 16137 1 378 . 1 1 54 54 SER HB3 H 1 3.88 0.02 . . . . . . 54 SER HB3 . 16137 1 379 . 1 1 54 54 SER C C 13 173.82 0.40 . . . . . . 54 SER C . 16137 1 380 . 1 1 54 54 SER CA C 13 59.26 0.40 . . . . . . 54 SER CA . 16137 1 381 . 1 1 54 54 SER CB C 13 63.96 0.40 . . . . . . 54 SER CB . 16137 1 382 . 1 1 54 54 SER N N 15 113.80 0.10 . . . . . . 54 SER N . 16137 1 383 . 1 1 55 55 ASN H H 1 7.52 0.02 . . . . . . 55 ASN H . 16137 1 384 . 1 1 55 55 ASN HA H 1 4.73 0.02 . . . . . . 55 ASN HA . 16137 1 385 . 1 1 55 55 ASN C C 13 173.17 0.40 . . . . . . 55 ASN C . 16137 1 386 . 1 1 55 55 ASN CA C 13 52.70 0.40 . . . . . . 55 ASN CA . 16137 1 387 . 1 1 55 55 ASN CB C 13 39.59 0.40 . . . . . . 55 ASN CB . 16137 1 388 . 1 1 55 55 ASN N N 15 119.65 0.10 . . . . . . 55 ASN N . 16137 1 389 . 1 1 56 56 VAL H H 1 7.98 0.02 . . . . . . 56 VAL H . 16137 1 390 . 1 1 56 56 VAL HA H 1 3.92 0.02 . . . . . . 56 VAL HA . 16137 1 391 . 1 1 56 56 VAL HB H 1 2.04 0.02 . . . . . . 56 VAL HB . 16137 1 392 . 1 1 56 56 VAL HG11 H 1 0.83 0.02 . . . . . . 56 VAL HG11 . 16137 1 393 . 1 1 56 56 VAL HG12 H 1 0.83 0.02 . . . . . . 56 VAL HG12 . 16137 1 394 . 1 1 56 56 VAL HG13 H 1 0.83 0.02 . . . . . . 56 VAL HG13 . 16137 1 395 . 1 1 56 56 VAL HG21 H 1 0.86 0.02 . . . . . . 56 VAL HG21 . 16137 1 396 . 1 1 56 56 VAL HG22 H 1 0.86 0.02 . . . . . . 56 VAL HG22 . 16137 1 397 . 1 1 56 56 VAL HG23 H 1 0.86 0.02 . . . . . . 56 VAL HG23 . 16137 1 398 . 1 1 56 56 VAL C C 13 173.38 0.40 . . . . . . 56 VAL C . 16137 1 399 . 1 1 56 56 VAL CA C 13 63.01 0.40 . . . . . . 56 VAL CA . 16137 1 400 . 1 1 56 56 VAL CB C 13 32.09 0.40 . . . . . . 56 VAL CB . 16137 1 401 . 1 1 56 56 VAL CG1 C 13 20.97 0.40 . . . . . . 56 VAL CG1 . 16137 1 402 . 1 1 56 56 VAL CG2 C 13 21.40 0.40 . . . . . . 56 VAL CG2 . 16137 1 403 . 1 1 56 56 VAL N N 15 120.44 0.10 . . . . . . 56 VAL N . 16137 1 404 . 1 1 57 57 MET H H 1 8.12 0.02 . . . . . . 57 MET H . 16137 1 405 . 1 1 57 57 MET HA H 1 4.56 0.02 . . . . . . 57 MET HA . 16137 1 406 . 1 1 57 57 MET HB2 H 1 1.95 0.02 . . . . . . 57 MET HB2 . 16137 1 407 . 1 1 57 57 MET HB3 H 1 1.95 0.02 . . . . . . 57 MET HB3 . 16137 1 408 . 1 1 57 57 MET HE1 H 1 2.10 0.02 . . . . . . 57 MET HE1 . 16137 1 409 . 1 1 57 57 MET HE2 H 1 2.10 0.02 . . . . . . 57 MET HE2 . 16137 1 410 . 1 1 57 57 MET HE3 H 1 2.10 0.02 . . . . . . 57 MET HE3 . 16137 1 411 . 1 1 57 57 MET HG2 H 1 2.28 0.02 . . . . . . 57 MET HG2 . 16137 1 412 . 1 1 57 57 MET HG3 H 1 2.28 0.02 . . . . . . 57 MET HG3 . 16137 1 413 . 1 1 57 57 MET C C 13 174.39 0.40 . . . . . . 57 MET C . 16137 1 414 . 1 1 57 57 MET CA C 13 55.51 0.40 . . . . . . 57 MET CA . 16137 1 415 . 1 1 57 57 MET CB C 13 34.90 0.40 . . . . . . 57 MET CB . 16137 1 416 . 1 1 57 57 MET CE C 13 16.95 0.40 . . . . . . 57 MET CE . 16137 1 417 . 1 1 57 57 MET CG C 13 32.39 0.40 . . . . . . 57 MET CG . 16137 1 418 . 1 1 57 57 MET N N 15 124.86 0.10 . . . . . . 57 MET N . 16137 1 419 . 1 1 58 58 GLU H H 1 8.98 0.02 . . . . . . 58 GLU H . 16137 1 420 . 1 1 58 58 GLU HA H 1 4.71 0.02 . . . . . . 58 GLU HA . 16137 1 421 . 1 1 58 58 GLU HB2 H 1 1.90 0.02 . . . . . . 58 GLU HB2 . 16137 1 422 . 