data_30068 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30068 _Entry.Title ; M. Oryzae effector AVR-Pia mutant H3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-21 _Entry.Accession_date 2016-04-21 _Entry.Last_release_date 2016-04-21 _Entry.Original_release_date 2016-04-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Andre Padilla A. . . . 30068 2 Karine deGuillen K. . . . 30068 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Avirulence effector Magnaporthe Oryzae' . 30068 'Structure from MOLMOL' . 30068 antiviral . 30068 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30068 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 152 30068 '15N chemical shifts' 75 30068 '1H chemical shifts' 522 30068 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 . . 2018-03-16 2016-04-21 update BMRB 'update entry citation' 30068 1 . . 2017-03-23 2016-04-21 original author 'original release' 30068 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5JHJ 'BMRB Entry Tracking System' 30068 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30068 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28087830 _Citation.Full_citation . _Citation.Title ; Recognition of the Magnaporthe oryzae Effector AVR-Pia by the Decoy Domain of the Rice NLR Immune Receptor RGA5. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plant Cell' _Citation.Journal_name_full 'The Plant cell' _Citation.Journal_volume 29 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1532-298X _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 156 _Citation.Page_last 168 _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 Diana Ortiz D. . . . 30068 1 2 Karine 'de Guillen' K. . . . 30068 1 3 Stella Cesari S. . . . 30068 1 4 Veronique Chalvon V. . . . 30068 1 5 Jerome Gracy J. . . . 30068 1 6 Andre Padilla A. . . . 30068 1 7 Thomas Kroj T. . . . 30068 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30068 _Assembly.ID 1 _Assembly.Name 'Antivirulence protein AVR-Pia' _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 . . . . . . 30068 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 37 37 SG . 1 . 1 CYS 78 78 SG . . . 25 CYS SG . . . 66 CYS SG 30068 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30068 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Antivirulence protein AVR-Pia' _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 ; APQDNTSMGSSHHHHHHSSG RENLYFQGHMAAPARSCVYY DGHLPATRVLLMYVRIGNTA TITARGHEFEVEAKDQNCKV ILTNGKQAPDWLAAEPY ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'F24S, T46N' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10830.049 _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 -11 ALA . 30068 1 2 -10 PRO . 30068 1 3 -9 GLN . 30068 1 4 -8 ASP . 30068 1 5 -7 ASN . 30068 1 6 -6 THR . 30068 1 7 -5 SER . 30068 1 8 -4 MET . 30068 1 9 -3 GLY . 30068 1 10 -2 SER . 30068 1 11 -1 SER . 30068 1 12 0 HIS . 30068 1 13 1 HIS . 30068 1 14 2 HIS . 30068 1 15 3 HIS . 30068 1 16 4 HIS . 30068 1 17 5 HIS . 30068 1 18 6 SER . 30068 1 19 7 SER . 30068 1 20 8 GLY . 30068 1 21 9 ARG . 30068 1 22 10 GLU . 30068 1 23 11 ASN . 30068 1 24 12 LEU . 30068 1 25 13 TYR . 30068 1 26 14 PHE . 30068 1 27 15 GLN . 30068 1 28 16 GLY . 30068 1 29 17 HIS . 30068 1 30 18 MET . 30068 1 31 19 ALA . 30068 1 32 20 ALA . 30068 1 33 21 PRO . 30068 1 34 22 ALA . 30068 1 35 23 ARG . 30068 1 36 24 SER . 30068 1 37 25 CYS . 30068 1 38 26 VAL . 30068 1 39 27 TYR . 30068 1 40 28 TYR . 30068 1 41 29 ASP . 30068 1 42 30 GLY . 30068 1 43 31 HIS . 30068 1 44 32 LEU . 30068 1 45 33 PRO . 30068 1 46 34 ALA . 30068 1 47 35 THR . 30068 1 48 36 ARG . 30068 1 49 37 VAL . 30068 1 50 38 LEU . 30068 1 51 39 LEU . 30068 1 52 40 MET . 30068 1 53 41 TYR . 30068 1 54 42 VAL . 30068 1 55 43 ARG . 30068 1 56 44 ILE . 30068 1 57 45 GLY . 30068 1 58 46 ASN . 30068 1 59 47 THR . 30068 1 60 48 ALA . 30068 1 61 49 THR . 30068 1 62 50 ILE . 30068 1 63 51 THR . 30068 1 64 52 ALA . 30068 1 65 53 ARG . 30068 1 66 54 GLY . 30068 1 67 55 HIS . 30068 1 68 56 GLU . 30068 1 69 57 PHE . 30068 1 70 58 GLU . 30068 1 71 59 VAL . 30068 1 72 60 GLU . 30068 1 73 61 ALA . 30068 1 74 62 LYS . 30068 1 75 63 ASP . 30068 1 76 64 GLN . 30068 1 77 65 ASN . 30068 1 78 66 CYS . 30068 1 79 67 LYS . 30068 1 80 68 VAL . 30068 1 81 69 ILE . 30068 1 82 70 LEU . 30068 1 83 71 THR . 30068 1 84 72 ASN . 30068 1 85 73 GLY . 30068 1 86 74 LYS . 30068 1 87 75 GLN . 30068 1 88 76 ALA . 30068 1 89 77 PRO . 30068 1 90 78 ASP . 30068 1 91 79 TRP . 30068 1 92 80 LEU . 30068 1 93 81 ALA . 30068 1 94 82 ALA . 30068 1 95 83 GLU . 30068 1 96 84 PRO . 30068 1 97 85 TYR . 30068 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 . ALA 1 1 30068 1 . PRO 2 2 30068 1 . GLN 3 3 30068 1 . ASP 4 4 30068 1 . ASN 5 5 30068 1 . THR 6 6 30068 1 . SER 7 7 30068 1 . MET 8 8 30068 1 . GLY 9 9 30068 1 . SER 10 10 30068 1 . SER 11 11 30068 1 . HIS 12 12 30068 1 . HIS 13 13 30068 1 . HIS 14 14 30068 1 . HIS 15 15 30068 1 . HIS 16 16 30068 1 . HIS 17 17 30068 1 . SER 18 18 30068 1 . SER 19 19 30068 1 . GLY 20 20 30068 1 . ARG 21 21 30068 1 . GLU 22 22 30068 1 . ASN 23 23 30068 1 . LEU 24 24 30068 1 . TYR 25 25 30068 1 . PHE 26 26 30068 1 . GLN 27 27 30068 1 . GLY 28 28 30068 1 . HIS 29 29 30068 1 . MET 30 30 30068 1 . ALA 31 31 30068 1 . ALA 32 32 30068 1 . PRO 33 33 30068 1 . ALA 34 34 30068 1 . ARG 35 35 30068 1 . SER 36 36 30068 1 . CYS 37 37 30068 1 . VAL 38 38 30068 1 . TYR 39 39 30068 1 . TYR 40 40 30068 1 . ASP 41 41 30068 1 . GLY 42 42 30068 1 . HIS 43 43 30068 1 . LEU 44 44 30068 1 . PRO 45 45 30068 1 . ALA 46 46 30068 1 . THR 47 47 30068 1 . ARG 48 48 30068 1 . VAL 49 49 30068 1 . LEU 50 50 30068 1 . LEU 51 51 30068 1 . MET 52 52 30068 1 . TYR 53 53 30068 1 . VAL 54 54 30068 1 . ARG 55 55 30068 1 . ILE 56 56 30068 1 . GLY 57 57 30068 1 . ASN 58 58 30068 1 . THR 59 59 30068 1 . ALA 60 60 30068 1 . THR 61 61 30068 1 . ILE 62 62 30068 1 . THR 63 63 30068 1 . ALA 64 64 30068 1 . ARG 65 65 30068 1 . GLY 66 66 30068 1 . HIS 67 67 30068 1 . GLU 68 68 30068 1 . PHE 69 69 30068 1 . GLU 70 70 30068 1 . VAL 71 71 30068 1 . GLU 72 72 30068 1 . ALA 73 73 30068 1 . LYS 74 74 30068 1 . ASP 75 75 30068 1 . GLN 76 76 30068 1 . ASN 77 77 30068 1 . CYS 78 78 30068 1 . LYS 79 79 30068 1 . VAL 80 80 30068 1 . ILE 81 81 30068 1 . LEU 82 82 30068 1 . THR 83 83 30068 1 . ASN 84 84 30068 1 . GLY 85 85 30068 1 . LYS 86 86 30068 1 . GLN 87 87 30068 1 . ALA 88 88 30068 1 . PRO 89 89 30068 1 . ASP 90 90 30068 1 . TRP 91 91 30068 1 . LEU 92 92 30068 1 . ALA 93 93 30068 1 . ALA 94 94 30068 1 . GLU 95 95 30068 1 . PRO 96 96 30068 1 . TYR 97 97 30068 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30068 _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 . 318829 organism . 'Magnaporthe oryzae' 'Rice blast fungus' . . Eukaryota Fungi Magnaporthe oryzae . 'H3 allele' . . . . . . . . . AVR-Pia . 30068 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 30068 _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 BL21(DE3)' . . 469008 . . . . . . . . PET-SP . . . 30068 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30068 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-15N] AVR-Pia-H3, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AVR-Pia-H3 [U-15N] . . 1 $entity_1 . . 1 . . mM . . . . 30068 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30068 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30068 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30068 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 30068 1 pH 5.4 . pH 30068 1 pressure 1 . atm 30068 1 temperature 305 . K 30068 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30068 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30068 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30068 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30068 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30068 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30068 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30068 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30068 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30068 3 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 30068 _NMR_spectrometer.ID 1 _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 30068 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 700 . . . 