data_25706 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25706 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments of PKS domains ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-14 _Entry.Accession_date 2015-07-14 _Entry.Last_release_date 2016-03-21 _Entry.Original_release_date 2016-03-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'fusion protein of two domains' _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 Gonathan Dorival . . . . 25706 2 Thibault Annaval . . . . 25706 3 Fanny Risser . . . . 25706 4 Sabrina Collin . . . . 25706 5 Pierre Roblin . . . . 25706 6 Christophe Jacob . . . . 25706 7 Arnaud Gruez . . . . 25706 8 Benjamin Chagot . . . . 25706 9 Kira Weissman . J. . . 25706 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25706 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'docking domain' . 25706 nmr . 25706 'polyketide synthase' . 25706 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25706 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 25706 '15N chemical shifts' 80 25706 '1H chemical shifts' 518 25706 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 . . 2016-10-20 2015-07-14 update BMRB 'update entry citation' 25706 1 . . 2016-03-21 2015-07-14 original author 'original release' 25706 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID NCBI 134287118 . 25706 PDB 2N5D . 25706 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25706 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26982529 _Citation.Full_citation . _Citation.Title ; Characterization of Intersubunit Communication in the Virginiamycin trans-Acyl Transferase Polyketide Synthase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 138 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4155 _Citation.Page_last 4167 _Citation.Year 2016 _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 Gonathan Dorival . . . . 25706 1 2 Thibault Annaval . . . . 25706 1 3 Fanny Risser . . . . 25706 1 4 Sabrina Collin . . . . 25706 1 5 Pierre Roblin . . . . 25706 1 6 Christophe Jacob . . . . 25706 1 7 Arnaud Gruez . . . . 25706 1 8 Benjamin Chagot . . . . 25706 1 9 Kira Weissman . J. . . 25706 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25706 _Assembly.ID 1 _Assembly.Name 'VirA VirFG fusion' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25706 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25706 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GPGSYTGAGEPSQADLDALL SAVRDNRLSIEQAVTLLTPR RGGGSGGGSMDAKEILTRFK DGGLDRAAAQALLAGRTPAA APRP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-5 represent a non-native affinity tag. Residues 6-41 is from VirA protein. Residues 42-49 is an non-native fusion linker. Residues 50-88 is from VirFG protein. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8455.489 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB BAF50727.1 . virA . . . . . . . . . . . . . . 25706 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25706 1 2 2 PRO . 25706 1 3 3 GLY . 25706 1 4 4 SER . 25706 1 5 5 TYR . 25706 1 6 6 THR . 25706 1 7 7 GLY . 25706 1 8 8 ALA . 25706 1 9 9 GLY . 25706 1 10 10 GLU . 25706 1 11 11 PRO . 25706 1 12 12 SER . 25706 1 13 13 GLN . 25706 1 14 14 ALA . 25706 1 15 15 ASP . 25706 1 16 16 LEU . 25706 1 17 17 ASP . 25706 1 18 18 ALA . 25706 1 19 19 LEU . 25706 1 20 20 LEU . 25706 1 21 21 SER . 25706 1 22 22 ALA . 25706 1 23 23 VAL . 25706 1 24 24 ARG . 25706 1 25 25 ASP . 25706 1 26 26 ASN . 25706 1 27 27 ARG . 25706 1 28 28 LEU . 25706 1 29 29 SER . 25706 1 30 30 ILE . 25706 1 31 31 GLU . 25706 1 32 32 GLN . 25706 1 33 33 ALA . 25706 1 34 34 VAL . 25706 1 35 35 THR . 25706 1 36 36 LEU . 25706 1 37 37 LEU . 25706 1 38 38 THR . 25706 1 39 39 PRO . 25706 1 40 40 ARG . 25706 1 41 41 ARG . 25706 1 42 42 GLY . 25706 1 43 43 GLY . 25706 1 44 44 GLY . 25706 1 45 45 SER . 25706 1 46 46 GLY . 25706 1 47 47 GLY . 25706 1 48 48 GLY . 25706 1 49 49 SER . 25706 1 50 50 MET . 25706 1 51 51 ASP . 25706 1 52 52 ALA . 25706 1 53 53 LYS . 25706 1 54 54 GLU . 25706 1 55 55 ILE . 25706 1 56 56 LEU . 25706 1 57 57 THR . 25706 1 58 58 ARG . 25706 1 59 59 PHE . 25706 1 60 60 LYS . 25706 1 61 61 ASP . 25706 1 62 62 GLY . 25706 1 63 63 GLY . 25706 1 64 64 LEU . 25706 1 65 65 ASP . 25706 1 66 66 ARG . 25706 1 67 67 ALA . 25706 1 68 68 ALA . 25706 1 69 69 ALA . 25706 1 70 70 GLN . 25706 1 71 71 ALA . 25706 1 72 72 LEU . 25706 1 73 73 LEU . 25706 1 74 74 ALA . 25706 1 75 75 GLY . 25706 1 76 76 ARG . 25706 1 77 77 THR . 25706 1 78 78 PRO . 25706 1 79 79 ALA . 25706 1 80 80 ALA . 25706 1 81 81 ALA . 25706 1 82 82 PRO . 25706 1 83 83 ARG . 25706 1 84 84 PRO . 