1 1 58 58 GLU HB3 H 1 2.32 0.02 . . . . . . 58 GLU HB3 . 16137 1 423 . 1 1 58 58 GLU HG2 H 1 2.24 0.02 . . . . . . 58 GLU HG2 . 16137 1 424 . 1 1 58 58 GLU HG3 H 1 2.24 0.02 . . . . . . 58 GLU HG3 . 16137 1 425 . 1 1 58 58 GLU C C 13 173.80 0.40 . . . . . . 58 GLU C . 16137 1 426 . 1 1 58 58 GLU CA C 13 54.11 0.40 . . . . . . 58 GLU CA . 16137 1 427 . 1 1 58 58 GLU CB C 13 32.86 0.40 . . . . . . 58 GLU CB . 16137 1 428 . 1 1 58 58 GLU CG C 13 36.14 0.40 . . . . . . 58 GLU CG . 16137 1 429 . 1 1 58 58 GLU N N 15 120.95 0.10 . . . . . . 58 GLU N . 16137 1 430 . 1 1 59 59 ASP H H 1 8.91 0.02 . . . . . . 59 ASP H . 16137 1 431 . 1 1 59 59 ASP HA H 1 4.08 0.02 . . . . . . 59 ASP HA . 16137 1 432 . 1 1 59 59 ASP HB2 H 1 2.60 0.02 . . . . . . 59 ASP HB2 . 16137 1 433 . 1 1 59 59 ASP HB3 H 1 2.65 0.02 . . . . . . 59 ASP HB3 . 16137 1 434 . 1 1 59 59 ASP C C 13 176.40 0.40 . . . . . . 59 ASP C . 16137 1 435 . 1 1 59 59 ASP CA C 13 59.26 0.40 . . . . . . 59 ASP CA . 16137 1 436 . 1 1 59 59 ASP CB C 13 42.40 0.40 . . . . . . 59 ASP CB . 16137 1 437 . 1 1 59 59 ASP N N 15 123.12 0.10 . . . . . . 59 ASP N . 16137 1 438 . 1 1 60 60 GLN H H 1 8.79 0.02 . . . . . . 60 GLN H . 16137 1 439 . 1 1 60 60 GLN HA H 1 3.92 0.02 . . . . . . 60 GLN HA . 16137 1 440 . 1 1 60 60 GLN HB2 H 1 2.24 0.02 . . . . . . 60 GLN HB2 . 16137 1 441 . 1 1 60 60 GLN HB3 H 1 1.93 0.02 . . . . . . 60 GLN HB3 . 16137 1 442 . 1 1 60 60 GLN HG2 H 1 2.43 0.02 . . . . . . 60 GLN HG2 . 16137 1 443 . 1 1 60 60 GLN HG3 H 1 2.43 0.02 . . . . . . 60 GLN HG3 . 16137 1 444 . 1 1 60 60 GLN C C 13 177.87 0.40 . . . . . . 60 GLN C . 16137 1 445 . 1 1 60 60 GLN CA C 13 58.33 0.40 . . . . . . 60 GLN CA . 16137 1 446 . 1 1 60 60 GLN CB C 13 27.40 0.40 . . . . . . 60 GLN CB . 16137 1 447 . 1 1 60 60 GLN CG C 13 32.65 0.40 . . . . . . 60 GLN CG . 16137 1 448 . 1 1 60 60 GLN N N 15 114.87 0.10 . . . . . . 60 GLN N . 16137 1 449 . 1 1 61 61 ASP H H 1 7.22 0.02 . . . . . . 61 ASP H . 16137 1 450 . 1 1 61 61 ASP HA H 1 4.43 0.02 . . . . . . 61 ASP HA . 16137 1 451 . 1 1 61 61 ASP HB2 H 1 2.96 0.02 . . . . . . 61 ASP HB2 . 16137 1 452 . 1 1 61 61 ASP HB3 H 1 2.78 0.02 . . . . . . 61 ASP HB3 . 16137 1 453 . 1 1 61 61 ASP C C 13 176.78 0.40 . . . . . . 61 ASP C . 16137 1 454 . 1 1 61 61 ASP CA C 13 57.39 0.40 . . . . . . 61 ASP CA . 16137 1 455 . 1 1 61 61 ASP CB C 13 41.46 0.40 . . . . . . 61 ASP CB . 16137 1 456 . 1 1 61 61 ASP N N 15 117.47 0.10 . . . . . . 61 ASP N . 16137 1 457 . 1 1 62 62 LEU H H 1 7.05 0.02 . . . . . . 62 LEU H . 16137 1 458 . 1 1 62 62 LEU HA H 1 4.13 0.02 . . . . . . 62 LEU HA . 16137 1 459 . 1 1 62 62 LEU HB2 H 1 1.96 0.02 . . . . . . 62 LEU HB2 . 16137 1 460 . 1 1 62 62 LEU HB3 H 1 1.16 0.02 . . . . . . 62 LEU HB3 . 16137 1 461 . 1 1 62 62 LEU HD11 H 1 0.83 0.02 . . . . . . 62 LEU HD11 . 16137 1 462 . 1 1 62 62 LEU HD12 H 1 0.83 0.02 . . . . . . 62 LEU HD12 . 16137 1 463 . 1 1 62 62 LEU HD13 H 1 0.83 0.02 . . . . . . 62 LEU HD13 . 16137 1 464 . 1 1 62 62 LEU HD21 H 1 0.67 0.02 . . . . . . 62 LEU HD21 . 16137 1 465 . 1 1 62 62 LEU HD22 H 1 0.67 0.02 . . . . . . 62 LEU HD22 . 16137 1 466 . 