data_34057 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34057 _Entry.Title ; Solution structure of CUG-BP2 RRM3 in complex with 5'-UUUAA-3' RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-28 _Entry.Accession_date 2016-10-28 _Entry.Last_release_date 2016-11-22 _Entry.Original_release_date 2016-11-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 N. 'Diarra dit Konte' N. . . . 34057 2 F. Damberger F. F. . . 34057 3 F. Allain F. H.T. . . 34057 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 34057 'RNA binding protein' . 34057 'RNA recognition motif' . 34057 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 34057 coupling_constants 2 34057 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 335 34057 '15N chemical shifts' 114 34057 '1H chemical shifts' 773 34057 'coupling constants' 105 34057 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 . . 2022-06-23 2016-10-28 update BMRB 'update entry citation' 34057 1 . . 2017-10-05 2016-10-28 original author 'original release' 34057 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5M8I 'BMRB Entry Tracking System' 34057 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34057 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 28935965 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Aromatic side-chain conformational switch on the surface of the RNA Recognition Motif enables RNA discrimination ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _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 654 _Citation.Page_last 654 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. 'Diarra dit Konte' N. . . . 34057 1 2 M. Krepl M. . . . 34057 1 3 F. Damberger F. F. . . 34057 1 4 N. Ripin J. . . . 34057 1 5 O. Duss F. F. . . 34057 1 6 J. Sponer . . . . 34057 1 7 F. Allain . H. . . 34057 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34057 _Assembly.ID 1 _Assembly.Name 'CUGBP Elav-like family member 2/RNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 entity_1 1 $entity_1 A A yes . . . . . . 34057 1 2 entity_2 2 $entity_2 B B yes . . . . . . 34057 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34057 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CUGBP Elav-like family member 2' _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 ; MGSSHHHHHHSSGLVPRGSH MQKEGPEGANLFIYHLPQEF GDQDILQMFMPFGNVISAKV FIDKQTNLSKCFGFVSYDNP VSAQAAIQAMNGFQIGMKRL KVQLKRSKNDSKPW ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation Y114W _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12842.679 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Bruno-like protein 3' common 34057 1 CELF-2 common 34057 1 'CUG triplet repeat RNA-binding protein 2' common 34057 1 'CUG-BP- and ETR-3-like factor 2' common 34057 1 CUG-BP2 common 34057 1 'ELAV-type RNA-binding protein 3' common 34057 1 ETR-3 common 34057 1 'Neuroblastoma apoptosis-related RNA-binding protein' common 34057 1 'RNA-binding protein BRUNOL-3' common 34057 1 hNAPOR common 34057 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 34057 1 2 2 GLY . 34057 1 3 3 SER . 34057 1 4 4 SER . 34057 1 5 5 HIS . 34057 1 6 6 HIS . 34057 1 7 7 HIS . 34057 1 8 8 HIS . 34057 1 9 9 HIS . 34057 1 10 10 HIS . 34057 1 11 11 SER . 34057 1 12 12 SER . 34057 1 13 13 GLY . 34057 1 14 14 LEU . 34057 1 15 15 VAL . 34057 1 16 16 PRO . 34057 1 17 17 ARG . 34057 1 18 18 GLY . 34057 1 19 19 SER . 34057 1 20 20 HIS . 34057 1 21 21 MET . 34057 1 22 22 GLN . 34057 1 23 23 LYS . 34057 1 24 24 GLU . 34057 1 25 25 GLY . 34057 1 26 26 PRO . 34057 1 27 27 GLU . 34057 1 28 28 GLY . 34057 1 29 29 ALA . 34057 1 30 30 ASN . 34057 1 31 31 LEU . 34057 1 32 32 PHE . 34057 1 33 33 ILE . 34057 1 34 34 TYR . 34057 1 35 35 HIS . 34057 1 36 36 LEU . 34057 1 37 37 PRO . 34057 1 38 38 GLN . 34057 1 39 39 GLU . 34057 1 40 40 PHE . 34057 1 41 41 GLY . 34057 1 42 42 ASP . 34057 1 43 43 GLN . 34057 1 44 44 ASP . 34057 1 45 45 ILE . 34057 1 46 46 LEU . 34057 1 47 47 GLN . 34057 1 48 48 MET . 34057 1 49 49 PHE . 34057 1 50 50 MET . 34057 1 51 51 PRO . 34057 1 52 52 PHE . 34057 1 53 53 GLY . 34057 1 54 54 ASN . 34057 1 55 55 VAL . 34057 1 56 56 ILE . 34057 1 57 57 SER . 34057 1 58 58 ALA . 34057 1 59 59 LYS . 34057 1 60 60 VAL . 34057 1 61 61 PHE . 34057 1 62 62 ILE . 34057 1 63 63 ASP . 34057 1 64 64 LYS . 34057 1 65 65 GLN . 34057 1 66 66 THR . 34057 1 67 67 ASN . 34057 1 68 68 LEU . 34057 1 69 69 SER . 34057 1 70 70 LYS . 34057 1 71 71 CYS . 34057 1 72 72 PHE . 34057 1 73 73 GLY . 34057 1 74 74 PHE . 34057 1 75 75 VAL . 34057 1 76 76 SER . 34057 1 77 77 TYR . 34057 1 78 78 ASP . 34057 1 79 79 ASN . 34057 1 80 80 PRO . 34057 1 81 81 VAL . 34057 1 82 82 SER . 34057 1 83 83 ALA . 34057 1 84 84 GLN . 34057 1 85 85 ALA . 34057 1 86 86 ALA . 34057 1 87 87 ILE . 34057 1 88 88 GLN . 34057 1 89 89 ALA . 34057 1 90 90 MET . 34057 1 91 91 ASN . 34057 1 92 92 GLY . 34057 1 93 93 PHE . 34057 1 94 94 GLN . 34057 1 95 95 ILE . 34057 1 96 96 GLY . 34057 1 97 97 MET . 34057 1 98 98 LYS . 34057 1 99 99 ARG . 34057 1 100 100 LEU . 34057 1 101 101 LYS . 34057 1 102 102 VAL . 34057 1 103 103 GLN . 34057 1 104 104 LEU . 34057 1 105 105 LYS . 34057 1 106 106 ARG . 34057 1 107 107 SER . 34057 1 108 108 LYS . 34057 1 109 109 ASN . 34057 1 110 110 ASP . 34057 1 111 111 SER . 34057 1 112 112 LYS . 34057 1 113 113 PRO . 34057 1 114 114 TRP . 34057 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34057 1 . GLY 2 2 34057 1 . SER 3 3 34057 1 . SER 4 4 34057 1 . HIS 5 5 34057 1 . HIS 6 6 34057 1 . HIS 7 7 34057 1 . HIS 8 8 34057 1 . HIS 9 9 34057 1 . HIS 10 10 34057 1 . SER 11 11 34057 1 . SER 12 12 34057 1 . GLY 13 13 34057 1 . LEU 14 14 34057 1 . VAL 15 15 34057 1 . PRO 16 16 34057 1 . ARG 17 17 34057 1 . GLY 18 18 34057 1 . SER 19 19 34057 1 . HIS 20 20 34057 1 . MET 21 21 34057 1 . GLN 22 22 34057 1 . LYS 23 23 34057 1 . GLU 24 24 34057 1 . GLY 25 25 34057 1 . PRO 26 26 34057 1 . GLU 27 27 34057 1 . GLY 28 28 34057 1 . ALA 29 29 34057 1 . ASN 30 30 34057 1 . LEU 31 31 34057 1 . PHE 32 32 34057 1 . ILE 33 33 34057 1 . TYR 34 34 34057 1 . HIS 35 35 34057 1 . LEU 36 36 34057 1 . PRO 37 37 34057 1 . GLN 38 38 34057 1 . GLU 39 39 34057 1 . PHE 40 40 34057 1 . GLY 41 41 34057 1 . ASP 42 42 34057 1 . GLN 43 43 34057 1 . ASP 44 44 34057 1 . ILE 45 45 34057 1 . LEU 46 46 34057 1 . GLN 47 47 34057 1 . MET 48 48 34057 1 . PHE 49 49 34057 1 . MET 50 50 34057 1 . PRO 51 51 34057 1 . PHE 52 52 34057 1 . GLY 53 53 34057 1 . ASN 54 54 34057 1 . VAL 55 55 34057 1 . ILE 56 56 34057 1 . SER 57 57 34057 1 . ALA 58 58 34057 1 . LYS 59 59 34057 1 . VAL 60 60 34057 1 . PHE 61 61 34057 1 . ILE 62 62 34057 1 . ASP 63 63 34057 1 . LYS 64 64 34057 1 . GLN 65 65 34057 1 . THR 66 66 34057 1 . ASN 67 67 34057 1 . LEU 68 68 34057 1 . SER 69 69 34057 1 . LYS 70 70 34057 1 . CYS 71 71 34057 1 . PHE 72 72 34057 1 . GLY 73 73 34057 1 . PHE 74 74 34057 1 . VAL 75 75 34057 1 . SER 76 76 34057 1 . TYR 77 77 34057 1 . ASP 78 78 34057 1 . ASN 79 79 34057 1 . PRO 80 80 34057 1 . VAL 81 81 34057 1 . SER 82 82 34057 1 . ALA 83 83 34057 1 . GLN 84 84 34057 1 . ALA 85 85 34057 1 . ALA 86 86 34057 1 . ILE 87 87 34057 1 . GLN 88 88 34057 1 . ALA 89 89 34057 1 . MET 90 90 34057 1 . ASN 91 91 34057 1 . GLY 92 92 34057 1 . PHE 93 93 34057 1 . GLN 94 94 34057 1 . ILE 95 95 34057 1 . GLY 96 96 34057 1 . MET 97 97 34057 1 . LYS 98 98 34057 1 . ARG 99 99 34057 1 . LEU 100 100 34057 1 . LYS 101 101 34057 1 . VAL 102 102 34057 1 . GLN 103 103 34057 1 . LEU 104 104 34057 1 . LYS 105 105 34057 1 . ARG 106 106 34057 1 . SER 107 107 34057 1 . LYS 108 108 34057 1 . ASN 109 109 34057 1 . ASP 110 110 34057 1 . SER 111 111 34057 1 . LYS 112 112 34057 1 . PRO 113 113 34057 1 . TRP 114 114 34057 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34057 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name "RNA (5'-R(*UP*UP*UP*AP*A)-3')" _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; UUUAA ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 5 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1531.952 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 115 U . 34057 2 2 116 U . 34057 2 3 117 U . 34057 2 4 118 A . 34057 2 5 119 A . 34057 2 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 . U 1 1 34057 2 . U 2 2 34057 2 . U 3 3 34057 2 . A 4 4 34057 2 . A 5 5 34057 2 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 34057 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'CELF2, BRUNOL3, CUGBP2, ETR3, NAPOR' . 34057 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34057 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 34057 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34057 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34057 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34057 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.6 mM [U-99% 13C; U-99% 15N] CUG-BP2 third RNA Recognition Motif, 1.8 mM unlabeled 5'-UUUAA-3' RNA, 95% H2O/5% D2O" _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 "5'-UUUAA-3' RNA" non-labeled . . 2 $entity_2 . . 1.8 . . mM . . . . 34057 1 2 'CUG-BP2 third RNA Recognition Motif' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 34057 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 34057 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 34057 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34057 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.8 mM [U-99% 13C; U-99% 15N] CUG-BP2 third RNA Recognition Motif, 0.8 mM non-labeled 5'-UUUAA-3' RNA, 95% H2O/5% D2O" _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 "5'-UUUAA-3' RNA" non-labeled . . 2 $entity_2 . . 0.8 . . mM . . . . 34057 2 2 'CUG-BP2 third RNA Recognition Motif' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 34057 2 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 34057 2 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 34057 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34057 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.8 mM [U-99% 15N] CUG-BP2 third RNA Recognition Motif, 0.8 mM non-labeled 5'-UUUAA-3' RNA, 95% H2O/5% D2O" _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 "5'-UUUAA-3' RNA" non-labeled . . 2 $entity_2 . . 0.8 . . mM . . . . 34057 3 2 'CUG-BP2 third RNA Recognition Motif' '[U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 34057 3 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 34057 3 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 34057 3 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 34057 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 130 . mM 34057 1 pH 5.8 . pH 34057 1 pressure 1 . atm 34057 1 temperature 298 . K 34057 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34057 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34057 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34057 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34057 _Software.ID 2 _Software.Type . _Software.Name CANDID _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 34057 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34057 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34057 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34057 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34057 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34057 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34057 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34057 4 'data analysis' . 34057 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34057 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34057 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34057 5 processing . 34057 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34057 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34057 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AvanceIII HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34057 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 34057 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 34057 _NMR_spectrometer.ID 5 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34057 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 34057 1 2 NMR_spectrometer_2 Bruker 'AvanceIII HD' . 600 . . . 34057 1 3 NMR_spectrometer_3 Bruker AvanceIII . 900 . . . 34057 1 4 NMR_spectrometer_4 Bruker AvanceIII . 750 . . . 34057 1 5 NMR_spectrometer_5 Bruker AvanceIII . 700 . . . 34057 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 34057 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34057 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34057 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34057 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34057 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34057 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34057 1 7 '2D 1H-15N HSQC long range' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34057 1 8 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34057 1 9 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34057 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34057 1 11 '2D F2 13C-filtered 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34057 1 12 'natural abundance 2D 13C-1H HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34057 1 13 '3D F1 13C-filtered 1H-1H NOESY 13C-1H HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34057 1 14 '3D F1 13C-filtered 1H-1H NOESY 13C-1H HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 34057 1 15 '2D spin-echo difference constant time HN(CO)CG' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34057 1 16 '2D spin-echo difference constant time 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 34057 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34057 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 34057 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 34057 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 34057 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34057 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 . _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' . . . 34057 1 2 '2D 1H-13C HSQC aliphatic' . . . 34057 1 3 '2D 1H-13C HSQC aromatic' . . . 34057 1 4 '3D 1H-15N NOESY' . . . 34057 1 5 '3D 1H-13C NOESY aliphatic' . . . 34057 1 6 '3D 1H-13C NOESY aromatic' . . . 34057 1 7 '2D 1H-15N HSQC long range' . . . 34057 1 8 '3D HNHA' . . . 34057 1 9 '2D 1H-1H TOCSY' . . . 34057 1 10 '2D 1H-1H NOESY' . . . 34057 1 11 '2D F2 13C-filtered 1H-1H NOESY' . . . 34057 1 12 'natural abundance 2D 13C-1H HSQC' . . . 34057 1 13 '3D F1 13C-filtered 1H-1H NOESY 13C-1H HSQC aliphatic' . . . 34057 1 14 '3D F1 13C-filtered 1H-1H NOESY 13C-1H HSQC aromatic' . . . 34057 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 13 13 GLY H H 1 8.399 0.020 . . . . . . A 13 GLY H . 34057 1 2 . 1 . 1 13 13 GLY HA2 H 1 3.925 0.020 . . . . . . A 13 GLY HA2 . 34057 1 3 . 1 . 1 13 13 GLY HA3 H 1 3.925 0.020 . . . . . . A 13 GLY HA3 . 34057 1 4 . 1 . 1 13 13 GLY CA C 13 45.235 0.400 . . . . . . A 13 GLY CA . 34057 1 5 . 1 . 1 13 13 GLY N N 15 110.446 0.400 . . . . . . A 13 GLY N . 34057 1 6 . 1 . 1 14 14 LEU H H 1 8.060 0.020 . . . . . . A 14 LEU H . 34057 1 7 . 1 . 1 14 14 LEU HA H 1 4.315 0.020 . . . . . . A 14 LEU HA . 34057 1 8 . 1 . 1 14 14 LEU HB2 H 1 1.552 0.020 . . . . . . A 14 LEU HB2 . 