30068 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 30068 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30068 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30068 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30068 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30068 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30068 1 6 '2D 1H-13C TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30068 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 30068 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 internal indirect 0.25144953 . . . . . 30068 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30068 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30068 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 30068 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 2 '3D 1H-15N NOESY' . . . 30068 1 4 '2D 1H-1H TOCSY' . . . 30068 1 5 '2D 1H-13C HSQC' . . . 30068 1 6 '2D 1H-13C TOCSY' . . . 30068 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 30068 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 19 19 SER HA H 1 4.448 0.000 . . . . . . A 7 SER HA . 30068 1 2 . 1 1 19 19 SER HB2 H 1 3.892 0.000 . . . . . . A 7 SER HB2 . 30068 1 3 . 1 1 19 19 SER HB3 H 1 3.825 0.000 . . . . . . A 7 SER HB3 . 30068 1 4 . 1 1 19 19 SER H H 1 8.288 0.000 . . . . . . A 7 SER H1 . 30068 1 5 . 1 1 19 19 SER CA C 13 58.620 0.000 . . . . . . A 7 SER CA . 30068 1 6 . 1 1 19 19 SER CB C 13 64.200 0.000 . . . . . . A 7 SER CB . 30068 1 7 . 1 1 19 19 SER N N 15 117.740 0.000 . . . . . . A 7 SER N . 30068 1 8 . 1 1 20 20 GLY H H 1 8.459 0.000 . . . . . . A 8 GLY H . 30068 1 9 . 1 1 20 20 GLY HA2 H 1 3.982 0.000 . . . . . . A 8 GLY HA2 . 30068 1 10 . 1 1 20 20 GLY HA3 H 1 4.023 0.000 . . . . . . A 8 GLY HA3 . 30068 1 11 . 1 1 20 20 GLY CA C 13 45.470 0.000 . . . . . . A 8 GLY CA . 30068 1 12 . 1 1 20 20 GLY N N 15 110.820 0.000 . . . . . . A 8 GLY N . 30068 1 13 . 1 1 21 21 ARG H H 1 8.197 0.000 . . . . . . A 9 ARG H . 30068 1 14 . 1 1 21 21 ARG HA H 1 4.318 0.000 . . . . . . A 9 ARG HA . 30068 1 15 . 1 1 21 21 ARG HB2 H 1 1.595 0.000 . . . . . . A 9 ARG HB2 . 30068 1 16 . 1 1 21 21 ARG HB3 H 1 1.721 0.000 . . . . . . A 9 ARG HB3 . 30068 1 17 . 1 1 21 21 ARG HG2 H 1 1.869 0.000 . . . . . . A 9 ARG HG2 . 30068 1 18 . 1 1 21 21 ARG HD2 H 1 3.156 0.000 . . . . . . A 9 ARG HD2 . 30068 1 19 . 1 1 21 21 ARG CA C 13 56.340 0.000 . . . . . . A 9 ARG CA . 30068 1 20 . 1 1 21 21 ARG CB C 13 30.530 0.000 . . . . . . A 9 ARG CB . 30068 1 21 . 1 1 21 21 ARG N N 15 120.440 0.000 . . . . . . A 9 ARG N . 30068 1 22 . 1 1 22 22 GLU H H 1 8.545 0.000 . . . . . . A 10 GLU H . 30068 1 23 . 1 1 22 22 GLU HA H 1 4.210 0.000 . . . . . . A 10 GLU HA . 30068 1 24 . 1 1 22 22 GLU HB2 H 1 1.937 0.000 . . . . . . A 10 GLU HB2 . 30068 1 25 . 1 1 22 22 GLU HB3 H 1 2.028 0.000 . . . . . . A 10 GLU HB3 . 30068 1 26 . 1 1 22 22 GLU HG2 H 1 2.267 0.000 . . . . . . A 10 GLU HG2 . 30068 1 27 . 1 1 22 22 GLU CA C 13 57.270 0.000 . . . . . . A 10 GLU CA . 30068 1 28 . 1 1 22 22 GLU CB C 13 29.780 0.000 . . . . . . A 10 GLU CB . 30068 1 29 . 1 1 22 22 GLU N N 15 121.130 0.000 . . . . . . A 10 GLU N . 30068 1 30 . 1 1 23 23 ASN H H 1 8.327 0.000 . . . . . . A 11 ASN H . 30068 1 31 . 1 1 23 23 ASN HA H 1 4.670 0.000 . . . . . . A 11 ASN HA . 30068 1 32 . 1 1 23 23 ASN HB2 H 1 2.710 0.000 . . . . . . A 11 ASN HB2 . 30068 1 33 . 1 1 23 23 ASN HB3 H 1 2.765 0.000 . . . . . . A 11 ASN HB3 . 30068 1 34 . 1 1 23 23 ASN HD21 H 1 7.498 0.000 . . . . . . A 11 ASN HD21 . 30068 1 35 . 1 1 23 23 ASN HD22 H 1 6.853 0.000 . . . . . . A 11 ASN HD22 . 30068 1 36 . 1 1 23 23 ASN CA C 13 53.450 0.000 . . . . . . A 11 ASN CA . 30068 1 37 . 1 1 23 23 ASN CB C 13 38.710 0.000 . . . . . . A 11 ASN CB . 30068 1 38 . 1 1 23 23 ASN N N 15 118.840 0.000 . . . . . . A 11 ASN N . 30068 1 39 . 1 1 24 24 LEU H H 1 7.983 0.000 . . . . . . A 12 LEU H . 30068 1 40 . 1 1 24 24 LEU HA H 1 4.192 0.000 . . . . . . A 12 LEU HA . 30068 1 41 . 1 1 24 24 LEU HB2 H 1 1.325 0.000 . . . . . . A 12 LEU HB2 . 30068 1 42 . 1 1 24 24 LEU HG H 1 1.431 0.000 . . . . . . A 12 LEU HG . 30068 1 43 . 1 1 24 24 LEU HD11 H 1 0.818 0.000 . . . . . . A 12 LEU HD11 . 30068 1 44 . 1 1 24 24 LEU HD12 H 1 0.818 0.000 . . . . . . A 12 LEU HD12 . 30068 1 45 . 1 1 24 24 LEU HD13 H 1 0.818 0.000 . . . . . . A 12 LEU HD13 . 30068 1 46 . 1 1 24 24 LEU HD21 H 1 0.752 0.000 . . . . . . A 12 LEU HD21 . 30068 1 47 . 1 1 24 24 LEU HD22 H 1 0.752 0.000 . . . . . . A 12 LEU HD22 . 30068 1 48 . 1 1 24 24 LEU HD23 H 1 0.752 0.000 . . . . . . A 12 LEU HD23 . 30068 1 49 . 1 1 24 24 LEU CA C 13 55.630 0.000 . . . . . . A 12 LEU CA . 30068 1 50 . 1 1 24 24 LEU CB C 13 42.260 0.000 . . . . . . A 12 LEU CB . 30068 1 51 . 1 1 24 24 LEU N N 15 121.880 0.000 . . . . . . A 12 LEU N . 30068 1 52 . 1 1 25 25 TYR H H 1 7.992 0.000 . . . . . . A 13 TYR H . 30068 1 53 . 1 1 25 25 TYR HA H 1 4.498 0.000 . . . . . . A 13 TYR HA . 30068 1 54 . 1 1 25 25 TYR HB2 H 1 2.843 0.000 . . . . . . A 13 TYR HB2 . 30068 1 55 . 1 1 25 25 TYR HB3 H 1 2.929 0.000 . . . . . . A 13 TYR HB3 . 30068 1 56 . 1 1 25 25 TYR HD1 H 1 6.973 0.000 . . . . . . A 13 TYR HD1 . 30068 1 57 . 1 1 25 25 TYR HD2 H 1 6.973 0.000 . . . . . . A 13 TYR HD2 . 30068 1 58 . 1 1 25 25 TYR HE1 H 1 6.747 0.000 . . . . . . A 13 TYR HE1 . 30068 1 59 . 1 1 25 25 TYR HE2 H 1 6.747 0.000 . . . . . . A 13 TYR HE2 . 30068 1 60 . 1 1 25 25 TYR CA C 13 57.930 0.000 . . . . . . A 13 TYR CA . 30068 1 61 . 1 1 25 25 TYR CB C 13 38.590 0.000 . . . . . . A 13 TYR CB . 30068 1 62 . 1 1 25 25 TYR N N 15 119.580 0.000 . . . . . . A 13 TYR N . 30068 1 63 . 1 1 26 26 PHE H H 1 8.004 0.000 . . . . . . A 14 PHE H . 30068 1 64 . 1 1 26 26 PHE HA H 1 4.540 0.000 . . . . . . A 14 PHE HA . 30068 1 65 . 1 1 26 26 PHE HB2 H 1 2.968 0.000 . . . . . . A 14 PHE HB2 . 30068 1 66 . 1 1 26 26 PHE HB3 H 1 3.047 0.000 . . . . . . A 14 PHE HB3 . 30068 1 67 . 1 1 26 26 PHE HD1 H 1 7.194 0.000 . . . . . . A 14 PHE HD1 . 30068 1 68 . 1 1 26 26 PHE HD2 H 1 7.194 0.000 . . . . . . A 14 PHE HD2 . 30068 1 69 . 1 1 26 26 PHE CA C 13 57.950 0.000 . . . . . . A 14 PHE CA . 30068 1 70 . 1 1 26 26 PHE CB C 13 39.510 0.000 . . . . . . A 14 PHE CB . 30068 1 71 . 1 1 26 26 PHE N N 15 121.210 0.000 . . . . . . A 14 PHE N . 30068 1 72 . 1 1 27 27 GLN H H 1 8.204 0.000 . . . . . . A 15 GLN H . 30068 1 73 . 1 1 27 27 GLN HA H 1 4.185 0.000 . . . . . . A 15 GLN HA . 30068 1 74 . 1 1 27 27 GLN HB2 H 1 1.884 0.000 . . . . . . A 15 GLN HB2 . 30068 1 75 . 1 1 27 27 GLN HB3 H 1 2.061 0.000 . . . . . . A 15 GLN HB3 . 30068 1 76 . 1 1 27 27 GLN HG2 H 1 2.240 0.000 . . . . . . A 15 GLN HG2 . 30068 1 77 . 1 1 27 27 GLN HE21 H 1 7.396 0.000 . . . . . . A 15 GLN HE21 . 30068 1 78 . 1 1 27 27 GLN HE22 H 1 6.802 0.000 . . . . . . A 15 GLN HE22 . 30068 1 79 . 1 1 27 27 GLN CA C 13 56.180 0.000 . . . . . . A 15 GLN CA . 30068 1 80 . 1 1 27 27 GLN CB C 13 29.110 0.000 . . . . . . A 15 GLN CB . 30068 1 81 . 1 1 27 27 GLN N N 15 121.890 0.000 . . . . . . A 15 GLN N . 30068 1 82 . 1 1 28 28 GLY H H 1 7.913 0.000 . . . . . . A 16 GLY H . 30068 1 83 . 1 1 28 28 GLY HA3 H 1 3.856 0.000 . . . . . . A 16 GLY HA3 . 30068 1 84 . 1 1 28 28 GLY CA C 13 45.310 0.000 . . . . . . A 16 GLY CA . 30068 1 85 . 1 1 28 28 GLY N N 15 108.480 0.000 . . . . . . A 16 GLY N . 30068 1 86 . 1 1 29 29 HIS H H 1 8.220 0.000 . . . . . . A 17 HIS H . 30068 1 87 . 1 1 29 29 HIS HA H 1 3.877 0.000 . . . . . . A 17 HIS HA . 30068 1 88 . 1 1 29 29 HIS HB2 H 1 3.094 0.000 . . . . . . A 17 HIS HB2 . 30068 1 89 . 1 1 29 29 HIS HB3 H 1 3.239 0.000 . . . . . . A 17 HIS HB3 . 30068 1 90 . 1 1 29 29 HIS CA C 13 55.430 0.000 . . . . . . A 17 HIS CA . 30068 1 91 . 1 1 29 29 HIS CB C 13 29.280 0.000 . . . . . . A 17 HIS CB . 30068 1 92 . 1 1 29 29 HIS N N 15 118.050 0.000 . . . . . . A 17 HIS N . 30068 1 93 . 1 1 30 30 MET H H 1 8.328 0.000 . . . . . . A 18 MET H . 30068 1 94 . 1 1 30 30 MET HA H 1 4.395 0.000 . . . . . . A 18 MET HA . 30068 1 95 . 1 1 30 30 MET HB2 H 1 1.931 0.000 . . . . . . A 18 MET HB2 . 