1 1 62 62 LEU HD23 H 1 0.67 0.02 . . . . . . 62 LEU HD23 . 16137 1 467 . 1 1 62 62 LEU HG H 1 1.66 0.02 . . . . . . 62 LEU HG . 16137 1 468 . 1 1 62 62 LEU C C 13 177.81 0.40 . . . . . . 62 LEU C . 16137 1 469 . 1 1 62 62 LEU CA C 13 55.51 0.40 . . . . . . 62 LEU CA . 16137 1 470 . 1 1 62 62 LEU CB C 13 41.31 0.40 . . . . . . 62 LEU CB . 16137 1 471 . 1 1 62 62 LEU CD1 C 13 27.68 0.40 . . . . . . 62 LEU CD1 . 16137 1 472 . 1 1 62 62 LEU CD2 C 13 22.21 0.40 . . . . . . 62 LEU CD2 . 16137 1 473 . 1 1 62 62 LEU CG C 13 27.40 0.40 . . . . . . 62 LEU CG . 16137 1 474 . 1 1 62 62 LEU N N 15 115.74 0.10 . . . . . . 62 LEU N . 16137 1 475 . 1 1 63 63 LEU H H 1 7.75 0.02 . . . . . . 63 LEU H . 16137 1 476 . 1 1 63 63 LEU HA H 1 4.02 0.02 . . . . . . 63 LEU HA . 16137 1 477 . 1 1 63 63 LEU HB2 H 1 1.82 0.02 . . . . . . 63 LEU HB2 . 16137 1 478 . 1 1 63 63 LEU HB3 H 1 1.31 0.02 . . . . . . 63 LEU HB3 . 16137 1 479 . 1 1 63 63 LEU HG H 1 1.45 0.02 . . . . . . 63 LEU HG . 16137 1 480 . 1 1 63 63 LEU C C 13 177.37 0.40 . . . . . . 63 LEU C . 16137 1 481 . 1 1 63 63 LEU CA C 13 58.33 0.40 . . . . . . 63 LEU CA . 16137 1 482 . 1 1 63 63 LEU CB C 13 42.06 0.40 . . . . . . 63 LEU CB . 16137 1 483 . 1 1 63 63 LEU CD1 C 13 24.95 0.40 . . . . . . 63 LEU CD1 . 16137 1 484 . 1 1 63 63 LEU CD2 C 13 24.89 0.40 . . . . . . 63 LEU CD2 . 16137 1 485 . 1 1 63 63 LEU CG C 13 27.44 0.40 . . . . . . 63 LEU CG . 16137 1 486 . 1 1 63 63 LEU N N 15 122.82 0.10 . . . . . . 63 LEU N . 16137 1 487 . 1 1 64 64 GLU H H 1 8.04 0.02 . . . . . . 64 GLU H . 16137 1 488 . 1 1 64 64 GLU HA H 1 4.02 0.02 . . . . . . 64 GLU HA . 16137 1 489 . 1 1 64 64 GLU HB2 H 1 2.18 0.02 . . . . . . 64 GLU HB2 . 16137 1 490 . 1 1 64 64 GLU HB3 H 1 2.21 0.02 . . . . . . 64 GLU HB3 . 16137 1 491 . 1 1 64 64 GLU HG2 H 1 2.41 0.02 . . . . . . 64 GLU HG2 . 16137 1 492 . 1 1 64 64 GLU HG3 H 1 2.52 0.02 . . . . . . 64 GLU HG3 . 16137 1 493 . 1 1 64 64 GLU C C 13 180.44 0.40 . . . . . . 64 GLU C . 16137 1 494 . 1 1 64 64 GLU CA C 13 58.33 0.40 . . . . . . 64 GLU CA . 16137 1 495 . 1 1 64 64 GLU CB C 13 29.28 0.40 . . . . . . 64 GLU CB . 16137 1 496 . 1 1 64 64 GLU CG C 13 37.07 0.40 . . . . . . 64 GLU CG . 16137 1 497 . 1 1 64 64 GLU N N 15 119.09 0.10 . . . . . . 64 GLU N . 16137 1 498 . 1 1 65 65 ILE H H 1 6.92 0.02 . . . . . . 65 ILE H . 16137 1 499 . 1 1 65 65 ILE HA H 1 4.53 0.02 . . . . . . 65 ILE HA . 16137 1 500 . 1 1 65 65 ILE HB H 1 2.44 0.02 . . . . . . 65 ILE HB . 16137 1 501 . 1 1 65 65 ILE HD11 H 1 0.88 0.02 . . . . . . 65 ILE HD11 . 16137 1 502 . 1 1 65 65 ILE HD12 H 1 0.88 0.02 . . . . . . 65 ILE HD12 . 16137 1 503 . 1 1 65 65 ILE HD13 H 1 0.88 0.02 . . . . . . 65 ILE HD13 . 16137 1 504 . 1 1 65 65 ILE HG12 H 1 1.68 0.02 . . . . . . 65 ILE HG12 . 16137 1 505 . 1 1 65 65 ILE HG13 H 1 1.47 0.02 . . . . . . 65 ILE HG13 . 16137 1 506 . 1 1 65 65 ILE HG21 H 1 1.05 0.02 . . . . . . 65 ILE HG21 . 16137 1 507 . 1 1 65 65 ILE HG22 H 1 1.05 0.02 . . . . . . 65 ILE HG22 . 16137 1 508 . 1 1 65 65 ILE HG23 H 1 1.05 0.02 . . . . . . 65 ILE HG23 . 16137 1 509 . 1 1 65 65 ILE C C 13 177.67 0.40 . . . . . . 65 ILE C . 16137 1 510 . 