34057 1 9 . 1 . 1 14 14 LEU HB3 H 1 1.495 0.020 . . . . . . A 14 LEU HB3 . 34057 1 10 . 1 . 1 14 14 LEU HG H 1 1.494 0.020 . . . . . . A 14 LEU HG . 34057 1 11 . 1 . 1 14 14 LEU HD11 H 1 0.830 0.020 . . . . . . A 14 LEU HD11 . 34057 1 12 . 1 . 1 14 14 LEU HD12 H 1 0.830 0.020 . . . . . . A 14 LEU HD12 . 34057 1 13 . 1 . 1 14 14 LEU HD13 H 1 0.830 0.020 . . . . . . A 14 LEU HD13 . 34057 1 14 . 1 . 1 14 14 LEU HD21 H 1 0.780 0.020 . . . . . . A 14 LEU HD21 . 34057 1 15 . 1 . 1 14 14 LEU HD22 H 1 0.780 0.020 . . . . . . A 14 LEU HD22 . 34057 1 16 . 1 . 1 14 14 LEU HD23 H 1 0.780 0.020 . . . . . . A 14 LEU HD23 . 34057 1 17 . 1 . 1 14 14 LEU CA C 13 55.273 0.400 . . . . . . A 14 LEU CA . 34057 1 18 . 1 . 1 14 14 LEU CB C 13 42.422 0.400 . . . . . . A 14 LEU CB . 34057 1 19 . 1 . 1 14 14 LEU CG C 13 26.877 0.400 . . . . . . A 14 LEU CG . 34057 1 20 . 1 . 1 14 14 LEU CD1 C 13 24.860 0.400 . . . . . . A 14 LEU CD1 . 34057 1 21 . 1 . 1 14 14 LEU CD2 C 13 23.500 0.400 . . . . . . A 14 LEU CD2 . 34057 1 22 . 1 . 1 14 14 LEU N N 15 121.478 0.400 . . . . . . A 14 LEU N . 34057 1 23 . 1 . 1 15 15 VAL H H 1 8.095 0.020 . . . . . . A 15 VAL H . 34057 1 24 . 1 . 1 15 15 VAL HA H 1 4.341 0.020 . . . . . . A 15 VAL HA . 34057 1 25 . 1 . 1 15 15 VAL HB H 1 2.002 0.020 . . . . . . A 15 VAL HB . 34057 1 26 . 1 . 1 15 15 VAL HG11 H 1 0.882 0.020 . . . . . . A 15 VAL HG11 . 34057 1 27 . 1 . 1 15 15 VAL HG12 H 1 0.882 0.020 . . . . . . A 15 VAL HG12 . 34057 1 28 . 1 . 1 15 15 VAL HG13 H 1 0.882 0.020 . . . . . . A 15 VAL HG13 . 34057 1 29 . 1 . 1 15 15 VAL HG21 H 1 0.882 0.020 . . . . . . A 15 VAL HG21 . 34057 1 30 . 1 . 1 15 15 VAL HG22 H 1 0.882 0.020 . . . . . . A 15 VAL HG22 . 34057 1 31 . 1 . 1 15 15 VAL HG23 H 1 0.882 0.020 . . . . . . A 15 VAL HG23 . 34057 1 32 . 1 . 1 15 15 VAL CA C 13 59.951 0.400 . . . . . . A 15 VAL CA . 34057 1 33 . 1 . 1 15 15 VAL CB C 13 32.706 0.400 . . . . . . A 15 VAL CB . 34057 1 34 . 1 . 1 15 15 VAL CG1 C 13 20.989 0.400 . . . . . . A 15 VAL CG1 . 34057 1 35 . 1 . 1 15 15 VAL N N 15 122.588 0.400 . . . . . . A 15 VAL N . 34057 1 36 . 1 . 1 16 16 PRO HA H 1 4.348 0.020 . . . . . . A 16 PRO HA . 34057 1 37 . 1 . 1 16 16 PRO HG2 H 1 1.889 0.020 . . . . . . A 16 PRO HG2 . 34057 1 38 . 1 . 1 16 16 PRO HG3 H 1 1.974 0.020 . . . . . . A 16 PRO HG3 . 34057 1 39 . 1 . 1 16 16 PRO HD2 H 1 3.804 0.020 . . . . . . A 16 PRO HD2 . 34057 1 40 . 1 . 1 16 16 PRO HD3 H 1 3.589 0.020 . . . . . . A 16 PRO HD3 . 34057 1 41 . 1 . 1 16 16 PRO CA C 13 63.320 0.400 . . . . . . A 16 PRO CA . 34057 1 42 . 1 . 1 16 16 PRO CG C 13 27.450 0.400 . . . . . . A 16 PRO CG . 34057 1 43 . 1 . 1 16 16 PRO CD C 13 51.232 0.400 . . . . . . A 16 PRO CD . 34057 1 44 . 1 . 1 17 17 ARG H H 1 8.457 0.020 . . . . . . A 17 ARG H . 34057 1 45 . 1 . 1 17 17 ARG HA H 1 4.269 0.020 . . . . . . A 17 ARG HA . 34057 1 46 . 1 . 1 17 17 ARG HB2 H 1 1.740 0.020 . . . . . . A 17 ARG HB2 . 34057 1 47 . 1 . 1 17 17 ARG HB3 H 1 1.804 0.020 . . . . . . A 17 ARG HB3 . 34057 1 48 . 1 . 1 17 17 ARG HG2 H 1 1.601 0.020 . . . . . . A 17 ARG HG2 . 34057 1 49 . 1 . 1 17 17 ARG HG3 H 1 1.648 0.020 . . . . . . A 17 ARG HG3 . 34057 1 50 . 1 . 1 17 17 ARG HD2 H 1 3.140 0.020 . . . . . . A 17 ARG HD2 . 34057 1 51 . 1 . 1 17 17 ARG HD3 H 1 3.140 0.020 . . . . . . A 17 ARG HD3 . 34057 1 52 . 1 . 1 17 17 ARG CA C 13 56.571 0.400 . . . . . . A 17 ARG CA . 34057 1 53 . 1 . 1 17 17 ARG CB C 13 30.921 0.400 . . . . . . A 17 ARG CB . 34057 1 54 . 1 . 1 17 17 ARG CG C 13 27.099 0.400 . . . . . . A 17 ARG CG . 34057 1 55 . 1 . 1 17 17 ARG CD C 13 43.407 0.400 . . . . . . A 17 ARG CD . 34057 1 56 . 1 . 1 17 17 ARG N N 15 121.890 0.400 . . . . . . A 17 ARG N . 34057 1 57 . 1 . 1 18 18 GLY H H 1 8.455 0.020 . . . . . . A 18 GLY H . 34057 1 58 . 1 . 1 18 18 GLY HA2 H 1 3.940 0.020 . . . . . . A 18 GLY HA2 . 34057 1 59 . 1 . 1 18 18 GLY HA3 H 1 3.940 0.020 . . . . . . A 18 GLY HA3 . 34057 1 60 . 1 . 1 18 18 GLY CA C 13 45.318 0.400 . . . . . . A 18 GLY CA . 34057 1 61 . 1 . 1 18 18 GLY N N 15 110.122 0.400 . . . . . . A 18 GLY N . 34057 1 62 . 1 . 1 19 19 SER H H 1 8.201 0.020 . . . . . . A 19 SER H . 34057 1 63 . 1 . 1 19 19 SER HA H 1 4.356 0.020 . . . . . . A 19 SER HA . 34057 1 64 . 1 . 1 19 19 SER HB2 H 1 3.804 0.020 . . . . . . A 19 SER HB2 . 34057 1 65 . 1 . 1 19 19 SER HB3 H 1 3.759 0.020 . . . . . . A 19 SER HB3 . 34057 1 66 . 1 . 1 19 19 SER CA C 13 58.500 0.400 . . . . . . A 19 SER CA . 34057 1 67 . 1 . 1 19 19 SER CB C 13 63.870 0.400 . . . . . . A 19 SER CB . 34057 1 68 . 1 . 1 19 19 SER N N 15 115.364 0.400 . . . . . . A 19 SER N . 34057 1 69 . 1 . 1 20 20 HIS H H 1 8.477 0.020 . . . . . . A 20 HIS H . 34057 1 70 . 1 . 1 20 20 HIS HA H 1 4.626 0.020 . . . . . . A 20 HIS HA . 34057 1 71 . 1 . 1 20 20 HIS HB2 H 1 3.052 0.020 . . . . . . A 20 HIS HB2 . 34057 1 72 . 1 . 1 20 20 HIS HB3 H 1 3.153 0.020 . . . . . . A 20 HIS HB3 . 34057 1 73 . 1 . 1 20 20 HIS CA C 13 55.799 0.400 . . . . . . A 20 HIS CA . 34057 1 74 . 1 . 1 20 20 HIS CB C 13 29.795 0.400 . . . . . . A 20 HIS CB . 34057 1 75 . 1 . 1 20 20 HIS N N 15 120.118 0.400 . . . . . . A 20 HIS N . 34057 1 76 . 1 . 1 21 21 MET H H 1 8.208 0.020 . . . . . . A 21 MET H . 34057 1 77 . 1 . 1 21 21 MET HA H 1 4.323 0.020 . . . . . . A 21 MET HA . 34057 1 78 . 1 . 1 21 21 MET HB2 H 1 1.951 0.020 . . . . . . A 21 MET HB2 . 34057 1 79 . 1 . 1 21 21 MET HB3 H 1 1.865 0.020 . . . . . . A 21 MET HB3 . 34057 1 80 . 1 . 1 21 21 MET HG2 H 1 2.401 0.020 . . . . . . A 21 MET HG2 . 34057 1 81 . 1 . 1 21 21 MET HG3 H 1 2.322 0.020 . . . . . . A 21 MET HG3 . 34057 1 82 . 1 . 1 21 21 MET HE1 H 1 1.965 0.020 . . . . . . A 21 MET HE1 . 34057 1 83 . 1 . 1 21 21 MET HE2 H 1 1.965 0.020 . . . . . . A 21 MET HE2 . 34057 1 84 . 1 . 1 21 21 MET HE3 H 1 1.965 0.020 . . . . . . A 21 MET HE3 . 34057 1 85 . 1 . 1 21 21 MET CA C 13 55.639 0.400 . . . . . . A 21 MET CA . 34057 1 86 . 1 . 1 21 21 MET CB C 13 32.879 0.400 . . . . . . A 21 MET CB . 34057 1 87 . 1 . 1 21 21 MET CG C 13 32.040 0.400 . . . . . . A 21 MET CG . 34057 1 88 . 1 . 1 21 21 MET CE C 13 16.993 0.400 . . . . . . A 21 MET CE . 34057 1 89 . 1 . 1 21 21 MET N N 15 120.834 0.400 . . . . . . A 21 MET N . 34057 1 90 . 1 . 1 22 22 GLN H H 1 8.470 0.020 . . . . . . A 22 GLN H . 34057 1 91 . 1 . 1 22 22 GLN HA H 1 4.212 0.020 . . . . . . A 22 GLN HA . 34057 1 92 . 1 . 1 22 22 GLN HB2 H 1 1.788 0.020 . . . . . . A 22 GLN HB2 . 34057 1 93 . 1 . 1 22 22 GLN HB3 H 1 1.788 0.020 . . . . . . A 22 GLN HB3 . 34057 1 94 . 1 . 1 22 22 GLN HG2 H 1 2.178 0.020 . . . . . . A 22 GLN HG2 . 34057 1 95 . 1 . 1 22 22 GLN HG3 H 1 2.091 0.020 . . . . . . A 22 GLN HG3 . 34057 1 96 . 1 . 1 22 22 GLN HE21 H 1 6.715 0.020 . . . . . . A 22 GLN HE21 . 34057 1 97 . 1 . 1 22 22 GLN HE22 H 1 7.385 0.020 . . . . . . A 22 GLN HE22 . 34057 1 98 . 1 . 1 22 22 GLN CA C 13 55.531 0.400 . . . . . . A 22 GLN CA . 34057 1 99 . 1 . 1 22 22 GLN CB C 13 29.339 0.400 . . . . . . A 22 GLN CB . 34057 1 100 . 1 . 1 22 22 GLN CG C 13 33.555 0.400 . . . . . . A 22 GLN CG . 34057 1 101 . 1 . 1 22 22 GLN N N 15 121.825 0.400 . . . . . . A 22 GLN N . 34057 1 102 . 1 . 1 22 22 GLN NE2 N 15 111.793 0.400 . . . . . . A 22 GLN NE2 . 34057 1 103 . 1 . 1 23 23 LYS H H 1 8.248 0.020 . . . . . . A 23 LYS H . 34057 1 104 . 1 . 1 23 23 LYS HA H 1 4.212 0.020 . . . . . . A 23 LYS HA . 34057 1 105 . 1 . 1 23 23 LYS HB2 H 1 1.588 0.020 . . . . . . A 23 LYS HB2 . 34057 1 106 . 1 . 1 23 23 LYS HB3 H 1 1.666 0.020 . . . . . . A 23 LYS HB3 . 34057 1 107 . 1 . 1 23 23 LYS HD2 H 1 1.783 0.020 . . . . . . A 23 LYS HD2 . 34057 1 108 . 1 . 1 23 23 LYS HD3 H 1 1.939 0.020 . . . . . . A 23 LYS HD3 . 34057 1 109 . 1 . 1 23 23 LYS CA C 13 55.764 0.400 . . . . . . A 23 LYS CA . 34057 1 110 . 1 . 1 23 23 LYS CB C 13 33.398 0.400 . . . . . . A 23 LYS CB . 34057 1 111 . 1 . 1 23 23 LYS CD C 13 29.337 0.400 . . . . . . A 23 LYS CD . 34057 1 112 . 1 . 1 23 23 LYS N N 15 122.944 0.400 . . . . . . A 23 LYS N . 34057 1 113 . 1 . 1 24 24 GLU H H 1 8.179 0.020 . . . . . . A 24 GLU H . 34057 1 114 . 1 . 1 24 24 GLU HA H 1 4.461 0.020 . . . . . . A 24 GLU HA . 34057 1 115 . 1 . 1 24 24 GLU HB2 H 1 1.871 0.020 . . . . . . A 24 GLU HB2 . 34057 1 116 . 1 . 1 24 24 GLU HB3 H 1 2.130 0.020 . . . . . . A 24 GLU HB3 . 34057 1 117 . 1 . 1 24 24 GLU HG2 H 1 2.242 0.020 . . . . . . A 24 GLU HG2 . 34057 1 118 . 1 . 1 24 24 GLU HG3 H 1 2.109 0.020 . . . . . . A 24 GLU HG3 . 34057 1 119 . 1 . 1 24 24 GLU CA C 13 55.861 0.400 . . . . . . A 24 GLU CA . 34057 1 120 . 1 . 1 24 24 GLU CB C 13 31.837 0.400 . . . . . . A 24 GLU CB . 34057 1 121 . 1 . 1 24 24 GLU CG C 13 36.604 0.400 . . . . . . A 24 GLU CG . 34057 1 122 . 1 . 1 24 24 GLU N N 15 121.256 0.400 . . . . . . A 24 GLU N . 34057 1 123 . 1 . 1 25 25 GLY H H 1 9.032 0.020 . . . . . . A 25 GLY H . 34057 1 124 . 1 . 1 25 25 GLY HA2 H 1 4.176 0.020 . . . . . . A 25 GLY HA2 . 34057 1 125 . 1 . 1 25 25 GLY HA3 H 1 4.315 0.020 . . . . . . A 25 GLY HA3 . 34057 1 126 . 1 . 1 25 25 GLY CA C 13 44.124 0.400 . . . . . . A 25 GLY CA . 34057 1 127 . 1 . 1 25 25 GLY N N 15 109.582 0.400 . . . . . . A 25 GLY N . 34057 1 128 . 1 . 1 26 26 PRO HA H 1 4.465 0.020 . . . . . . A 26 PRO HA . 34057 1 129 . 1 . 1 26 26 PRO HB2 H 1 2.340 0.020 . . . . . . A 26 PRO HB2 . 34057 1 130 . 1 . 1 26 26 PRO HB3 H 1 1.918 0.020 . . . . . . A 26 PRO HB3 . 34057 1 131 . 1 . 1 26 26 PRO HG2 H 1 2.013 0.020 . . . . . . A 26 PRO HG2 . 34057 1 132 . 1 . 1 26 26 PRO HG3 H 1 1.609 0.020 . . . . . . A 26 PRO HG3 . 34057 1 133 . 1 . 1 26 26 PRO HD2 H 1 3.623 0.020 . . . . . . A 26 PRO HD2 . 34057 1 134 . 1 . 1 26 26 PRO HD3 H 1 3.507 0.020 . . . . . . A 26 PRO HD3 . 34057 1 135 . 1 . 1 26 26 PRO CA C 13 62.520 0.400 . . . . . . A 26 PRO CA . 34057 1 136 . 1 . 1 26 26 PRO CB C 13 32.703 0.400 . . . . . . A 26 PRO CB . 34057 1 137 . 1 . 1 26 26 PRO CG C 13 27.250 0.400 . . . . . . A 26 PRO CG . 34057 1 138 . 1 . 1 26 26 PRO CD C 13 49.063 0.400 . . . . . . A 26 PRO CD . 34057 1 139 . 1 . 1 27 27 GLU H H 1 8.378 0.020 . . . . . . A 27 GLU H . 34057 1 140 . 1 . 1 27 27 GLU HA H 1 4.045 0.020 . . . . . . A 27 GLU HA . 34057 1 141 . 1 . 1 27 27 GLU HB2 H 1 1.913 0.020 . . . . . . A 27 GLU HB2 . 34057 1 142 . 1 . 1 27 27 GLU HB3 H 1 2.023 0.020 . . . . . . A 27 GLU HB3 . 34057 1 143 . 1 . 1 27 27 GLU HG2 H 1 2.325 0.020 . . . . . . A 27 GLU HG2 . 34057 1 144 . 1 . 1 27 27 GLU HG3 H 1 2.286 0.020 . . . . . . A 27 GLU HG3 . 34057 1 145 . 1 . 1 27 27 GLU CA C 13 58.543 0.400 . . . . . . A 27 GLU CA . 34057 1 146 . 1 . 1 27 27 GLU CB C 13 29.323 0.400 . . . . . . A 27 GLU CB . 34057 1 147 . 1 . 1 27 27 GLU CG C 13 35.879 0.400 . . . . . . A 27 GLU CG . 34057 1 148 . 1 . 1 27 27 GLU N N 15 119.152 0.400 . . . . . . A 27 GLU N . 34057 1 149 . 1 . 1 28 28 GLY H H 1 8.429 0.020 . . . . . . A 28 GLY H . 34057 1 150 . 1 . 1 28 28 GLY HA2 H 1 3.786 0.020 . . . . . . A 28 GLY HA2 . 34057 1 151 . 1 . 1 28 28 GLY HA3 H 1 4.342 0.020 . . . . . . A 28 GLY HA3 . 34057 1 152 . 1 . 1 28 28 GLY CA C 13 45.470 0.400 . . . . . . A 28 GLY CA . 34057 1 153 . 1 . 1 28 28 GLY N N 15 112.523 0.400 . . . . . . A 28 GLY N . 34057 1 154 . 1 . 1 29 29 ALA H H 1 8.351 0.020 . . . . . . A 29 ALA H . 34057 1 155 . 1 . 1 29 29 ALA HA H 1 4.603 0.020 . . . . . . A 29 ALA HA . 34057 1 156 . 1 . 1 29 29 ALA HB1 H 1 1.122 0.020 . . . . . . A 29 ALA HB1 . 34057 1 157 . 1 . 1 29 29 ALA HB2 H 1 1.122 0.020 . . . . . . A 29 ALA HB2 . 34057 1 158 . 1 . 1 29 29 ALA HB3 H 1 1.122 0.020 . . . . . . A 29 ALA HB3 . 34057 1 159 . 1 . 1 29 29 ALA CA C 13 51.203 0.400 . . . . . . A 29 ALA CA . 34057 1 160 . 1 . 1 29 29 ALA CB C 13 20.924 0.400 . . . . . . A 29 ALA CB . 34057 1 161 . 1 . 1 29 29 ALA N N 15 119.579 0.400 . . . . . . A 29 ALA N . 34057 1 162 . 1 . 1 30 30 ASN H H 1 7.476 0.020 . . . . . . A 30 ASN H . 34057 1 163 . 1 . 1 30 30 ASN HA H 1 5.259 0.020 . . . . . . A 30 ASN HA . 34057 1 164 . 1 . 1 30 30 ASN HB2 H 1 2.607 0.020 . . . . . . A 30 ASN HB2 . 34057 1 165 . 1 . 1 30 30 ASN HB3 H 1 2.812 0.020 . . . . . . A 30 ASN HB3 . 34057 1 166 . 1 . 1 30 30 ASN HD21 H 1 6.716 0.020 . . . . . . A 30 ASN HD21 . 34057 1 167 . 1 . 1 30 30 ASN HD22 H 1 7.748 0.020 . . . . . . A 30 ASN HD22 . 34057 1 168 . 1 . 1 30 30 ASN CA C 13 53.178 0.400 . . . . . . A 30 ASN CA . 34057 1 169 . 1 . 1 30 30 ASN CB C 13 41.448 0.400 . . . . . . A 30 ASN CB . 34057 1 170 . 1 . 1 30 30 ASN N N 15 114.968 0.400 . . . . . . A 30 ASN N . 34057 1 171 . 1 . 1 30 30 ASN ND2 N 15 118.078 0.400 . . . . . . A 30 ASN ND2 . 34057 1 172 . 1 . 1 31 31 LEU H H 1 9.457 0.020 . . . . . . A 31 LEU H . 34057 1 173 . 1 . 1 31 31 LEU HA H 1 5.039 0.020 . . . . . . A 31 LEU HA . 34057 1 174 . 1 . 1 31 31 LEU HB2 H 1 1.068 0.020 . . . . . . A 31 LEU HB2 . 34057 1 175 . 1 . 1 31 31 LEU HB3 H 1 1.603 0.020 . . . . . . A 31 LEU HB3 . 34057 1 176 . 1 . 1 31 31 LEU HG H 1 1.486 0.020 . . . . . . A 31 LEU HG . 34057 1 177 . 1 . 1 31 31 LEU HD11 H 1 0.708 0.020 . . . . . . A 31 LEU HD11 . 34057 1 178 . 1 . 1 31 31 LEU HD12 H 1 0.708 0.020 . . . . . . A 31 LEU HD12 . 34057 1 179 . 1 . 1 31 31 LEU HD13 H 1 0.708 0.020 . . . . . . A 31 LEU HD13 . 34057 1 180 . 1 . 1 31 31 LEU HD21 H 1 0.743 0.020 . . . . . . A 31 LEU HD21 . 34057 1 181 . 1 . 1 31 31 LEU HD22 H 1 0.743 0.020 . . . . . . A 31 LEU HD22 . 34057 1 182 . 1 . 1 31 31 LEU HD23 H 1 0.743 0.020 . . . . . . A 31 LEU HD23 . 34057 1 183 . 1 . 1 31 31 LEU CA C 13 53.974 0.400 . . . . . . A 31 LEU CA . 34057 1 184 . 1 . 1 31 31 LEU CB C 13 45.669 0.400 . . . . . . A 31 LEU CB . 34057 1 185 . 1 . 1 31 31 LEU CG C 13 26.588 0.400 . . . . . . A 31 LEU CG . 34057 1 186 . 1 . 1 31 31 LEU CD1 C 13 25.314 0.400 . . . . . . A 31 LEU CD1 . 34057 1 187 . 1 . 1 31 31 LEU CD2 C 13 26.658 0.400 . . . . . . A 31 LEU CD2 . 34057 1 188 . 1 . 1 31 31 LEU N N 15 123.807 0.400 . . . . . . A 31 LEU N . 34057 1 189 . 1 . 1 32 32 PHE H H 1 9.140 0.020 . . . . . . A 32 PHE H . 34057 1 190 . 1 . 1 32 32 PHE HA H 1 5.169 0.020 . . . . . . A 32 PHE HA . 34057 1 191 . 1 . 1 32 32 PHE HB2 H 1 2.737 0.020 . . . . . . A 32 PHE HB2 . 34057 1 192 . 1 . 1 32 32 PHE HB3 H 1 2.737 0.020 . . . . . . A 32 PHE HB3 . 34057 1 193 . 1 . 1 32 32 PHE HD1 H 1 7.089 0.020 . . . . . . A 32 PHE HD1 . 34057 1 194 . 1 . 1 32 32 PHE HD2 H 1 7.089 0.020 . . . . . . A 32 PHE HD2 . 34057 1 195 . 1 . 1 32 32 PHE HE1 H 1 6.923 0.020 . . . . . . A 32 PHE HE1 . 34057 1 196 . 1 . 1 32 32 PHE HE2 H 1 6.923 0.020 . . . . . . A 32 PHE HE2 . 34057 1 197 . 1 . 1 32 32 PHE HZ H 1 6.735 0.020 . . . . . . A 32 PHE HZ . 34057 1 198 . 1 . 1 32 32 PHE CA C 13 56.789 0.400 . . . . . . A 32 PHE CA . 34057 1 199 . 1 . 1 32 32 PHE CB C 13 43.221 0.400 . . . . . . A 32 PHE CB . 34057 1 200 . 1 . 1 32 32 PHE CD1 C 13 131.209 0.400 . . . . . . A 32 PHE CD1 . 34057 1 201 . 1 . 1 32 32 PHE CE1 C 13 130.497 0.400 . . . . . . A 32 PHE CE1 . 34057 1 202 . 1 . 1 32 32 PHE CZ C 13 129.297 0.400 . . . . . . A 32 PHE CZ . 34057 1 203 . 1 . 1 32 32 PHE N N 15 119.903 0.400 . . . . . . A 32 PHE N . 34057 1 204 . 1 . 1 33 33 ILE H H 1 8.203 0.020 . . . . . . A 33 ILE H . 34057 1 205 . 1 . 1 33 33 ILE HA H 1 4.977 0.020 . . . . . . A 33 ILE HA . 34057 1 206 . 1 . 1 33 33 ILE HB H 1 1.257 0.020 . . . . . . A 33 ILE HB . 34057 1 207 . 1 . 1 33 33 ILE HG12 H 1 0.847 0.020 . . . . . . A 33 ILE HG12 . 34057 1 208 . 1 . 1 33 33 ILE HG13 H 1 1.077 0.020 . . . . . . A 33 ILE HG13 . 