30068 1 96 . 1 1 30 30 MET HB3 H 1 1.818 0.000 . . . . . . A 18 MET HB3 . 30068 1 97 . 1 1 30 30 MET HG2 H 1 2.036 0.000 . . . . . . A 18 MET HG2 . 30068 1 98 . 1 1 30 30 MET HG3 H 1 2.227 0.000 . . . . . . A 18 MET HG3 . 30068 1 99 . 1 1 30 30 MET HE1 H 1 2.460 0.000 . . . . . . A 18 MET HE1 . 30068 1 100 . 1 1 30 30 MET HE2 H 1 2.460 0.000 . . . . . . A 18 MET HE2 . 30068 1 101 . 1 1 30 30 MET HE3 H 1 2.460 0.000 . . . . . . A 18 MET HE3 . 30068 1 102 . 1 1 30 30 MET CA C 13 55.660 0.000 . . . . . . A 18 MET CA . 30068 1 103 . 1 1 30 30 MET CB C 13 32.740 0.000 . . . . . . A 18 MET CB . 30068 1 104 . 1 1 30 30 MET N N 15 121.570 0.000 . . . . . . A 18 MET N . 30068 1 105 . 1 1 31 31 ALA H H 1 8.227 0.000 . . . . . . A 19 ALA H . 30068 1 106 . 1 1 31 31 ALA HA H 1 3.839 0.000 . . . . . . A 19 ALA HA . 30068 1 107 . 1 1 31 31 ALA HB1 H 1 1.382 0.000 . . . . . . A 19 ALA HB1 . 30068 1 108 . 1 1 31 31 ALA HB2 H 1 1.382 0.000 . . . . . . A 19 ALA HB2 . 30068 1 109 . 1 1 31 31 ALA HB3 H 1 1.382 0.000 . . . . . . A 19 ALA HB3 . 30068 1 110 . 1 1 31 31 ALA CA C 13 51.870 0.000 . . . . . . A 19 ALA CA . 30068 1 111 . 1 1 31 31 ALA CB C 13 20.610 0.000 . . . . . . A 19 ALA CB . 30068 1 112 . 1 1 31 31 ALA N N 15 125.500 0.000 . . . . . . A 19 ALA N . 30068 1 113 . 1 1 32 32 ALA H H 1 8.029 0.000 . . . . . . A 20 ALA H . 30068 1 114 . 1 1 32 32 ALA HA H 1 4.564 0.000 . . . . . . A 20 ALA HA . 30068 1 115 . 1 1 32 32 ALA HB1 H 1 1.315 0.000 . . . . . . A 20 ALA HB1 . 30068 1 116 . 1 1 32 32 ALA HB2 H 1 1.315 0.000 . . . . . . A 20 ALA HB2 . 30068 1 117 . 1 1 32 32 ALA HB3 H 1 1.315 0.000 . . . . . . A 20 ALA HB3 . 30068 1 118 . 1 1 32 32 ALA CA C 13 50.280 0.000 . . . . . . A 20 ALA CA . 30068 1 119 . 1 1 32 32 ALA CB C 13 18.030 0.000 . . . . . . A 20 ALA CB . 30068 1 120 . 1 1 32 32 ALA N N 15 124.200 0.000 . . . . . . A 20 ALA N . 30068 1 121 . 1 1 33 33 PRO HA H 1 4.403 0.000 . . . . . . A 21 PRO HA . 30068 1 122 . 1 1 33 33 PRO HB2 H 1 1.851 0.000 . . . . . . A 21 PRO HB2 . 30068 1 123 . 1 1 33 33 PRO HB3 H 1 1.802 0.000 . . . . . . A 21 PRO HB3 . 30068 1 124 . 1 1 33 33 PRO HG2 H 1 2.000 0.000 . . . . . . A 21 PRO HG2 . 30068 1 125 . 1 1 33 33 PRO HG3 H 1 2.257 0.000 . . . . . . A 21 PRO HG3 . 30068 1 126 . 1 1 33 33 PRO HD2 H 1 3.670 0.000 . . . . . . A 21 PRO HD2 . 30068 1 127 . 1 1 33 33 PRO HD3 H 1 3.512 0.000 . . . . . . A 21 PRO HD3 . 30068 1 128 . 1 1 33 33 PRO CA C 13 62.770 0.000 . . . . . . A 21 PRO CA . 30068 1 129 . 1 1 33 33 PRO CB C 13 32.020 0.000 . . . . . . A 21 PRO CB . 30068 1 130 . 1 1 34 34 ALA H H 1 8.285 0.000 . . . . . . A 22 ALA H . 30068 1 131 . 1 1 34 34 ALA HA H 1 4.326 0.000 . . . . . . A 22 ALA HA . 30068 1 132 . 1 1 34 34 ALA HB1 H 1 1.415 0.000 . . . . . . A 22 ALA HB1 . 30068 1 133 . 1 1 34 34 ALA HB2 H 1 1.415 0.000 . . . . . . A 22 ALA HB2 . 30068 1 134 . 1 1 34 34 ALA HB3 H 1 1.415 0.000 . . . . . . A 22 ALA HB3 . 30068 1 135 . 1 1 34 34 ALA CA C 13 52.490 0.000 . . . . . . A 22 ALA CA . 30068 1 136 . 1 1 34 34 ALA CB C 13 19.750 0.000 . . . . . . A 22 ALA CB . 30068 1 137 . 1 1 34 34 ALA N N 15 124.070 0.000 . . . . . . A 22 ALA N . 30068 1 138 . 1 1 35 35 ARG H H 1 8.884 0.000 . . . . . . A 23 ARG H . 30068 1 139 . 1 1 35 35 ARG HA H 1 4.561 0.000 . . . . . . A 23 ARG HA . 30068 1 140 . 1 1 35 35 ARG HB2 H 1 1.921 0.000 . . . . . . A 23 ARG HB2 . 30068 1 141 . 1 1 35 35 ARG HB3 H 1 1.999 0.000 . . . . . . A 23 ARG HB3 . 30068 1 142 . 1 1 35 35 ARG HG2 H 1 1.416 0.000 . . . . . . A 23 ARG HG2 . 30068 1 143 . 1 1 35 35 ARG HG3 H 1 1.724 0.000 . . . . . . A 23 ARG HG3 . 30068 1 144 . 1 1 35 35 ARG HD2 H 1 3.213 0.000 . . . . . . A 23 ARG HD2 . 30068 1 145 . 1 1 35 35 ARG CA C 13 55.960 0.000 . . . . . . A 23 ARG CA . 30068 1 146 . 1 1 35 35 ARG CB C 13 32.100 0.000 . . . . . . A 23 ARG CB . 30068 1 147 . 1 1 35 35 ARG N N 15 119.490 0.000 . . . . . . A 23 ARG N . 30068 1 148 . 1 1 36 36 SER H H 1 8.700 0.000 . . . . . . A 24 SER H . 30068 1 149 . 1 1 36 36 SER HA H 1 5.458 0.000 . . . . . . A 24 SER HA . 30068 1 150 . 1 1 36 36 SER HB2 H 1 3.845 0.000 . . . . . . A 24 SER HB2 . 30068 1 151 . 1 1 36 36 SER HB3 H 1 4.401 0.000 . . . . . . A 24 SER HB3 . 30068 1 152 . 1 1 36 36 SER CA C 13 57.920 0.000 . . . . . . A 24 SER CA . 30068 1 153 . 1 1 36 36 SER CB C 13 67.150 0.000 . . . . . . A 24 SER CB . 30068 1 154 . 1 1 36 36 SER N N 15 116.310 0.000 . . . . . . A 24 SER N . 30068 1 155 . 1 1 37 37 CYS H H 1 9.232 0.000 . . . . . . A 25 CYS H . 30068 1 156 . 1 1 37 37 CYS HA H 1 5.369 0.000 . . . . . . A 25 CYS HA . 30068 1 157 . 1 1 37 37 CYS HB2 H 1 2.273 0.000 . . . . . . A 25 CYS HB2 . 30068 1 158 . 1 1 37 37 CYS HB3 H 1 2.439 0.000 . . . . . . A 25 CYS HB3 . 30068 1 159 . 1 1 37 37 CYS CA C 13 53.340 0.000 . . . . . . A 25 CYS CA . 30068 1 160 . 1 1 37 37 CYS CB C 13 40.080 0.000 . . . . . . A 25 CYS CB . 30068 1 161 . 1 1 37 37 CYS N N 15 118.100 0.000 . . . . . . A 25 CYS N . 30068 1 162 . 1 1 38 38 VAL H H 1 9.392 0.000 . . . . . . A 26 VAL H . 30068 1 163 . 1 1 38 38 VAL HA H 1 4.503 0.000 . . . . . . A 26 VAL HA . 30068 1 164 . 1 1 38 38 VAL HB H 1 1.618 0.000 . . . . . . A 26 VAL HB . 30068 1 165 . 1 1 38 38 VAL HG11 H 1 0.487 0.000 . . . . . . A 26 VAL HG11 . 30068 1 166 . 1 1 38 38 VAL HG12 H 1 0.487 0.000 . . . . . . A 26 VAL HG12 . 30068 1 167 . 1 1 38 38 VAL HG13 H 1 0.487 0.000 . . . . . . A 26 VAL HG13 . 30068 1 168 . 1 1 38 38 VAL HG21 H 1 0.191 0.000 . . . . . . A 26 VAL HG21 . 30068 1 169 . 1 1 38 38 VAL HG22 H 1 0.191 0.000 . . . . . . A 26 VAL HG22 . 30068 1 170 . 1 1 38 38 VAL HG23 H 1 0.191 0.000 . . . . . . A 26 VAL HG23 . 30068 1 171 . 1 1 38 38 VAL CA C 13 59.750 0.000 . . . . . . A 26 VAL CA . 30068 1 172 . 1 1 38 38 VAL CB C 13 33.310 0.000 . . . . . . A 26 VAL CB . 30068 1 173 . 1 1 38 38 VAL N N 15 124.580 0.000 . . . . . . A 26 VAL N . 30068 1 174 . 1 1 39 39 TYR H H 1 8.168 0.000 . . . . . . A 27 TYR H . 30068 1 175 . 1 1 39 39 TYR HA H 1 5.131 0.000 . . . . . . A 27 TYR HA . 30068 1 176 . 1 1 39 39 TYR HB2 H 1 2.661 0.000 . . . . . . A 27 TYR HB2 . 30068 1 177 . 1 1 39 39 TYR HB3 H 1 2.630 0.000 . . . . . . A 27 TYR HB3 . 30068 1 178 . 1 1 39 39 TYR HD1 H 1 6.791 0.000 . . . . . . A 27 TYR HD1 . 30068 1 179 . 1 1 39 39 TYR HD2 H 1 6.791 0.000 . . . . . . A 27 TYR HD2 . 30068 1 180 . 1 1 39 39 TYR HE1 H 1 6.360 0.000 . . . . . . A 27 TYR HE1 . 30068 1 181 . 1 1 39 39 TYR HE2 H 1 6.360 0.000 . . . . . . A 27 TYR HE2 . 30068 1 182 . 1 1 39 39 TYR CA C 13 56.920 0.000 . . . . . . A 27 TYR CA . 30068 1 183 . 1 1 39 39 TYR CB C 13 41.050 0.000 . . . . . . A 27 TYR CB . 30068 1 184 . 1 1 39 39 TYR N N 15 123.350 0.000 . . . . . . A 27 TYR N . 30068 1 185 . 1 1 40 40 TYR H H 1 9.432 0.000 . . . . . . A 28 TYR H . 30068 1 186 . 1 1 40 40 TYR HA H 1 5.281 0.000 . . . . . . A 28 TYR HA . 30068 1 187 . 1 1 40 40 TYR HB2 H 1 2.719 0.000 . . . . . . A 28 TYR HB2 . 30068 1 188 . 1 1 40 40 TYR HB3 H 1 2.564 0.000 . . . . . . A 28 TYR HB3 . 30068 1 189 . 1 1 40 40 TYR HD1 H 1 6.546 0.000 . . . . . . A 28 TYR HD1 . 30068 1 190 . 1 1 40 40 TYR HD2 H 1 6.546 0.000 . . . . . . A 28 TYR HD2 . 30068 1 191 . 1 1 40 40 TYR HE1 H 1 6.438 0.000 . . . . . . A 28 TYR HE1 . 30068 1 192 . 1 1 40 40 TYR HE2 H 1 6.438 0.000 . . . . . . A 28 TYR HE2 . 30068 1 193 . 1 1 40 40 TYR CA C 13 56.760 0.000 . . . . . . A 28 TYR CA . 30068 1 194 . 1 1 40 40 TYR CB C 13 44.010 0.000 . . . . . . A 28 TYR CB . 30068 1 195 . 1 1 40 40 TYR N N 15 119.710 0.000 . . . . . . A 28 TYR N . 30068 1 196 . 1 1 41 41 ASP H H 1 8.967 0.000 . . . . . . A 29 ASP H . 30068 1 197 . 1 1 41 41 ASP HA H 1 5.251 0.000 . . . . . . A 29 ASP HA . 30068 1 198 . 1 1 41 41 ASP HB2 H 1 2.541 0.000 . . . . . . A 29 ASP HB2 . 30068 1 199 . 1 1 41 41 ASP HB3 H 1 3.011 0.000 . . . . . . A 29 ASP HB3 . 30068 1 200 . 1 1 41 41 ASP CA C 13 52.800 0.000 . . . . . . A 29 ASP CA . 30068 1 201 . 1 1 41 41 ASP CB C 13 41.490 0.000 . . . . . . A 29 ASP CB . 30068 1 202 . 1 1 41 41 ASP N N 15 118.570 0.000 . . . . . . A 29 ASP N . 30068 1 203 . 1 1 42 42 GLY H H 1 9.056 0.000 . . . . . . A 30 GLY H . 30068 1 204 . 1 1 42 42 GLY HA2 H 1 3.724 0.000 . . . . . . A 30 GLY HA2 . 30068 1 205 . 