1 1 65 65 ILE CA C 13 61.14 0.40 . . . . . . 65 ILE CA . 16137 1 511 . 1 1 65 65 ILE CB C 13 37.08 0.40 . . . . . . 65 ILE CB . 16137 1 512 . 1 1 65 65 ILE CD1 C 13 14.48 0.40 . . . . . . 65 ILE CD1 . 16137 1 513 . 1 1 65 65 ILE CG1 C 13 26.76 0.40 . . . . . . 65 ILE CG1 . 16137 1 514 . 1 1 65 65 ILE CG2 C 13 17.98 0.40 . . . . . . 65 ILE CG2 . 16137 1 515 . 1 1 65 65 ILE N N 15 109.66 0.10 . . . . . . 65 ILE N . 16137 1 516 . 1 1 66 66 GLY H H 1 7.65 0.02 . . . . . . 66 GLY H . 16137 1 517 . 1 1 66 66 GLY HA2 H 1 4.06 0.02 . . . . . . 66 GLY HA2 . 16137 1 518 . 1 1 66 66 GLY HA3 H 1 3.64 0.02 . . . . . . 66 GLY HA3 . 16137 1 519 . 1 1 66 66 GLY C C 13 175.09 0.40 . . . . . . 66 GLY C . 16137 1 520 . 1 1 66 66 GLY CA C 13 45.20 0.40 . . . . . . 66 GLY CA . 16137 1 521 . 1 1 66 66 GLY N N 15 106.18 0.10 . . . . . . 66 GLY N . 16137 1 522 . 1 1 67 67 ILE H H 1 7.71 0.02 . . . . . . 67 ILE H . 16137 1 523 . 1 1 67 67 ILE HA H 1 3.87 0.02 . . . . . . 67 ILE HA . 16137 1 524 . 1 1 67 67 ILE HB H 1 1.46 0.02 . . . . . . 67 ILE HB . 16137 1 525 . 1 1 67 67 ILE HD11 H 1 0.29 0.02 . . . . . . 67 ILE HD11 . 16137 1 526 . 1 1 67 67 ILE HD12 H 1 0.29 0.02 . . . . . . 67 ILE HD12 . 16137 1 527 . 1 1 67 67 ILE HD13 H 1 0.29 0.02 . . . . . . 67 ILE HD13 . 16137 1 528 . 1 1 67 67 ILE HG12 H 1 1.20 0.02 . . . . . . 67 ILE HG12 . 16137 1 529 . 1 1 67 67 ILE HG13 H 1 0.24 0.02 . . . . . . 67 ILE HG13 . 16137 1 530 . 1 1 67 67 ILE HG21 H 1 0.17 0.02 . . . . . . 67 ILE HG21 . 16137 1 531 . 1 1 67 67 ILE HG22 H 1 0.17 0.02 . . . . . . 67 ILE HG22 . 16137 1 532 . 1 1 67 67 ILE HG23 H 1 0.17 0.02 . . . . . . 67 ILE HG23 . 16137 1 533 . 1 1 67 67 ILE C C 13 173.76 0.40 . . . . . . 67 ILE C . 16137 1 534 . 1 1 67 67 ILE CB C 13 33.96 0.40 . . . . . . 67 ILE CB . 16137 1 535 . 1 1 67 67 ILE CD1 C 13 13.51 0.40 . . . . . . 67 ILE CD1 . 16137 1 536 . 1 1 67 67 ILE CG1 C 13 26.19 0.40 . . . . . . 67 ILE CG1 . 16137 1 537 . 1 1 67 67 ILE CG2 C 13 16.45 0.40 . . . . . . 67 ILE CG2 . 16137 1 538 . 1 1 67 67 ILE N N 15 121.38 0.10 . . . . . . 67 ILE N . 16137 1 539 . 1 1 68 68 LEU H H 1 7.40 0.02 . . . . . . 68 LEU H . 16137 1 540 . 1 1 68 68 LEU HA H 1 3.86 0.02 . . . . . . 68 LEU HA . 16137 1 541 . 1 1 68 68 LEU HB2 H 1 1.59 0.02 . . . . . . 68 LEU HB2 . 16137 1 542 . 1 1 68 68 LEU HB3 H 1 1.66 0.02 . . . . . . 68 LEU HB3 . 16137 1 543 . 1 1 68 68 LEU HD11 H 1 0.95 0.02 . . . . . . 68 LEU HD11 . 16137 1 544 . 1 1 68 68 LEU HD12 H 1 0.95 0.02 . . . . . . 68 LEU HD12 . 16137 1 545 . 1 1 68 68 LEU HD13 H 1 0.95 0.02 . . . . . . 68 LEU HD13 . 16137 1 546 . 1 1 68 68 LEU HD21 H 1 0.79 0.02 . . . . . . 68 LEU HD21 . 16137 1 547 . 1 1 68 68 LEU HD22 H 1 0.79 0.02 . . . . . . 68 LEU HD22 . 16137 1 548 . 1 1 68 68 LEU HD23 H 1 0.79 0.02 . . . . . . 68 LEU HD23 . 16137 1 549 . 1 1 68 68 LEU HG H 1 0.82 0.02 . . . . . . 68 LEU HG . 16137 1 550 . 1 1 68 68 LEU C C 13 173.88 0.40 . . . . . . 68 LEU C . 16137 1 551 . 1 1 68 68 LEU CA C 13 56.45 0.40 . . . . . . 68 LEU CA . 16137 1 552 . 1 1 68 68 LEU CB C 13 41.46 0.40 . . . . . . 68 LEU CB . 16137 1 553 . 1 1 68 68 LEU CD1 C 13 25.16 0.40 . . . . . . 68 LEU CD1 . 16137 1 554 . 