34057 1 209 . 1 . 1 33 33 ILE HG21 H 1 0.833 0.020 . . . . . . A 33 ILE HG21 . 34057 1 210 . 1 . 1 33 33 ILE HG22 H 1 0.833 0.020 . . . . . . A 33 ILE HG22 . 34057 1 211 . 1 . 1 33 33 ILE HG23 H 1 0.833 0.020 . . . . . . A 33 ILE HG23 . 34057 1 212 . 1 . 1 33 33 ILE HD11 H 1 0.183 0.020 . . . . . . A 33 ILE HD11 . 34057 1 213 . 1 . 1 33 33 ILE HD12 H 1 0.183 0.020 . . . . . . A 33 ILE HD12 . 34057 1 214 . 1 . 1 33 33 ILE HD13 H 1 0.183 0.020 . . . . . . A 33 ILE HD13 . 34057 1 215 . 1 . 1 33 33 ILE CA C 13 59.340 0.400 . . . . . . A 33 ILE CA . 34057 1 216 . 1 . 1 33 33 ILE CB C 13 41.125 0.400 . . . . . . A 33 ILE CB . 34057 1 217 . 1 . 1 33 33 ILE CG1 C 13 28.885 0.400 . . . . . . A 33 ILE CG1 . 34057 1 218 . 1 . 1 33 33 ILE CG2 C 13 20.537 0.400 . . . . . . A 33 ILE CG2 . 34057 1 219 . 1 . 1 33 33 ILE CD1 C 13 16.004 0.400 . . . . . . A 33 ILE CD1 . 34057 1 220 . 1 . 1 33 33 ILE N N 15 121.927 0.400 . . . . . . A 33 ILE N . 34057 1 221 . 1 . 1 34 34 TYR H H 1 9.260 0.020 . . . . . . A 34 TYR H . 34057 1 222 . 1 . 1 34 34 TYR HA H 1 4.989 0.020 . . . . . . A 34 TYR HA . 34057 1 223 . 1 . 1 34 34 TYR HB2 H 1 2.497 0.020 . . . . . . A 34 TYR HB2 . 34057 1 224 . 1 . 1 34 34 TYR HB3 H 1 2.661 0.020 . . . . . . A 34 TYR HB3 . 34057 1 225 . 1 . 1 34 34 TYR HD1 H 1 6.606 0.020 . . . . . . A 34 TYR HD1 . 34057 1 226 . 1 . 1 34 34 TYR HD2 H 1 6.606 0.020 . . . . . . A 34 TYR HD2 . 34057 1 227 . 1 . 1 34 34 TYR HE1 H 1 6.321 0.020 . . . . . . A 34 TYR HE1 . 34057 1 228 . 1 . 1 34 34 TYR HE2 H 1 6.321 0.020 . . . . . . A 34 TYR HE2 . 34057 1 229 . 1 . 1 34 34 TYR CA C 13 56.691 0.400 . . . . . . A 34 TYR CA . 34057 1 230 . 1 . 1 34 34 TYR CB C 13 40.734 0.400 . . . . . . A 34 TYR CB . 34057 1 231 . 1 . 1 34 34 TYR CD1 C 13 133.361 0.400 . . . . . . A 34 TYR CD1 . 34057 1 232 . 1 . 1 34 34 TYR CE1 C 13 117.743 0.400 . . . . . . A 34 TYR CE1 . 34057 1 233 . 1 . 1 34 34 TYR N N 15 122.392 0.400 . . . . . . A 34 TYR N . 34057 1 234 . 1 . 1 35 35 HIS H H 1 8.471 0.020 . . . . . . A 35 HIS H . 34057 1 235 . 1 . 1 35 35 HIS HA H 1 4.421 0.020 . . . . . . A 35 HIS HA . 34057 1 236 . 1 . 1 35 35 HIS HB2 H 1 3.980 0.020 . . . . . . A 35 HIS HB2 . 34057 1 237 . 1 . 1 35 35 HIS HB3 H 1 3.129 0.020 . . . . . . A 35 HIS HB3 . 34057 1 238 . 1 . 1 35 35 HIS HD2 H 1 7.142 0.020 . . . . . . A 35 HIS HD2 . 34057 1 239 . 1 . 1 35 35 HIS CA C 13 55.974 0.400 . . . . . . A 35 HIS CA . 34057 1 240 . 1 . 1 35 35 HIS CB C 13 26.475 0.400 . . . . . . A 35 HIS CB . 34057 1 241 . 1 . 1 35 35 HIS CD2 C 13 120.279 0.400 . . . . . . A 35 HIS CD2 . 34057 1 242 . 1 . 1 35 35 HIS N N 15 111.989 0.400 . . . . . . A 35 HIS N . 34057 1 243 . 1 . 1 36 36 LEU H H 1 7.454 0.020 . . . . . . A 36 LEU H . 34057 1 244 . 1 . 1 36 36 LEU HA H 1 3.976 0.020 . . . . . . A 36 LEU HA . 34057 1 245 . 1 . 1 36 36 LEU HB2 H 1 1.125 0.020 . . . . . . A 36 LEU HB2 . 34057 1 246 . 1 . 1 36 36 LEU HB3 H 1 1.020 0.020 . . . . . . A 36 LEU HB3 . 34057 1 247 . 1 . 1 36 36 LEU HG H 1 1.327 0.020 . . . . . . A 36 LEU HG . 34057 1 248 . 1 . 1 36 36 LEU HD11 H 1 0.648 0.020 . . . . . . A 36 LEU HD11 . 34057 1 249 . 1 . 1 36 36 LEU HD12 H 1 0.648 0.020 . . . . . . A 36 LEU HD12 . 34057 1 250 . 1 . 1 36 36 LEU HD13 H 1 0.648 0.020 . . . . . . A 36 LEU HD13 . 34057 1 251 . 1 . 1 36 36 LEU HD21 H 1 0.565 0.020 . . . . . . A 36 LEU HD21 . 34057 1 252 . 1 . 1 36 36 LEU HD22 H 1 0.565 0.020 . . . . . . A 36 LEU HD22 . 34057 1 253 . 1 . 1 36 36 LEU HD23 H 1 0.565 0.020 . . . . . . A 36 LEU HD23 . 34057 1 254 . 1 . 1 36 36 LEU CA C 13 53.146 0.400 . . . . . . A 36 LEU CA . 34057 1 255 . 1 . 1 36 36 LEU CB C 13 42.476 0.400 . . . . . . A 36 LEU CB . 34057 1 256 . 1 . 1 36 36 LEU CG C 13 27.014 0.400 . . . . . . A 36 LEU CG . 34057 1 257 . 1 . 1 36 36 LEU CD1 C 13 23.957 0.400 . . . . . . A 36 LEU CD1 . 34057 1 258 . 1 . 1 36 36 LEU CD2 C 13 26.675 0.400 . . . . . . A 36 LEU CD2 . 34057 1 259 . 1 . 1 36 36 LEU N N 15 113.660 0.400 . . . . . . A 36 LEU N . 34057 1 260 . 1 . 1 37 37 PRO HA H 1 4.278 0.020 . . . . . . A 37 PRO HA . 34057 1 261 . 1 . 1 37 37 PRO HB2 H 1 1.391 0.020 . . . . . . A 37 PRO HB2 . 34057 1 262 . 1 . 1 37 37 PRO HB3 H 1 1.391 0.020 . . . . . . A 37 PRO HB3 . 34057 1 263 . 1 . 1 37 37 PRO HG2 H 1 1.235 0.020 . . . . . . A 37 PRO HG2 . 34057 1 264 . 1 . 1 37 37 PRO HG3 H 1 1.235 0.020 . . . . . . A 37 PRO HG3 . 34057 1 265 . 1 . 1 37 37 PRO HD2 H 1 2.347 0.020 . . . . . . A 37 PRO HD2 . 34057 1 266 . 1 . 1 37 37 PRO HD3 H 1 3.325 0.020 . . . . . . A 37 PRO HD3 . 34057 1 267 . 1 . 1 37 37 PRO CA C 13 63.059 0.400 . . . . . . A 37 PRO CA . 34057 1 268 . 1 . 1 37 37 PRO CB C 13 32.318 0.400 . . . . . . A 37 PRO CB . 34057 1 269 . 1 . 1 37 37 PRO CG C 13 28.256 0.400 . . . . . . A 37 PRO CG . 34057 1 270 . 1 . 1 37 37 PRO CD C 13 49.892 0.400 . . . . . . A 37 PRO CD . 34057 1 271 . 1 . 1 38 38 GLN H H 1 9.129 0.020 . . . . . . A 38 GLN H . 34057 1 272 . 1 . 1 38 38 GLN HA H 1 4.103 0.020 . . . . . . A 38 GLN HA . 34057 1 273 . 1 . 1 38 38 GLN HB2 H 1 2.116 0.020 . . . . . . A 38 GLN HB2 . 34057 1 274 . 1 . 1 38 38 GLN HB3 H 1 2.119 0.020 . . . . . . A 38 GLN HB3 . 34057 1 275 . 1 . 1 38 38 GLN HG2 H 1 2.465 0.020 . . . . . . A 38 GLN HG2 . 34057 1 276 . 1 . 1 38 38 GLN HG3 H 1 2.359 0.020 . . . . . . A 38 GLN HG3 . 34057 1 277 . 1 . 1 38 38 GLN HE21 H 1 7.043 0.020 . . . . . . A 38 GLN HE21 . 34057 1 278 . 1 . 1 38 38 GLN HE22 H 1 7.631 0.020 . . . . . . A 38 GLN HE22 . 34057 1 279 . 1 . 1 38 38 GLN CA C 13 59.279 0.400 . . . . . . A 38 GLN CA . 34057 1 280 . 1 . 1 38 38 GLN CB C 13 28.942 0.400 . . . . . . A 38 GLN CB . 34057 1 281 . 1 . 1 38 38 GLN CG C 13 34.188 0.400 . . . . . . A 38 GLN CG . 34057 1 282 . 1 . 1 38 38 GLN N N 15 126.183 0.400 . . . . . . A 38 GLN N . 34057 1 283 . 1 . 1 38 38 GLN NE2 N 15 112.908 0.400 . . . . . . A 38 GLN NE2 . 34057 1 284 . 1 . 1 39 39 GLU H H 1 9.195 0.020 . . . . . . A 39 GLU H . 34057 1 285 . 1 . 1 39 39 GLU HA H 1 4.297 0.020 . . . . . . A 39 GLU HA . 34057 1 286 . 1 . 1 39 39 GLU HB2 H 1 2.089 0.020 . . . . . . A 39 GLU HB2 . 34057 1 287 . 1 . 1 39 39 GLU HB3 H 1 2.089 0.020 . . . . . . A 39 GLU HB3 . 34057 1 288 . 1 . 1 39 39 GLU HG2 H 1 2.353 0.020 . . . . . . A 39 GLU HG2 . 34057 1 289 . 1 . 1 39 39 GLU HG3 H 1 2.353 0.020 . . . . . . A 39 GLU HG3 . 34057 1 290 . 1 . 1 39 39 GLU CA C 13 57.456 0.400 . . . . . . A 39 GLU CA . 34057 1 291 . 1 . 1 39 39 GLU CB C 13 28.696 0.400 . . . . . . A 39 GLU CB . 34057 1 292 . 1 . 1 39 39 GLU CG C 13 36.314 0.400 . . . . . . A 39 GLU CG . 34057 1 293 . 1 . 1 39 39 GLU N N 15 114.213 0.400 . . . . . . A 39 GLU N . 34057 1 294 . 1 . 1 40 40 PHE H H 1 7.552 0.020 . . . . . . A 40 PHE H . 34057 1 295 . 1 . 1 40 40 PHE HA H 1 4.667 0.020 . . . . . . A 40 PHE HA . 34057 1 296 . 1 . 1 40 40 PHE HB2 H 1 2.825 0.020 . . . . . . A 40 PHE HB2 . 34057 1 297 . 1 . 1 40 40 PHE HB3 H 1 3.411 0.020 . . . . . . A 40 PHE HB3 . 34057 1 298 . 1 . 1 40 40 PHE HD1 H 1 6.971 0.020 . . . . . . A 40 PHE HD1 . 34057 1 299 . 1 . 1 40 40 PHE HD2 H 1 6.971 0.020 . . . . . . A 40 PHE HD2 . 34057 1 300 . 1 . 1 40 40 PHE HE1 H 1 7.310 0.020 . . . . . . A 40 PHE HE1 . 34057 1 301 . 1 . 1 40 40 PHE HE2 H 1 7.310 0.020 . . . . . . A 40 PHE HE2 . 34057 1 302 . 1 . 1 40 40 PHE HZ H 1 7.338 0.020 . . . . . . A 40 PHE HZ . 34057 1 303 . 1 . 1 40 40 PHE CA C 13 58.018 0.400 . . . . . . A 40 PHE CA . 34057 1 304 . 1 . 1 40 40 PHE CB C 13 39.267 0.400 . . . . . . A 40 PHE CB . 34057 1 305 . 1 . 1 40 40 PHE CD1 C 13 129.679 0.400 . . . . . . A 40 PHE CD1 . 34057 1 306 . 1 . 1 40 40 PHE CE1 C 13 131.934 0.400 . . . . . . A 40 PHE CE1 . 34057 1 307 . 1 . 1 40 40 PHE CZ C 13 130.431 0.400 . . . . . . A 40 PHE CZ . 34057 1 308 . 1 . 1 40 40 PHE N N 15 121.628 0.400 . . . . . . A 40 PHE N . 34057 1 309 . 1 . 1 41 41 GLY H H 1 9.771 0.020 . . . . . . A 41 GLY H . 34057 1 310 . 1 . 1 41 41 GLY HA2 H 1 4.614 0.020 . . . . . . A 41 GLY HA2 . 34057 1 311 . 1 . 1 41 41 GLY HA3 H 1 3.865 0.020 . . . . . . A 41 GLY HA3 . 34057 1 312 . 1 . 1 41 41 GLY CA C 13 43.322 0.400 . . . . . . A 41 GLY CA . 34057 1 313 . 1 . 1 41 41 GLY N N 15 113.290 0.400 . . . . . . A 41 GLY N . 34057 1 314 . 1 . 1 42 42 ASP H H 1 8.669 0.020 . . . . . . A 42 ASP H . 34057 1 315 . 1 . 1 42 42 ASP HA H 1 3.998 0.020 . . . . . . A 42 ASP HA . 34057 1 316 . 1 . 1 42 42 ASP HB2 H 1 2.575 0.020 . . . . . . A 42 ASP HB2 . 34057 1 317 . 1 . 1 42 42 ASP HB3 H 1 2.760 0.020 . . . . . . A 42 ASP HB3 . 34057 1 318 . 1 . 1 42 42 ASP CA C 13 58.278 0.400 . . . . . . A 42 ASP CA . 34057 1 319 . 1 . 1 42 42 ASP CB C 13 40.255 0.400 . . . . . . A 42 ASP CB . 34057 1 320 . 1 . 1 42 42 ASP N N 15 121.533 0.400 . . . . . . A 42 ASP N . 34057 1 321 . 1 . 1 43 43 GLN H H 1 8.765 0.020 . . . . . . A 43 GLN H . 34057 1 322 . 1 . 1 43 43 GLN HA H 1 3.959 0.020 . . . . . . A 43 GLN HA . 34057 1 323 . 1 . 1 43 43 GLN HB2 H 1 1.947 0.020 . . . . . . A 43 GLN HB2 . 34057 1 324 . 1 . 1 43 43 GLN HB3 H 1 2.015 0.020 . . . . . . A 43 GLN HB3 . 34057 1 325 . 1 . 1 43 43 GLN HG2 H 1 2.340 0.020 . . . . . . A 43 GLN HG2 . 34057 1 326 . 1 . 1 43 43 GLN HG3 H 1 2.340 0.020 . . . . . . A 43 GLN HG3 . 34057 1 327 . 1 . 1 43 43 GLN HE21 H 1 6.827 0.020 . . . . . . A 43 GLN HE21 . 34057 1 328 . 1 . 1 43 43 GLN HE22 H 1 7.533 0.020 . . . . . . A 43 GLN HE22 . 34057 1 329 . 1 . 1 43 43 GLN CA C 13 58.710 0.400 . . . . . . A 43 GLN CA . 34057 1 330 . 1 . 1 43 43 GLN CB C 13 27.925 0.400 . . . . . . A 43 GLN CB . 34057 1 331 . 1 . 1 43 43 GLN CG C 13 33.658 0.400 . . . . . . A 43 GLN CG . 34057 1 332 . 1 . 1 43 43 GLN N N 15 116.182 0.400 . . . . . . A 43 GLN N . 34057 1 333 . 1 . 1 43 43 GLN NE2 N 15 112.007 0.400 . . . . . . A 43 GLN NE2 . 34057 1 334 . 1 . 1 44 44 ASP H H 1 7.146 0.020 . . . . . . A 44 ASP H . 34057 1 335 . 1 . 1 44 44 ASP HA H 1 4.049 0.020 . . . . . . A 44 ASP HA . 34057 1 336 . 1 . 1 44 44 ASP HB2 H 1 1.123 0.020 . . . . . . A 44 ASP HB2 . 34057 1 337 . 1 . 1 44 44 ASP HB3 H 1 2.031 0.020 . . . . . . A 44 ASP HB3 . 34057 1 338 . 1 . 1 44 44 ASP CA C 13 57.186 0.400 . . . . . . A 44 ASP CA . 34057 1 339 . 1 . 1 44 44 ASP CB C 13 40.225 0.400 . . . . . . A 44 ASP CB . 34057 1 340 . 1 . 1 44 44 ASP N N 15 117.356 0.400 . . . . . . A 44 ASP N . 34057 1 341 . 1 . 1 45 45 ILE H H 1 7.575 0.020 . . . . . . A 45 ILE H . 34057 1 342 . 1 . 1 45 45 ILE HA H 1 4.109 0.020 . . . . . . A 45 ILE HA . 34057 1 343 . 1 . 1 45 45 ILE HB H 1 1.689 0.020 . . . . . . A 45 ILE HB . 34057 1 344 . 1 . 1 45 45 ILE HG12 H 1 1.479 0.020 . . . . . . A 45 ILE HG12 . 34057 1 345 . 1 . 1 45 45 ILE HG13 H 1 1.209 0.020 . . . . . . A 45 ILE HG13 . 34057 1 346 . 1 . 1 45 45 ILE HG21 H 1 0.850 0.020 . . . . . . A 45 ILE HG21 . 34057 1 347 . 1 . 1 45 45 ILE HG22 H 1 0.850 0.020 . . . . . . A 45 ILE HG22 . 34057 1 348 . 1 . 1 45 45 ILE HG23 H 1 0.850 0.020 . . . . . . A 45 ILE HG23 . 34057 1 349 . 1 . 1 45 45 ILE HD11 H 1 0.601 0.020 . . . . . . A 45 ILE HD11 . 34057 1 350 . 1 . 1 45 45 ILE HD12 H 1 0.601 0.020 . . . . . . A 45 ILE HD12 . 34057 1 351 . 1 . 1 45 45 ILE HD13 H 1 0.601 0.020 . . . . . . A 45 ILE HD13 . 34057 1 352 . 1 . 1 45 45 ILE CA C 13 64.770 0.400 . . . . . . A 45 ILE CA . 34057 1 353 . 1 . 1 45 45 ILE CB C 13 37.875 0.400 . . . . . . A 45 ILE CB . 34057 1 354 . 1 . 1 45 45 ILE CG1 C 13 28.925 0.400 . . . . . . A 45 ILE CG1 . 34057 1 355 . 1 . 1 45 45 ILE CG2 C 13 18.264 0.400 . . . . . . A 45 ILE CG2 . 34057 1 356 . 1 . 1 45 45 ILE CD1 C 13 13.906 0.400 . . . . . . A 45 ILE CD1 . 34057 1 357 . 1 . 1 45 45 ILE N N 15 116.686 0.400 . . . . . . A 45 ILE N . 34057 1 358 . 1 . 1 46 46 LEU H H 1 7.889 0.020 . . . . . . A 46 LEU H . 34057 1 359 . 1 . 1 46 46 LEU HA H 1 3.819 0.020 . . . . . . A 46 LEU HA . 34057 1 360 . 1 . 1 46 46 LEU HB2 H 1 1.616 0.020 . . . . . . A 46 LEU HB2 . 34057 1 361 . 1 . 1 46 46 LEU HB3 H 1 1.815 0.020 . . . . . . A 46 LEU HB3 . 34057 1 362 . 1 . 1 46 46 LEU HG H 1 1.490 0.020 . . . . . . A 46 LEU HG . 34057 1 363 . 1 . 1 46 46 LEU HD11 H 1 0.871 0.020 . . . . . . A 46 LEU HD11 . 34057 1 364 . 1 . 1 46 46 LEU HD12 H 1 0.871 0.020 . . . . . . A 46 LEU HD12 . 34057 1 365 . 1 . 1 46 46 LEU HD13 H 1 0.871 0.020 . . . . . . A 46 LEU HD13 . 34057 1 366 . 1 . 1 46 46 LEU HD21 H 1 0.843 0.020 . . . . . . A 46 LEU HD21 . 34057 1 367 . 1 . 1 46 46 LEU HD22 H 1 0.843 0.020 . . . . . . A 46 LEU HD22 . 34057 1 368 . 1 . 1 46 46 LEU HD23 H 1 0.843 0.020 . . . . . . A 46 LEU HD23 . 34057 1 369 . 1 . 1 46 46 LEU CA C 13 59.297 0.400 . . . . . . A 46 LEU CA . 34057 1 370 . 1 . 1 46 46 LEU CB C 13 41.728 0.400 . . . . . . A 46 LEU CB . 34057 1 371 . 1 . 1 46 46 LEU CG C 13 27.078 0.400 . . . . . . A 46 LEU CG . 34057 1 372 . 1 . 1 46 46 LEU CD1 C 13 25.359 0.400 . . . . . . A 46 LEU CD1 . 34057 1 373 . 1 . 1 46 46 LEU CD2 C 13 23.722 0.400 . . . . . . A 46 LEU CD2 . 34057 1 374 . 1 . 1 46 46 LEU N N 15 123.191 0.400 . . . . . . A 46 LEU N . 34057 1 375 . 1 . 1 47 47 GLN H H 1 7.816 0.020 . . . . . . A 47 GLN H . 34057 1 376 . 1 . 1 47 47 GLN HA H 1 3.924 0.020 . . . . . . A 47 GLN HA . 34057 1 377 . 1 . 1 47 47 GLN HB2 H 1 2.076 0.020 . . . . . . A 47 GLN HB2 . 34057 1 378 . 1 . 1 47 47 GLN HB3 H 1 2.076 0.020 . . . . . . A 47 GLN HB3 . 34057 1 379 . 1 . 1 47 47 GLN HG2 H 1 2.438 0.020 . . . . . . A 47 GLN HG2 . 34057 1 380 . 1 . 1 47 47 GLN HG3 H 1 2.438 0.020 . . . . . . A 47 GLN HG3 . 34057 1 381 . 1 . 1 47 47 GLN HE21 H 1 6.870 0.020 . . . . . . A 47 GLN HE21 . 34057 1 382 . 1 . 1 47 47 GLN HE22 H 1 7.474 0.020 . . . . . . A 47 GLN HE22 . 34057 1 383 . 1 . 1 47 47 GLN CA C 13 58.962 0.400 . . . . . . A 47 GLN CA . 34057 1 384 . 1 . 1 47 47 GLN CB C 13 28.341 0.400 . . . . . . A 47 GLN CB . 34057 1 385 . 1 . 1 47 47 GLN CG C 13 33.859 0.400 . . . . . . A 47 GLN CG . 34057 1 386 . 1 . 1 47 47 GLN N N 15 115.358 0.400 . . . . . . A 47 GLN N . 34057 1 387 . 1 . 1 47 47 GLN NE2 N 15 111.959 0.400 . . . . . . A 47 GLN NE2 . 34057 1 388 . 1 . 1 48 48 MET H H 1 7.476 0.020 . . . . . . A 48 MET H . 34057 1 389 . 1 . 1 48 48 MET HA H 1 3.928 0.020 . . . . . . A 48 MET HA . 34057 1 390 . 1 . 1 48 48 MET HB2 H 1 1.928 0.020 . . . . . . A 48 MET HB2 . 34057 1 391 . 1 . 1 48 48 MET HB3 H 1 2.225 0.020 . . . . . . A 48 MET HB3 . 34057 1 392 . 1 . 1 48 48 MET HG2 H 1 2.258 0.020 . . . . . . A 48 MET HG2 . 34057 1 393 . 1 . 1 48 48 MET HG3 H 1 1.838 0.020 . . . . . . A 48 MET HG3 . 34057 1 394 . 1 . 1 48 48 MET HE1 H 1 2.019 0.020 . . . . . . A 48 MET HE1 . 34057 1 395 . 1 . 1 48 48 MET HE2 H 1 2.019 0.020 . . . . . . A 48 MET HE2 . 34057 1 396 . 1 . 1 48 48 MET HE3 H 1 2.019 0.020 . . . . . . A 48 MET HE3 . 34057 1 397 . 1 . 1 48 48 MET CA C 13 58.598 0.400 . . . . . . A 48 MET CA . 34057 1 398 . 1 . 1 48 48 MET CB C 13 34.712 0.400 . . . . . . A 48 MET CB . 34057 1 399 . 1 . 1 48 48 MET CG C 13 32.102 0.400 . . . . . . A 48 MET CG . 34057 1 400 . 1 . 1 48 48 MET CE C 13 17.861 0.400 . . . . . . A 48 MET CE . 34057 1 401 . 1 . 1 48 48 MET N N 15 115.399 0.400 . . . . . . A 48 MET N . 34057 1 402 . 1 . 1 49 49 PHE H H 1 7.685 0.020 . . . . . . A 49 PHE H . 34057 1 403 . 1 . 1 49 49 PHE HA H 1 4.756 0.020 . . . . . . A 49 PHE HA . 34057 1 404 . 1 . 1 49 49 PHE HB2 H 1 3.544 0.020 . . . . . . A 49 PHE HB2 . 34057 1 405 . 1 . 1 49 49 PHE HB3 H 1 2.690 0.020 . . . . . . A 49 PHE HB3 . 34057 1 406 . 1 . 1 49 49 PHE HD1 H 1 7.916 0.020 . . . . . . A 49 PHE HD1 . 