1 1 42 42 GLY HA3 H 1 4.734 0.000 . . . . . . A 30 GLY HA3 . 30068 1 206 . 1 1 42 42 GLY CA C 13 44.200 0.000 . . . . . . A 30 GLY CA . 30068 1 207 . 1 1 42 42 GLY N N 15 114.970 0.000 . . . . . . A 30 GLY N . 30068 1 208 . 1 1 43 43 HIS H H 1 7.986 0.000 . . . . . . A 31 HIS H . 30068 1 209 . 1 1 43 43 HIS HA H 1 4.434 0.000 . . . . . . A 31 HIS HA . 30068 1 210 . 1 1 43 43 HIS HB2 H 1 2.767 0.000 . . . . . . A 31 HIS HB2 . 30068 1 211 . 1 1 43 43 HIS HB3 H 1 3.155 0.000 . . . . . . A 31 HIS HB3 . 30068 1 212 . 1 1 43 43 HIS HD2 H 1 7.029 0.000 . . . . . . A 31 HIS HD2 . 30068 1 213 . 1 1 43 43 HIS HE1 H 1 8.548 0.000 . . . . . . A 31 HIS HE1 . 30068 1 214 . 1 1 43 43 HIS CA C 13 56.970 0.000 . . . . . . A 31 HIS CA . 30068 1 215 . 1 1 43 43 HIS CB C 13 33.370 0.000 . . . . . . A 31 HIS CB . 30068 1 216 . 1 1 43 43 HIS N N 15 115.050 0.000 . . . . . . A 31 HIS N . 30068 1 217 . 1 1 44 44 LEU H H 1 8.445 0.000 . . . . . . A 32 LEU H . 30068 1 218 . 1 1 44 44 LEU HA H 1 4.805 0.000 . . . . . . A 32 LEU HA . 30068 1 219 . 1 1 44 44 LEU HB2 H 1 1.730 0.000 . . . . . . A 32 LEU HB2 . 30068 1 220 . 1 1 44 44 LEU HB3 H 1 1.754 0.000 . . . . . . A 32 LEU HB3 . 30068 1 221 . 1 1 44 44 LEU HG H 1 1.556 0.000 . . . . . . A 32 LEU HG . 30068 1 222 . 1 1 44 44 LEU HD11 H 1 0.954 0.000 . . . . . . A 32 LEU HD11 . 30068 1 223 . 1 1 44 44 LEU HD12 H 1 0.954 0.000 . . . . . . A 32 LEU HD12 . 30068 1 224 . 1 1 44 44 LEU HD13 H 1 0.954 0.000 . . . . . . A 32 LEU HD13 . 30068 1 225 . 1 1 44 44 LEU HD21 H 1 0.913 0.000 . . . . . . A 32 LEU HD21 . 30068 1 226 . 1 1 44 44 LEU HD22 H 1 0.913 0.000 . . . . . . A 32 LEU HD22 . 30068 1 227 . 1 1 44 44 LEU HD23 H 1 0.913 0.000 . . . . . . A 32 LEU HD23 . 30068 1 228 . 1 1 44 44 LEU CA C 13 51.910 0.000 . . . . . . A 32 LEU CA . 30068 1 229 . 1 1 44 44 LEU CB C 13 41.680 0.000 . . . . . . A 32 LEU CB . 30068 1 230 . 1 1 44 44 LEU N N 15 123.910 0.000 . . . . . . A 32 LEU N . 30068 1 231 . 1 1 45 45 PRO HA H 1 3.752 0.000 . . . . . . A 33 PRO HA . 30068 1 232 . 1 1 45 45 PRO HB2 H 1 1.808 0.000 . . . . . . A 33 PRO HB2 . 30068 1 233 . 1 1 45 45 PRO HB3 H 1 1.908 0.000 . . . . . . A 33 PRO HB3 . 30068 1 234 . 1 1 45 45 PRO HG2 H 1 2.137 0.000 . . . . . . A 33 PRO HG2 . 30068 1 235 . 1 1 45 45 PRO HG3 H 1 2.224 0.000 . . . . . . A 33 PRO HG3 . 30068 1 236 . 1 1 45 45 PRO HD2 H 1 3.821 0.000 . . . . . . A 33 PRO HD2 . 30068 1 237 . 1 1 45 45 PRO HD3 H 1 4.081 0.000 . . . . . . A 33 PRO HD3 . 30068 1 238 . 1 1 45 45 PRO CA C 13 65.500 0.000 . . . . . . A 33 PRO CA . 30068 1 239 . 1 1 45 45 PRO CB C 13 31.960 0.000 . . . . . . A 33 PRO CB . 30068 1 240 . 1 1 46 46 ALA H H 1 8.168 0.000 . . . . . . A 34 ALA H . 30068 1 241 . 1 1 46 46 ALA HA H 1 4.191 0.000 . . . . . . A 34 ALA HA . 30068 1 242 . 1 1 46 46 ALA HB1 H 1 1.453 0.000 . . . . . . A 34 ALA HB1 . 30068 1 243 . 1 1 46 46 ALA HB2 H 1 1.453 0.000 . . . . . . A 34 ALA HB2 . 30068 1 244 . 1 1 46 46 ALA HB3 H 1 1.453 0.000 . . . . . . A 34 ALA HB3 . 30068 1 245 . 1 1 46 46 ALA CA C 13 54.540 0.000 . . . . . . A 34 ALA CA . 30068 1 246 . 1 1 46 46 ALA CB C 13 19.520 0.000 . . . . . . A 34 ALA CB . 30068 1 247 . 1 1 46 46 ALA N N 15 115.220 0.000 . . . . . . A 34 ALA N . 30068 1 248 . 1 1 47 47 THR H H 1 7.204 0.000 . . . . . . A 35 THR H . 30068 1 249 . 1 1 47 47 THR HA H 1 4.597 0.000 . . . . . . A 35 THR HA . 30068 1 250 . 1 1 47 47 THR HB H 1 4.398 0.000 . . . . . . A 35 THR HB . 30068 1 251 . 1 1 47 47 THR HG21 H 1 1.090 0.000 . . . . . . A 35 THR HG21 . 30068 1 252 . 1 1 47 47 THR HG22 H 1 1.090 0.000 . . . . . . A 35 THR HG22 . 30068 1 253 . 1 1 47 47 THR HG23 H 1 1.090 0.000 . . . . . . A 35 THR HG23 . 30068 1 254 . 1 1 47 47 THR CA C 13 60.400 0.000 . . . . . . A 35 THR CA . 30068 1 255 . 1 1 47 47 THR CB C 13 70.500 0.000 . . . . . . A 35 THR CB . 30068 1 256 . 1 1 47 47 THR N N 15 102.150 0.000 . . . . . . A 35 THR N . 30068 1 257 . 1 1 48 48 ARG H H 1 7.932 0.000 . . . . . . A 36 ARG H . 30068 1 258 . 1 1 48 48 ARG HA H 1 4.748 0.000 . . . . . . A 36 ARG HA . 30068 1 259 . 1 1 48 48 ARG HB2 H 1 1.493 0.000 . . . . . . A 36 ARG HB2 . 30068 1 260 . 1 1 48 48 ARG HB3 H 1 1.387 0.000 . . . . . . A 36 ARG HB3 . 30068 1 261 . 1 1 48 48 ARG HG2 H 1 1.722 0.000 . . . . . . A 36 ARG HG2 . 30068 1 262 . 1 1 48 48 ARG HG3 H 1 1.817 0.000 . . . . . . A 36 ARG HG3 . 30068 1 263 . 1 1 48 48 ARG HD2 H 1 3.752 0.000 . . . . . . A 36 ARG HD2 . 30068 1 264 . 1 1 48 48 ARG HE H 1 6.638 0.000 . . . . . . A 36 ARG HE . 30068 1 265 . 1 1 48 48 ARG CA C 13 56.090 0.000 . . . . . . A 36 ARG CA . 30068 1 266 . 1 1 48 48 ARG CB C 13 30.110 0.000 . . . . . . A 36 ARG CB . 30068 1 267 . 1 1 48 48 ARG N N 15 122.630 0.000 . . . . . . A 36 ARG N . 30068 1 268 . 1 1 49 49 VAL H H 1 8.606 0.000 . . . . . . A 37 VAL H . 30068 1 269 . 1 1 49 49 VAL HA H 1 4.330 0.000 . . . . . . A 37 VAL HA . 30068 1 270 . 1 1 49 49 VAL HB H 1 2.125 0.000 . . . . . . A 37 VAL HB . 30068 1 271 . 1 1 49 49 VAL HG11 H 1 1.005 0.000 . . . . . . A 37 VAL HG11 . 30068 1 272 . 1 1 49 49 VAL HG12 H 1 1.005 0.000 . . . . . . A 37 VAL HG12 . 30068 1 273 . 1 1 49 49 VAL HG13 H 1 1.005 0.000 . . . . . . A 37 VAL HG13 . 30068 1 274 . 1 1 49 49 VAL HG21 H 1 1.078 0.000 . . . . . . A 37 VAL HG21 . 30068 1 275 . 1 1 49 49 VAL HG22 H 1 1.078 0.000 . . . . . . A 37 VAL HG22 . 30068 1 276 . 1 1 49 49 VAL HG23 H 1 1.078 0.000 . . . . . . A 37 VAL HG23 . 30068 1 277 . 1 1 49 49 VAL CA C 13 61.340 0.000 . . . . . . A 37 VAL CA . 30068 1 278 . 1 1 49 49 VAL CB C 13 35.270 0.000 . . . . . . A 37 VAL CB . 30068 1 279 . 1 1 49 49 VAL N N 15 122.190 0.000 . . . . . . A 37 VAL N . 30068 1 280 . 1 1 50 50 LEU H H 1 8.678 0.000 . . . . . . A 38 LEU H . 30068 1 281 . 1 1 50 50 LEU HA H 1 3.834 0.000 . . . . . . A 38 LEU HA . 30068 1 282 . 1 1 50 50 LEU HB2 H 1 1.648 0.000 . . . . . . A 38 LEU HB2 . 30068 1 283 . 1 1 50 50 LEU HB3 H 1 1.560 0.000 . . . . . . A 38 LEU HB3 . 30068 1 284 . 1 1 50 50 LEU HG H 1 0.921 0.000 . . . . . . A 38 LEU HG . 30068 1 285 . 1 1 50 50 LEU HD11 H 1 0.498 0.000 . . . . . . A 38 LEU HD11 . 30068 1 286 . 1 1 50 50 LEU HD12 H 1 0.498 0.000 . . . . . . A 38 LEU HD12 . 30068 1 287 . 1 1 50 50 LEU HD13 H 1 0.498 0.000 . . . . . . A 38 LEU HD13 . 30068 1 288 . 1 1 50 50 LEU HD21 H 1 0.581 0.000 . . . . . . A 38 LEU HD21 . 30068 1 289 . 1 1 50 50 LEU HD22 H 1 0.581 0.000 . . . . . . A 38 LEU HD22 . 30068 1 290 . 1 1 50 50 LEU HD23 H 1 0.581 0.000 . . . . . . A 38 LEU HD23 . 30068 1 291 . 1 1 50 50 LEU CA C 13 57.370 0.000 . . . . . . A 38 LEU CA . 30068 1 292 . 1 1 50 50 LEU CB C 13 42.000 0.000 . . . . . . A 38 LEU CB . 30068 1 293 . 1 1 50 50 LEU N N 15 130.540 0.000 . . . . . . A 38 LEU N . 30068 1 294 . 1 1 51 51 LEU H H 1 9.248 0.000 . . . . . . A 39 LEU H . 30068 1 295 . 1 1 51 51 LEU HA H 1 4.610 0.000 . . . . . . A 39 LEU HA . 30068 1 296 . 1 1 51 51 LEU HB2 H 1 1.427 0.000 . . . . . . A 39 LEU HB2 . 30068 1 297 . 1 1 51 51 LEU HB3 H 1 1.563 0.000 . . . . . . A 39 LEU HB3 . 30068 1 298 . 1 1 51 51 LEU HG H 1 1.893 0.000 . . . . . . A 39 LEU HG . 30068 1 299 . 1 1 51 51 LEU HD11 H 1 0.850 0.000 . . . . . . A 39 LEU HD11 . 30068 1 300 . 1 1 51 51 LEU HD12 H 1 0.850 0.000 . . . . . . A 39 LEU HD12 . 30068 1 301 . 1 1 51 51 LEU HD13 H 1 0.850 0.000 . . . . . . A 39 LEU HD13 . 30068 1 302 . 1 1 51 51 LEU HD21 H 1 1.002 0.000 . . . . . . A 39 LEU HD21 . 30068 1 303 . 1 1 51 51 LEU HD22 H 1 1.002 0.000 . . . . . . A 39 LEU HD22 . 30068 1 304 . 1 1 51 51 LEU HD23 H 1 1.002 0.000 . . . . . . A 39 LEU HD23 . 30068 1 305 . 1 1 51 51 LEU CA C 13 55.730 0.000 . . . . . . A 39 LEU CA . 30068 1 306 . 1 1 51 51 LEU CB C 13 42.670 0.000 . . . . . . A 39 LEU CB . 30068 1 307 . 1 1 51 51 LEU N N 15 126.520 0.000 . . . . . . A 39 LEU N . 30068 1 308 . 1 1 52 52 MET H H 1 7.064 0.000 . . . . . . A 40 MET H . 30068 1 309 . 1 1 52 52 MET HA H 1 4.488 0.000 . . . . . . A 40 MET HA . 30068 1 310 . 1 1 52 52 MET HB2 H 1 2.074 0.000 . . . . . . A 40 MET HB2 . 30068 1 311 . 1 1 52 52 MET HB3 H 1 1.783 0.000 . . . . . . A 40 MET HB3 . 30068 1 312 . 1 1 52 52 MET HG2 H 1 2.387 0.000 . . . . . . A 40 MET HG2 . 30068 1 313 . 1 1 52 52 MET HE1 H 1 2.113 0.000 . . . . . . A 40 MET HE1 . 