1 1 68 68 LEU CD2 C 13 22.23 0.40 . . . . . . 68 LEU CD2 . 16137 1 555 . 1 1 68 68 LEU CG C 13 27.44 0.40 . . . . . . 68 LEU CG . 16137 1 556 . 1 1 68 68 LEU N N 15 126.59 0.10 . . . . . . 68 LEU N . 16137 1 557 . 1 1 70 70 SER HA H 1 4.16 0.02 . . . . . . 70 SER HA . 16137 1 558 . 1 1 70 70 SER HB2 H 1 3.97 0.02 . . . . . . 70 SER HB2 . 16137 1 559 . 1 1 70 70 SER HB3 H 1 3.79 0.02 . . . . . . 70 SER HB3 . 16137 1 560 . 1 1 70 70 SER CA C 13 61.14 0.40 . . . . . . 70 SER CA . 16137 1 561 . 1 1 70 70 SER CB C 13 62.09 0.40 . . . . . . 70 SER CB . 16137 1 562 . 1 1 71 71 GLY H H 1 8.07 0.02 . . . . . . 71 GLY H . 16137 1 563 . 1 1 71 71 GLY HA2 H 1 3.94 0.02 . . . . . . 71 GLY HA2 . 16137 1 564 . 1 1 71 71 GLY HA3 H 1 3.62 0.02 . . . . . . 71 GLY HA3 . 16137 1 565 . 1 1 71 71 GLY C C 13 176.06 0.40 . . . . . . 71 GLY C . 16137 1 566 . 1 1 71 71 GLY CA C 13 47.27 0.40 . . . . . . 71 GLY CA . 16137 1 567 . 1 1 71 71 GLY N N 15 111.97 0.10 . . . . . . 71 GLY N . 16137 1 568 . 1 1 72 72 HIS H H 1 7.81 0.02 . . . . . . 72 HIS H . 16137 1 569 . 1 1 72 72 HIS HB2 H 1 3.21 0.02 . . . . . . 72 HIS HB2 . 16137 1 570 . 1 1 72 72 HIS HB3 H 1 2.87 0.02 . . . . . . 72 HIS HB3 . 16137 1 571 . 1 1 72 72 HIS HD2 H 1 7.12 0.02 . . . . . . 72 HIS HD2 . 16137 1 572 . 1 1 72 72 HIS HE1 H 1 7.82 0.02 . . . . . . 72 HIS HE1 . 16137 1 573 . 1 1 72 72 HIS C C 13 176.45 0.40 . . . . . . 72 HIS C . 16137 1 574 . 1 1 72 72 HIS CA C 13 57.39 0.40 . . . . . . 72 HIS CA . 16137 1 575 . 1 1 72 72 HIS CB C 13 30.21 0.40 . . . . . . 72 HIS CB . 16137 1 576 . 1 1 72 72 HIS CD2 C 13 118.80 0.40 . . . . . . 72 HIS CD2 . 16137 1 577 . 1 1 72 72 HIS CE1 C 13 138.67 0.40 . . . . . . 72 HIS CE1 . 16137 1 578 . 1 1 72 72 HIS N N 15 122.25 0.10 . . . . . . 72 HIS N . 16137 1 579 . 1 1 73 73 ARG H H 1 7.91 0.02 . . . . . . 73 ARG H . 16137 1 580 . 1 1 73 73 ARG HA H 1 3.67 0.02 . . . . . . 73 ARG HA . 16137 1 581 . 1 1 73 73 ARG HB2 H 1 2.15 0.02 . . . . . . 73 ARG HB2 . 16137 1 582 . 1 1 73 73 ARG HB3 H 1 2.15 0.02 . . . . . . 73 ARG HB3 . 16137 1 583 . 1 1 73 73 ARG HD2 H 1 3.45 0.02 . . . . . . 73 ARG HD2 . 16137 1 584 . 1 1 73 73 ARG HD3 H 1 3.26 0.02 . . . . . . 73 ARG HD3 . 16137 1 585 . 1 1 73 73 ARG HG2 H 1 1.67 0.02 . . . . . . 73 ARG HG2 . 16137 1 586 . 1 1 73 73 ARG HG3 H 1 0.90 0.02 . . . . . . 73 ARG HG3 . 16137 1 587 . 1 1 73 73 ARG C C 13 176.97 0.40 . . . . . . 73 ARG C . 16137 1 588 . 1 1 73 73 ARG CA C 13 61.14 0.40 . . . . . . 73 ARG CA . 16137 1 589 . 1 1 73 73 ARG CB C 13 30.21 0.40 . . . . . . 73 ARG CB . 16137 1 590 . 1 1 73 73 ARG CD C 13 45.51 0.40 . . . . . . 73 ARG CD . 16137 1 591 . 1 1 73 73 ARG CG C 13 26.76 0.40 . . . . . . 73 ARG CG . 16137 1 592 . 1 1 73 73 ARG N N 15 117.47 0.10 . . . . . . 73 ARG N . 16137 1 593 . 1 1 74 74 GLN H H 1 7.84 0.02 . . . . . . 74 GLN H . 16137 1 594 . 1 1 74 74 GLN HA H 1 3.95 0.02 . . . . . . 74 GLN HA . 16137 1 595 . 1 1 74 74 GLN HB2 H 1 1.94 0.02 . . . . . . 74 GLN HB2 . 16137 1 596 . 1 1 74 74 GLN HB3 H 1 2.22 0.02 . . . . . . 74 GLN HB3 . 16137 1 597 . 1 1 74 74 GLN HG2 H 1 2.52 0.02 . . . . . . 74 GLN HG2 . 16137 1 598 . 