34057 1 407 . 1 . 1 49 49 PHE HD2 H 1 7.916 0.020 . . . . . . A 49 PHE HD2 . 34057 1 408 . 1 . 1 49 49 PHE HE1 H 1 6.902 0.020 . . . . . . A 49 PHE HE1 . 34057 1 409 . 1 . 1 49 49 PHE HE2 H 1 6.902 0.020 . . . . . . A 49 PHE HE2 . 34057 1 410 . 1 . 1 49 49 PHE HZ H 1 6.860 0.020 . . . . . . A 49 PHE HZ . 34057 1 411 . 1 . 1 49 49 PHE CB C 13 38.603 0.400 . . . . . . A 49 PHE CB . 34057 1 412 . 1 . 1 49 49 PHE CD1 C 13 132.418 0.400 . . . . . . A 49 PHE CD1 . 34057 1 413 . 1 . 1 49 49 PHE CE1 C 13 130.081 0.400 . . . . . . A 49 PHE CE1 . 34057 1 414 . 1 . 1 49 49 PHE CZ C 13 128.384 0.400 . . . . . . A 49 PHE CZ . 34057 1 415 . 1 . 1 49 49 PHE N N 15 112.428 0.400 . . . . . . A 49 PHE N . 34057 1 416 . 1 . 1 50 50 MET H H 1 8.525 0.020 . . . . . . A 50 MET H . 34057 1 417 . 1 . 1 50 50 MET HA H 1 4.664 0.020 . . . . . . A 50 MET HA . 34057 1 418 . 1 . 1 50 50 MET HB2 H 1 2.179 0.020 . . . . . . A 50 MET HB2 . 34057 1 419 . 1 . 1 50 50 MET HB3 H 1 2.264 0.020 . . . . . . A 50 MET HB3 . 34057 1 420 . 1 . 1 50 50 MET HG2 H 1 2.754 0.020 . . . . . . A 50 MET HG2 . 34057 1 421 . 1 . 1 50 50 MET HG3 H 1 2.754 0.020 . . . . . . A 50 MET HG3 . 34057 1 422 . 1 . 1 50 50 MET HE1 H 1 2.071 0.020 . . . . . . A 50 MET HE1 . 34057 1 423 . 1 . 1 50 50 MET HE2 H 1 2.071 0.020 . . . . . . A 50 MET HE2 . 34057 1 424 . 1 . 1 50 50 MET HE3 H 1 2.071 0.020 . . . . . . A 50 MET HE3 . 34057 1 425 . 1 . 1 50 50 MET CA C 13 59.770 0.400 . . . . . . A 50 MET CA . 34057 1 426 . 1 . 1 50 50 MET CB C 13 31.995 0.400 . . . . . . A 50 MET CB . 34057 1 427 . 1 . 1 50 50 MET CG C 13 32.121 0.400 . . . . . . A 50 MET CG . 34057 1 428 . 1 . 1 50 50 MET CE C 13 16.194 0.400 . . . . . . A 50 MET CE . 34057 1 429 . 1 . 1 50 50 MET N N 15 127.442 0.400 . . . . . . A 50 MET N . 34057 1 430 . 1 . 1 51 51 PRO HA H 1 4.052 0.020 . . . . . . A 51 PRO HA . 34057 1 431 . 1 . 1 51 51 PRO HB2 H 1 0.119 0.020 . . . . . . A 51 PRO HB2 . 34057 1 432 . 1 . 1 51 51 PRO HB3 H 1 1.866 0.020 . . . . . . A 51 PRO HB3 . 34057 1 433 . 1 . 1 51 51 PRO HG2 H 1 1.598 0.020 . . . . . . A 51 PRO HG2 . 34057 1 434 . 1 . 1 51 51 PRO HG3 H 1 1.558 0.020 . . . . . . A 51 PRO HG3 . 34057 1 435 . 1 . 1 51 51 PRO HD2 H 1 2.835 0.020 . . . . . . A 51 PRO HD2 . 34057 1 436 . 1 . 1 51 51 PRO HD3 H 1 3.556 0.020 . . . . . . A 51 PRO HD3 . 34057 1 437 . 1 . 1 51 51 PRO CA C 13 65.796 0.400 . . . . . . A 51 PRO CA . 34057 1 438 . 1 . 1 51 51 PRO CB C 13 31.034 0.400 . . . . . . A 51 PRO CB . 34057 1 439 . 1 . 1 51 51 PRO CG C 13 27.901 0.400 . . . . . . A 51 PRO CG . 34057 1 440 . 1 . 1 51 51 PRO CD C 13 51.830 0.400 . . . . . . A 51 PRO CD . 34057 1 441 . 1 . 1 52 52 PHE H H 1 6.584 0.020 . . . . . . A 52 PHE H . 34057 1 442 . 1 . 1 52 52 PHE HA H 1 4.325 0.020 . . . . . . A 52 PHE HA . 34057 1 443 . 1 . 1 52 52 PHE HB2 H 1 3.386 0.020 . . . . . . A 52 PHE HB2 . 34057 1 444 . 1 . 1 52 52 PHE HB3 H 1 2.792 0.020 . . . . . . A 52 PHE HB3 . 34057 1 445 . 1 . 1 52 52 PHE HD1 H 1 7.232 0.020 . . . . . . A 52 PHE HD1 . 34057 1 446 . 1 . 1 52 52 PHE HD2 H 1 7.232 0.020 . . . . . . A 52 PHE HD2 . 34057 1 447 . 1 . 1 52 52 PHE HE1 H 1 7.125 0.020 . . . . . . A 52 PHE HE1 . 34057 1 448 . 1 . 1 52 52 PHE HE2 H 1 7.125 0.020 . . . . . . A 52 PHE HE2 . 34057 1 449 . 1 . 1 52 52 PHE HZ H 1 7.018 0.020 . . . . . . A 52 PHE HZ . 34057 1 450 . 1 . 1 52 52 PHE CA C 13 58.409 0.400 . . . . . . A 52 PHE CA . 34057 1 451 . 1 . 1 52 52 PHE CB C 13 38.550 0.400 . . . . . . A 52 PHE CB . 34057 1 452 . 1 . 1 52 52 PHE CD1 C 13 130.978 0.400 . . . . . . A 52 PHE CD1 . 34057 1 453 . 1 . 1 52 52 PHE CE1 C 13 131.844 0.400 . . . . . . A 52 PHE CE1 . 34057 1 454 . 1 . 1 52 52 PHE CZ C 13 130.045 0.400 . . . . . . A 52 PHE CZ . 34057 1 455 . 1 . 1 52 52 PHE N N 15 110.021 0.400 . . . . . . A 52 PHE N . 34057 1 456 . 1 . 1 53 53 GLY H H 1 7.659 0.020 . . . . . . A 53 GLY H . 34057 1 457 . 1 . 1 53 53 GLY HA2 H 1 4.179 0.020 . . . . . . A 53 GLY HA2 . 34057 1 458 . 1 . 1 53 53 GLY HA3 H 1 3.892 0.020 . . . . . . A 53 GLY HA3 . 34057 1 459 . 1 . 1 53 53 GLY CA C 13 44.976 0.400 . . . . . . A 53 GLY CA . 34057 1 460 . 1 . 1 53 53 GLY N N 15 105.692 0.400 . . . . . . A 53 GLY N . 34057 1 461 . 1 . 1 54 54 ASN H H 1 9.024 0.020 . . . . . . A 54 ASN H . 34057 1 462 . 1 . 1 54 54 ASN HA H 1 4.673 0.020 . . . . . . A 54 ASN HA . 34057 1 463 . 1 . 1 54 54 ASN HB2 H 1 2.782 0.020 . . . . . . A 54 ASN HB2 . 34057 1 464 . 1 . 1 54 54 ASN HB3 H 1 2.782 0.020 . . . . . . A 54 ASN HB3 . 34057 1 465 . 1 . 1 54 54 ASN HD21 H 1 6.876 0.020 . . . . . . A 54 ASN HD21 . 34057 1 466 . 1 . 1 54 54 ASN HD22 H 1 7.908 0.020 . . . . . . A 54 ASN HD22 . 34057 1 467 . 1 . 1 54 54 ASN CA C 13 53.018 0.400 . . . . . . A 54 ASN CA . 34057 1 468 . 1 . 1 54 54 ASN CB C 13 37.617 0.400 . . . . . . A 54 ASN CB . 34057 1 469 . 1 . 1 54 54 ASN N N 15 117.257 0.400 . . . . . . A 54 ASN N . 34057 1 470 . 1 . 1 54 54 ASN ND2 N 15 113.819 0.400 . . . . . . A 54 ASN ND2 . 34057 1 471 . 1 . 1 55 55 VAL H H 1 8.244 0.020 . . . . . . A 55 VAL H . 34057 1 472 . 1 . 1 55 55 VAL HA H 1 3.802 0.020 . . . . . . A 55 VAL HA . 34057 1 473 . 1 . 1 55 55 VAL HB H 1 1.831 0.020 . . . . . . A 55 VAL HB . 34057 1 474 . 1 . 1 55 55 VAL HG11 H 1 0.678 0.020 . . . . . . A 55 VAL HG11 . 34057 1 475 . 1 . 1 55 55 VAL HG12 H 1 0.678 0.020 . . . . . . A 55 VAL HG12 . 34057 1 476 . 1 . 1 55 55 VAL HG13 H 1 0.678 0.020 . . . . . . A 55 VAL HG13 . 34057 1 477 . 1 . 1 55 55 VAL HG21 H 1 0.577 0.020 . . . . . . A 55 VAL HG21 . 34057 1 478 . 1 . 1 55 55 VAL HG22 H 1 0.577 0.020 . . . . . . A 55 VAL HG22 . 34057 1 479 . 1 . 1 55 55 VAL HG23 H 1 0.577 0.020 . . . . . . A 55 VAL HG23 . 34057 1 480 . 1 . 1 55 55 VAL CA C 13 62.578 0.400 . . . . . . A 55 VAL CA . 34057 1 481 . 1 . 1 55 55 VAL CB C 13 32.309 0.400 . . . . . . A 55 VAL CB . 34057 1 482 . 1 . 1 55 55 VAL CG1 C 13 22.546 0.400 . . . . . . A 55 VAL CG1 . 34057 1 483 . 1 . 1 55 55 VAL CG2 C 13 22.924 0.400 . . . . . . A 55 VAL CG2 . 34057 1 484 . 1 . 1 55 55 VAL N N 15 127.620 0.400 . . . . . . A 55 VAL N . 34057 1 485 . 1 . 1 56 56 ILE H H 1 8.793 0.020 . . . . . . A 56 ILE H . 34057 1 486 . 1 . 1 56 56 ILE HA H 1 4.035 0.020 . . . . . . A 56 ILE HA . 34057 1 487 . 1 . 1 56 56 ILE HB H 1 1.702 0.020 . . . . . . A 56 ILE HB . 34057 1 488 . 1 . 1 56 56 ILE HG12 H 1 0.735 0.020 . . . . . . A 56 ILE HG12 . 34057 1 489 . 1 . 1 56 56 ILE HG13 H 1 1.178 0.020 . . . . . . A 56 ILE HG13 . 34057 1 490 . 1 . 1 56 56 ILE HG21 H 1 0.699 0.020 . . . . . . A 56 ILE HG21 . 34057 1 491 . 1 . 1 56 56 ILE HG22 H 1 0.699 0.020 . . . . . . A 56 ILE HG22 . 34057 1 492 . 1 . 1 56 56 ILE HG23 H 1 0.699 0.020 . . . . . . A 56 ILE HG23 . 34057 1 493 . 1 . 1 56 56 ILE HD11 H 1 0.586 0.020 . . . . . . A 56 ILE HD11 . 34057 1 494 . 1 . 1 56 56 ILE HD12 H 1 0.586 0.020 . . . . . . A 56 ILE HD12 . 34057 1 495 . 1 . 1 56 56 ILE HD13 H 1 0.586 0.020 . . . . . . A 56 ILE HD13 . 34057 1 496 . 1 . 1 56 56 ILE CA C 13 62.597 0.400 . . . . . . A 56 ILE CA . 34057 1 497 . 1 . 1 56 56 ILE CB C 13 37.996 0.400 . . . . . . A 56 ILE CB . 34057 1 498 . 1 . 1 56 56 ILE CG1 C 13 27.075 0.400 . . . . . . A 56 ILE CG1 . 34057 1 499 . 1 . 1 56 56 ILE CG2 C 13 17.317 0.400 . . . . . . A 56 ILE CG2 . 34057 1 500 . 1 . 1 56 56 ILE CD1 C 13 13.101 0.400 . . . . . . A 56 ILE CD1 . 34057 1 501 . 1 . 1 56 56 ILE N N 15 127.314 0.400 . . . . . . A 56 ILE N . 34057 1 502 . 1 . 1 57 57 SER H H 1 7.276 0.020 . . . . . . A 57 SER H . 34057 1 503 . 1 . 1 57 57 SER HA H 1 4.503 0.020 . . . . . . A 57 SER HA . 34057 1 504 . 1 . 1 57 57 SER HB2 H 1 3.703 0.020 . . . . . . A 57 SER HB2 . 34057 1 505 . 1 . 1 57 57 SER HB3 H 1 3.768 0.020 . . . . . . A 57 SER HB3 . 34057 1 506 . 1 . 1 57 57 SER CA C 13 57.993 0.400 . . . . . . A 57 SER CA . 34057 1 507 . 1 . 1 57 57 SER CB C 13 65.559 0.400 . . . . . . A 57 SER CB . 34057 1 508 . 1 . 1 57 57 SER N N 15 113.806 0.400 . . . . . . A 57 SER N . 34057 1 509 . 1 . 1 58 58 ALA H H 1 8.069 0.020 . . . . . . A 58 ALA H . 34057 1 510 . 1 . 1 58 58 ALA HA H 1 4.979 0.020 . . . . . . A 58 ALA HA . 34057 1 511 . 1 . 1 58 58 ALA HB1 H 1 1.124 0.020 . . . . . . A 58 ALA HB1 . 34057 1 512 . 1 . 1 58 58 ALA HB2 H 1 1.124 0.020 . . . . . . A 58 ALA HB2 . 34057 1 513 . 1 . 1 58 58 ALA HB3 H 1 1.124 0.020 . . . . . . A 58 ALA HB3 . 34057 1 514 . 1 . 1 58 58 ALA CA C 13 51.734 0.400 . . . . . . A 58 ALA CA . 34057 1 515 . 1 . 1 58 58 ALA CB C 13 21.351 0.400 . . . . . . A 58 ALA CB . 34057 1 516 . 1 . 1 58 58 ALA N N 15 125.579 0.400 . . . . . . A 58 ALA N . 34057 1 517 . 1 . 1 59 59 LYS H H 1 8.536 0.020 . . . . . . A 59 LYS H . 34057 1 518 . 1 . 1 59 59 LYS HA H 1 4.529 0.020 . . . . . . A 59 LYS HA . 34057 1 519 . 1 . 1 59 59 LYS HB2 H 1 1.420 0.020 . . . . . . A 59 LYS HB2 . 34057 1 520 . 1 . 1 59 59 LYS HB3 H 1 1.420 0.020 . . . . . . A 59 LYS HB3 . 34057 1 521 . 1 . 1 59 59 LYS HG2 H 1 1.025 0.020 . . . . . . A 59 LYS HG2 . 34057 1 522 . 1 . 1 59 59 LYS HG3 H 1 0.925 0.020 . . . . . . A 59 LYS HG3 . 34057 1 523 . 1 . 1 59 59 LYS HD2 H 1 1.541 0.020 . . . . . . A 59 LYS HD2 . 34057 1 524 . 1 . 1 59 59 LYS HD3 H 1 1.635 0.020 . . . . . . A 59 LYS HD3 . 34057 1 525 . 1 . 1 59 59 LYS HE2 H 1 2.810 0.020 . . . . . . A 59 LYS HE2 . 34057 1 526 . 1 . 1 59 59 LYS HE3 H 1 2.787 0.020 . . . . . . A 59 LYS HE3 . 34057 1 527 . 1 . 1 59 59 LYS CA C 13 54.218 0.400 . . . . . . A 59 LYS CA . 34057 1 528 . 1 . 1 59 59 LYS CB C 13 36.778 0.400 . . . . . . A 59 LYS CB . 34057 1 529 . 1 . 1 59 59 LYS CG C 13 23.864 0.400 . . . . . . A 59 LYS CG . 34057 1 530 . 1 . 1 59 59 LYS CD C 13 28.323 0.400 . . . . . . A 59 LYS CD . 34057 1 531 . 1 . 1 59 59 LYS CE C 13 41.939 0.400 . . . . . . A 59 LYS CE . 34057 1 532 . 1 . 1 59 59 LYS N N 15 121.198 0.400 . . . . . . A 59 LYS N . 34057 1 533 . 1 . 1 60 60 VAL H H 1 8.420 0.020 . . . . . . A 60 VAL H . 34057 1 534 . 1 . 1 60 60 VAL HA H 1 3.979 0.020 . . . . . . A 60 VAL HA . 34057 1 535 . 1 . 1 60 60 VAL HB H 1 1.804 0.020 . . . . . . A 60 VAL HB . 34057 1 536 . 1 . 1 60 60 VAL HG11 H 1 0.704 0.020 . . . . . . A 60 VAL HG11 . 34057 1 537 . 1 . 1 60 60 VAL HG12 H 1 0.704 0.020 . . . . . . A 60 VAL HG12 . 34057 1 538 . 1 . 1 60 60 VAL HG13 H 1 0.704 0.020 . . . . . . A 60 VAL HG13 . 34057 1 539 . 1 . 1 60 60 VAL HG21 H 1 0.861 0.020 . . . . . . A 60 VAL HG21 . 34057 1 540 . 1 . 1 60 60 VAL HG22 H 1 0.861 0.020 . . . . . . A 60 VAL HG22 . 34057 1 541 . 1 . 1 60 60 VAL HG23 H 1 0.861 0.020 . . . . . . A 60 VAL HG23 . 34057 1 542 . 1 . 1 60 60 VAL CA C 13 62.278 0.400 . . . . . . A 60 VAL CA . 34057 1 543 . 1 . 1 60 60 VAL CB C 13 33.117 0.400 . . . . . . A 60 VAL CB . 34057 1 544 . 1 . 1 60 60 VAL CG1 C 13 22.535 0.400 . . . . . . A 60 VAL CG1 . 34057 1 545 . 1 . 1 60 60 VAL CG2 C 13 21.298 0.400 . . . . . . A 60 VAL CG2 . 34057 1 546 . 1 . 1 60 60 VAL N N 15 122.862 0.400 . . . . . . A 60 VAL N . 34057 1 547 . 1 . 1 61 61 PHE H H 1 8.245 0.020 . . . . . . A 61 PHE H . 34057 1 548 . 1 . 1 61 61 PHE HA H 1 4.394 0.020 . . . . . . A 61 PHE HA . 34057 1 549 . 1 . 1 61 61 PHE HB2 H 1 1.983 0.020 . . . . . . A 61 PHE HB2 . 34057 1 550 . 1 . 1 61 61 PHE HB3 H 1 2.504 0.020 . . . . . . A 61 PHE HB3 . 34057 1 551 . 1 . 1 61 61 PHE HD1 H 1 6.633 0.020 . . . . . . A 61 PHE HD1 . 34057 1 552 . 1 . 1 61 61 PHE HD2 H 1 6.633 0.020 . . . . . . A 61 PHE HD2 . 34057 1 553 . 1 . 1 61 61 PHE HE1 H 1 7.027 0.020 . . . . . . A 61 PHE HE1 . 34057 1 554 . 1 . 1 61 61 PHE HE2 H 1 7.027 0.020 . . . . . . A 61 PHE HE2 . 34057 1 555 . 1 . 1 61 61 PHE CA C 13 58.888 0.400 . . . . . . A 61 PHE CA . 34057 1 556 . 1 . 1 61 61 PHE CB C 13 39.201 0.400 . . . . . . A 61 PHE CB . 34057 1 557 . 1 . 1 61 61 PHE CD1 C 13 131.722 0.400 . . . . . . A 61 PHE CD1 . 34057 1 558 . 1 . 1 61 61 PHE CE1 C 13 130.672 0.400 . . . . . . A 61 PHE CE1 . 34057 1 559 . 1 . 1 61 61 PHE N N 15 126.955 0.400 . . . . . . A 61 PHE N . 34057 1 560 . 1 . 1 62 62 ILE H H 1 8.284 0.020 . . . . . . A 62 ILE H . 34057 1 561 . 1 . 1 62 62 ILE HA H 1 4.442 0.020 . . . . . . A 62 ILE HA . 34057 1 562 . 1 . 1 62 62 ILE HB H 1 1.674 0.020 . . . . . . A 62 ILE HB . 34057 1 563 . 1 . 1 62 62 ILE HG12 H 1 1.259 0.020 . . . . . . A 62 ILE HG12 . 34057 1 564 . 1 . 1 62 62 ILE HG13 H 1 1.311 0.020 . . . . . . A 62 ILE HG13 . 34057 1 565 . 1 . 1 62 62 ILE HG21 H 1 0.678 0.020 . . . . . . A 62 ILE HG21 . 34057 1 566 . 1 . 1 62 62 ILE HG22 H 1 0.678 0.020 . . . . . . A 62 ILE HG22 . 34057 1 567 . 1 . 1 62 62 ILE HG23 H 1 0.678 0.020 . . . . . . A 62 ILE HG23 . 34057 1 568 . 1 . 1 62 62 ILE HD11 H 1 0.704 0.020 . . . . . . A 62 ILE HD11 . 34057 1 569 . 1 . 1 62 62 ILE HD12 H 1 0.704 0.020 . . . . . . A 62 ILE HD12 . 34057 1 570 . 1 . 1 62 62 ILE HD13 H 1 0.704 0.020 . . . . . . A 62 ILE HD13 . 34057 1 571 . 1 . 1 62 62 ILE CA C 13 58.550 0.400 . . . . . . A 62 ILE CA . 34057 1 572 . 1 . 1 62 62 ILE CB C 13 40.136 0.400 . . . . . . A 62 ILE CB . 34057 1 573 . 1 . 1 62 62 ILE CG1 C 13 26.770 0.400 . . . . . . A 62 ILE CG1 . 34057 1 574 . 1 . 1 62 62 ILE CG2 C 13 16.828 0.400 . . . . . . A 62 ILE CG2 . 34057 1 575 . 1 . 1 62 62 ILE CD1 C 13 11.335 0.400 . . . . . . A 62 ILE CD1 . 34057 1 576 . 1 . 1 62 62 ILE N N 15 122.066 0.400 . . . . . . A 62 ILE N . 34057 1 577 . 1 . 1 63 63 ASP H H 1 8.683 0.020 . . . . . . A 63 ASP H . 34057 1 578 . 1 . 1 63 63 ASP HA H 1 4.627 0.020 . . . . . . A 63 ASP HA . 34057 1 579 . 1 . 1 63 63 ASP HB2 H 1 2.455 0.020 . . . . . . A 63 ASP HB2 . 34057 1 580 . 1 . 1 63 63 ASP HB3 H 1 3.294 0.020 . . . . . . A 63 ASP HB3 . 34057 1 581 . 1 . 1 63 63 ASP CA C 13 54.257 0.400 . . . . . . A 63 ASP CA . 34057 1 582 . 1 . 1 63 63 ASP CB C 13 42.681 0.400 . . . . . . A 63 ASP CB . 34057 1 583 . 1 . 1 63 63 ASP N N 15 126.201 0.400 . . . . . . A 63 ASP N . 34057 1 584 . 1 . 1 64 64 LYS H H 1 8.889 0.020 . . . . . . A 64 LYS H . 34057 1 585 . 1 . 1 64 64 LYS HA H 1 4.067 0.020 . . . . . . A 64 LYS HA . 34057 1 586 . 1 . 1 64 64 LYS HB2 H 1 1.865 0.020 . . . . . . A 64 LYS HB2 . 34057 1 587 . 1 . 1 64 64 LYS HB3 H 1 1.865 0.020 . . . . . . A 64 LYS HB3 . 34057 1 588 . 1 . 1 64 64 LYS HG2 H 1 1.491 0.020 . . . . . . A 64 LYS HG2 . 34057 1 589 . 1 . 1 64 64 LYS HG3 H 1 1.491 0.020 . . . . . . A 64 LYS HG3 . 34057 1 590 . 1 . 1 64 64 LYS HD2 H 1 1.677 0.020 . . . . . . A 64 LYS HD2 . 34057 1 591 . 1 . 1 64 64 LYS HD3 H 1 1.677 0.020 . . . . . . A 64 LYS HD3 . 34057 1 592 . 1 . 1 64 64 LYS HE2 H 1 2.974 0.020 . . . . . . A 64 LYS HE2 . 34057 1 593 . 1 . 1 64 64 LYS HE3 H 1 2.974 0.020 . . . . . . A 64 LYS HE3 . 34057 1 594 . 1 . 1 64 64 LYS CA C 13 58.117 0.400 . . . . . . A 64 LYS CA . 34057 1 595 . 1 . 1 64 64 LYS CB C 13 32.323 0.400 . . . . . . A 64 LYS CB . 34057 1 596 . 1 . 1 64 64 LYS CG C 13 24.969 0.400 . . . . . . A 64 LYS CG . 34057 1 597 . 1 . 1 64 64 LYS CD C 13 29.015 0.400 . . . . . . A 64 LYS CD . 34057 1 598 . 1 . 1 64 64 LYS CE C 13 42.083 0.400 . . . . . . A 64 LYS CE . 34057 1 599 . 1 . 1 64 64 LYS N N 15 127.330 0.400 . . . . . . A 64 LYS N . 34057 1 600 . 1 . 1 65 65 GLN H H 1 8.691 0.020 . . . . . . A 65 GLN H . 34057 1 601 . 1 . 1 65 65 GLN HA H 1 4.272 0.020 . . . . . . A 65 GLN HA . 34057 1 602 . 1 . 1 65 65 GLN HB2 H 1 2.248 0.020 . . . . . . A 65 GLN HB2 . 34057 1 603 . 1 . 1 65 65 GLN HB3 H 1 2.185 0.020 . . . . . . A 65 GLN HB3 . 34057 1 604 . 1 . 1 65 65 GLN HG2 H 1 2.356 0.020 . . . . . . A 65 GLN HG2 . 