30068 1 314 . 1 1 52 52 MET HE2 H 1 2.113 0.000 . . . . . . A 40 MET HE2 . 30068 1 315 . 1 1 52 52 MET HE3 H 1 2.113 0.000 . . . . . . A 40 MET HE3 . 30068 1 316 . 1 1 52 52 MET CA C 13 55.760 0.000 . . . . . . A 40 MET CA . 30068 1 317 . 1 1 52 52 MET CB C 13 36.390 0.000 . . . . . . A 40 MET CB . 30068 1 318 . 1 1 52 52 MET N N 15 114.140 0.000 . . . . . . A 40 MET N . 30068 1 319 . 1 1 53 53 TYR H H 1 8.384 0.000 . . . . . . A 41 TYR H . 30068 1 320 . 1 1 53 53 TYR HA H 1 5.127 0.000 . . . . . . A 41 TYR HA . 30068 1 321 . 1 1 53 53 TYR HB2 H 1 2.664 0.000 . . . . . . A 41 TYR HB2 . 30068 1 322 . 1 1 53 53 TYR HB3 H 1 2.937 0.000 . . . . . . A 41 TYR HB3 . 30068 1 323 . 1 1 53 53 TYR HD1 H 1 6.856 0.000 . . . . . . A 41 TYR HD1 . 30068 1 324 . 1 1 53 53 TYR HD2 H 1 6.856 0.000 . . . . . . A 41 TYR HD2 . 30068 1 325 . 1 1 53 53 TYR HE1 H 1 6.202 0.000 . . . . . . A 41 TYR HE1 . 30068 1 326 . 1 1 53 53 TYR HE2 H 1 6.202 0.000 . . . . . . A 41 TYR HE2 . 30068 1 327 . 1 1 53 53 TYR CA C 13 57.390 0.000 . . . . . . A 41 TYR CA . 30068 1 328 . 1 1 53 53 TYR CB C 13 40.320 0.000 . . . . . . A 41 TYR CB . 30068 1 329 . 1 1 53 53 TYR N N 15 121.720 0.000 . . . . . . A 41 TYR N . 30068 1 330 . 1 1 54 54 VAL H H 1 9.369 0.000 . . . . . . A 42 VAL H . 30068 1 331 . 1 1 54 54 VAL HA H 1 4.293 0.000 . . . . . . A 42 VAL HA . 30068 1 332 . 1 1 54 54 VAL HB H 1 2.053 0.000 . . . . . . A 42 VAL HB . 30068 1 333 . 1 1 54 54 VAL HG11 H 1 0.877 0.000 . . . . . . A 42 VAL HG11 . 30068 1 334 . 1 1 54 54 VAL HG12 H 1 0.877 0.000 . . . . . . A 42 VAL HG12 . 30068 1 335 . 1 1 54 54 VAL HG13 H 1 0.877 0.000 . . . . . . A 42 VAL HG13 . 30068 1 336 . 1 1 54 54 VAL HG21 H 1 0.628 0.000 . . . . . . A 42 VAL HG21 . 30068 1 337 . 1 1 54 54 VAL HG22 H 1 0.628 0.000 . . . . . . A 42 VAL HG22 . 30068 1 338 . 1 1 54 54 VAL HG23 H 1 0.628 0.000 . . . . . . A 42 VAL HG23 . 30068 1 339 . 1 1 54 54 VAL CA C 13 61.250 0.000 . . . . . . A 42 VAL CA . 30068 1 340 . 1 1 54 54 VAL CB C 13 35.750 0.000 . . . . . . A 42 VAL CB . 30068 1 341 . 1 1 54 54 VAL N N 15 122.970 0.000 . . . . . . A 42 VAL N . 30068 1 342 . 1 1 55 55 ARG H H 1 8.765 0.000 . . . . . . A 43 ARG H . 30068 1 343 . 1 1 55 55 ARG HA H 1 4.401 0.000 . . . . . . A 43 ARG HA . 30068 1 344 . 1 1 55 55 ARG HB2 H 1 1.781 0.000 . . . . . . A 43 ARG HB2 . 30068 1 345 . 1 1 55 55 ARG HG2 H 1 1.454 0.000 . . . . . . A 43 ARG HG2 . 30068 1 346 . 1 1 55 55 ARG HD2 H 1 3.255 0.000 . . . . . . A 43 ARG HD2 . 30068 1 347 . 1 1 55 55 ARG HE H 1 7.199 0.000 . . . . . . A 43 ARG HE . 30068 1 348 . 1 1 55 55 ARG CA C 13 56.660 0.000 . . . . . . A 43 ARG CA . 30068 1 349 . 1 1 55 55 ARG CB C 13 30.110 0.000 . . . . . . A 43 ARG CB . 30068 1 350 . 1 1 55 55 ARG N N 15 128.480 0.000 . . . . . . A 43 ARG N . 30068 1 351 . 1 1 56 56 ILE H H 1 8.337 0.000 . . . . . . A 44 ILE H . 30068 1 352 . 1 1 56 56 ILE HA H 1 3.749 0.000 . . . . . . A 44 ILE HA . 30068 1 353 . 1 1 56 56 ILE HB H 1 1.351 0.000 . . . . . . A 44 ILE HB . 30068 1 354 . 1 1 56 56 ILE HG12 H 1 1.389 0.000 . . . . . . A 44 ILE HG12 . 30068 1 355 . 1 1 56 56 ILE HG13 H 1 0.816 0.000 . . . . . . A 44 ILE HG13 . 30068 1 356 . 1 1 56 56 ILE HG21 H 1 0.673 0.000 . . . . . . A 44 ILE HG21 . 30068 1 357 . 1 1 56 56 ILE HG22 H 1 0.673 0.000 . . . . . . A 44 ILE HG22 . 30068 1 358 . 1 1 56 56 ILE HG23 H 1 0.673 0.000 . . . . . . A 44 ILE HG23 . 30068 1 359 . 1 1 56 56 ILE HD11 H 1 0.544 0.000 . . . . . . A 44 ILE HD11 . 30068 1 360 . 1 1 56 56 ILE HD12 H 1 0.544 0.000 . . . . . . A 44 ILE HD12 . 30068 1 361 . 1 1 56 56 ILE HD13 H 1 0.544 0.000 . . . . . . A 44 ILE HD13 . 30068 1 362 . 1 1 56 56 ILE CA C 13 64.420 0.000 . . . . . . A 44 ILE CA . 30068 1 363 . 1 1 56 56 ILE CB C 13 37.080 0.000 . . . . . . A 44 ILE CB . 30068 1 364 . 1 1 56 56 ILE N N 15 124.750 0.000 . . . . . . A 44 ILE N . 30068 1 365 . 1 1 57 57 GLY H H 1 9.363 0.000 . . . . . . A 45 GLY H . 30068 1 366 . 1 1 57 57 GLY HA2 H 1 3.818 0.000 . . . . . . A 45 GLY HA2 . 30068 1 367 . 1 1 57 57 GLY HA3 H 1 4.453 0.000 . . . . . . A 45 GLY HA3 . 30068 1 368 . 1 1 57 57 GLY CA C 13 44.450 0.000 . . . . . . A 45 GLY CA . 30068 1 369 . 1 1 57 57 GLY N N 15 116.450 0.000 . . . . . . A 45 GLY N . 30068 1 370 . 1 1 58 58 ASN H H 1 8.305 0.000 . . . . . . A 46 ASN H . 30068 1 371 . 1 1 58 58 ASN HA H 1 5.199 0.000 . . . . . . A 46 ASN HA . 30068 1 372 . 1 1 58 58 ASN HB2 H 1 3.187 0.000 . . . . . . A 46 ASN HB2 . 30068 1 373 . 1 1 58 58 ASN HB3 H 1 2.898 0.000 . . . . . . A 46 ASN HB3 . 30068 1 374 . 1 1 58 58 ASN CA C 13 51.690 0.000 . . . . . . A 46 ASN CA . 30068 1 375 . 1 1 58 58 ASN CB C 13 41.130 0.000 . . . . . . A 46 ASN CB . 30068 1 376 . 1 1 58 58 ASN N N 15 120.030 0.000 . . . . . . A 46 ASN N . 30068 1 377 . 1 1 59 59 THR H H 1 7.913 0.000 . . . . . . A 47 THR H . 30068 1 378 . 1 1 59 59 THR HA H 1 5.371 0.000 . . . . . . A 47 THR HA . 30068 1 379 . 1 1 59 59 THR HB H 1 4.043 0.000 . . . . . . A 47 THR HB . 30068 1 380 . 1 1 59 59 THR HG21 H 1 1.067 0.000 . . . . . . A 47 THR HG21 . 30068 1 381 . 1 1 59 59 THR HG22 H 1 1.067 0.000 . . . . . . A 47 THR HG22 . 30068 1 382 . 1 1 59 59 THR HG23 H 1 1.067 0.000 . . . . . . A 47 THR HG23 . 30068 1 383 . 1 1 59 59 THR CA C 13 59.430 0.000 . . . . . . A 47 THR CA . 30068 1 384 . 1 1 59 59 THR CB C 13 71.580 0.000 . . . . . . A 47 THR CB . 30068 1 385 . 1 1 59 59 THR N N 15 109.290 0.000 . . . . . . A 47 THR N . 30068 1 386 . 1 1 60 60 ALA H H 1 8.644 0.000 . . . . . . A 48 ALA H . 30068 1 387 . 1 1 60 60 ALA HA H 1 4.593 0.000 . . . . . . A 48 ALA HA . 30068 1 388 . 1 1 60 60 ALA HB1 H 1 1.260 0.000 . . . . . . A 48 ALA HB1 . 30068 1 389 . 1 1 60 60 ALA HB2 H 1 1.260 0.000 . . . . . . A 48 ALA HB2 . 30068 1 390 . 1 1 60 60 ALA HB3 H 1 1.260 0.000 . . . . . . A 48 ALA HB3 . 30068 1 391 . 1 1 60 60 ALA CA C 13 51.970 0.000 . . . . . . A 48 ALA CA . 30068 1 392 . 1 1 60 60 ALA CB C 13 24.500 0.000 . . . . . . A 48 ALA CB . 30068 1 393 . 1 1 60 60 ALA N N 15 122.350 0.000 . . . . . . A 48 ALA N . 30068 1 394 . 1 1 61 61 THR H H 1 8.325 0.000 . . . . . . A 49 THR H . 30068 1 395 . 1 1 61 61 THR HA H 1 4.909 0.000 . . . . . . A 49 THR HA . 30068 1 396 . 1 1 61 61 THR HB H 1 3.901 0.000 . . . . . . A 49 THR HB . 30068 1 397 . 1 1 61 61 THR HG21 H 1 0.999 0.000 . . . . . . A 49 THR HG21 . 30068 1 398 . 1 1 61 61 THR HG22 H 1 0.999 0.000 . . . . . . A 49 THR HG22 . 30068 1 399 . 1 1 61 61 THR HG23 H 1 0.999 0.000 . . . . . . A 49 THR HG23 . 30068 1 400 . 1 1 61 61 THR CA C 13 62.140 0.000 . . . . . . A 49 THR CA . 30068 1 401 . 1 1 61 61 THR CB C 13 69.180 0.000 . . . . . . A 49 THR CB . 30068 1 402 . 1 1 61 61 THR N N 15 116.080 0.000 . . . . . . A 49 THR N . 30068 1 403 . 1 1 62 62 ILE H H 1 9.201 0.000 . . . . . . A 50 ILE H . 30068 1 404 . 1 1 62 62 ILE HA H 1 4.342 0.000 . . . . . . A 50 ILE HA . 30068 1 405 . 1 1 62 62 ILE HB H 1 1.692 0.000 . . . . . . A 50 ILE HB . 30068 1 406 . 1 1 62 62 ILE HG12 H 1 1.317 0.000 . . . . . . A 50 ILE HG12 . 30068 1 407 . 1 1 62 62 ILE HG13 H 1 0.951 0.000 . . . . . . A 50 ILE HG13 . 30068 1 408 . 1 1 62 62 ILE HG21 H 1 0.744 0.000 . . . . . . A 50 ILE HG21 . 30068 1 409 . 1 1 62 62 ILE HG22 H 1 0.744 0.000 . . . . . . A 50 ILE HG22 . 30068 1 410 . 1 1 62 62 ILE HG23 H 1 0.744 0.000 . . . . . . A 50 ILE HG23 . 30068 1 411 . 1 1 62 62 ILE HD11 H 1 0.347 0.000 . . . . . . A 50 ILE HD11 . 30068 1 412 . 1 1 62 62 ILE HD12 H 1 0.347 0.000 . . . . . . A 50 ILE HD12 . 30068 1 413 . 1 1 62 62 ILE HD13 H 1 0.347 0.000 . . . . . . A 50 ILE HD13 . 30068 1 414 . 1 1 62 62 ILE CA C 13 59.520 0.000 . . . . . . A 50 ILE CA . 30068 1 415 . 1 1 62 62 ILE CB C 13 40.670 0.000 . . . . . . A 50 ILE CB . 30068 1 416 . 1 1 62 62 ILE N N 15 126.740 0.000 . . . . . . A 50 ILE N . 30068 1 417 . 1 1 63 63 THR H H 1 8.388 0.000 . . . . . . A 51 THR H . 30068 1 418 . 1 1 63 63 THR HA H 1 5.357 0.000 . . . . . . A 51 THR HA . 30068 1 419 . 1 1 63 63 THR HB H 1 3.992 0.000 . . . . . . A 51 THR HB . 30068 1 420 . 1 1 63 63 THR HG21 H 1 1.085 0.000 . . . . . . A 51 THR HG21 . 30068 1 421 . 1 1 63 63 THR HG22 H 1 1.085 0.000 . . . . . . A 51 THR HG22 . 30068 1 422 . 1 1 63 63 THR HG23 H 1 1.085 0.000 . . . . . . A 51 THR HG23 . 