1 1 74 74 GLN HG3 H 1 2.42 0.02 . . . . . . 74 GLN HG3 . 16137 1 599 . 1 1 74 74 GLN C C 13 177.20 0.40 . . . . . . 74 GLN C . 16137 1 600 . 1 1 74 74 GLN CA C 13 59.26 0.40 . . . . . . 74 GLN CA . 16137 1 601 . 1 1 74 74 GLN CB C 13 28.34 0.40 . . . . . . 74 GLN CB . 16137 1 602 . 1 1 74 74 GLN CG C 13 34.26 0.40 . . . . . . 74 GLN CG . 16137 1 603 . 1 1 74 74 GLN N N 15 116.61 0.10 . . . . . . 74 GLN N . 16137 1 604 . 1 1 75 75 ARG H H 1 7.75 0.02 . . . . . . 75 ARG H . 16137 1 605 . 1 1 75 75 ARG HA H 1 3.99 0.02 . . . . . . 75 ARG HA . 16137 1 606 . 1 1 75 75 ARG HB2 H 1 1.95 0.02 . . . . . . 75 ARG HB2 . 16137 1 607 . 1 1 75 75 ARG HD2 H 1 3.32 0.02 . . . . . . 75 ARG HD2 . 16137 1 608 . 1 1 75 75 ARG HD3 H 1 3.11 0.02 . . . . . . 75 ARG HD3 . 16137 1 609 . 1 1 75 75 ARG HG2 H 1 1.78 0.02 . . . . . . 75 ARG HG2 . 16137 1 610 . 1 1 75 75 ARG C C 13 177.84 0.40 . . . . . . 75 ARG C . 16137 1 611 . 1 1 75 75 ARG CA C 13 59.26 0.40 . . . . . . 75 ARG CA . 16137 1 612 . 1 1 75 75 ARG CB C 13 31.15 0.40 . . . . . . 75 ARG CB . 16137 1 613 . 1 1 75 75 ARG CG C 13 26.76 0.40 . . . . . . 75 ARG CG . 16137 1 614 . 1 1 75 75 ARG N N 15 119.21 0.10 . . . . . . 75 ARG N . 16137 1 615 . 1 1 76 76 ILE H H 1 7.89 0.02 . . . . . . 76 ILE H . 16137 1 616 . 1 1 76 76 ILE HA H 1 4.46 0.02 . . . . . . 76 ILE HA . 16137 1 617 . 1 1 76 76 ILE HB H 1 1.75 0.02 . . . . . . 76 ILE HB . 16137 1 618 . 1 1 76 76 ILE HD11 H 1 0.56 0.02 . . . . . . 76 ILE HD11 . 16137 1 619 . 1 1 76 76 ILE HD12 H 1 0.56 0.02 . . . . . . 76 ILE HD12 . 16137 1 620 . 1 1 76 76 ILE HD13 H 1 0.56 0.02 . . . . . . 76 ILE HD13 . 16137 1 621 . 1 1 76 76 ILE HG12 H 1 1.76 0.02 . . . . . . 76 ILE HG12 . 16137 1 622 . 1 1 76 76 ILE HG13 H 1 1.76 0.02 . . . . . . 76 ILE HG13 . 16137 1 623 . 1 1 76 76 ILE HG21 H 1 0.91 0.02 . . . . . . 76 ILE HG21 . 16137 1 624 . 1 1 76 76 ILE HG22 H 1 0.91 0.02 . . . . . . 76 ILE HG22 . 16137 1 625 . 1 1 76 76 ILE HG23 H 1 0.91 0.02 . . . . . . 76 ILE HG23 . 16137 1 626 . 1 1 76 76 ILE C C 13 179.05 0.40 . . . . . . 76 ILE C . 16137 1 627 . 1 1 76 76 ILE CA C 13 65.83 0.40 . . . . . . 76 ILE CA . 16137 1 628 . 1 1 76 76 ILE CB C 13 37.58 0.40 . . . . . . 76 ILE CB . 16137 1 629 . 1 1 76 76 ILE CD1 C 13 13.84 0.40 . . . . . . 76 ILE CD1 . 16137 1 630 . 1 1 76 76 ILE CG1 C 13 30.43 0.40 . . . . . . 76 ILE CG1 . 16137 1 631 . 1 1 76 76 ILE CG2 C 13 17.46 0.40 . . . . . . 76 ILE CG2 . 16137 1 632 . 1 1 76 76 ILE N N 15 120.95 0.10 . . . . . . 76 ILE N . 16137 1 633 . 1 1 77 77 LEU H H 1 8.29 0.02 . . . . . . 77 LEU H . 16137 1 634 . 1 1 77 77 LEU HA H 1 3.97 0.02 . . . . . . 77 LEU HA . 16137 1 635 . 1 1 77 77 LEU HB2 H 1 1.83 0.02 . . . . . . 77 LEU HB2 . 16137 1 636 . 1 1 77 77 LEU HB3 H 1 1.54 0.02 . . . . . . 77 LEU HB3 . 16137 1 637 . 1 1 77 77 LEU HD11 H 1 0.87 0.02 . . . . . . 77 LEU HD11 . 16137 1 638 . 1 1 77 77 LEU HD12 H 1 0.87 0.02 . . . . . . 77 LEU HD12 . 16137 1 639 . 1 1 77 77 LEU HD13 H 1 0.87 0.02 . . . . . . 77 LEU HD13 . 16137 1 640 . 1 1 77 77 LEU HD21 H 1 0.69 0.02 . . . . . . 77 LEU HD21 . 16137 1 641 . 1 1 77 77 LEU HD22 H 1 0.69 0.02 . . . . . . 77 LEU HD22 . 16137 1 642 . 