34057 1 605 . 1 . 1 65 65 GLN HG3 H 1 2.428 0.020 . . . . . . A 65 GLN HG3 . 34057 1 606 . 1 . 1 65 65 GLN HE21 H 1 6.870 0.020 . . . . . . A 65 GLN HE21 . 34057 1 607 . 1 . 1 65 65 GLN HE22 H 1 7.640 0.020 . . . . . . A 65 GLN HE22 . 34057 1 608 . 1 . 1 65 65 GLN CA C 13 58.281 0.400 . . . . . . A 65 GLN CA . 34057 1 609 . 1 . 1 65 65 GLN CB C 13 29.279 0.400 . . . . . . A 65 GLN CB . 34057 1 610 . 1 . 1 65 65 GLN CG C 13 34.443 0.400 . . . . . . A 65 GLN CG . 34057 1 611 . 1 . 1 65 65 GLN N N 15 116.945 0.400 . . . . . . A 65 GLN N . 34057 1 612 . 1 . 1 65 65 GLN NE2 N 15 112.179 0.400 . . . . . . A 65 GLN NE2 . 34057 1 613 . 1 . 1 66 66 THR H H 1 7.792 0.020 . . . . . . A 66 THR H . 34057 1 614 . 1 . 1 66 66 THR HA H 1 4.302 0.020 . . . . . . A 66 THR HA . 34057 1 615 . 1 . 1 66 66 THR HB H 1 4.302 0.020 . . . . . . A 66 THR HB . 34057 1 616 . 1 . 1 66 66 THR HG21 H 1 1.178 0.020 . . . . . . A 66 THR HG21 . 34057 1 617 . 1 . 1 66 66 THR HG22 H 1 1.178 0.020 . . . . . . A 66 THR HG22 . 34057 1 618 . 1 . 1 66 66 THR HG23 H 1 1.178 0.020 . . . . . . A 66 THR HG23 . 34057 1 619 . 1 . 1 66 66 THR CA C 13 61.830 0.400 . . . . . . A 66 THR CA . 34057 1 620 . 1 . 1 66 66 THR CB C 13 71.024 0.400 . . . . . . A 66 THR CB . 34057 1 621 . 1 . 1 66 66 THR CG2 C 13 21.389 0.400 . . . . . . A 66 THR CG2 . 34057 1 622 . 1 . 1 66 66 THR N N 15 106.970 0.400 . . . . . . A 66 THR N . 34057 1 623 . 1 . 1 67 67 ASN H H 1 8.493 0.020 . . . . . . A 67 ASN H . 34057 1 624 . 1 . 1 67 67 ASN HA H 1 4.275 0.020 . . . . . . A 67 ASN HA . 34057 1 625 . 1 . 1 67 67 ASN HB2 H 1 2.823 0.020 . . . . . . A 67 ASN HB2 . 34057 1 626 . 1 . 1 67 67 ASN HB3 H 1 3.095 0.020 . . . . . . A 67 ASN HB3 . 34057 1 627 . 1 . 1 67 67 ASN HD21 H 1 6.740 0.020 . . . . . . A 67 ASN HD21 . 34057 1 628 . 1 . 1 67 67 ASN HD22 H 1 7.452 0.020 . . . . . . A 67 ASN HD22 . 34057 1 629 . 1 . 1 67 67 ASN CA C 13 55.231 0.400 . . . . . . A 67 ASN CA . 34057 1 630 . 1 . 1 67 67 ASN CB C 13 38.084 0.400 . . . . . . A 67 ASN CB . 34057 1 631 . 1 . 1 67 67 ASN N N 15 116.787 0.400 . . . . . . A 67 ASN N . 34057 1 632 . 1 . 1 67 67 ASN ND2 N 15 112.142 0.400 . . . . . . A 67 ASN ND2 . 34057 1 633 . 1 . 1 68 68 LEU H H 1 7.609 0.020 . . . . . . A 68 LEU H . 34057 1 634 . 1 . 1 68 68 LEU HA H 1 4.619 0.020 . . . . . . A 68 LEU HA . 34057 1 635 . 1 . 1 68 68 LEU HB2 H 1 1.414 0.020 . . . . . . A 68 LEU HB2 . 34057 1 636 . 1 . 1 68 68 LEU HB3 H 1 1.689 0.020 . . . . . . A 68 LEU HB3 . 34057 1 637 . 1 . 1 68 68 LEU HG H 1 1.571 0.020 . . . . . . A 68 LEU HG . 34057 1 638 . 1 . 1 68 68 LEU HD11 H 1 0.883 0.020 . . . . . . A 68 LEU HD11 . 34057 1 639 . 1 . 1 68 68 LEU HD12 H 1 0.883 0.020 . . . . . . A 68 LEU HD12 . 34057 1 640 . 1 . 1 68 68 LEU HD13 H 1 0.883 0.020 . . . . . . A 68 LEU HD13 . 34057 1 641 . 1 . 1 68 68 LEU HD21 H 1 0.859 0.020 . . . . . . A 68 LEU HD21 . 34057 1 642 . 1 . 1 68 68 LEU HD22 H 1 0.859 0.020 . . . . . . A 68 LEU HD22 . 34057 1 643 . 1 . 1 68 68 LEU HD23 H 1 0.859 0.020 . . . . . . A 68 LEU HD23 . 34057 1 644 . 1 . 1 68 68 LEU CA C 13 53.845 0.400 . . . . . . A 68 LEU CA . 34057 1 645 . 1 . 1 68 68 LEU CB C 13 44.162 0.400 . . . . . . A 68 LEU CB . 34057 1 646 . 1 . 1 68 68 LEU CG C 13 26.307 0.400 . . . . . . A 68 LEU CG . 34057 1 647 . 1 . 1 68 68 LEU CD1 C 13 25.128 0.400 . . . . . . A 68 LEU CD1 . 34057 1 648 . 1 . 1 68 68 LEU CD2 C 13 22.916 0.400 . . . . . . A 68 LEU CD2 . 34057 1 649 . 1 . 1 68 68 LEU N N 15 117.686 0.400 . . . . . . A 68 LEU N . 34057 1 650 . 1 . 1 69 69 SER H H 1 8.716 0.020 . . . . . . A 69 SER H . 34057 1 651 . 1 . 1 69 69 SER HA H 1 4.486 0.020 . . . . . . A 69 SER HA . 34057 1 652 . 1 . 1 69 69 SER HB2 H 1 3.980 0.020 . . . . . . A 69 SER HB2 . 34057 1 653 . 1 . 1 69 69 SER HB3 H 1 4.103 0.020 . . . . . . A 69 SER HB3 . 34057 1 654 . 1 . 1 69 69 SER CA C 13 58.465 0.400 . . . . . . A 69 SER CA . 34057 1 655 . 1 . 1 69 69 SER CB C 13 63.985 0.400 . . . . . . A 69 SER CB . 34057 1 656 . 1 . 1 69 69 SER N N 15 114.932 0.400 . . . . . . A 69 SER N . 34057 1 657 . 1 . 1 70 70 LYS H H 1 9.156 0.020 . . . . . . A 70 LYS H . 34057 1 658 . 1 . 1 70 70 LYS HA H 1 4.118 0.020 . . . . . . A 70 LYS HA . 34057 1 659 . 1 . 1 70 70 LYS HB2 H 1 1.119 0.020 . . . . . . A 70 LYS HB2 . 34057 1 660 . 1 . 1 70 70 LYS HB3 H 1 2.240 0.020 . . . . . . A 70 LYS HB3 . 34057 1 661 . 1 . 1 70 70 LYS HG2 H 1 1.521 0.020 . . . . . . A 70 LYS HG2 . 34057 1 662 . 1 . 1 70 70 LYS HG3 H 1 1.521 0.020 . . . . . . A 70 LYS HG3 . 34057 1 663 . 1 . 1 70 70 LYS HD2 H 1 1.830 0.020 . . . . . . A 70 LYS HD2 . 34057 1 664 . 1 . 1 70 70 LYS HD3 H 1 1.746 0.020 . . . . . . A 70 LYS HD3 . 34057 1 665 . 1 . 1 70 70 LYS HE2 H 1 3.080 0.020 . . . . . . A 70 LYS HE2 . 34057 1 666 . 1 . 1 70 70 LYS HE3 H 1 3.080 0.020 . . . . . . A 70 LYS HE3 . 34057 1 667 . 1 . 1 70 70 LYS CA C 13 56.917 0.400 . . . . . . A 70 LYS CA . 34057 1 668 . 1 . 1 70 70 LYS CB C 13 32.791 0.400 . . . . . . A 70 LYS CB . 34057 1 669 . 1 . 1 70 70 LYS CG C 13 26.142 0.400 . . . . . . A 70 LYS CG . 34057 1 670 . 1 . 1 70 70 LYS CD C 13 29.420 0.400 . . . . . . A 70 LYS CD . 34057 1 671 . 1 . 1 70 70 LYS CE C 13 42.053 0.400 . . . . . . A 70 LYS CE . 34057 1 672 . 1 . 1 70 70 LYS N N 15 125.200 0.400 . . . . . . A 70 LYS N . 34057 1 673 . 1 . 1 71 71 CYS H H 1 10.095 0.020 . . . . . . A 71 CYS H . 34057 1 674 . 1 . 1 71 71 CYS HB2 H 1 3.518 0.020 . . . . . . A 71 CYS HB2 . 34057 1 675 . 1 . 1 71 71 CYS HB3 H 1 3.518 0.020 . . . . . . A 71 CYS HB3 . 34057 1 676 . 1 . 1 71 71 CYS CB C 13 24.999 0.400 . . . . . . A 71 CYS CB . 34057 1 677 . 1 . 1 71 71 CYS N N 15 111.895 0.400 . . . . . . A 71 CYS N . 34057 1 678 . 1 . 1 72 72 PHE H H 1 7.540 0.020 . . . . . . A 72 PHE H . 34057 1 679 . 1 . 1 72 72 PHE HA H 1 5.334 0.020 . . . . . . A 72 PHE HA . 34057 1 680 . 1 . 1 72 72 PHE HB2 H 1 3.146 0.020 . . . . . . A 72 PHE HB2 . 34057 1 681 . 1 . 1 72 72 PHE HB3 H 1 3.219 0.020 . . . . . . A 72 PHE HB3 . 34057 1 682 . 1 . 1 72 72 PHE HD1 H 1 6.915 0.020 . . . . . . A 72 PHE HD1 . 34057 1 683 . 1 . 1 72 72 PHE HD2 H 1 6.915 0.020 . . . . . . A 72 PHE HD2 . 34057 1 684 . 1 . 1 72 72 PHE HE1 H 1 6.855 0.020 . . . . . . A 72 PHE HE1 . 34057 1 685 . 1 . 1 72 72 PHE HE2 H 1 6.855 0.020 . . . . . . A 72 PHE HE2 . 34057 1 686 . 1 . 1 72 72 PHE HZ H 1 6.735 0.020 . . . . . . A 72 PHE HZ . 34057 1 687 . 1 . 1 72 72 PHE CA C 13 55.415 0.400 . . . . . . A 72 PHE CA . 34057 1 688 . 1 . 1 72 72 PHE CB C 13 42.543 0.400 . . . . . . A 72 PHE CB . 34057 1 689 . 1 . 1 72 72 PHE CD1 C 13 132.556 0.400 . . . . . . A 72 PHE CD1 . 34057 1 690 . 1 . 1 72 72 PHE CE1 C 13 131.090 0.400 . . . . . . A 72 PHE CE1 . 34057 1 691 . 1 . 1 72 72 PHE CZ C 13 129.528 0.400 . . . . . . A 72 PHE CZ . 34057 1 692 . 1 . 1 72 72 PHE N N 15 113.933 0.400 . . . . . . A 72 PHE N . 34057 1 693 . 1 . 1 73 73 GLY H H 1 9.120 0.020 . . . . . . A 73 GLY H . 34057 1 694 . 1 . 1 73 73 GLY HA2 H 1 4.269 0.020 . . . . . . A 73 GLY HA2 . 34057 1 695 . 1 . 1 73 73 GLY HA3 H 1 3.687 0.020 . . . . . . A 73 GLY HA3 . 34057 1 696 . 1 . 1 73 73 GLY CA C 13 45.709 0.400 . . . . . . A 73 GLY CA . 34057 1 697 . 1 . 1 73 73 GLY N N 15 107.194 0.400 . . . . . . A 73 GLY N . 34057 1 698 . 1 . 1 74 74 PHE H H 1 8.603 0.020 . . . . . . A 74 PHE H . 34057 1 699 . 1 . 1 74 74 PHE HA H 1 5.388 0.020 . . . . . . A 74 PHE HA . 34057 1 700 . 1 . 1 74 74 PHE HB2 H 1 2.713 0.020 . . . . . . A 74 PHE HB2 . 34057 1 701 . 1 . 1 74 74 PHE HB3 H 1 2.675 0.020 . . . . . . A 74 PHE HB3 . 34057 1 702 . 1 . 1 74 74 PHE HD1 H 1 6.660 0.020 . . . . . . A 74 PHE HD1 . 34057 1 703 . 1 . 1 74 74 PHE HD2 H 1 6.660 0.020 . . . . . . A 74 PHE HD2 . 34057 1 704 . 1 . 1 74 74 PHE HE1 H 1 6.912 0.020 . . . . . . A 74 PHE HE1 . 34057 1 705 . 1 . 1 74 74 PHE HE2 H 1 6.912 0.020 . . . . . . A 74 PHE HE2 . 34057 1 706 . 1 . 1 74 74 PHE HZ H 1 7.034 0.020 . . . . . . A 74 PHE HZ . 34057 1 707 . 1 . 1 74 74 PHE CA C 13 55.676 0.400 . . . . . . A 74 PHE CA . 34057 1 708 . 1 . 1 74 74 PHE CB C 13 44.014 0.400 . . . . . . A 74 PHE CB . 34057 1 709 . 1 . 1 74 74 PHE CD1 C 13 131.873 0.400 . . . . . . A 74 PHE CD1 . 34057 1 710 . 1 . 1 74 74 PHE CE1 C 13 130.684 0.400 . . . . . . A 74 PHE CE1 . 34057 1 711 . 1 . 1 74 74 PHE CZ C 13 129.227 0.400 . . . . . . A 74 PHE CZ . 34057 1 712 . 1 . 1 74 74 PHE N N 15 118.584 0.400 . . . . . . A 74 PHE N . 34057 1 713 . 1 . 1 75 75 VAL H H 1 7.833 0.020 . . . . . . A 75 VAL H . 34057 1 714 . 1 . 1 75 75 VAL HA H 1 4.375 0.020 . . . . . . A 75 VAL HA . 34057 1 715 . 1 . 1 75 75 VAL HB H 1 1.036 0.020 . . . . . . A 75 VAL HB . 34057 1 716 . 1 . 1 75 75 VAL HG11 H 1 0.167 0.020 . . . . . . A 75 VAL HG11 . 34057 1 717 . 1 . 1 75 75 VAL HG12 H 1 0.167 0.020 . . . . . . A 75 VAL HG12 . 34057 1 718 . 1 . 1 75 75 VAL HG13 H 1 0.167 0.020 . . . . . . A 75 VAL HG13 . 34057 1 719 . 1 . 1 75 75 VAL HG21 H 1 0.172 0.020 . . . . . . A 75 VAL HG21 . 34057 1 720 . 1 . 1 75 75 VAL HG22 H 1 0.172 0.020 . . . . . . A 75 VAL HG22 . 34057 1 721 . 1 . 1 75 75 VAL HG23 H 1 0.172 0.020 . . . . . . A 75 VAL HG23 . 34057 1 722 . 1 . 1 75 75 VAL CA C 13 60.625 0.400 . . . . . . A 75 VAL CA . 34057 1 723 . 1 . 1 75 75 VAL CB C 13 36.657 0.400 . . . . . . A 75 VAL CB . 34057 1 724 . 1 . 1 75 75 VAL CG1 C 13 21.940 0.400 . . . . . . A 75 VAL CG1 . 34057 1 725 . 1 . 1 75 75 VAL CG2 C 13 21.057 0.400 . . . . . . A 75 VAL CG2 . 34057 1 726 . 1 . 1 75 75 VAL N N 15 122.590 0.400 . . . . . . A 75 VAL N . 34057 1 727 . 1 . 1 76 76 SER H H 1 8.600 0.020 . . . . . . A 76 SER H . 34057 1 728 . 1 . 1 76 76 SER HA H 1 5.246 0.020 . . . . . . A 76 SER HA . 34057 1 729 . 1 . 1 76 76 SER HB2 H 1 3.657 0.020 . . . . . . A 76 SER HB2 . 34057 1 730 . 1 . 1 76 76 SER HB3 H 1 3.948 0.020 . . . . . . A 76 SER HB3 . 34057 1 731 . 1 . 1 76 76 SER CA C 13 56.434 0.400 . . . . . . A 76 SER CA . 34057 1 732 . 1 . 1 76 76 SER CB C 13 66.759 0.400 . . . . . . A 76 SER CB . 34057 1 733 . 1 . 1 76 76 SER N N 15 119.927 0.400 . . . . . . A 76 SER N . 34057 1 734 . 1 . 1 77 77 TYR H H 1 8.420 0.020 . . . . . . A 77 TYR H . 34057 1 735 . 1 . 1 77 77 TYR HA H 1 5.454 0.020 . . . . . . A 77 TYR HA . 34057 1 736 . 1 . 1 77 77 TYR HB2 H 1 3.387 0.020 . . . . . . A 77 TYR HB2 . 34057 1 737 . 1 . 1 77 77 TYR HB3 H 1 2.842 0.020 . . . . . . A 77 TYR HB3 . 34057 1 738 . 1 . 1 77 77 TYR HD1 H 1 6.742 0.020 . . . . . . A 77 TYR HD1 . 34057 1 739 . 1 . 1 77 77 TYR HD2 H 1 6.742 0.020 . . . . . . A 77 TYR HD2 . 34057 1 740 . 1 . 1 77 77 TYR HE1 H 1 6.492 0.020 . . . . . . A 77 TYR HE1 . 34057 1 741 . 1 . 1 77 77 TYR HE2 H 1 6.492 0.020 . . . . . . A 77 TYR HE2 . 34057 1 742 . 1 . 1 77 77 TYR CA C 13 57.071 0.400 . . . . . . A 77 TYR CA . 34057 1 743 . 1 . 1 77 77 TYR CB C 13 42.889 0.400 . . . . . . A 77 TYR CB . 34057 1 744 . 1 . 1 77 77 TYR CD1 C 13 132.163 0.400 . . . . . . A 77 TYR CD1 . 34057 1 745 . 1 . 1 77 77 TYR CE1 C 13 118.096 0.400 . . . . . . A 77 TYR CE1 . 34057 1 746 . 1 . 1 77 77 TYR N N 15 121.169 0.400 . . . . . . A 77 TYR N . 34057 1 747 . 1 . 1 78 78 ASP H H 1 7.819 0.020 . . . . . . A 78 ASP H . 34057 1 748 . 1 . 1 78 78 ASP HA H 1 4.547 0.020 . . . . . . A 78 ASP HA . 34057 1 749 . 1 . 1 78 78 ASP HB2 H 1 2.503 0.020 . . . . . . A 78 ASP HB2 . 34057 1 750 . 1 . 1 78 78 ASP HB3 H 1 3.232 0.020 . . . . . . A 78 ASP HB3 . 34057 1 751 . 1 . 1 78 78 ASP CA C 13 53.481 0.400 . . . . . . A 78 ASP CA . 34057 1 752 . 1 . 1 78 78 ASP CB C 13 40.855 0.400 . . . . . . A 78 ASP CB . 34057 1 753 . 1 . 1 78 78 ASP N N 15 112.933 0.400 . . . . . . A 78 ASP N . 34057 1 754 . 1 . 1 79 79 ASN H H 1 7.176 0.020 . . . . . . A 79 ASN H . 34057 1 755 . 1 . 1 79 79 ASN HA H 1 5.108 0.020 . . . . . . A 79 ASN HA . 34057 1 756 . 1 . 1 79 79 ASN HB2 H 1 2.932 0.020 . . . . . . A 79 ASN HB2 . 34057 1 757 . 1 . 1 79 79 ASN HB3 H 1 2.867 0.020 . . . . . . A 79 ASN HB3 . 34057 1 758 . 1 . 1 79 79 ASN HD21 H 1 7.274 0.020 . . . . . . A 79 ASN HD21 . 34057 1 759 . 1 . 1 79 79 ASN HD22 H 1 7.983 0.020 . . . . . . A 79 ASN HD22 . 34057 1 760 . 1 . 1 79 79 ASN CA C 13 51.385 0.400 . . . . . . A 79 ASN CA . 34057 1 761 . 1 . 1 79 79 ASN CB C 13 41.584 0.400 . . . . . . A 79 ASN CB . 34057 1 762 . 1 . 1 79 79 ASN N N 15 114.034 0.400 . . . . . . A 79 ASN N . 34057 1 763 . 1 . 1 79 79 ASN ND2 N 15 114.641 0.400 . . . . . . A 79 ASN ND2 . 34057 1 764 . 1 . 1 80 80 PRO HA H 1 4.213 0.020 . . . . . . A 80 PRO HA . 34057 1 765 . 1 . 1 80 80 PRO HB2 H 1 2.103 0.020 . . . . . . A 80 PRO HB2 . 34057 1 766 . 1 . 1 80 80 PRO HB3 H 1 2.247 0.020 . . . . . . A 80 PRO HB3 . 34057 1 767 . 1 . 1 80 80 PRO HG2 H 1 2.017 0.020 . . . . . . A 80 PRO HG2 . 34057 1 768 . 1 . 1 80 80 PRO HG3 H 1 2.152 0.020 . . . . . . A 80 PRO HG3 . 34057 1 769 . 1 . 1 80 80 PRO HD2 H 1 3.565 0.020 . . . . . . A 80 PRO HD2 . 34057 1 770 . 1 . 1 80 80 PRO HD3 H 1 4.055 0.020 . . . . . . A 80 PRO HD3 . 34057 1 771 . 1 . 1 80 80 PRO CA C 13 64.897 0.400 . . . . . . A 80 PRO CA . 34057 1 772 . 1 . 1 80 80 PRO CB C 13 32.873 0.400 . . . . . . A 80 PRO CB . 34057 1 773 . 1 . 1 80 80 PRO CG C 13 27.450 0.400 . . . . . . A 80 PRO CG . 34057 1 774 . 1 . 1 80 80 PRO CD C 13 51.818 0.400 . . . . . . A 80 PRO CD . 34057 1 775 . 1 . 1 81 81 VAL H H 1 8.075 0.020 . . . . . . A 81 VAL H . 34057 1 776 . 1 . 1 81 81 VAL HA H 1 3.673 0.020 . . . . . . A 81 VAL HA . 34057 1 777 . 1 . 1 81 81 VAL HB H 1 2.076 0.020 . . . . . . A 81 VAL HB . 34057 1 778 . 1 . 1 81 81 VAL HG11 H 1 1.013 0.020 . . . . . . A 81 VAL HG11 . 34057 1 779 . 1 . 1 81 81 VAL HG12 H 1 1.013 0.020 . . . . . . A 81 VAL HG12 . 34057 1 780 . 1 . 1 81 81 VAL HG13 H 1 1.013 0.020 . . . . . . A 81 VAL HG13 . 34057 1 781 . 1 . 1 81 81 VAL HG21 H 1 0.931 0.020 . . . . . . A 81 VAL HG21 . 34057 1 782 . 1 . 1 81 81 VAL HG22 H 1 0.931 0.020 . . . . . . A 81 VAL HG22 . 34057 1 783 . 1 . 1 81 81 VAL HG23 H 1 0.931 0.020 . . . . . . A 81 VAL HG23 . 34057 1 784 . 1 . 1 81 81 VAL CA C 13 66.647 0.400 . . . . . . A 81 VAL CA . 34057 1 785 . 1 . 1 81 81 VAL CB C 13 31.368 0.400 . . . . . . A 81 VAL CB . 34057 1 786 . 1 . 1 81 81 VAL CG1 C 13 22.338 0.400 . . . . . . A 81 VAL CG1 . 34057 1 787 . 1 . 1 81 81 VAL CG2 C 13 21.057 0.400 . . . . . . A 81 VAL CG2 . 34057 1 788 . 1 . 1 81 81 VAL N N 15 120.893 0.400 . . . . . . A 81 VAL N . 34057 1 789 . 1 . 1 82 82 SER H H 1 7.818 0.020 . . . . . . A 82 SER H . 34057 1 790 . 1 . 1 82 82 SER HA H 1 3.985 0.020 . . . . . . A 82 SER HA . 34057 1 791 . 1 . 1 82 82 SER HB2 H 1 2.854 0.020 . . . . . . A 82 SER HB2 . 34057 1 792 . 1 . 1 82 82 SER HB3 H 1 3.220 0.020 . . . . . . A 82 SER HB3 . 34057 1 793 . 1 . 1 82 82 SER CA C 13 61.725 0.400 . . . . . . A 82 SER CA . 34057 1 794 . 1 . 1 82 82 SER CB C 13 63.062 0.400 . . . . . . A 82 SER CB . 34057 1 795 . 1 . 1 82 82 SER N N 15 117.811 0.400 . . . . . . A 82 SER N . 34057 1 796 . 1 . 1 83 83 ALA H H 1 6.366 0.020 . . . . . . A 83 ALA H . 34057 1 797 . 1 . 1 83 83 ALA HA H 1 3.782 0.020 . . . . . . A 83 ALA HA . 34057 1 798 . 1 . 1 83 83 ALA HB1 H 1 1.526 0.020 . . . . . . A 83 ALA HB1 . 34057 1 799 . 1 . 1 83 83 ALA HB2 H 1 1.526 0.020 . . . . . . A 83 ALA HB2 . 34057 1 800 . 1 . 1 83 83 ALA HB3 H 1 1.526 0.020 . . . . . . A 83 ALA HB3 . 34057 1 801 . 1 . 1 83 83 ALA CA C 13 55.194 0.400 . . . . . . A 83 ALA CA . 34057 1 802 . 1 . 1 83 83 ALA CB C 13 18.149 0.400 . . . . . . A 83 ALA CB . 