30068 1 423 . 1 1 63 63 THR CA C 13 60.470 0.000 . . . . . . A 51 THR CA . 30068 1 424 . 1 1 63 63 THR CB C 13 69.800 0.000 . . . . . . A 51 THR CB . 30068 1 425 . 1 1 63 63 THR N N 15 120.250 0.000 . . . . . . A 51 THR N . 30068 1 426 . 1 1 64 64 ALA H H 1 9.014 0.000 . . . . . . A 52 ALA H . 30068 1 427 . 1 1 64 64 ALA HA H 1 4.663 0.000 . . . . . . A 52 ALA HA . 30068 1 428 . 1 1 64 64 ALA HB1 H 1 1.647 0.000 . . . . . . A 52 ALA HB1 . 30068 1 429 . 1 1 64 64 ALA HB2 H 1 1.647 0.000 . . . . . . A 52 ALA HB2 . 30068 1 430 . 1 1 64 64 ALA HB3 H 1 1.647 0.000 . . . . . . A 52 ALA HB3 . 30068 1 431 . 1 1 64 64 ALA CA C 13 52.180 0.000 . . . . . . A 52 ALA CA . 30068 1 432 . 1 1 64 64 ALA CB C 13 22.660 0.000 . . . . . . A 52 ALA CB . 30068 1 433 . 1 1 64 64 ALA N N 15 127.550 0.000 . . . . . . A 52 ALA N . 30068 1 434 . 1 1 65 65 ARG H H 1 9.220 0.000 . . . . . . A 53 ARG H . 30068 1 435 . 1 1 65 65 ARG HA H 1 3.846 0.000 . . . . . . A 53 ARG HA . 30068 1 436 . 1 1 65 65 ARG HB2 H 1 1.718 0.000 . . . . . . A 53 ARG HB2 . 30068 1 437 . 1 1 65 65 ARG HB3 H 1 2.040 0.000 . . . . . . A 53 ARG HB3 . 30068 1 438 . 1 1 65 65 ARG HG2 H 1 0.809 0.000 . . . . . . A 53 ARG HG2 . 30068 1 439 . 1 1 65 65 ARG HG3 H 1 1.133 0.000 . . . . . . A 53 ARG HG3 . 30068 1 440 . 1 1 65 65 ARG HD2 H 1 2.550 0.000 . . . . . . A 53 ARG HD2 . 30068 1 441 . 1 1 65 65 ARG HD3 H 1 1.798 0.000 . . . . . . A 53 ARG HD3 . 30068 1 442 . 1 1 65 65 ARG HE H 1 7.010 0.000 . . . . . . A 53 ARG HE . 30068 1 443 . 1 1 65 65 ARG CA C 13 57.030 0.000 . . . . . . A 53 ARG CA . 30068 1 444 . 1 1 65 65 ARG CB C 13 27.270 0.000 . . . . . . A 53 ARG CB . 30068 1 445 . 1 1 65 65 ARG N N 15 118.290 0.000 . . . . . . A 53 ARG N . 30068 1 446 . 1 1 66 66 GLY H H 1 8.656 0.000 . . . . . . A 54 GLY H . 30068 1 447 . 1 1 66 66 GLY HA2 H 1 3.512 0.000 . . . . . . A 54 GLY HA2 . 30068 1 448 . 1 1 66 66 GLY HA3 H 1 4.014 0.000 . . . . . . A 54 GLY HA3 . 30068 1 449 . 1 1 66 66 GLY CA C 13 45.190 0.000 . . . . . . A 54 GLY CA . 30068 1 450 . 1 1 66 66 GLY N N 15 102.800 0.000 . . . . . . A 54 GLY N . 30068 1 451 . 1 1 67 67 HIS H H 1 8.221 0.000 . . . . . . A 55 HIS H . 30068 1 452 . 1 1 67 67 HIS HA H 1 4.692 0.000 . . . . . . A 55 HIS HA . 30068 1 453 . 1 1 67 67 HIS HB2 H 1 2.682 0.000 . . . . . . A 55 HIS HB2 . 30068 1 454 . 1 1 67 67 HIS HB3 H 1 3.099 0.000 . . . . . . A 55 HIS HB3 . 30068 1 455 . 1 1 67 67 HIS HD2 H 1 6.966 0.000 . . . . . . A 55 HIS HD2 . 30068 1 456 . 1 1 67 67 HIS CA C 13 55.010 0.000 . . . . . . A 55 HIS CA . 30068 1 457 . 1 1 67 67 HIS CB C 13 34.090 0.000 . . . . . . A 55 HIS CB . 30068 1 458 . 1 1 67 67 HIS N N 15 121.140 0.000 . . . . . . A 55 HIS N . 30068 1 459 . 1 1 68 68 GLU H H 1 7.946 0.000 . . . . . . A 56 GLU H . 30068 1 460 . 1 1 68 68 GLU HA H 1 5.053 0.000 . . . . . . A 56 GLU HA . 30068 1 461 . 1 1 68 68 GLU HB2 H 1 1.725 0.000 . . . . . . A 56 GLU HB2 . 30068 1 462 . 1 1 68 68 GLU HB3 H 1 1.650 0.000 . . . . . . A 56 GLU HB3 . 30068 1 463 . 1 1 68 68 GLU HG2 H 1 2.063 0.000 . . . . . . A 56 GLU HG2 . 30068 1 464 . 1 1 68 68 GLU HG3 H 1 1.980 0.000 . . . . . . A 56 GLU HG3 . 30068 1 465 . 1 1 68 68 GLU CA C 13 54.950 0.000 . . . . . . A 56 GLU CA . 30068 1 466 . 1 1 68 68 GLU CB C 13 32.140 0.000 . . . . . . A 56 GLU CB . 30068 1 467 . 1 1 68 68 GLU N N 15 119.520 0.000 . . . . . . A 56 GLU N . 30068 1 468 . 1 1 69 69 PHE H H 1 9.093 0.000 . . . . . . A 57 PHE H . 30068 1 469 . 1 1 69 69 PHE HA H 1 4.832 0.000 . . . . . . A 57 PHE HA . 30068 1 470 . 1 1 69 69 PHE HB2 H 1 2.791 0.000 . . . . . . A 57 PHE HB2 . 30068 1 471 . 1 1 69 69 PHE HB3 H 1 2.627 0.000 . . . . . . A 57 PHE HB3 . 30068 1 472 . 1 1 69 69 PHE HD1 H 1 7.078 0.000 . . . . . . A 57 PHE HD1 . 30068 1 473 . 1 1 69 69 PHE HD2 H 1 7.078 0.000 . . . . . . A 57 PHE HD2 . 30068 1 474 . 1 1 69 69 PHE HE1 H 1 7.372 0.000 . . . . . . A 57 PHE HE1 . 30068 1 475 . 1 1 69 69 PHE HE2 H 1 7.372 0.000 . . . . . . A 57 PHE HE2 . 30068 1 476 . 1 1 69 69 PHE HZ H 1 7.179 0.000 . . . . . . A 57 PHE HZ . 30068 1 477 . 1 1 69 69 PHE CA C 13 56.170 0.000 . . . . . . A 57 PHE CA . 30068 1 478 . 1 1 69 69 PHE CB C 13 41.650 0.000 . . . . . . A 57 PHE CB . 30068 1 479 . 1 1 69 69 PHE N N 15 121.750 0.000 . . . . . . A 57 PHE N . 30068 1 480 . 1 1 70 70 GLU H H 1 8.537 0.000 . . . . . . A 58 GLU H . 30068 1 481 . 1 1 70 70 GLU HA H 1 5.264 0.000 . . . . . . A 58 GLU HA . 30068 1 482 . 1 1 70 70 GLU HB2 H 1 2.194 0.000 . . . . . . A 58 GLU HB2 . 30068 1 483 . 1 1 70 70 GLU HB3 H 1 1.741 0.000 . . . . . . A 58 GLU HB3 . 30068 1 484 . 1 1 70 70 GLU HG2 H 1 2.008 0.000 . . . . . . A 58 GLU HG2 . 30068 1 485 . 1 1 70 70 GLU CA C 13 55.330 0.000 . . . . . . A 58 GLU CA . 30068 1 486 . 1 1 70 70 GLU CB C 13 30.540 0.000 . . . . . . A 58 GLU CB . 30068 1 487 . 1 1 70 70 GLU N N 15 125.010 0.000 . . . . . . A 58 GLU N . 30068 1 488 . 1 1 71 71 VAL H H 1 8.752 0.000 . . . . . . A 59 VAL H . 30068 1 489 . 1 1 71 71 VAL HA H 1 5.445 0.000 . . . . . . A 59 VAL HA . 30068 1 490 . 1 1 71 71 VAL HB H 1 1.997 0.000 . . . . . . A 59 VAL HB . 30068 1 491 . 1 1 71 71 VAL HG11 H 1 0.551 0.000 . . . . . . A 59 VAL HG11 . 30068 1 492 . 1 1 71 71 VAL HG12 H 1 0.551 0.000 . . . . . . A 59 VAL HG12 . 30068 1 493 . 1 1 71 71 VAL HG13 H 1 0.551 0.000 . . . . . . A 59 VAL HG13 . 30068 1 494 . 1 1 71 71 VAL HG21 H 1 0.243 0.000 . . . . . . A 59 VAL HG21 . 30068 1 495 . 1 1 71 71 VAL HG22 H 1 0.243 0.000 . . . . . . A 59 VAL HG22 . 30068 1 496 . 1 1 71 71 VAL HG23 H 1 0.243 0.000 . . . . . . A 59 VAL HG23 . 30068 1 497 . 1 1 71 71 VAL CA C 13 58.550 0.000 . . . . . . A 59 VAL CA . 30068 1 498 . 1 1 71 71 VAL CB C 13 34.400 0.000 . . . . . . A 59 VAL CB . 30068 1 499 . 1 1 71 71 VAL N N 15 120.470 0.000 . . . . . . A 59 VAL N . 30068 1 500 . 1 1 72 72 GLU H H 1 7.988 0.000 . . . . . . A 60 GLU H . 30068 1 501 . 1 1 72 72 GLU HA H 1 4.618 0.000 . . . . . . A 60 GLU HA . 30068 1 502 . 1 1 72 72 GLU HB2 H 1 1.787 0.000 . . . . . . A 60 GLU HB2 . 30068 1 503 . 1 1 72 72 GLU HB3 H 1 1.584 0.000 . . . . . . A 60 GLU HB3 . 30068 1 504 . 1 1 72 72 GLU HG2 H 1 1.919 0.000 . . . . . . A 60 GLU HG2 . 30068 1 505 . 1 1 72 72 GLU CA C 13 54.180 0.000 . . . . . . A 60 GLU CA . 30068 1 506 . 1 1 72 72 GLU CB C 13 32.870 0.000 . . . . . . A 60 GLU CB . 30068 1 507 . 1 1 72 72 GLU N N 15 118.530 0.000 . . . . . . A 60 GLU N . 30068 1 508 . 1 1 73 73 ALA H H 1 8.196 0.000 . . . . . . A 61 ALA H . 30068 1 509 . 1 1 73 73 ALA HA H 1 4.654 0.000 . . . . . . A 61 ALA HA . 30068 1 510 . 1 1 73 73 ALA HB1 H 1 1.368 0.000 . . . . . . A 61 ALA HB1 . 30068 1 511 . 1 1 73 73 ALA HB2 H 1 1.368 0.000 . . . . . . A 61 ALA HB2 . 30068 1 512 . 1 1 73 73 ALA HB3 H 1 1.368 0.000 . . . . . . A 61 ALA HB3 . 30068 1 513 . 1 1 73 73 ALA CA C 13 50.520 0.000 . . . . . . A 61 ALA CA . 30068 1 514 . 1 1 73 73 ALA CB C 13 17.600 0.000 . . . . . . A 61 ALA CB . 30068 1 515 . 1 1 73 73 ALA N N 15 132.670 0.000 . . . . . . A 61 ALA N . 30068 1 516 . 1 1 74 74 LYS H H 1 8.987 0.000 . . . . . . A 62 LYS H . 30068 1 517 . 1 1 74 74 LYS HA H 1 4.024 0.000 . . . . . . A 62 LYS HA . 30068 1 518 . 1 1 74 74 LYS HB2 H 1 1.617 0.000 . . . . . . A 62 LYS HB2 . 30068 1 519 . 1 1 74 74 LYS HB3 H 1 1.737 0.000 . . . . . . A 62 LYS HB3 . 30068 1 520 . 1 1 74 74 LYS HG2 H 1 1.282 0.000 . . . . . . A 62 LYS HG2 . 30068 1 521 . 1 1 74 74 LYS HG3 H 1 1.423 0.000 . . . . . . A 62 LYS HG3 . 30068 1 522 . 1 1 74 74 LYS HD2 H 1 1.600 0.000 . . . . . . A 62 LYS HD2 . 30068 1 523 . 1 1 74 74 LYS HE2 H 1 2.935 0.000 . . . . . . A 62 LYS HE2 . 30068 1 524 . 1 1 74 74 LYS HE3 H 1 2.907 0.000 . . . . . . A 62 LYS HE3 . 30068 1 525 . 1 1 74 74 LYS CA C 13 59.590 0.000 . . . . . . A 62 LYS CA . 30068 1 526 . 1 1 74 74 LYS CB C 13 34.690 0.000 . . . . . . A 62 LYS CB . 30068 1 527 . 1 1 74 74 LYS N N 15 125.870 0.000 . . . . . . A 62 LYS N . 30068 1 528 . 1 1 75 75 ASP H H 1 7.527 0.000 . . . . . . A 63 ASP H . 30068 1 529 . 1 1 75 75 ASP HA H 1 4.419 0.000 . . . . . . A 63 ASP HA . 30068 1 530 . 1 1 75 75 ASP HB2 H 1 2.982 0.000 . . . . . . A 63 ASP HB2 . 30068 1 531 . 1 1 75 75 ASP HB3 H 1 3.009 0.000 . . . . . . A 63 ASP HB3 . 30068 1 532 . 