1 1 77 77 LEU HD23 H 1 0.69 0.02 . . . . . . 77 LEU HD23 . 16137 1 643 . 1 1 77 77 LEU HG H 1 1.75 0.02 . . . . . . 77 LEU HG . 16137 1 644 . 1 1 77 77 LEU C C 13 176.48 0.40 . . . . . . 77 LEU C . 16137 1 645 . 1 1 77 77 LEU CA C 13 58.32 0.40 . . . . . . 77 LEU CA . 16137 1 646 . 1 1 77 77 LEU CB C 13 40.81 0.40 . . . . . . 77 LEU CB . 16137 1 647 . 1 1 77 77 LEU CD1 C 13 24.89 0.40 . . . . . . 77 LEU CD1 . 16137 1 648 . 1 1 77 77 LEU CD2 C 13 23.20 0.40 . . . . . . 77 LEU CD2 . 16137 1 649 . 1 1 77 77 LEU CG C 13 26.62 0.40 . . . . . . 77 LEU CG . 16137 1 650 . 1 1 77 77 LEU N N 15 119.48 0.10 . . . . . . 77 LEU N . 16137 1 651 . 1 1 78 78 GLN H H 1 8.30 0.02 . . . . . . 78 GLN H . 16137 1 652 . 1 1 78 78 GLN HA H 1 4.51 0.02 . . . . . . 78 GLN HA . 16137 1 653 . 1 1 78 78 GLN HB2 H 1 2.09 0.02 . . . . . . 78 GLN HB2 . 16137 1 654 . 1 1 78 78 GLN HB3 H 1 2.40 0.02 . . . . . . 78 GLN HB3 . 16137 1 655 . 1 1 78 78 GLN HG2 H 1 2.56 0.02 . . . . . . 78 GLN HG2 . 16137 1 656 . 1 1 78 78 GLN HG3 H 1 2.41 0.02 . . . . . . 78 GLN HG3 . 16137 1 657 . 1 1 78 78 GLN C C 13 179.61 0.40 . . . . . . 78 GLN C . 16137 1 658 . 1 1 78 78 GLN CA C 13 58.33 0.40 . . . . . . 78 GLN CA . 16137 1 659 . 1 1 78 78 GLN CB C 13 28.34 0.40 . . . . . . 78 GLN CB . 16137 1 660 . 1 1 78 78 GLN CG C 13 34.26 0.40 . . . . . . 78 GLN CG . 16137 1 661 . 1 1 78 78 GLN N N 15 118.12 0.10 . . . . . . 78 GLN N . 16137 1 662 . 1 1 79 79 ALA H H 1 7.70 0.02 . . . . . . 79 ALA H . 16137 1 663 . 1 1 79 79 ALA HA H 1 4.27 0.02 . . . . . . 79 ALA HA . 16137 1 664 . 1 1 79 79 ALA HB1 H 1 1.69 0.02 . . . . . . 79 ALA HB1 . 16137 1 665 . 1 1 79 79 ALA HB2 H 1 1.69 0.02 . . . . . . 79 ALA HB2 . 16137 1 666 . 1 1 79 79 ALA HB3 H 1 1.69 0.02 . . . . . . 79 ALA HB3 . 16137 1 667 . 1 1 79 79 ALA C C 13 177.84 0.40 . . . . . . 79 ALA C . 16137 1 668 . 1 1 79 79 ALA CA C 13 54.73 0.40 . . . . . . 79 ALA CA . 16137 1 669 . 1 1 79 79 ALA CB C 13 18.96 0.40 . . . . . . 79 ALA CB . 16137 1 670 . 1 1 79 79 ALA N N 15 121.82 0.10 . . . . . . 79 ALA N . 16137 1 671 . 1 1 80 80 ILE H H 1 8.66 0.02 . . . . . . 80 ILE H . 16137 1 672 . 1 1 80 80 ILE HA H 1 3.78 0.02 . . . . . . 80 ILE HA . 16137 1 673 . 1 1 80 80 ILE HB H 1 2.10 0.02 . . . . . . 80 ILE HB . 16137 1 674 . 1 1 80 80 ILE HD11 H 1 0.85 0.02 . . . . . . 80 ILE HD11 . 16137 1 675 . 1 1 80 80 ILE HD12 H 1 0.85 0.02 . . . . . . 80 ILE HD12 . 16137 1 676 . 1 1 80 80 ILE HD13 H 1 0.85 0.02 . . . . . . 80 ILE HD13 . 16137 1 677 . 1 1 80 80 ILE HG12 H 1 2.23 0.02 . . . . . . 80 ILE HG12 . 16137 1 678 . 1 1 80 80 ILE HG13 H 1 1.01 0.02 . . . . . . 80 ILE HG13 . 16137 1 679 . 1 1 80 80 ILE HG21 H 1 0.94 0.02 . . . . . . 80 ILE HG21 . 16137 1 680 . 1 1 80 80 ILE HG22 H 1 0.94 0.02 . . . . . . 80 ILE HG22 . 16137 1 681 . 1 1 80 80 ILE HG23 H 1 0.94 0.02 . . . . . . 80 ILE HG23 . 16137 1 682 . 1 1 80 80 ILE C C 13 181.27 0.40 . . . . . . 80 ILE C . 16137 1 683 . 1 1 80 80 ILE CA C 13 64.89 0.40 . . . . . . 80 ILE CA . 16137 1 684 . 1 1 80 80 ILE CB C 13 37.71 0.40 . . . . . . 80 ILE CB . 16137 1 685 . 1 1 80 80 ILE CD1 C 13 14.48 0.40 . . . . . . 80 ILE CD1 . 16137 1 686 . 