34057 1 803 . 1 . 1 83 83 ALA N N 15 120.079 0.400 . . . . . . A 83 ALA N . 34057 1 804 . 1 . 1 84 84 GLN H H 1 7.741 0.020 . . . . . . A 84 GLN H . 34057 1 805 . 1 . 1 84 84 GLN HA H 1 3.874 0.020 . . . . . . A 84 GLN HA . 34057 1 806 . 1 . 1 84 84 GLN HB2 H 1 2.136 0.020 . . . . . . A 84 GLN HB2 . 34057 1 807 . 1 . 1 84 84 GLN HB3 H 1 2.136 0.020 . . . . . . A 84 GLN HB3 . 34057 1 808 . 1 . 1 84 84 GLN HG2 H 1 2.484 0.020 . . . . . . A 84 GLN HG2 . 34057 1 809 . 1 . 1 84 84 GLN HG3 H 1 2.484 0.020 . . . . . . A 84 GLN HG3 . 34057 1 810 . 1 . 1 84 84 GLN HE21 H 1 6.811 0.020 . . . . . . A 84 GLN HE21 . 34057 1 811 . 1 . 1 84 84 GLN HE22 H 1 7.817 0.020 . . . . . . A 84 GLN HE22 . 34057 1 812 . 1 . 1 84 84 GLN CA C 13 58.867 0.400 . . . . . . A 84 GLN CA . 34057 1 813 . 1 . 1 84 84 GLN CB C 13 27.892 0.400 . . . . . . A 84 GLN CB . 34057 1 814 . 1 . 1 84 84 GLN CG C 13 33.523 0.400 . . . . . . A 84 GLN CG . 34057 1 815 . 1 . 1 84 84 GLN N N 15 115.869 0.400 . . . . . . A 84 GLN N . 34057 1 816 . 1 . 1 84 84 GLN NE2 N 15 112.056 0.400 . . . . . . A 84 GLN NE2 . 34057 1 817 . 1 . 1 85 85 ALA H H 1 7.822 0.020 . . . . . . A 85 ALA H . 34057 1 818 . 1 . 1 85 85 ALA HA H 1 4.010 0.020 . . . . . . A 85 ALA HA . 34057 1 819 . 1 . 1 85 85 ALA HB1 H 1 1.575 0.020 . . . . . . A 85 ALA HB1 . 34057 1 820 . 1 . 1 85 85 ALA HB2 H 1 1.575 0.020 . . . . . . A 85 ALA HB2 . 34057 1 821 . 1 . 1 85 85 ALA HB3 H 1 1.575 0.020 . . . . . . A 85 ALA HB3 . 34057 1 822 . 1 . 1 85 85 ALA CA C 13 55.114 0.400 . . . . . . A 85 ALA CA . 34057 1 823 . 1 . 1 85 85 ALA CB C 13 17.729 0.400 . . . . . . A 85 ALA CB . 34057 1 824 . 1 . 1 85 85 ALA N N 15 122.805 0.400 . . . . . . A 85 ALA N . 34057 1 825 . 1 . 1 86 86 ALA H H 1 7.853 0.020 . . . . . . A 86 ALA H . 34057 1 826 . 1 . 1 86 86 ALA HA H 1 2.440 0.020 . . . . . . A 86 ALA HA . 34057 1 827 . 1 . 1 86 86 ALA HB1 H 1 1.448 0.020 . . . . . . A 86 ALA HB1 . 34057 1 828 . 1 . 1 86 86 ALA HB2 H 1 1.448 0.020 . . . . . . A 86 ALA HB2 . 34057 1 829 . 1 . 1 86 86 ALA HB3 H 1 1.448 0.020 . . . . . . A 86 ALA HB3 . 34057 1 830 . 1 . 1 86 86 ALA CA C 13 54.796 0.400 . . . . . . A 86 ALA CA . 34057 1 831 . 1 . 1 86 86 ALA CB C 13 18.976 0.400 . . . . . . A 86 ALA CB . 34057 1 832 . 1 . 1 86 86 ALA N N 15 121.653 0.400 . . . . . . A 86 ALA N . 34057 1 833 . 1 . 1 87 87 ILE H H 1 8.065 0.020 . . . . . . A 87 ILE H . 34057 1 834 . 1 . 1 87 87 ILE HA H 1 3.261 0.020 . . . . . . A 87 ILE HA . 34057 1 835 . 1 . 1 87 87 ILE HB H 1 1.783 0.020 . . . . . . A 87 ILE HB . 34057 1 836 . 1 . 1 87 87 ILE HG12 H 1 0.640 0.020 . . . . . . A 87 ILE HG12 . 34057 1 837 . 1 . 1 87 87 ILE HG13 H 1 1.783 0.020 . . . . . . A 87 ILE HG13 . 34057 1 838 . 1 . 1 87 87 ILE HG21 H 1 0.913 0.020 . . . . . . A 87 ILE HG21 . 34057 1 839 . 1 . 1 87 87 ILE HG22 H 1 0.913 0.020 . . . . . . A 87 ILE HG22 . 34057 1 840 . 1 . 1 87 87 ILE HG23 H 1 0.913 0.020 . . . . . . A 87 ILE HG23 . 34057 1 841 . 1 . 1 87 87 ILE HD11 H 1 0.767 0.020 . . . . . . A 87 ILE HD11 . 34057 1 842 . 1 . 1 87 87 ILE HD12 H 1 0.767 0.020 . . . . . . A 87 ILE HD12 . 34057 1 843 . 1 . 1 87 87 ILE HD13 H 1 0.767 0.020 . . . . . . A 87 ILE HD13 . 34057 1 844 . 1 . 1 87 87 ILE CA C 13 66.668 0.400 . . . . . . A 87 ILE CA . 34057 1 845 . 1 . 1 87 87 ILE CB C 13 38.608 0.400 . . . . . . A 87 ILE CB . 34057 1 846 . 1 . 1 87 87 ILE CG1 C 13 30.384 0.400 . . . . . . A 87 ILE CG1 . 34057 1 847 . 1 . 1 87 87 ILE CG2 C 13 17.311 0.400 . . . . . . A 87 ILE CG2 . 34057 1 848 . 1 . 1 87 87 ILE CD1 C 13 13.885 0.400 . . . . . . A 87 ILE CD1 . 34057 1 849 . 1 . 1 87 87 ILE N N 15 118.541 0.400 . . . . . . A 87 ILE N . 34057 1 850 . 1 . 1 88 88 GLN H H 1 7.737 0.020 . . . . . . A 88 GLN H . 34057 1 851 . 1 . 1 88 88 GLN HA H 1 3.916 0.020 . . . . . . A 88 GLN HA . 34057 1 852 . 1 . 1 88 88 GLN HB2 H 1 2.077 0.020 . . . . . . A 88 GLN HB2 . 34057 1 853 . 1 . 1 88 88 GLN HB3 H 1 2.077 0.020 . . . . . . A 88 GLN HB3 . 34057 1 854 . 1 . 1 88 88 GLN HG2 H 1 2.437 0.020 . . . . . . A 88 GLN HG2 . 34057 1 855 . 1 . 1 88 88 GLN HG3 H 1 2.437 0.020 . . . . . . A 88 GLN HG3 . 34057 1 856 . 1 . 1 88 88 GLN HE21 H 1 6.808 0.020 . . . . . . A 88 GLN HE21 . 34057 1 857 . 1 . 1 88 88 GLN HE22 H 1 7.334 0.020 . . . . . . A 88 GLN HE22 . 34057 1 858 . 1 . 1 88 88 GLN CA C 13 58.713 0.400 . . . . . . A 88 GLN CA . 34057 1 859 . 1 . 1 88 88 GLN CB C 13 28.295 0.400 . . . . . . A 88 GLN CB . 34057 1 860 . 1 . 1 88 88 GLN CG C 13 33.763 0.400 . . . . . . A 88 GLN CG . 34057 1 861 . 1 . 1 88 88 GLN N N 15 116.597 0.400 . . . . . . A 88 GLN N . 34057 1 862 . 1 . 1 88 88 GLN NE2 N 15 111.327 0.400 . . . . . . A 88 GLN NE2 . 34057 1 863 . 1 . 1 89 89 ALA H H 1 7.502 0.020 . . . . . . A 89 ALA H . 34057 1 864 . 1 . 1 89 89 ALA HA H 1 4.248 0.020 . . . . . . A 89 ALA HA . 34057 1 865 . 1 . 1 89 89 ALA HB1 H 1 1.232 0.020 . . . . . . A 89 ALA HB1 . 34057 1 866 . 1 . 1 89 89 ALA HB2 H 1 1.232 0.020 . . . . . . A 89 ALA HB2 . 34057 1 867 . 1 . 1 89 89 ALA HB3 H 1 1.232 0.020 . . . . . . A 89 ALA HB3 . 34057 1 868 . 1 . 1 89 89 ALA CA C 13 54.468 0.400 . . . . . . A 89 ALA CA . 34057 1 869 . 1 . 1 89 89 ALA CB C 13 21.545 0.400 . . . . . . A 89 ALA CB . 34057 1 870 . 1 . 1 89 89 ALA N N 15 117.142 0.400 . . . . . . A 89 ALA N . 34057 1 871 . 1 . 1 90 90 MET H H 1 8.241 0.020 . . . . . . A 90 MET H . 34057 1 872 . 1 . 1 90 90 MET HA H 1 4.867 0.020 . . . . . . A 90 MET HA . 34057 1 873 . 1 . 1 90 90 MET HB2 H 1 2.044 0.020 . . . . . . A 90 MET HB2 . 34057 1 874 . 1 . 1 90 90 MET HB3 H 1 1.849 0.020 . . . . . . A 90 MET HB3 . 34057 1 875 . 1 . 1 90 90 MET HE1 H 1 1.130 0.020 . . . . . . A 90 MET HE1 . 34057 1 876 . 1 . 1 90 90 MET HE2 H 1 1.130 0.020 . . . . . . A 90 MET HE2 . 34057 1 877 . 1 . 1 90 90 MET HE3 H 1 1.130 0.020 . . . . . . A 90 MET HE3 . 34057 1 878 . 1 . 1 90 90 MET CA C 13 53.713 0.400 . . . . . . A 90 MET CA . 34057 1 879 . 1 . 1 90 90 MET CB C 13 32.058 0.400 . . . . . . A 90 MET CB . 34057 1 880 . 1 . 1 90 90 MET CE C 13 15.478 0.400 . . . . . . A 90 MET CE . 34057 1 881 . 1 . 1 90 90 MET N N 15 111.165 0.400 . . . . . . A 90 MET N . 34057 1 882 . 1 . 1 91 91 ASN H H 1 8.487 0.020 . . . . . . A 91 ASN H . 34057 1 883 . 1 . 1 91 91 ASN HA H 1 4.501 0.020 . . . . . . A 91 ASN HA . 34057 1 884 . 1 . 1 91 91 ASN HB2 H 1 3.102 0.020 . . . . . . A 91 ASN HB2 . 34057 1 885 . 1 . 1 91 91 ASN HB3 H 1 2.994 0.020 . . . . . . A 91 ASN HB3 . 34057 1 886 . 1 . 1 91 91 ASN HD21 H 1 7.059 0.020 . . . . . . A 91 ASN HD21 . 34057 1 887 . 1 . 1 91 91 ASN HD22 H 1 7.872 0.020 . . . . . . A 91 ASN HD22 . 34057 1 888 . 1 . 1 91 91 ASN CA C 13 56.525 0.400 . . . . . . A 91 ASN CA . 34057 1 889 . 1 . 1 91 91 ASN CB C 13 38.690 0.400 . . . . . . A 91 ASN CB . 34057 1 890 . 1 . 1 91 91 ASN N N 15 118.845 0.400 . . . . . . A 91 ASN N . 34057 1 891 . 1 . 1 91 91 ASN ND2 N 15 114.507 0.400 . . . . . . A 91 ASN ND2 . 34057 1 892 . 1 . 1 92 92 GLY H H 1 9.002 0.020 . . . . . . A 92 GLY H . 34057 1 893 . 1 . 1 92 92 GLY HA2 H 1 4.363 0.020 . . . . . . A 92 GLY HA2 . 34057 1 894 . 1 . 1 92 92 GLY HA3 H 1 3.637 0.020 . . . . . . A 92 GLY HA3 . 34057 1 895 . 1 . 1 92 92 GLY CA C 13 45.654 0.400 . . . . . . A 92 GLY CA . 34057 1 896 . 1 . 1 92 92 GLY N N 15 118.298 0.400 . . . . . . A 92 GLY N . 34057 1 897 . 1 . 1 93 93 PHE H H 1 7.930 0.020 . . . . . . A 93 PHE H . 34057 1 898 . 1 . 1 93 93 PHE HA H 1 4.231 0.020 . . . . . . A 93 PHE HA . 34057 1 899 . 1 . 1 93 93 PHE HB2 H 1 2.970 0.020 . . . . . . A 93 PHE HB2 . 34057 1 900 . 1 . 1 93 93 PHE HB3 H 1 3.338 0.020 . . . . . . A 93 PHE HB3 . 34057 1 901 . 1 . 1 93 93 PHE HD1 H 1 7.094 0.020 . . . . . . A 93 PHE HD1 . 34057 1 902 . 1 . 1 93 93 PHE HD2 H 1 7.094 0.020 . . . . . . A 93 PHE HD2 . 34057 1 903 . 1 . 1 93 93 PHE HE1 H 1 7.284 0.020 . . . . . . A 93 PHE HE1 . 34057 1 904 . 1 . 1 93 93 PHE HE2 H 1 7.284 0.020 . . . . . . A 93 PHE HE2 . 34057 1 905 . 1 . 1 93 93 PHE HZ H 1 7.288 0.020 . . . . . . A 93 PHE HZ . 34057 1 906 . 1 . 1 93 93 PHE CA C 13 59.570 0.400 . . . . . . A 93 PHE CA . 34057 1 907 . 1 . 1 93 93 PHE CB C 13 41.137 0.400 . . . . . . A 93 PHE CB . 34057 1 908 . 1 . 1 93 93 PHE CD1 C 13 131.817 0.400 . . . . . . A 93 PHE CD1 . 34057 1 909 . 1 . 1 93 93 PHE CE1 C 13 131.413 0.400 . . . . . . A 93 PHE CE1 . 34057 1 910 . 1 . 1 93 93 PHE CZ C 13 129.813 0.400 . . . . . . A 93 PHE CZ . 34057 1 911 . 1 . 1 93 93 PHE N N 15 123.290 0.400 . . . . . . A 93 PHE N . 34057 1 912 . 1 . 1 94 94 GLN H H 1 8.018 0.020 . . . . . . A 94 GLN H . 34057 1 913 . 1 . 1 94 94 GLN HA H 1 4.648 0.020 . . . . . . A 94 GLN HA . 34057 1 914 . 1 . 1 94 94 GLN HB2 H 1 1.803 0.020 . . . . . . A 94 GLN HB2 . 34057 1 915 . 1 . 1 94 94 GLN HB3 H 1 1.714 0.020 . . . . . . A 94 GLN HB3 . 34057 1 916 . 1 . 1 94 94 GLN HG2 H 1 2.085 0.020 . . . . . . A 94 GLN HG2 . 34057 1 917 . 1 . 1 94 94 GLN HG3 H 1 2.085 0.020 . . . . . . A 94 GLN HG3 . 34057 1 918 . 1 . 1 94 94 GLN HE21 H 1 6.663 0.020 . . . . . . A 94 GLN HE21 . 34057 1 919 . 1 . 1 94 94 GLN HE22 H 1 7.416 0.020 . . . . . . A 94 GLN HE22 . 34057 1 920 . 1 . 1 94 94 GLN CA C 13 55.731 0.400 . . . . . . A 94 GLN CA . 34057 1 921 . 1 . 1 94 94 GLN CB C 13 29.126 0.400 . . . . . . A 94 GLN CB . 34057 1 922 . 1 . 1 94 94 GLN CG C 13 33.537 0.400 . . . . . . A 94 GLN CG . 34057 1 923 . 1 . 1 94 94 GLN N N 15 128.505 0.400 . . . . . . A 94 GLN N . 34057 1 924 . 1 . 1 94 94 GLN NE2 N 15 110.649 0.400 . . . . . . A 94 GLN NE2 . 34057 1 925 . 1 . 1 95 95 ILE H H 1 8.116 0.020 . . . . . . A 95 ILE H . 34057 1 926 . 1 . 1 95 95 ILE HA H 1 4.179 0.020 . . . . . . A 95 ILE HA . 34057 1 927 . 1 . 1 95 95 ILE HB H 1 1.700 0.020 . . . . . . A 95 ILE HB . 34057 1 928 . 1 . 1 95 95 ILE HG12 H 1 1.104 0.020 . . . . . . A 95 ILE HG12 . 34057 1 929 . 1 . 1 95 95 ILE HG13 H 1 1.562 0.020 . . . . . . A 95 ILE HG13 . 34057 1 930 . 1 . 1 95 95 ILE HG21 H 1 0.861 0.020 . . . . . . A 95 ILE HG21 . 34057 1 931 . 1 . 1 95 95 ILE HG22 H 1 0.861 0.020 . . . . . . A 95 ILE HG22 . 34057 1 932 . 1 . 1 95 95 ILE HG23 H 1 0.861 0.020 . . . . . . A 95 ILE HG23 . 34057 1 933 . 1 . 1 95 95 ILE HD11 H 1 0.935 0.020 . . . . . . A 95 ILE HD11 . 34057 1 934 . 1 . 1 95 95 ILE HD12 H 1 0.935 0.020 . . . . . . A 95 ILE HD12 . 34057 1 935 . 1 . 1 95 95 ILE HD13 H 1 0.935 0.020 . . . . . . A 95 ILE HD13 . 34057 1 936 . 1 . 1 95 95 ILE CA C 13 60.374 0.400 . . . . . . A 95 ILE CA . 34057 1 937 . 1 . 1 95 95 ILE CB C 13 39.669 0.400 . . . . . . A 95 ILE CB . 34057 1 938 . 1 . 1 95 95 ILE CG1 C 13 27.657 0.400 . . . . . . A 95 ILE CG1 . 34057 1 939 . 1 . 1 95 95 ILE CG2 C 13 16.976 0.400 . . . . . . A 95 ILE CG2 . 34057 1 940 . 1 . 1 95 95 ILE CD1 C 13 14.908 0.400 . . . . . . A 95 ILE CD1 . 34057 1 941 . 1 . 1 95 95 ILE N N 15 126.391 0.400 . . . . . . A 95 ILE N . 34057 1 942 . 1 . 1 96 96 GLY H H 1 8.952 0.020 . . . . . . A 96 GLY H . 34057 1 943 . 1 . 1 96 96 GLY HA2 H 1 3.903 0.020 . . . . . . A 96 GLY HA2 . 34057 1 944 . 1 . 1 96 96 GLY HA3 H 1 3.635 0.020 . . . . . . A 96 GLY HA3 . 34057 1 945 . 1 . 1 96 96 GLY CA C 13 47.004 0.400 . . . . . . A 96 GLY CA . 34057 1 946 . 1 . 1 96 96 GLY N N 15 117.599 0.400 . . . . . . A 96 GLY N . 34057 1 947 . 1 . 1 97 97 MET H H 1 8.933 0.020 . . . . . . A 97 MET H . 34057 1 948 . 1 . 1 97 97 MET HA H 1 4.425 0.020 . . . . . . A 97 MET HA . 34057 1 949 . 1 . 1 97 97 MET HB2 H 1 1.962 0.020 . . . . . . A 97 MET HB2 . 34057 1 950 . 1 . 1 97 97 MET HB3 H 1 2.244 0.020 . . . . . . A 97 MET HB3 . 34057 1 951 . 1 . 1 97 97 MET HG2 H 1 2.501 0.020 . . . . . . A 97 MET HG2 . 34057 1 952 . 1 . 1 97 97 MET HG3 H 1 2.632 0.020 . . . . . . A 97 MET HG3 . 34057 1 953 . 1 . 1 97 97 MET HE1 H 1 2.052 0.020 . . . . . . A 97 MET HE1 . 34057 1 954 . 1 . 1 97 97 MET HE2 H 1 2.052 0.020 . . . . . . A 97 MET HE2 . 34057 1 955 . 1 . 1 97 97 MET HE3 H 1 2.052 0.020 . . . . . . A 97 MET HE3 . 34057 1 956 . 1 . 1 97 97 MET CA C 13 55.646 0.400 . . . . . . A 97 MET CA . 34057 1 957 . 1 . 1 97 97 MET CB C 13 32.174 0.400 . . . . . . A 97 MET CB . 34057 1 958 . 1 . 1 97 97 MET CG C 13 32.292 0.400 . . . . . . A 97 MET CG . 34057 1 959 . 1 . 1 97 97 MET CE C 13 16.803 0.400 . . . . . . A 97 MET CE . 34057 1 960 . 1 . 1 97 97 MET N N 15 123.360 0.400 . . . . . . A 97 MET N . 34057 1 961 . 1 . 1 98 98 LYS H H 1 7.894 0.020 . . . . . . A 98 LYS H . 34057 1 962 . 1 . 1 98 98 LYS HA H 1 4.518 0.020 . . . . . . A 98 LYS HA . 34057 1 963 . 1 . 1 98 98 LYS HB2 H 1 1.849 0.020 . . . . . . A 98 LYS HB2 . 34057 1 964 . 1 . 1 98 98 LYS HB3 H 1 1.849 0.020 . . . . . . A 98 LYS HB3 . 34057 1 965 . 1 . 1 98 98 LYS HG2 H 1 1.318 0.020 . . . . . . A 98 LYS HG2 . 34057 1 966 . 1 . 1 98 98 LYS HG3 H 1 1.256 0.020 . . . . . . A 98 LYS HG3 . 34057 1 967 . 1 . 1 98 98 LYS HD2 H 1 1.393 0.020 . . . . . . A 98 LYS HD2 . 34057 1 968 . 1 . 1 98 98 LYS HD3 H 1 1.393 0.020 . . . . . . A 98 LYS HD3 . 34057 1 969 . 1 . 1 98 98 LYS HE2 H 1 2.860 0.020 . . . . . . A 98 LYS HE2 . 34057 1 970 . 1 . 1 98 98 LYS HE3 H 1 2.860 0.020 . . . . . . A 98 LYS HE3 . 34057 1 971 . 1 . 1 98 98 LYS CA C 13 55.331 0.400 . . . . . . A 98 LYS CA . 34057 1 972 . 1 . 1 98 98 LYS CB C 13 34.882 0.400 . . . . . . A 98 LYS CB . 34057 1 973 . 1 . 1 98 98 LYS CG C 13 25.358 0.400 . . . . . . A 98 LYS CG . 34057 1 974 . 1 . 1 98 98 LYS CD C 13 28.911 0.400 . . . . . . A 98 LYS CD . 34057 1 975 . 1 . 1 98 98 LYS N N 15 119.679 0.400 . . . . . . A 98 LYS N . 34057 1 976 . 1 . 1 99 99 ARG H H 1 8.234 0.020 . . . . . . A 99 ARG H . 34057 1 977 . 1 . 1 99 99 ARG HA H 1 4.831 0.020 . . . . . . A 99 ARG HA . 34057 1 978 . 1 . 1 99 99 ARG HB2 H 1 1.401 0.020 . . . . . . A 99 ARG HB2 . 34057 1 979 . 1 . 1 99 99 ARG HB3 H 1 1.558 0.020 . . . . . . A 99 ARG HB3 . 34057 1 980 . 1 . 1 99 99 ARG HG2 H 1 1.268 0.020 . . . . . . A 99 ARG HG2 . 34057 1 981 . 1 . 1 99 99 ARG HG3 H 1 1.489 0.020 . . . . . . A 99 ARG HG3 . 34057 1 982 . 1 . 1 99 99 ARG HD2 H 1 3.073 0.020 . . . . . . A 99 ARG HD2 . 34057 1 983 . 1 . 1 99 99 ARG HD3 H 1 3.123 0.020 . . . . . . A 99 ARG HD3 . 34057 1 984 . 1 . 1 99 99 ARG HE H 1 7.215 0.020 . . . . . . A 99 ARG HE . 34057 1 985 . 1 . 1 99 99 ARG CA C 13 54.498 0.400 . . . . . . A 99 ARG CA . 34057 1 986 . 1 . 1 99 99 ARG CB C 13 31.825 0.400 . . . . . . A 99 ARG CB . 34057 1 987 . 1 . 1 99 99 ARG CG C 13 28.036 0.400 . . . . . . A 99 ARG CG . 34057 1 988 . 1 . 1 99 99 ARG CD C 13 43.429 0.400 . . . . . . A 99 ARG CD . 34057 1 989 . 1 . 1 99 99 ARG N N 15 119.743 0.400 . . . . . . A 99 ARG N . 34057 1 990 . 1 . 1 99 99 ARG NE N 15 84.682 0.400 . . . . . . A 99 ARG NE . 34057 1 991 . 1 . 1 100 100 LEU H H 1 9.073 0.020 . . . . . . A 100 LEU H . 34057 1 992 . 1 . 1 100 100 LEU HA H 1 4.413 0.020 . . . . . . A 100 LEU HA . 34057 1 993 . 1 . 1 100 100 LEU HB2 H 1 1.456 0.020 . . . . . . A 100 LEU HB2 . 34057 1 994 . 1 . 1 100 100 LEU HB3 H 1 2.201 0.020 . . . . . . A 100 LEU HB3 . 34057 1 995 . 1 . 1 100 100 LEU HG H 1 2.021 0.020 . . . . . . A 100 LEU HG . 34057 1 996 . 1 . 1 100 100 LEU HD11 H 1 0.799 0.020 . . . . . . A 100 LEU HD11 . 34057 1 997 . 1 . 1 100 100 LEU HD12 H 1 0.799 0.020 . . . . . . A 100 LEU HD12 . 34057 1 998 . 1 . 1 100 100 LEU HD13 H 1 0.799 0.020 . . . . . . A 100 LEU HD13 . 34057 1 999 . 1 . 1 100 100 LEU HD21 H 1 0.946 0.020 . . . . . . A 100 LEU HD21 . 34057 1 1000 . 1 . 1 100 100 LEU HD22 H 1 0.946 0.020 . . . . . . A 100 LEU HD22 . 