1 1 75 75 ASP CA C 13 53.150 0.000 . . . . . . A 63 ASP CA . 30068 1 533 . 1 1 75 75 ASP CB C 13 41.470 0.000 . . . . . . A 63 ASP CB . 30068 1 534 . 1 1 75 75 ASP N N 15 110.720 0.000 . . . . . . A 63 ASP N . 30068 1 535 . 1 1 76 76 GLN H H 1 8.406 0.000 . . . . . . A 64 GLN H . 30068 1 536 . 1 1 76 76 GLN HA H 1 4.100 0.000 . . . . . . A 64 GLN HA . 30068 1 537 . 1 1 76 76 GLN HB2 H 1 2.162 0.000 . . . . . . A 64 GLN HB2 . 30068 1 538 . 1 1 76 76 GLN HB3 H 1 2.093 0.000 . . . . . . A 64 GLN HB3 . 30068 1 539 . 1 1 76 76 GLN HG2 H 1 2.337 0.000 . . . . . . A 64 GLN HG2 . 30068 1 540 . 1 1 76 76 GLN HG3 H 1 2.312 0.000 . . . . . . A 64 GLN HG3 . 30068 1 541 . 1 1 76 76 GLN HE21 H 1 7.561 0.000 . . . . . . A 64 GLN HE21 . 30068 1 542 . 1 1 76 76 GLN HE22 H 1 6.937 0.000 . . . . . . A 64 GLN HE22 . 30068 1 543 . 1 1 76 76 GLN CA C 13 57.690 0.000 . . . . . . A 64 GLN CA . 30068 1 544 . 1 1 76 76 GLN CB C 13 27.840 0.000 . . . . . . A 64 GLN CB . 30068 1 545 . 1 1 76 76 GLN N N 15 112.880 0.000 . . . . . . A 64 GLN N . 30068 1 546 . 1 1 77 77 ASN H H 1 8.747 0.000 . . . . . . A 65 ASN H . 30068 1 547 . 1 1 77 77 ASN HA H 1 4.576 0.000 . . . . . . A 65 ASN HA . 30068 1 548 . 1 1 77 77 ASN HB2 H 1 2.997 0.000 . . . . . . A 65 ASN HB2 . 30068 1 549 . 1 1 77 77 ASN HB3 H 1 2.638 0.000 . . . . . . A 65 ASN HB3 . 30068 1 550 . 1 1 77 77 ASN HD21 H 1 7.606 0.000 . . . . . . A 65 ASN HD21 . 30068 1 551 . 1 1 77 77 ASN HD22 H 1 7.029 0.000 . . . . . . A 65 ASN HD22 . 30068 1 552 . 1 1 77 77 ASN CA C 13 55.730 0.000 . . . . . . A 65 ASN CA . 30068 1 553 . 1 1 77 77 ASN CB C 13 38.010 0.000 . . . . . . A 65 ASN CB . 30068 1 554 . 1 1 77 77 ASN N N 15 117.510 0.000 . . . . . . A 65 ASN N . 30068 1 555 . 1 1 78 78 CYS H H 1 8.527 0.000 . . . . . . A 66 CYS H . 30068 1 556 . 1 1 78 78 CYS HA H 1 4.369 0.000 . . . . . . A 66 CYS HA . 30068 1 557 . 1 1 78 78 CYS HB2 H 1 2.751 0.000 . . . . . . A 66 CYS HB2 . 30068 1 558 . 1 1 78 78 CYS HB3 H 1 2.264 0.000 . . . . . . A 66 CYS HB3 . 30068 1 559 . 1 1 78 78 CYS CA C 13 55.140 0.000 . . . . . . A 66 CYS CA . 30068 1 560 . 1 1 78 78 CYS CB C 13 36.570 0.000 . . . . . . A 66 CYS CB . 30068 1 561 . 1 1 78 78 CYS N N 15 112.640 0.000 . . . . . . A 66 CYS N . 30068 1 562 . 1 1 79 79 LYS H H 1 7.966 0.000 . . . . . . A 67 LYS H . 30068 1 563 . 1 1 79 79 LYS HA H 1 4.193 0.000 . . . . . . A 67 LYS HA . 30068 1 564 . 1 1 79 79 LYS HB2 H 1 1.686 0.000 . . . . . . A 67 LYS HB2 . 30068 1 565 . 1 1 79 79 LYS HB3 H 1 1.653 0.000 . . . . . . A 67 LYS HB3 . 30068 1 566 . 1 1 79 79 LYS HG2 H 1 1.283 0.000 . . . . . . A 67 LYS HG2 . 30068 1 567 . 1 1 79 79 LYS HG3 H 1 1.377 0.000 . . . . . . A 67 LYS HG3 . 30068 1 568 . 1 1 79 79 LYS HD3 H 1 1.515 0.000 . . . . . . A 67 LYS HD3 . 30068 1 569 . 1 1 79 79 LYS HE2 H 1 3.000 0.000 . . . . . . A 67 LYS HE2 . 30068 1 570 . 1 1 79 79 LYS CA C 13 56.860 0.000 . . . . . . A 67 LYS CA . 30068 1 571 . 1 1 79 79 LYS CB C 13 32.190 0.000 . . . . . . A 67 LYS CB . 30068 1 572 . 1 1 79 79 LYS N N 15 115.730 0.000 . . . . . . A 67 LYS N . 30068 1 573 . 1 1 80 80 VAL H H 1 8.942 0.000 . . . . . . A 68 VAL H . 30068 1 574 . 1 1 80 80 VAL HA H 1 3.649 0.000 . . . . . . A 68 VAL HA . 30068 1 575 . 1 1 80 80 VAL HB H 1 2.039 0.000 . . . . . . A 68 VAL HB . 30068 1 576 . 1 1 80 80 VAL HG11 H 1 0.935 0.000 . . . . . . A 68 VAL HG11 . 30068 1 577 . 1 1 80 80 VAL HG12 H 1 0.935 0.000 . . . . . . A 68 VAL HG12 . 30068 1 578 . 1 1 80 80 VAL HG13 H 1 0.935 0.000 . . . . . . A 68 VAL HG13 . 30068 1 579 . 1 1 80 80 VAL HG21 H 1 0.650 0.000 . . . . . . A 68 VAL HG21 . 30068 1 580 . 1 1 80 80 VAL HG22 H 1 0.650 0.000 . . . . . . A 68 VAL HG22 . 30068 1 581 . 1 1 80 80 VAL HG23 H 1 0.650 0.000 . . . . . . A 68 VAL HG23 . 30068 1 582 . 1 1 80 80 VAL CA C 13 64.740 0.000 . . . . . . A 68 VAL CA . 30068 1 583 . 1 1 80 80 VAL CB C 13 30.350 0.000 . . . . . . A 68 VAL CB . 30068 1 584 . 1 1 80 80 VAL N N 15 126.510 0.000 . . . . . . A 68 VAL N . 30068 1 585 . 1 1 81 81 ILE H H 1 8.562 0.000 . . . . . . A 69 ILE H . 30068 1 586 . 1 1 81 81 ILE HA H 1 4.187 0.000 . . . . . . A 69 ILE HA . 30068 1 587 . 1 1 81 81 ILE HB H 1 2.065 0.000 . . . . . . A 69 ILE HB . 30068 1 588 . 1 1 81 81 ILE HG12 H 1 1.355 0.000 . . . . . . A 69 ILE HG12 . 30068 1 589 . 1 1 81 81 ILE HG13 H 1 0.945 0.000 . . . . . . A 69 ILE HG13 . 30068 1 590 . 1 1 81 81 ILE HG21 H 1 0.843 0.000 . . . . . . A 69 ILE HG21 . 30068 1 591 . 1 1 81 81 ILE HG22 H 1 0.843 0.000 . . . . . . A 69 ILE HG22 . 30068 1 592 . 1 1 81 81 ILE HG23 H 1 0.843 0.000 . . . . . . A 69 ILE HG23 . 30068 1 593 . 1 1 81 81 ILE HD11 H 1 0.884 0.000 . . . . . . A 69 ILE HD11 . 30068 1 594 . 1 1 81 81 ILE HD12 H 1 0.884 0.000 . . . . . . A 69 ILE HD12 . 30068 1 595 . 1 1 81 81 ILE HD13 H 1 0.884 0.000 . . . . . . A 69 ILE HD13 . 30068 1 596 . 1 1 81 81 ILE CA C 13 60.380 0.000 . . . . . . A 69 ILE CA . 30068 1 597 . 1 1 81 81 ILE CB C 13 41.410 0.000 . . . . . . A 69 ILE CB . 30068 1 598 . 1 1 81 81 ILE N N 15 132.430 0.000 . . . . . . A 69 ILE N . 30068 1 599 . 1 1 82 82 LEU H H 1 8.774 0.000 . . . . . . A 70 LEU H . 30068 1 600 . 1 1 82 82 LEU HA H 1 5.286 0.000 . . . . . . A 70 LEU HA . 30068 1 601 . 1 1 82 82 LEU HB2 H 1 1.756 0.000 . . . . . . A 70 LEU HB2 . 30068 1 602 . 1 1 82 82 LEU HB3 H 1 2.043 0.000 . . . . . . A 70 LEU HB3 . 30068 1 603 . 1 1 82 82 LEU HG H 1 1.633 0.000 . . . . . . A 70 LEU HG . 30068 1 604 . 1 1 82 82 LEU HD11 H 1 0.731 0.000 . . . . . . A 70 LEU HD11 . 30068 1 605 . 1 1 82 82 LEU HD12 H 1 0.731 0.000 . . . . . . A 70 LEU HD12 . 30068 1 606 . 1 1 82 82 LEU HD13 H 1 0.731 0.000 . . . . . . A 70 LEU HD13 . 30068 1 607 . 1 1 82 82 LEU HD21 H 1 0.806 0.000 . . . . . . A 70 LEU HD21 . 30068 1 608 . 1 1 82 82 LEU HD22 H 1 0.806 0.000 . . . . . . A 70 LEU HD22 . 30068 1 609 . 1 1 82 82 LEU HD23 H 1 0.806 0.000 . . . . . . A 70 LEU HD23 . 30068 1 610 . 1 1 82 82 LEU CA C 13 53.190 0.000 . . . . . . A 70 LEU CA . 30068 1 611 . 1 1 82 82 LEU CB C 13 41.220 0.000 . . . . . . A 70 LEU CB . 30068 1 612 . 1 1 82 82 LEU N N 15 125.350 0.000 . . . . . . A 70 LEU N . 30068 1 613 . 1 1 83 83 THR H H 1 8.556 0.000 . . . . . . A 71 THR H . 30068 1 614 . 1 1 83 83 THR HA H 1 4.120 0.000 . . . . . . A 71 THR HA . 30068 1 615 . 1 1 83 83 THR HB H 1 4.305 0.000 . . . . . . A 71 THR HB . 30068 1 616 . 1 1 83 83 THR HG21 H 1 1.134 0.000 . . . . . . A 71 THR HG21 . 30068 1 617 . 1 1 83 83 THR HG22 H 1 1.134 0.000 . . . . . . A 71 THR HG22 . 30068 1 618 . 1 1 83 83 THR HG23 H 1 1.134 0.000 . . . . . . A 71 THR HG23 . 30068 1 619 . 1 1 83 83 THR CA C 13 63.740 0.000 . . . . . . A 71 THR CA . 30068 1 620 . 1 1 83 83 THR CB C 13 68.280 0.000 . . . . . . A 71 THR CB . 30068 1 621 . 1 1 83 83 THR N N 15 115.310 0.000 . . . . . . A 71 THR N . 30068 1 622 . 1 1 84 84 ASN H H 1 8.163 0.000 . . . . . . A 72 ASN H . 30068 1 623 . 1 1 84 84 ASN HA H 1 4.572 0.000 . . . . . . A 72 ASN HA . 30068 1 624 . 1 1 84 84 ASN HB2 H 1 3.189 0.000 . . . . . . A 72 ASN HB2 . 30068 1 625 . 1 1 84 84 ASN HB3 H 1 2.920 0.000 . . . . . . A 72 ASN HB3 . 30068 1 626 . 1 1 84 84 ASN HD21 H 1 7.283 0.000 . . . . . . A 72 ASN HD21 . 30068 1 627 . 1 1 84 84 ASN HD22 H 1 6.672 0.000 . . . . . . A 72 ASN HD22 . 30068 1 628 . 1 1 84 84 ASN CA C 13 52.710 0.000 . . . . . . A 72 ASN CA . 30068 1 629 . 1 1 84 84 ASN CB C 13 37.290 0.000 . . . . . . A 72 ASN CB . 30068 1 630 . 1 1 84 84 ASN N N 15 116.980 0.000 . . . . . . A 72 ASN N . 30068 1 631 . 1 1 85 85 GLY H H 1 7.973 0.000 . . . . . . A 73 GLY H . 30068 1 632 . 1 1 85 85 GLY HA2 H 1 3.864 0.000 . . . . . . A 73 GLY HA2 . 30068 1 633 . 1 1 85 85 GLY HA3 H 1 4.096 0.000 . . . . . . A 73 GLY HA3 . 30068 1 634 . 1 1 85 85 GLY CA C 13 45.650 0.000 . . . . . . A 73 GLY CA . 30068 1 635 . 1 1 85 85 GLY N N 15 106.510 0.000 . . . . . . A 73 GLY N . 30068 1 636 . 1 1 86 86 LYS H H 1 7.794 0.000 . . . . . . A 74 LYS H . 30068 1 637 . 1 1 86 86 LYS HA H 1 4.298 0.000 . . . . . . A 74 LYS HA . 30068 1 638 . 1 1 86 86 LYS HB2 H 1 1.837 0.000 . . . . . . A 74 LYS HB2 . 30068 1 639 . 1 1 86 86 LYS HG2 H 1 1.303 0.000 . . . . . . A 74 LYS HG2 . 30068 1 640 . 1 1 86 86 LYS HD2 H 1 1.662 0.000 . . . . . . A 74 LYS HD2 . 