1 1 80 80 ILE CG1 C 13 30.51 0.40 . . . . . . 80 ILE CG1 . 16137 1 687 . 1 1 80 80 ILE CG2 C 13 17.75 0.40 . . . . . . 80 ILE CG2 . 16137 1 688 . 1 1 80 80 ILE N N 15 121.82 0.10 . . . . . . 80 ILE N . 16137 1 689 . 1 1 81 81 GLN H H 1 7.50 0.02 . . . . . . 81 GLN H . 16137 1 690 . 1 1 81 81 GLN HA H 1 4.11 0.02 . . . . . . 81 GLN HA . 16137 1 691 . 1 1 81 81 GLN HB2 H 1 2.25 0.02 . . . . . . 81 GLN HB2 . 16137 1 692 . 1 1 81 81 GLN HB3 H 1 2.28 0.02 . . . . . . 81 GLN HB3 . 16137 1 693 . 1 1 81 81 GLN HG2 H 1 2.58 0.02 . . . . . . 81 GLN HG2 . 16137 1 694 . 1 1 81 81 GLN HG3 H 1 2.62 0.02 . . . . . . 81 GLN HG3 . 16137 1 695 . 1 1 81 81 GLN C C 13 177.90 0.40 . . . . . . 81 GLN C . 16137 1 696 . 1 1 81 81 GLN CA C 13 57.39 0.40 . . . . . . 81 GLN CA . 16137 1 697 . 1 1 81 81 GLN CB C 13 28.34 0.40 . . . . . . 81 GLN CB . 16137 1 698 . 1 1 81 81 GLN CG C 13 33.32 0.40 . . . . . . 81 GLN CG . 16137 1 699 . 1 1 81 81 GLN N N 15 117.71 0.10 . . . . . . 81 GLN N . 16137 1 700 . 1 1 82 82 LEU H H 1 7.21 0.02 . . . . . . 82 LEU H . 16137 1 701 . 1 1 82 82 LEU HA H 1 4.38 0.02 . . . . . . 82 LEU HA . 16137 1 702 . 1 1 82 82 LEU HB2 H 1 1.82 0.02 . . . . . . 82 LEU HB2 . 16137 1 703 . 1 1 82 82 LEU HB3 H 1 1.81 0.02 . . . . . . 82 LEU HB3 . 16137 1 704 . 1 1 82 82 LEU HD21 H 1 0.89 0.02 . . . . . . 82 LEU HD21 . 16137 1 705 . 1 1 82 82 LEU HD22 H 1 0.89 0.02 . . . . . . 82 LEU HD22 . 16137 1 706 . 1 1 82 82 LEU HD23 H 1 0.89 0.02 . . . . . . 82 LEU HD23 . 16137 1 707 . 1 1 82 82 LEU C C 13 176.05 0.40 . . . . . . 82 LEU C . 16137 1 708 . 1 1 82 82 LEU CA C 13 54.58 0.40 . . . . . . 82 LEU CA . 16137 1 709 . 1 1 82 82 LEU CB C 13 42.40 0.40 . . . . . . 82 LEU CB . 16137 1 710 . 1 1 82 82 LEU CD1 C 13 25.73 0.40 . . . . . . 82 LEU CD1 . 16137 1 711 . 1 1 82 82 LEU CD2 C 13 22.51 0.40 . . . . . . 82 LEU CD2 . 16137 1 712 . 1 1 82 82 LEU CG C 13 26.30 0.40 . . . . . . 82 LEU CG . 16137 1 713 . 1 1 82 82 LEU N N 15 116.61 0.10 . . . . . . 82 LEU N . 16137 1 714 . 1 1 83 83 LEU H H 1 7.31 0.02 . . . . . . 83 LEU H . 16137 1 715 . 1 1 83 83 LEU HA H 1 4.39 0.02 . . . . . . 83 LEU HA . 16137 1 716 . 1 1 83 83 LEU HB2 H 1 1.84 0.02 . . . . . . 83 LEU HB2 . 16137 1 717 . 1 1 83 83 LEU HB3 H 1 1.39 0.02 . . . . . . 83 LEU HB3 . 16137 1 718 . 1 1 83 83 LEU HD11 H 1 0.52 0.02 . . . . . . 83 LEU HD11 . 16137 1 719 . 1 1 83 83 LEU HD12 H 1 0.52 0.02 . . . . . . 83 LEU HD12 . 16137 1 720 . 1 1 83 83 LEU HD13 H 1 0.52 0.02 . . . . . . 83 LEU HD13 . 16137 1 721 . 1 1 83 83 LEU HD21 H 1 0.59 0.02 . . . . . . 83 LEU HD21 . 16137 1 722 . 1 1 83 83 LEU HD22 H 1 0.59 0.02 . . . . . . 83 LEU HD22 . 16137 1 723 . 1 1 83 83 LEU HD23 H 1 0.59 0.02 . . . . . . 83 LEU HD23 . 16137 1 724 . 1 1 83 83 LEU C C 13 177.23 0.40 . . . . . . 83 LEU C . 16137 1 725 . 1 1 83 83 LEU CA C 13 53.64 0.40 . . . . . . 83 LEU CA . 16137 1 726 . 1 1 83 83 LEU CB C 13 40.53 0.40 . . . . . . 83 LEU CB . 16137 1 727 . 1 1 83 83 LEU CD1 C 13 26.30 0.40 . . . . . . 83 LEU CD1 . 16137 1 728 . 1 1 83 83 LEU CD2 C 13 22.46 0.40 . . . . . . 83 LEU CD2 . 16137 1 729 . 1 1 83 83 LEU N N 15 122.25 0.10 . . . . . . 83 LEU N . 16137 1 stop_ save_