34057 1 1001 . 1 . 1 100 100 LEU HD23 H 1 0.946 0.020 . . . . . . A 100 LEU HD23 . 34057 1 1002 . 1 . 1 100 100 LEU CA C 13 55.955 0.400 . . . . . . A 100 LEU CA . 34057 1 1003 . 1 . 1 100 100 LEU CB C 13 43.404 0.400 . . . . . . A 100 LEU CB . 34057 1 1004 . 1 . 1 100 100 LEU CG C 13 26.981 0.400 . . . . . . A 100 LEU CG . 34057 1 1005 . 1 . 1 100 100 LEU CD1 C 13 24.169 0.400 . . . . . . A 100 LEU CD1 . 34057 1 1006 . 1 . 1 100 100 LEU CD2 C 13 25.905 0.400 . . . . . . A 100 LEU CD2 . 34057 1 1007 . 1 . 1 100 100 LEU N N 15 123.252 0.400 . . . . . . A 100 LEU N . 34057 1 1008 . 1 . 1 101 101 LYS H H 1 8.065 0.020 . . . . . . A 101 LYS H . 34057 1 1009 . 1 . 1 101 101 LYS HA H 1 5.123 0.020 . . . . . . A 101 LYS HA . 34057 1 1010 . 1 . 1 101 101 LYS HB2 H 1 1.531 0.020 . . . . . . A 101 LYS HB2 . 34057 1 1011 . 1 . 1 101 101 LYS HB3 H 1 1.455 0.020 . . . . . . A 101 LYS HB3 . 34057 1 1012 . 1 . 1 101 101 LYS HG2 H 1 1.406 0.020 . . . . . . A 101 LYS HG2 . 34057 1 1013 . 1 . 1 101 101 LYS HG3 H 1 1.243 0.020 . . . . . . A 101 LYS HG3 . 34057 1 1014 . 1 . 1 101 101 LYS HD2 H 1 1.595 0.020 . . . . . . A 101 LYS HD2 . 34057 1 1015 . 1 . 1 101 101 LYS HD3 H 1 1.685 0.020 . . . . . . A 101 LYS HD3 . 34057 1 1016 . 1 . 1 101 101 LYS HE2 H 1 2.880 0.020 . . . . . . A 101 LYS HE2 . 34057 1 1017 . 1 . 1 101 101 LYS HE3 H 1 2.880 0.020 . . . . . . A 101 LYS HE3 . 34057 1 1018 . 1 . 1 101 101 LYS CA C 13 54.961 0.400 . . . . . . A 101 LYS CA . 34057 1 1019 . 1 . 1 101 101 LYS CB C 13 34.727 0.400 . . . . . . A 101 LYS CB . 34057 1 1020 . 1 . 1 101 101 LYS CG C 13 24.947 0.400 . . . . . . A 101 LYS CG . 34057 1 1021 . 1 . 1 101 101 LYS CD C 13 29.081 0.400 . . . . . . A 101 LYS CD . 34057 1 1022 . 1 . 1 101 101 LYS N N 15 123.591 0.400 . . . . . . A 101 LYS N . 34057 1 1023 . 1 . 1 102 102 VAL H H 1 8.702 0.020 . . . . . . A 102 VAL H . 34057 1 1024 . 1 . 1 102 102 VAL HA H 1 4.862 0.020 . . . . . . A 102 VAL HA . 34057 1 1025 . 1 . 1 102 102 VAL HB H 1 1.828 0.020 . . . . . . A 102 VAL HB . 34057 1 1026 . 1 . 1 102 102 VAL HG11 H 1 0.881 0.020 . . . . . . A 102 VAL HG11 . 34057 1 1027 . 1 . 1 102 102 VAL HG12 H 1 0.881 0.020 . . . . . . A 102 VAL HG12 . 34057 1 1028 . 1 . 1 102 102 VAL HG13 H 1 0.881 0.020 . . . . . . A 102 VAL HG13 . 34057 1 1029 . 1 . 1 102 102 VAL HG21 H 1 0.985 0.020 . . . . . . A 102 VAL HG21 . 34057 1 1030 . 1 . 1 102 102 VAL HG22 H 1 0.985 0.020 . . . . . . A 102 VAL HG22 . 34057 1 1031 . 1 . 1 102 102 VAL HG23 H 1 0.985 0.020 . . . . . . A 102 VAL HG23 . 34057 1 1032 . 1 . 1 102 102 VAL CA C 13 61.260 0.400 . . . . . . A 102 VAL CA . 34057 1 1033 . 1 . 1 102 102 VAL CB C 13 34.441 0.400 . . . . . . A 102 VAL CB . 34057 1 1034 . 1 . 1 102 102 VAL CG1 C 13 23.635 0.400 . . . . . . A 102 VAL CG1 . 34057 1 1035 . 1 . 1 102 102 VAL CG2 C 13 21.858 0.400 . . . . . . A 102 VAL CG2 . 34057 1 1036 . 1 . 1 102 102 VAL N N 15 125.897 0.400 . . . . . . A 102 VAL N . 34057 1 1037 . 1 . 1 103 103 GLN H H 1 9.007 0.020 . . . . . . A 103 GLN H . 34057 1 1038 . 1 . 1 103 103 GLN HA H 1 4.825 0.020 . . . . . . A 103 GLN HA . 34057 1 1039 . 1 . 1 103 103 GLN HB2 H 1 2.390 0.020 . . . . . . A 103 GLN HB2 . 34057 1 1040 . 1 . 1 103 103 GLN HB3 H 1 2.390 0.020 . . . . . . A 103 GLN HB3 . 34057 1 1041 . 1 . 1 103 103 GLN HG2 H 1 2.249 0.020 . . . . . . A 103 GLN HG2 . 34057 1 1042 . 1 . 1 103 103 GLN HG3 H 1 2.091 0.020 . . . . . . A 103 GLN HG3 . 34057 1 1043 . 1 . 1 103 103 GLN HE21 H 1 6.938 0.020 . . . . . . A 103 GLN HE21 . 34057 1 1044 . 1 . 1 103 103 GLN HE22 H 1 7.695 0.020 . . . . . . A 103 GLN HE22 . 34057 1 1045 . 1 . 1 103 103 GLN CA C 13 53.575 0.400 . . . . . . A 103 GLN CA . 34057 1 1046 . 1 . 1 103 103 GLN CB C 13 33.405 0.400 . . . . . . A 103 GLN CB . 34057 1 1047 . 1 . 1 103 103 GLN CG C 13 33.764 0.400 . . . . . . A 103 GLN CG . 34057 1 1048 . 1 . 1 103 103 GLN N N 15 123.027 0.400 . . . . . . A 103 GLN N . 34057 1 1049 . 1 . 1 103 103 GLN NE2 N 15 111.926 0.400 . . . . . . A 103 GLN NE2 . 34057 1 1050 . 1 . 1 104 104 LEU H H 1 8.750 0.020 . . . . . . A 104 LEU H . 34057 1 1051 . 1 . 1 104 104 LEU HA H 1 4.493 0.020 . . . . . . A 104 LEU HA . 34057 1 1052 . 1 . 1 104 104 LEU HB2 H 1 1.633 0.020 . . . . . . A 104 LEU HB2 . 34057 1 1053 . 1 . 1 104 104 LEU HB3 H 1 1.571 0.020 . . . . . . A 104 LEU HB3 . 34057 1 1054 . 1 . 1 104 104 LEU HG H 1 0.924 0.020 . . . . . . A 104 LEU HG . 34057 1 1055 . 1 . 1 104 104 LEU HD11 H 1 0.803 0.020 . . . . . . A 104 LEU HD11 . 34057 1 1056 . 1 . 1 104 104 LEU HD12 H 1 0.803 0.020 . . . . . . A 104 LEU HD12 . 34057 1 1057 . 1 . 1 104 104 LEU HD13 H 1 0.803 0.020 . . . . . . A 104 LEU HD13 . 34057 1 1058 . 1 . 1 104 104 LEU HD21 H 1 0.803 0.020 . . . . . . A 104 LEU HD21 . 34057 1 1059 . 1 . 1 104 104 LEU HD22 H 1 0.803 0.020 . . . . . . A 104 LEU HD22 . 34057 1 1060 . 1 . 1 104 104 LEU HD23 H 1 0.803 0.020 . . . . . . A 104 LEU HD23 . 34057 1 1061 . 1 . 1 104 104 LEU CA C 13 55.775 0.400 . . . . . . A 104 LEU CA . 34057 1 1062 . 1 . 1 104 104 LEU CB C 13 42.603 0.400 . . . . . . A 104 LEU CB . 34057 1 1063 . 1 . 1 104 104 LEU CG C 13 25.520 0.400 . . . . . . A 104 LEU CG . 34057 1 1064 . 1 . 1 104 104 LEU CD1 C 13 23.800 0.400 . . . . . . A 104 LEU CD1 . 34057 1 1065 . 1 . 1 104 104 LEU N N 15 122.285 0.400 . . . . . . A 104 LEU N . 34057 1 1066 . 1 . 1 105 105 LYS H H 1 8.424 0.020 . . . . . . A 105 LYS H . 34057 1 1067 . 1 . 1 105 105 LYS HA H 1 4.295 0.020 . . . . . . A 105 LYS HA . 34057 1 1068 . 1 . 1 105 105 LYS HB2 H 1 1.619 0.020 . . . . . . A 105 LYS HB2 . 34057 1 1069 . 1 . 1 105 105 LYS HB3 H 1 1.364 0.020 . . . . . . A 105 LYS HB3 . 34057 1 1070 . 1 . 1 105 105 LYS HG2 H 1 1.403 0.020 . . . . . . A 105 LYS HG2 . 34057 1 1071 . 1 . 1 105 105 LYS HG3 H 1 1.403 0.020 . . . . . . A 105 LYS HG3 . 34057 1 1072 . 1 . 1 105 105 LYS HD2 H 1 1.518 0.020 . . . . . . A 105 LYS HD2 . 34057 1 1073 . 1 . 1 105 105 LYS HD3 H 1 1.518 0.020 . . . . . . A 105 LYS HD3 . 34057 1 1074 . 1 . 1 105 105 LYS HE2 H 1 2.842 0.020 . . . . . . A 105 LYS HE2 . 34057 1 1075 . 1 . 1 105 105 LYS HE3 H 1 2.842 0.020 . . . . . . A 105 LYS HE3 . 34057 1 1076 . 1 . 1 105 105 LYS CA C 13 56.790 0.400 . . . . . . A 105 LYS CA . 34057 1 1077 . 1 . 1 105 105 LYS CB C 13 33.726 0.400 . . . . . . A 105 LYS CB . 34057 1 1078 . 1 . 1 105 105 LYS CG C 13 25.234 0.400 . . . . . . A 105 LYS CG . 34057 1 1079 . 1 . 1 105 105 LYS CD C 13 29.915 0.400 . . . . . . A 105 LYS CD . 34057 1 1080 . 1 . 1 105 105 LYS CE C 13 42.121 0.400 . . . . . . A 105 LYS CE . 34057 1 1081 . 1 . 1 105 105 LYS N N 15 124.011 0.400 . . . . . . A 105 LYS N . 34057 1 1082 . 1 . 1 106 106 ARG H H 1 8.822 0.020 . . . . . . A 106 ARG H . 34057 1 1083 . 1 . 1 106 106 ARG HA H 1 4.396 0.020 . . . . . . A 106 ARG HA . 34057 1 1084 . 1 . 1 106 106 ARG HB2 H 1 1.776 0.020 . . . . . . A 106 ARG HB2 . 34057 1 1085 . 1 . 1 106 106 ARG HB3 H 1 1.648 0.020 . . . . . . A 106 ARG HB3 . 34057 1 1086 . 1 . 1 106 106 ARG HG2 H 1 1.574 0.020 . . . . . . A 106 ARG HG2 . 34057 1 1087 . 1 . 1 106 106 ARG HG3 H 1 1.574 0.020 . . . . . . A 106 ARG HG3 . 34057 1 1088 . 1 . 1 106 106 ARG HD2 H 1 3.029 0.020 . . . . . . A 106 ARG HD2 . 34057 1 1089 . 1 . 1 106 106 ARG HD3 H 1 3.029 0.020 . . . . . . A 106 ARG HD3 . 34057 1 1090 . 1 . 1 106 106 ARG HE H 1 7.155 0.020 . . . . . . A 106 ARG HE . 34057 1 1091 . 1 . 1 106 106 ARG CA C 13 56.328 0.400 . . . . . . A 106 ARG CA . 34057 1 1092 . 1 . 1 106 106 ARG CB C 13 31.465 0.400 . . . . . . A 106 ARG CB . 34057 1 1093 . 1 . 1 106 106 ARG CG C 13 27.246 0.400 . . . . . . A 106 ARG CG . 34057 1 1094 . 1 . 1 106 106 ARG CD C 13 43.450 0.400 . . . . . . A 106 ARG CD . 34057 1 1095 . 1 . 1 106 106 ARG N N 15 127.634 0.400 . . . . . . A 106 ARG N . 34057 1 1096 . 1 . 1 106 106 ARG NE N 15 84.516 0.400 . . . . . . A 106 ARG NE . 34057 1 1097 . 1 . 1 107 107 SER H H 1 8.697 0.020 . . . . . . A 107 SER H . 34057 1 1098 . 1 . 1 107 107 SER HA H 1 4.480 0.020 . . . . . . A 107 SER HA . 34057 1 1099 . 1 . 1 107 107 SER HB2 H 1 3.864 0.020 . . . . . . A 107 SER HB2 . 34057 1 1100 . 1 . 1 107 107 SER HB3 H 1 3.832 0.020 . . . . . . A 107 SER HB3 . 34057 1 1101 . 1 . 1 107 107 SER CA C 13 58.359 0.400 . . . . . . A 107 SER CA . 34057 1 1102 . 1 . 1 107 107 SER CB C 13 64.219 0.400 . . . . . . A 107 SER CB . 34057 1 1103 . 1 . 1 107 107 SER N N 15 118.822 0.400 . . . . . . A 107 SER N . 34057 1 1104 . 1 . 1 108 108 LYS H H 1 8.588 0.020 . . . . . . A 108 LYS H . 34057 1 1105 . 1 . 1 108 108 LYS HA H 1 4.222 0.020 . . . . . . A 108 LYS HA . 34057 1 1106 . 1 . 1 108 108 LYS HB2 H 1 1.713 0.020 . . . . . . A 108 LYS HB2 . 34057 1 1107 . 1 . 1 108 108 LYS HB3 H 1 1.775 0.020 . . . . . . A 108 LYS HB3 . 34057 1 1108 . 1 . 1 108 108 LYS HG2 H 1 1.340 0.020 . . . . . . A 108 LYS HG2 . 34057 1 1109 . 1 . 1 108 108 LYS HG3 H 1 1.340 0.020 . . . . . . A 108 LYS HG3 . 34057 1 1110 . 1 . 1 108 108 LYS HD2 H 1 1.596 0.020 . . . . . . A 108 LYS HD2 . 34057 1 1111 . 1 . 1 108 108 LYS HD3 H 1 1.596 0.020 . . . . . . A 108 LYS HD3 . 34057 1 1112 . 1 . 1 108 108 LYS HE2 H 1 2.907 0.020 . . . . . . A 108 LYS HE2 . 34057 1 1113 . 1 . 1 108 108 LYS HE3 H 1 2.907 0.020 . . . . . . A 108 LYS HE3 . 34057 1 1114 . 1 . 1 108 108 LYS CA C 13 56.676 0.400 . . . . . . A 108 LYS CA . 34057 1 1115 . 1 . 1 108 108 LYS CB C 13 32.923 0.400 . . . . . . A 108 LYS CB . 34057 1 1116 . 1 . 1 108 108 LYS CG C 13 24.703 0.400 . . . . . . A 108 LYS CG . 34057 1 1117 . 1 . 1 108 108 LYS CD C 13 29.122 0.400 . . . . . . A 108 LYS CD . 34057 1 1118 . 1 . 1 108 108 LYS CE C 13 42.117 0.400 . . . . . . A 108 LYS CE . 34057 1 1119 . 1 . 1 108 108 LYS N N 15 123.482 0.400 . . . . . . A 108 LYS N . 34057 1 1120 . 1 . 1 109 109 ASN H H 1 8.459 0.020 . . . . . . A 109 ASN H . 34057 1 1121 . 1 . 1 109 109 ASN HA H 1 4.650 0.020 . . . . . . A 109 ASN HA . 34057 1 1122 . 1 . 1 109 109 ASN HB2 H 1 2.801 0.020 . . . . . . A 109 ASN HB2 . 34057 1 1123 . 1 . 1 109 109 ASN HB3 H 1 2.667 0.020 . . . . . . A 109 ASN HB3 . 34057 1 1124 . 1 . 1 109 109 ASN HD21 H 1 6.914 0.020 . . . . . . A 109 ASN HD21 . 34057 1 1125 . 1 . 1 109 109 ASN HD22 H 1 7.595 0.020 . . . . . . A 109 ASN HD22 . 34057 1 1126 . 1 . 1 109 109 ASN CA C 13 53.663 0.400 . . . . . . A 109 ASN CA . 34057 1 1127 . 1 . 1 109 109 ASN CB C 13 38.828 0.400 . . . . . . A 109 ASN CB . 34057 1 1128 . 1 . 1 109 109 ASN N N 15 119.058 0.400 . . . . . . A 109 ASN N . 34057 1 1129 . 1 . 1 109 109 ASN ND2 N 15 112.918 0.400 . . . . . . A 109 ASN ND2 . 34057 1 1130 . 1 . 1 110 110 ASP H H 1 8.126 0.020 . . . . . . A 110 ASP H . 34057 1 1131 . 1 . 1 110 110 ASP HA H 1 4.577 0.020 . . . . . . A 110 ASP HA . 34057 1 1132 . 1 . 1 110 110 ASP HB2 H 1 2.637 0.020 . . . . . . A 110 ASP HB2 . 34057 1 1133 . 1 . 1 110 110 ASP HB3 H 1 2.653 0.020 . . . . . . A 110 ASP HB3 . 34057 1 1134 . 1 . 1 110 110 ASP CA C 13 54.640 0.400 . . . . . . A 110 ASP CA . 34057 1 1135 . 1 . 1 110 110 ASP CB C 13 41.201 0.400 . . . . . . A 110 ASP CB . 34057 1 1136 . 1 . 1 110 110 ASP N N 15 120.727 0.400 . . . . . . A 110 ASP N . 34057 1 1137 . 1 . 1 111 111 SER H H 1 8.167 0.020 . . . . . . A 111 SER H . 34057 1 1138 . 1 . 1 111 111 SER HA H 1 4.342 0.020 . . . . . . A 111 SER HA . 34057 1 1139 . 1 . 1 111 111 SER HB2 H 1 3.813 0.020 . . . . . . A 111 SER HB2 . 34057 1 1140 . 1 . 1 111 111 SER HB3 H 1 3.813 0.020 . . . . . . A 111 SER HB3 . 34057 1 1141 . 1 . 1 111 111 SER CA C 13 58.371 0.400 . . . . . . A 111 SER CA . 34057 1 1142 . 1 . 1 111 111 SER CB C 13 63.959 0.400 . . . . . . A 111 SER CB . 34057 1 1143 . 1 . 1 111 111 SER N N 15 115.533 0.400 . . . . . . A 111 SER N . 34057 1 1144 . 1 . 1 112 112 LYS H H 1 8.117 0.020 . . . . . . A 112 LYS H . 34057 1 1145 . 1 . 1 112 112 LYS HA H 1 4.474 0.020 . . . . . . A 112 LYS HA . 34057 1 1146 . 1 . 1 112 112 LYS HB2 H 1 1.570 0.020 . . . . . . A 112 LYS HB2 . 34057 1 1147 . 1 . 1 112 112 LYS HB3 H 1 1.570 0.020 . . . . . . A 112 LYS HB3 . 34057 1 1148 . 1 . 1 112 112 LYS HG2 H 1 1.291 0.020 . . . . . . A 112 LYS HG2 . 34057 1 1149 . 1 . 1 112 112 LYS HG3 H 1 1.291 0.020 . . . . . . A 112 LYS HG3 . 34057 1 1150 . 1 . 1 112 112 LYS CA C 13 54.161 0.400 . . . . . . A 112 LYS CA . 34057 1 1151 . 1 . 1 112 112 LYS CB C 13 32.543 0.400 . . . . . . A 112 LYS CB . 34057 1 1152 . 1 . 1 112 112 LYS CG C 13 24.429 0.400 . . . . . . A 112 LYS CG . 34057 1 1153 . 1 . 1 112 112 LYS N N 15 123.609 0.400 . . . . . . A 112 LYS N . 34057 1 1154 . 1 . 1 113 113 PRO HA H 1 4.333 0.020 . . . . . . A 113 PRO HA . 34057 1 1155 . 1 . 1 113 113 PRO HB2 H 1 1.795 0.020 . . . . . . A 113 PRO HB2 . 34057 1 1156 . 1 . 1 113 113 PRO HB3 H 1 2.048 0.020 . . . . . . A 113 PRO HB3 . 34057 1 1157 . 1 . 1 113 113 PRO HG2 H 1 1.799 0.020 . . . . . . A 113 PRO HG2 . 34057 1 1158 . 1 . 1 113 113 PRO HG3 H 1 1.690 0.020 . . . . . . A 113 PRO HG3 . 34057 1 1159 . 1 . 1 113 113 PRO HD2 H 1 3.370 0.020 . . . . . . A 113 PRO HD2 . 34057 1 1160 . 1 . 1 113 113 PRO HD3 H 1 3.601 0.020 . . . . . . A 113 PRO HD3 . 34057 1 1161 . 1 . 1 113 113 PRO CA C 13 63.610 0.400 . . . . . . A 113 PRO CA . 34057 1 1162 . 1 . 1 113 113 PRO CB C 13 31.575 0.400 . . . . . . A 113 PRO CB . 34057 1 1163 . 1 . 1 113 113 PRO CG C 13 26.996 0.400 . . . . . . A 113 PRO CG . 34057 1 1164 . 1 . 1 113 113 PRO CD C 13 50.572 0.400 . . . . . . A 113 PRO CD . 34057 1 1165 . 1 . 1 114 114 TRP H H 1 7.454 0.020 . . . . . . A 114 TRP H . 34057 1 1166 . 1 . 1 114 114 TRP HA H 1 4.407 0.020 . . . . . . A 114 TRP HA . 34057 1 1167 . 1 . 1 114 114 TRP HB2 H 1 3.128 0.020 . . . . . . A 114 TRP HB2 . 34057 1 1168 . 1 . 1 114 114 TRP HB3 H 1 3.211 0.020 . . . . . . A 114 TRP HB3 . 34057 1 1169 . 1 . 1 114 114 TRP HD1 H 1 7.112 0.020 . . . . . . A 114 TRP HD1 . 34057 1 1170 . 1 . 1 114 114 TRP HE1 H 1 9.993 0.020 . . . . . . A 114 TRP HE1 . 34057 1 1171 . 1 . 1 114 114 TRP HE3 H 1 7.518 0.020 . . . . . . A 114 TRP HE3 . 34057 1 1172 . 1 . 1 114 114 TRP HZ2 H 1 7.326 0.020 . . . . . . A 114 TRP HZ2 . 34057 1 1173 . 1 . 1 114 114 TRP HZ3 H 1 6.982 0.020 . . . . . . A 114 TRP HZ3 . 34057 1 1174 . 1 . 1 114 114 TRP HH2 H 1 7.048 0.020 . . . . . . A 114 TRP HH2 . 34057 1 1175 . 1 . 1 114 114 TRP CA C 13 58.602 0.400 . . . . . . A 114 TRP CA . 34057 1 1176 . 1 . 1 114 114 TRP CB C 13 29.866 0.400 . . . . . . A 114 TRP CB . 34057 1 1177 . 1 . 1 114 114 TRP CD1 C 13 126.910 0.400 . . . . . . A 114 TRP CD1 . 34057 1 1178 . 1 . 1 114 114 TRP CE3 C 13 121.418 0.400 . . . . . . A 114 TRP CE3 . 34057 1 1179 . 1 . 1 114 114 TRP CZ2 C 13 114.277 0.400 . . . . . . A 114 TRP CZ2 . 34057 1 1180 . 1 . 1 114 114 TRP CZ3 C 13 121.440 0.400 . . . . . . A 114 TRP CZ3 . 34057 1 1181 . 1 . 1 114 114 TRP CH2 C 13 124.290 0.400 . . . . . . A 114 TRP CH2 . 34057 1 1182 . 1 . 1 114 114 TRP N N 15 125.124 0.400 . . . . . . A 114 TRP N . 34057 1 1183 . 1 . 1 114 114 TRP NE1 N 15 128.674 0.400 . . . . . . A 114 TRP NE1 . 34057 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 34057 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 $chem_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 . _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' . . . 34057 2 2 '2D 1H-13C HSQC aliphatic' . . . 34057 2 3 '2D 1H-13C HSQC aromatic' . . . 34057 2 4 '3D 1H-15N NOESY' . . . 34057 2 5 '3D 1H-13C NOESY aliphatic' . . . 34057 2 6 '3D 1H-13C NOESY aromatic' . . . 