30068 1 641 . 1 1 86 86 LYS HE2 H 1 2.980 0.000 . . . . . . A 74 LYS HE2 . 30068 1 642 . 1 1 86 86 LYS HE3 H 1 2.997 0.000 . . . . . . A 74 LYS HE3 . 30068 1 643 . 1 1 86 86 LYS CA C 13 55.730 0.000 . . . . . . A 74 LYS CA . 30068 1 644 . 1 1 86 86 LYS CB C 13 32.640 0.000 . . . . . . A 74 LYS CB . 30068 1 645 . 1 1 86 86 LYS N N 15 120.660 0.000 . . . . . . A 74 LYS N . 30068 1 646 . 1 1 87 87 GLN H H 1 8.227 0.000 . . . . . . A 75 GLN H . 30068 1 647 . 1 1 87 87 GLN HA H 1 4.160 0.000 . . . . . . A 75 GLN HA . 30068 1 648 . 1 1 87 87 GLN HB2 H 1 1.938 0.000 . . . . . . A 75 GLN HB2 . 30068 1 649 . 1 1 87 87 GLN HB3 H 1 1.977 0.000 . . . . . . A 75 GLN HB3 . 30068 1 650 . 1 1 87 87 GLN HG2 H 1 2.417 0.000 . . . . . . A 75 GLN HG2 . 30068 1 651 . 1 1 87 87 GLN HE21 H 1 7.633 0.000 . . . . . . A 75 GLN HE21 . 30068 1 652 . 1 1 87 87 GLN HE22 H 1 6.838 0.000 . . . . . . A 75 GLN HE22 . 30068 1 653 . 1 1 87 87 GLN CA C 13 55.690 0.000 . . . . . . A 75 GLN CA . 30068 1 654 . 1 1 87 87 GLN CB C 13 29.190 0.000 . . . . . . A 75 GLN CB . 30068 1 655 . 1 1 87 87 GLN N N 15 119.460 0.000 . . . . . . A 75 GLN N . 30068 1 656 . 1 1 88 88 ALA H H 1 8.645 0.000 . . . . . . A 76 ALA H . 30068 1 657 . 1 1 88 88 ALA HA H 1 4.138 0.000 . . . . . . A 76 ALA HA . 30068 1 658 . 1 1 88 88 ALA HB1 H 1 1.095 0.000 . . . . . . A 76 ALA HB1 . 30068 1 659 . 1 1 88 88 ALA HB2 H 1 1.095 0.000 . . . . . . A 76 ALA HB2 . 30068 1 660 . 1 1 88 88 ALA HB3 H 1 1.095 0.000 . . . . . . A 76 ALA HB3 . 30068 1 661 . 1 1 88 88 ALA CA C 13 50.080 0.000 . . . . . . A 76 ALA CA . 30068 1 662 . 1 1 88 88 ALA CB C 13 18.010 0.000 . . . . . . A 76 ALA CB . 30068 1 663 . 1 1 88 88 ALA N N 15 129.190 0.000 . . . . . . A 76 ALA N . 30068 1 664 . 1 1 89 89 PRO HA H 1 4.226 0.000 . . . . . . A 77 PRO HA . 30068 1 665 . 1 1 89 89 PRO HB2 H 1 1.773 0.000 . . . . . . A 77 PRO HB2 . 30068 1 666 . 1 1 89 89 PRO HB3 H 1 0.078 0.000 . . . . . . A 77 PRO HB3 . 30068 1 667 . 1 1 89 89 PRO HG2 H 1 0.714 0.000 . . . . . . A 77 PRO HG2 . 30068 1 668 . 1 1 89 89 PRO HG3 H 1 1.419 0.000 . . . . . . A 77 PRO HG3 . 30068 1 669 . 1 1 89 89 PRO HD2 H 1 3.371 0.000 . . . . . . A 77 PRO HD2 . 30068 1 670 . 1 1 89 89 PRO HD3 H 1 2.520 0.000 . . . . . . A 77 PRO HD3 . 30068 1 671 . 1 1 89 89 PRO CA C 13 62.090 0.000 . . . . . . A 77 PRO CA . 30068 1 672 . 1 1 89 89 PRO CB C 13 31.320 0.000 . . . . . . A 77 PRO CB . 30068 1 673 . 1 1 90 90 ASP H H 1 8.583 0.000 . . . . . . A 78 ASP H . 30068 1 674 . 1 1 90 90 ASP HA H 1 4.187 0.000 . . . . . . A 78 ASP HA . 30068 1 675 . 1 1 90 90 ASP HB2 H 1 2.742 0.000 . . . . . . A 78 ASP HB2 . 30068 1 676 . 1 1 90 90 ASP HB3 H 1 2.798 0.000 . . . . . . A 78 ASP HB3 . 30068 1 677 . 1 1 90 90 ASP CA C 13 56.500 0.000 . . . . . . A 78 ASP CA . 30068 1 678 . 1 1 90 90 ASP CB C 13 40.530 0.000 . . . . . . A 78 ASP CB . 30068 1 679 . 1 1 90 90 ASP N N 15 120.680 0.000 . . . . . . A 78 ASP N . 30068 1 680 . 1 1 91 91 TRP H H 1 6.703 0.000 . . . . . . A 79 TRP H . 30068 1 681 . 1 1 91 91 TRP HA H 1 4.508 0.000 . . . . . . A 79 TRP HA . 30068 1 682 . 1 1 91 91 TRP HB2 H 1 3.735 0.000 . . . . . . A 79 TRP HB2 . 30068 1 683 . 1 1 91 91 TRP HB3 H 1 3.100 0.000 . . . . . . A 79 TRP HB3 . 30068 1 684 . 1 1 91 91 TRP HD1 H 1 7.364 0.000 . . . . . . A 79 TRP HD1 . 30068 1 685 . 1 1 91 91 TRP HE1 H 1 10.330 0.000 . . . . . . A 79 TRP HE1 . 30068 1 686 . 1 1 91 91 TRP HE3 H 1 7.313 0.000 . . . . . . A 79 TRP HE3 . 30068 1 687 . 1 1 91 91 TRP HZ2 H 1 7.372 0.000 . . . . . . A 79 TRP HZ2 . 30068 1 688 . 1 1 91 91 TRP HZ3 H 1 6.653 0.000 . . . . . . A 79 TRP HZ3 . 30068 1 689 . 1 1 91 91 TRP HH2 H 1 7.009 0.000 . . . . . . A 79 TRP HH2 . 30068 1 690 . 1 1 91 91 TRP CA C 13 54.440 0.000 . . . . . . A 79 TRP CA . 30068 1 691 . 1 1 91 91 TRP CB C 13 29.390 0.000 . . . . . . A 79 TRP CB . 30068 1 692 . 1 1 91 91 TRP N N 15 113.800 0.000 . . . . . . A 79 TRP N . 30068 1 693 . 1 1 92 92 LEU H H 1 6.581 0.000 . . . . . . A 80 LEU H . 30068 1 694 . 1 1 92 92 LEU HA H 1 4.807 0.000 . . . . . . A 80 LEU HA . 30068 1 695 . 1 1 92 92 LEU HB2 H 1 1.286 0.000 . . . . . . A 80 LEU HB2 . 30068 1 696 . 1 1 92 92 LEU HB3 H 1 0.240 0.000 . . . . . . A 80 LEU HB3 . 30068 1 697 . 1 1 92 92 LEU HG H 1 1.199 0.000 . . . . . . A 80 LEU HG . 30068 1 698 . 1 1 92 92 LEU HD11 H 1 0.633 0.000 . . . . . . A 80 LEU HD11 . 30068 1 699 . 1 1 92 92 LEU HD12 H 1 0.633 0.000 . . . . . . A 80 LEU HD12 . 30068 1 700 . 1 1 92 92 LEU HD13 H 1 0.633 0.000 . . . . . . A 80 LEU HD13 . 30068 1 701 . 1 1 92 92 LEU HD21 H 1 0.300 0.000 . . . . . . A 80 LEU HD21 . 30068 1 702 . 1 1 92 92 LEU HD22 H 1 0.300 0.000 . . . . . . A 80 LEU HD22 . 30068 1 703 . 1 1 92 92 LEU HD23 H 1 0.300 0.000 . . . . . . A 80 LEU HD23 . 30068 1 704 . 1 1 92 92 LEU CA C 13 54.850 0.000 . . . . . . A 80 LEU CA . 30068 1 705 . 1 1 92 92 LEU CB C 13 42.080 0.000 . . . . . . A 80 LEU CB . 30068 1 706 . 1 1 92 92 LEU N N 15 123.100 0.000 . . . . . . A 80 LEU N . 30068 1 707 . 1 1 93 93 ALA H H 1 9.004 0.000 . . . . . . A 81 ALA H . 30068 1 708 . 1 1 93 93 ALA HA H 1 4.703 0.000 . . . . . . A 81 ALA HA . 30068 1 709 . 1 1 93 93 ALA HB1 H 1 1.024 0.000 . . . . . . A 81 ALA HB1 . 30068 1 710 . 1 1 93 93 ALA HB2 H 1 1.024 0.000 . . . . . . A 81 ALA HB2 . 30068 1 711 . 1 1 93 93 ALA HB3 H 1 1.024 0.000 . . . . . . A 81 ALA HB3 . 30068 1 712 . 1 1 93 93 ALA CA C 13 50.310 0.000 . . . . . . A 81 ALA CA . 30068 1 713 . 1 1 93 93 ALA CB C 13 23.400 0.000 . . . . . . A 81 ALA CB . 30068 1 714 . 1 1 93 93 ALA N N 15 131.390 0.000 . . . . . . A 81 ALA N . 30068 1 715 . 1 1 94 94 ALA H H 1 8.124 0.000 . . . . . . A 82 ALA H . 30068 1 716 . 1 1 94 94 ALA HA H 1 5.638 0.000 . . . . . . A 82 ALA HA . 30068 1 717 . 1 1 94 94 ALA HB1 H 1 0.708 0.000 . . . . . . A 82 ALA HB1 . 30068 1 718 . 1 1 94 94 ALA HB2 H 1 0.708 0.000 . . . . . . A 82 ALA HB2 . 30068 1 719 . 1 1 94 94 ALA HB3 H 1 0.708 0.000 . . . . . . A 82 ALA HB3 . 30068 1 720 . 1 1 94 94 ALA CA C 13 51.010 0.000 . . . . . . A 82 ALA CA . 30068 1 721 . 1 1 94 94 ALA CB C 13 22.690 0.000 . . . . . . A 82 ALA CB . 30068 1 722 . 1 1 94 94 ALA N N 15 118.880 0.000 . . . . . . A 82 ALA N . 30068 1 723 . 1 1 95 95 GLU H H 1 8.627 0.000 . . . . . . A 83 GLU H . 30068 1 724 . 1 1 95 95 GLU HA H 1 4.936 0.000 . . . . . . A 83 GLU HA . 30068 1 725 . 1 1 95 95 GLU HB2 H 1 2.211 0.000 . . . . . . A 83 GLU HB2 . 30068 1 726 . 1 1 95 95 GLU HB3 H 1 2.015 0.000 . . . . . . A 83 GLU HB3 . 30068 1 727 . 1 1 95 95 GLU HG2 H 1 2.369 0.000 . . . . . . A 83 GLU HG2 . 30068 1 728 . 1 1 95 95 GLU CA C 13 53.010 0.000 . . . . . . A 83 GLU CA . 30068 1 729 . 1 1 95 95 GLU CB C 13 32.590 0.000 . . . . . . A 83 GLU CB . 30068 1 730 . 1 1 95 95 GLU N N 15 116.530 0.000 . . . . . . A 83 GLU N . 30068 1 731 . 1 1 96 96 PRO HA H 1 5.371 0.000 . . . . . . A 84 PRO HA . 30068 1 732 . 1 1 96 96 PRO HB2 H 1 2.408 0.000 . . . . . . A 84 PRO HB2 . 30068 1 733 . 1 1 96 96 PRO HB3 H 1 1.914 0.000 . . . . . . A 84 PRO HB3 . 30068 1 734 . 1 1 96 96 PRO HG3 H 1 2.063 0.000 . . . . . . A 84 PRO HG3 . 30068 1 735 . 1 1 96 96 PRO HD2 H 1 3.587 0.000 . . . . . . A 84 PRO HD2 . 30068 1 736 . 1 1 96 96 PRO HD3 H 1 3.766 0.000 . . . . . . A 84 PRO HD3 . 30068 1 737 . 1 1 96 96 PRO CA C 13 63.080 0.000 . . . . . . A 84 PRO CA . 30068 1 738 . 1 1 96 96 PRO CB C 13 32.420 0.000 . . . . . . A 84 PRO CB . 30068 1 739 . 1 1 97 97 TYR H H 1 8.715 0.000 . . . . . . A 85 TYR H . 30068 1 740 . 1 1 97 97 TYR HA H 1 4.391 0.000 . . . . . . A 85 TYR HA . 30068 1 741 . 1 1 97 97 TYR HB2 H 1 2.665 0.000 . . . . . . A 85 TYR HB2 . 30068 1 742 . 1 1 97 97 TYR HB3 H 1 2.876 0.000 . . . . . . A 85 TYR HB3 . 30068 1 743 . 1 1 97 97 TYR HD1 H 1 7.200 0.000 . . . . . . A 85 TYR HD1 . 30068 1 744 . 1 1 97 97 TYR HD2 H 1 7.200 0.000 . . . . . . A 85 TYR HD2 . 30068 1 745 . 1 1 97 97 TYR HE1 H 1 6.775 0.000 . . . . . . A 85 TYR HE1 . 30068 1 746 . 1 1 97 97 TYR HE2 H 1 6.775 0.000 . . . . . . A 85 TYR HE2 . 30068 1 747 . 1 1 97 97 TYR CA C 13 61.100 0.000 . . . . . . A 85 TYR CA . 30068 1 748 . 1 1 97 97 TYR CB C 13 42.300 0.000 . . . . . . A 85 TYR CB . 30068 1 749 . 1 1 97 97 TYR N N 15 128.100 0.000 . . . . . . A 85 TYR N . 30068 1 stop_ save_