34057 2 7 '2D 1H-15N HSQC long range' . . . 34057 2 8 '3D HNHA' . . . 34057 2 9 '2D 1H-1H TOCSY' . . . 34057 2 10 '2D 1H-1H NOESY' . . . 34057 2 11 '2D F2 13C-filtered 1H-1H NOESY' . . . 34057 2 12 'natural abundance 2D 13C-1H HSQC' . . . 34057 2 13 '3D F1 13C-filtered 1H-1H NOESY 13C-1H HSQC aliphatic' . . . 34057 2 14 '3D F1 13C-filtered 1H-1H NOESY 13C-1H HSQC aromatic' . . . 34057 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 1 1 U H1' H 1 5.837 0.020 . . . . . . B 115 U H1' . 34057 2 2 . 2 . 2 1 1 U H2' H 1 4.415 0.020 . . . . . . B 115 U H2' . 34057 2 3 . 2 . 2 1 1 U H3' H 1 4.562 0.020 . . . . . . B 115 U H3' . 34057 2 4 . 2 . 2 1 1 U H4' H 1 4.259 0.020 . . . . . . B 115 U H4' . 34057 2 5 . 2 . 2 1 1 U H5 H 1 5.753 0.020 . . . . . . B 115 U H5 . 34057 2 6 . 2 . 2 1 1 U H5' H 1 3.793 0.020 . . . . . . B 115 U H5' . 34057 2 7 . 2 . 2 1 1 U H5'' H 1 3.850 0.020 . . . . . . B 115 U H5'' . 34057 2 8 . 2 . 2 1 1 U H6 H 1 7.801 0.020 . . . . . . B 115 U H6 . 34057 2 9 . 2 . 2 2 2 U H1' H 1 5.876 0.020 . . . . . . B 116 U H1' . 34057 2 10 . 2 . 2 2 2 U H2' H 1 4.349 0.020 . . . . . . B 116 U H2' . 34057 2 11 . 2 . 2 2 2 U H3' H 1 4.650 0.020 . . . . . . B 116 U H3' . 34057 2 12 . 2 . 2 2 2 U H4' H 1 4.288 0.020 . . . . . . B 116 U H4' . 34057 2 13 . 2 . 2 2 2 U H5 H 1 5.777 0.020 . . . . . . B 116 U H5 . 34057 2 14 . 2 . 2 2 2 U H5' H 1 4.167 0.020 . . . . . . B 116 U H5' . 34057 2 15 . 2 . 2 2 2 U H5'' H 1 4.089 0.020 . . . . . . B 116 U H5'' . 34057 2 16 . 2 . 2 2 2 U H6 H 1 7.769 0.020 . . . . . . B 116 U H6 . 34057 2 17 . 2 . 2 3 3 U H1' H 1 5.837 0.020 . . . . . . B 117 U H1' . 34057 2 18 . 2 . 2 3 3 U H2' H 1 4.306 0.020 . . . . . . B 117 U H2' . 34057 2 19 . 2 . 2 3 3 U H3' H 1 4.621 0.020 . . . . . . B 117 U H3' . 34057 2 20 . 2 . 2 3 3 U H5 H 1 5.779 0.020 . . . . . . B 117 U H5 . 34057 2 21 . 2 . 2 3 3 U H5' H 1 4.034 0.020 . . . . . . B 117 U H5' . 34057 2 22 . 2 . 2 3 3 U H5'' H 1 4.082 0.020 . . . . . . B 117 U H5'' . 34057 2 23 . 2 . 2 3 3 U H6 H 1 7.705 0.020 . . . . . . B 117 U H6 . 34057 2 24 . 2 . 2 4 4 A H1' H 1 5.934 0.020 . . . . . . B 118 A H1' . 34057 2 25 . 2 . 2 4 4 A H2 H 1 8.011 0.020 . . . . . . B 118 A H2 . 34057 2 26 . 2 . 2 4 4 A H2' H 1 4.670 0.020 . . . . . . B 118 A H2' . 34057 2 27 . 2 . 2 4 4 A H3' H 1 4.791 0.020 . . . . . . B 118 A H3' . 34057 2 28 . 2 . 2 4 4 A H4' H 1 4.471 0.020 . . . . . . B 118 A H4' . 34057 2 29 . 2 . 2 4 4 A H5' H 1 4.160 0.020 . . . . . . B 118 A H5' . 34057 2 30 . 2 . 2 4 4 A H5'' H 1 4.160 0.020 . . . . . . B 118 A H5'' . 34057 2 31 . 2 . 2 4 4 A H8 H 1 8.245 0.020 . . . . . . B 118 A H8 . 34057 2 32 . 2 . 2 5 5 A H1' H 1 5.999 0.020 . . . . . . B 119 A H1' . 34057 2 33 . 2 . 2 5 5 A H2 H 1 8.141 0.020 . . . . . . B 119 A H2 . 34057 2 34 . 2 . 2 5 5 A H2' H 1 4.547 0.020 . . . . . . B 119 A H2' . 34057 2 35 . 2 . 2 5 5 A H3' H 1 4.470 0.020 . . . . . . B 119 A H3' . 34057 2 36 . 2 . 2 5 5 A H4' H 1 4.347 0.020 . . . . . . B 119 A H4' . 34057 2 37 . 2 . 2 5 5 A H5' H 1 4.172 0.020 . . . . . . B 119 A H5' . 34057 2 38 . 2 . 2 5 5 A H5'' H 1 4.304 0.020 . . . . . . B 119 A H5'' . 34057 2 39 . 2 . 2 5 5 A H8 H 1 8.296 0.020 . . . . . . B 119 A H8 . 34057 2 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_1 _Coupling_constant_list.Entry_ID 34057 _Coupling_constant_list.ID 1 _Coupling_constant_list.Name . _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 15 '2D spin-echo difference constant time HN(CO)CG' . . . 34057 1 16 '2D spin-echo difference constant time 1H-15N HSQC' . . . 34057 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JCOCG . 1 1 34 34 TYR C C 13 1 . 1 1 34 34 TYR CG C 13 1 2.45 . . 0.87 . . . . 428 TYR CG . . 428 TYR CG . 34057 1 2 3JCOCG . 1 1 35 35 HIS C C 13 1 . 1 1 35 35 HIS CG C 13 1 5.03 . . 0.09 . . . . 429 HIS CG . . 429 HIS CG . 34057 1 3 3JCOCG . 1 1 40 40 PHE C C 13 1 . 1 1 40 40 PHE CG C 13 1 3.56 . . 0.25 . . . . 434 PHE CG . . 434 PHE CG . 34057 1 4 3JCOCG . 1 1 49 49 PHE C C 13 1 . 1 1 49 49 PHE CG C 13 1 4.05 . . 0.07 . . . . 443 PHE CG . . 443 PHE CG . 34057 1 5 3JCOCG . 1 1 52 52 PHE C C 13 1 . 1 1 52 52 PHE CG C 13 1 3.92 . . 0.06 . . . . 446 PHE CG . . 446 PHE CG . 34057 1 6 3JCOCG . 1 1 61 61 PHE C C 13 1 . 1 1 61 61 PHE CG C 13 1 3.16 . . 0.15 . . . . 455 PHE CG . . 455 PHE CG . 34057 1 7 3JCOCG . 1 1 72 72 PHE C C 13 1 . 1 1 72 72 PHE CG C 13 1 2.44 . . 0.61 . . . . 466 PHE CG . . 466 PHE CG . 34057 1 8 3JCOCG . 1 1 74 74 PHE C C 13 1 . 1 1 74 74 PHE CG C 13 1 1.29 . . 0.24 . . . . 468 PHE CG . . 468 PHE CG . 34057 1 9 3JCOCG . 1 1 77 77 TYR C C 13 1 . 1 1 77 77 TYR CG C 13 1 3.68 . . 0.12 . . . . 471 TYR CG . . 471 TYR CG . 34057 1 10 3JCOCG . 1 1 93 93 PHE C C 13 1 . 1 1 93 93 PHE CG C 13 1 0.6 . . 0.1 . . . . 487 PHE CG . . 487 PHE CG . 34057 1 11 3JNCG . 1 1 32 32 PHE N N 15 1 . 1 1 32 32 PHE CG C 13 1 1 . . 0.18 . . . . 426 PHE CG . . 426 PHE CG . 34057 1 12 3JNCG . 1 1 34 34 TYR N N 15 1 . 1 1 34 34 TYR CG C 13 1 0.52 . . 0.19 . . . . 428 TYR CG . . 428 TYR CG . 34057 1 13 3JNCG . 1 1 35 35 HIS N N 15 1 . 1 1 35 35 HIS CG C 13 1 0.79 . . 0.33 . . . . 429 HIS CG . . 429 HIS CG . 34057 1 14 3JNCG . 1 1 40 40 PHE N N 15 1 . 1 1 40 40 PHE CG C 13 1 0.56 . . 0.11 . . . . 434 PHE CG . . 434 PHE CG . 34057 1 15 3JNCG . 1 1 49 49 PHE N N 15 1 . 1 1 49 49 PHE CG C 13 1 0.43 . . 0.08 . . . . 443 PHE CG . . 443 PHE CG . 34057 1 16 3JNCG . 1 1 52 52 PHE N N 15 1 . 1 1 52 52 PHE CG C 13 1 0.53 . . 0.14 . . . . 446 PHE CG . . 446 PHE CG . 34057 1 17 3JNCG . 1 1 61 61 PHE N N 15 1 . 1 1 61 61 PHE CG C 13 1 0.92 . . 0.1 . . . . 455 PHE CG . . 455 PHE CG . 34057 1 18 3JNCG . 1 1 74 74 PHE N N 15 1 . 1 1 74 74 PHE CG C 13 1 0.92 . . 0.1 . . . . 468 PHE CG . . 468 PHE CG . 34057 1 19 3JNCG . 1 1 93 93 PHE N N 15 1 . 1 1 93 93 PHE CG C 13 1 2.23 . . 0.04 . . . . 487 PHE CG . . 487 PHE CG . 34057 1 stop_ save_ save_coupling_constants_2 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_2 _Coupling_constant_list.Entry_ID 34057 _Coupling_constant_list.ID 2 _Coupling_constant_list.Name . _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 15 '2D spin-echo difference constant time HN(CO)CG' . . . 34057 2 16 '2D spin-echo difference constant time 1H-15N HSQC' . . . 34057 2 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 13 13 GLY H H 1 1 . 1 1 13 13 GLY HA H 1 1 6.46 . . . . . . . . . . . . . . . . 34057 2 2 3JHNHA . 1 1 14 14 LEU H H 1 1 . 1 1 14 14 LEU HA H 1 1 6.96 . . . . . . . . . . . . . . . . 34057 2 3 3JHNHA . 1 1 15 15 VAL H H 1 1 . 1 1 15 15 VAL HA H 1 1 7.97 . . . . . . . . . . . . . . . . 34057 2 4 3JHNHA . 1 1 17 17 ARG H H 1 1 . 1 1 17 17 ARG HA H 1 1 6.05 . . . . . . . . . . . . . . . . 34057 2 5 3JHNHA . 1 1 18 18 GLY H H 1 1 . 1 1 18 18 GLY HA H 1 1 7.27 . . . . . . . . . . . . . . . . 34057 2 6 3JHNHA . 1 1 19 19 SER H H 1 1 . 1 1 19 19 SER HA H 1 1 6.95 . . . . . . . . . . . . . . . . 34057 2 7 3JHNHA . 1 1 20 20 HIS H H 1 1 . 1 1 20 20 HIS HA H 1 1 6.75 . . . . . . . . . . . . . . . . 34057 2 8 3JHNHA . 1 1 22 22 GLN H H 1 1 . 1 1 22 22 GLN HA H 1 1 7.59 . . . . . . . . . . . . . . . . 34057 2 9 3JHNHA . 1 1 23 23 LYS H H 1 1 . 1 1 23 23 LYS HA H 1 1 6.57 . . . . . . . . . . . . . . . . 34057 2 10 3JHNHA . 1 1 24 24 GLU H H 1 1 . 1 1 24 24 GLU HA H 1 1 7.09 . . . . . . . . . . . . . . . . 34057 2 11 3JHNHA . 1 1 25 25 GLY H H 1 1 . 1 1 25 25 GLY HA H 1 1 7.25 . . . . . . . . . . . . . . . . 34057 2 12 3JHNHA . 1 1 27 27 GLU H H 1 1 . 1 1 27 27 GLU HA H 1 1 2.22 . . . . . . . . . . . . . . . . 34057 2 13 3JHNHA . 1 1 28 28 GLY H H 1 1 . 1 1 28 28 GLY HA H 1 1 6.93 . . . . . . . . . . . . . . . . 34057 2 14 3JHNHA . 1 1 29 29 ALA H H 1 1 . 1 1 29 29 ALA HA H 1 1 7.86 . . . . . . . . . . . . . . . . 34057 2 15 3JHNHA . 1 1 30 30 ASN H H 1 1 . 1 1 30 30 ASN HA H 1 1 7.93 . . . . . . . . . . . . . . . . 34057 2 16 3JHNHA . 1 1 31 31 LEU H H 1 1 . 1 1 31 31 LEU HA H 1 1 8.12 . . . . . . . . . . . . . . . . 34057 2 17 3JHNHA . 1 1 32 32 PHE H H 1 1 . 1 1 32 32 PHE HA H 1 1 8.97 . . . . . . . . . . . . . . . . 34057 2 18 3JHNHA . 1 1 33 33 ILE H H 1 1 . 1 1 33 33 ILE HA H 1 1 8.38 . . . . . . . . . . . . . . . . 34057 2 19 3JHNHA . 1 1 34 34 TYR H H 1 1 . 1 1 34 34 TYR HA H 1 1 8.2 . . . . . . . . . . . . . . . . 34057 2 20 3JHNHA . 1 1 39 39 GLU H H 1 1 . 1 1 39 39 GLU HA H 1 1 4.93 . . . . . . . . . . . . . . . . 34057 2 21 3JHNHA . 1 1 40 40 PHE H H 1 1 . 1 1 40 40 PHE HA H 1 1 5.26 . . . . . . . . . . . . . . . . 34057 2 22 3JHNHA . 1 1 41 41 GLY H H 1 1 . 1 1 41 41 GLY HA H 1 1 8.81 . . . . . . . . . . . . . . . . 34057 2 23 3JHNHA . 1 1 42 42 ASP H H 1 1 . 1 1 42 42 ASP HA H 1 1 1.72 . . . . . . . . . . . . . . . . 34057 2 24 3JHNHA . 1 1 43 43 GLN H H 1 1 . 1 1 43 43 GLN HA H 1 1 3.95 . . . . . . . . . . . . . . . . 34057 2 25 3JHNHA . 1 1 44 44 ASP H H 1 1 . 1 1 44 44 ASP HA H 1 1 5.71 . . . . . . . . . . . . . . . . 34057 2 26 3JHNHA . 1 1 45 45 ILE H H 1 1 . 1 1 45 45 ILE HA H 1 1 5.5 . . . . . . . . . . . . . . . . 34057 2 27 3JHNHA . 1 1 46 46 LEU H H 1 1 . 1 1 46 46 LEU HA H 1 1 2.86 . . . . . . . . . . . . . . . . 34057 2 28 3JHNHA . 1 1 47 47 GLN H H 1 1 . 1 1 47 47 GLN HA H 1 1 3.61 . . . . . . . . . . . . . . . . 34057 2 29 3JHNHA . 1 1 48 48 MET H H 1 1 . 1 1 48 48 MET HA H 1 1 4.62 . . . . . . . . . . . . . . . . 34057 2 30 3JHNHA . 1 1 49 49 PHE H H 1 1 . 1 1 49 49 PHE HA H 1 1 6.83 . . . . . . . . . . . . . . . . 34057 2 31 3JHNHA . 1 1 50 50 MET H H 1 1 . 1 1 50 50 MET HA H 1 1 3.21 . . . . . . . . . . . . . . . . 34057 2 32 3JHNHA . 1 1 52 52 PHE H H 1 1 . 1 1 52 52 PHE HA H 1 1 7.58 . . . . . . . . . . . . . . . . 34057 2 33 3JHNHA . 1 1 53 53 GLY H H 1 1 . 1 1 53 53 GLY HA H 1 1 5.02 . . . . . . . . . . . . . . . . 34057 2 34 3JHNHA . 1 1 54 54 ASN H H 1 1 . 1 1 54 54 ASN HA H 1 1 5.53 . . . . . . . . . . . . . . . . 34057 2 35 3JHNHA . 1 1 55 55 VAL H H 1 1 . 1 1 55 55 VAL HA H 1 1 6.47 . . . . . . . . . . . . . . . . 34057 2 36 3JHNHA . 1 1 56 56 ILE H H 1 1 . 1 1 56 56 ILE HA H 1 1 8.3 . . . . . . . . . . . . . . . . 34057 2 37 3JHNHA . 1 1 57 57 SER H H 1 1 . 1 1 57 57 SER HA H 1 1 6.51 . . . . . . . . . . . . . . . . 34057 2 38 3JHNHA . 1 1 58 58 ALA H H 1 1 . 1 1 58 58 ALA HA H 1 1 6.92 . . . . . . . . . . . . . . . . 34057 2 39 3JHNHA . 1 1 59 59 LYS H H 1 1 . 1 1 59 59 LYS HA H 1 1 7.28 . . . . . . . . . . . . . . . . 34057 2 40 3JHNHA . 1 1 60 60 VAL H H 1 1 . 1 1 60 60 VAL HA H 1 1 8.17 . . . . . . . . . . . . . . . . 34057 2 41 3JHNHA . 1 1 62 62 ILE H H 1 1 . 1 1 62 62 ILE HA H 1 1 8.75 . . . . . . . . . . . . . . . . 34057 2 42 3JHNHA . 1 1 63 63 ASP H H 1 1 . 1 1 63 63 ASP HA H 1 1 6.64 . . . . . . . . . . . . . . . . 34057 2 43 3JHNHA . 1 1 64 64 LYS H H 1 1 . 1 1 64 64 LYS HA H 1 1 4.06 . . . . . . . . . . . . . . . . 34057 2 44 3JHNHA . 1 1 65 65 GLN H H 1 1 . 1 1 65 65 GLN HA H 1 1 7.24 . . . . . . . . . . . . . . . . 34057 2 45 3JHNHA . 1 1 66 66 THR H H 1 1 . 1 1 66 66 THR HA H 1 1 8.36 . . . . . . . . . . . . . . . . 34057 2 46 3JHNHA . 1 1 67 67 ASN H H 1 1 . 1 1 67 67 ASN HA H 1 1 6.41 . . . . . . . . . . . . . . . . 34057 2 47 3JHNHA . 1 1 68 68 LEU H H 1 1 . 1 1 68 68 LEU HA H 1 1 8.16 . . . . . . . . . . . . . . . . 34057 2 48 3JHNHA . 1 1 74 74 PHE H H 1 1 . 1 1 74 74 PHE HA H 1 1 8.98 . . . . . . . . . . . . . . . . 34057 2 49 3JHNHA . 1 1 75 75 VAL H H 1 1 . 1 1 75 75 VAL HA H 1 1 3.75 . . . . . . . . . . . . . . . . 34057 2 50 3JHNHA . 1 1 76 76 SER H H 1 1 . 1 1 76 76 SER HA H 1 1 9.28 . . . . . . . . . . . . . . . . 34057 2 51 3JHNHA . 1 1 77 77 TYR H H 1 1 . 1 1 77 77 TYR HA H 1 1 9.11 . . . . . . . . . . . . . . . . 34057 2 52 3JHNHA . 1 1 78 78 ASP H H 1 1 . 1 1 78 78 ASP HA H 1 1 4.37 . . . . . . . . . . . . . . . . 34057 2 53 3JHNHA . 1 1 79 79 ASN H H 1 1 . 1 1 79 79 ASN HA H 1 1 7.79 . . . . . . . . . . . . . . . . 34057 2 54 3JHNHA . 1 1 81 81 VAL H H 1 1 . 1 1 81 81 VAL HA H 1 1 5.27 . . . . . . . . . . . . . . . . 34057 2 55 3JHNHA . 1 1 82 82 SER H H 1 1 . 1 1 82 82 SER HA H 1 1 3.88 . . . . . . . . . . . . . . . . 34057 2 56 3JHNHA . 1 1 83 83 ALA H H 1 1 . 1 1 83 83 ALA HA H 1 1 4.22 . . . . . . . . . . . . . . . . 34057 2 57 3JHNHA . 1 1 84 84 GLN H H 1 1 . 1 1 84 84 GLN HA H 1 1 4.36 . . . . . . . . . . . . . . . . 34057 2 58 3JHNHA . 1 1 85 85 ALA H H 1 1 . 1 1 85 85 ALA HA H 1 1 6.06 . . . . . . . . . . . . . . . . 34057 2 59 3JHNHA . 1 1 86 86 ALA H H 1 1 . 1 1 86 86 ALA HA H 1 1 3.86 . . . . . . . . . . . . . . . . 34057 2 60 3JHNHA . 1 1 87 87 ILE H H 1 1 . 1 1 87 87 ILE HA H 1 1 3.49 . . . . . . . . . . . . . . . . 34057 2 61 3JHNHA . 1 1 88 88 GLN H H 1 1 . 1 1 88 88 GLN HA H 1 1 3.46 . . . . . . . . . . . . . . . . 34057 2 62 3JHNHA . 1 1 89 89 ALA H H 1 1 . 1 1 89 89 ALA HA H 1 1 5.98 . . . . . . . . . . . . . . . . 34057 2 63 3JHNHA . 1 1 90 90 MET H H 1 1 . 1 1 90 90 MET HA H 1 1 7.68 . . . . . . . . . . . . . . . . 34057 2 64 3JHNHA . 1 1 91 91 ASN H H 1 1 . 1 1 91 91 ASN HA H 1 1 4.18 . . . . . . . . . . . . . . . . 34057 2 65 3JHNHA . 1 1 92 92 GLY H H 1 1 . 1 1 92 92 GLY HA H 1 1 6.96 . . . . . . . . . . . . . . . . 34057 2 66 3JHNHA . 1 1 93 93 PHE H H 1 1 . 1 1 93 93 PHE HA H 1 1 2.26 . . . . . . . . . . . . . . . . 34057 2 67 3JHNHA . 1 1 94 94 GLN H H 1 1 . 1 1 94 94 GLN HA H 1 1 5.65 . . . . . . . . . . . . . . . . 34057 2 68 3JHNHA . 1 1 95 95 ILE H H 1 1 . 1 1 95 95 ILE HA H 1 1 8.49 . . . . . . . . . . . . . . . . 34057 2 69 3JHNHA . 1 1 96 96 GLY H H 1 1 . 1 1 96 96 GLY HA H 1 1 4.06 . . . . . . . . . . . . . . . . 34057 2 70 3JHNHA . 1 1 96 96 GLY H H 1 1 . 1 1 96 96 GLY HA H 1 1 5.48 . . . . . . . . . . . . . . . . 34057 2 71 3JHNHA . 1 1 98 98 LYS H H 1 1 . 1 1 98 98 LYS HA H 1 1 8.58 . . . . . . . . . . . . . . . . 34057 2 72 3JHNHA . 1 1 99 99 ARG H H 1 1 . 1 1 99 99 ARG HA H 1 1 8.56 . . . . . . . . . . . . . . . . 34057 2 73 3JHNHA . 1 1 100 100 LEU H H 1 1 . 1 1 100 100 LEU HA H 1 1 3.45 . . . . . . . . . . . . . . . . 34057 2 74 3JHNHA . 1 1 101 101 LYS H H 1 1 . 1 1 101 101 LYS HA H 1 1 2.79 . . . . . . . . . . . . . . . . 34057 2 75 3JHNHA . 1 1 102 102 VAL H H 1 1 . 1 1 102 102 VAL HA H 1 1 8.51 . . . . . . . . . . . . . . . . 34057 2 76 3JHNHA . 1 1 103 103 GLN H H 1 1 . 1 1 103 103 GLN HA H 1 1 7.47 . . . . . . . . . . . . . . . . 34057 2 77 3JHNHA . 1 1 104 104 LEU H H 1 1 . 1 1 104 104 LEU HA H 1 1 4.06 . . . . . . . . . . . . . . . . 34057 2 78 3JHNHA . 1 1 105 105 LYS H H 1 1 . 1 1 105 105 LYS HA H 1 1 3.77 . . . . . . . . . . . . . . . . 34057 2 79 3JHNHA . 1 1 106 106 ARG H H 1 1 . 1 1 106 106 ARG HA H 1 1 7.44 . . . . . . . . . . . . . . . . 34057 2 80 3JHNHA . 1 1 107 107 SER H H 1 1 . 1 1 107 107 SER HA H 1 1 6.58 . . . . . . . . . . . . . . . . 34057 2 81 3JHNHA . 1 1 108 108 LYS H H 1 1 . 1 1 108 108 LYS HA H 1 1 6.25 . . . . . . . . . . . . . . . . 34057 2 82 3JHNHA . 1 1 109 109 ASN H H 1 1 . 1 1 109 109 ASN HA H 1 1 5.26 . . . . . . . . . . . . . . . . 34057 2 83 3JHNHA . 1 1 110 110 ASP H H 1 1 . 1 1 110 110 ASP HA H 1 1 6.24 . . . . . . . . . . . . . . . . 34057 2 84 3JHNHA . 1 1 111 111 SER H H 1 1 . 1 1 111 111 SER HA H 1 1 7.67 . . . . . . . . . . . . . . . . 34057 2 85 3JHNHA . 1 1 112 112 LYS H H 1 1 . 1 1 112 112 LYS HA H 1 1 5.92 . . . . . . . . . . . . . . . . 34057 2 86 3JHNHA . 1 1 114 114 TRP H H 1 1 . 1 1 114 114 TRP HA H 1 1 7 . . . . . . . . . . . . . . . . 34057 2 stop_ save_