25706 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25706 1 . PRO 2 2 25706 1 . GLY 3 3 25706 1 . SER 4 4 25706 1 . TYR 5 5 25706 1 . THR 6 6 25706 1 . GLY 7 7 25706 1 . ALA 8 8 25706 1 . GLY 9 9 25706 1 . GLU 10 10 25706 1 . PRO 11 11 25706 1 . SER 12 12 25706 1 . GLN 13 13 25706 1 . ALA 14 14 25706 1 . ASP 15 15 25706 1 . LEU 16 16 25706 1 . ASP 17 17 25706 1 . ALA 18 18 25706 1 . LEU 19 19 25706 1 . LEU 20 20 25706 1 . SER 21 21 25706 1 . ALA 22 22 25706 1 . VAL 23 23 25706 1 . ARG 24 24 25706 1 . ASP 25 25 25706 1 . ASN 26 26 25706 1 . ARG 27 27 25706 1 . LEU 28 28 25706 1 . SER 29 29 25706 1 . ILE 30 30 25706 1 . GLU 31 31 25706 1 . GLN 32 32 25706 1 . ALA 33 33 25706 1 . VAL 34 34 25706 1 . THR 35 35 25706 1 . LEU 36 36 25706 1 . LEU 37 37 25706 1 . THR 38 38 25706 1 . PRO 39 39 25706 1 . ARG 40 40 25706 1 . ARG 41 41 25706 1 . GLY 42 42 25706 1 . GLY 43 43 25706 1 . GLY 44 44 25706 1 . SER 45 45 25706 1 . GLY 46 46 25706 1 . GLY 47 47 25706 1 . GLY 48 48 25706 1 . SER 49 49 25706 1 . MET 50 50 25706 1 . ASP 51 51 25706 1 . ALA 52 52 25706 1 . LYS 53 53 25706 1 . GLU 54 54 25706 1 . ILE 55 55 25706 1 . LEU 56 56 25706 1 . THR 57 57 25706 1 . ARG 58 58 25706 1 . PHE 59 59 25706 1 . LYS 60 60 25706 1 . ASP 61 61 25706 1 . GLY 62 62 25706 1 . GLY 63 63 25706 1 . LEU 64 64 25706 1 . ASP 65 65 25706 1 . ARG 66 66 25706 1 . ALA 67 67 25706 1 . ALA 68 68 25706 1 . ALA 69 69 25706 1 . GLN 70 70 25706 1 . ALA 71 71 25706 1 . LEU 72 72 25706 1 . LEU 73 73 25706 1 . ALA 74 74 25706 1 . GLY 75 75 25706 1 . ARG 76 76 25706 1 . THR 77 77 25706 1 . PRO 78 78 25706 1 . ALA 79 79 25706 1 . ALA 80 80 25706 1 . ALA 81 81 25706 1 . PRO 82 82 25706 1 . ARG 83 83 25706 1 . PRO 84 84 25706 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 25706 _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 . 1961 organism . 'Streptomyces virginiae' 'high GC Gram+' . . Bacteria . Streptomyces virginiae . . . . . . . . . . . . . 25706 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 25706 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pBG102 (pet27 derivative)' . . . 25706 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25706 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 25706 1 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 25706 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25706 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25706 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 25706 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'phosphate buffer 100 mM' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 25706 1 pH 6.5 . pH 25706 1 pressure 1 . atm 25706 1 temperature 298 . K 25706 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25706 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25706 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25706 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25706 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25706 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25706 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25706 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25706 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25706 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25706 _Software.ID 4 _Software.Name AMBER _Software.Version 14 _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' . . 25706 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25706 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 25706 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 25706 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25706 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25706 _Software.ID 6 _Software.Name TALOS _Software.Version + _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25706 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25706 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25706 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Avance III with cryoprobe TCI' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25706 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'Avance III with cryoprobe TCI' . . 25706 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 25706 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 25706 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25706 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25706 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25706 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25706 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25706 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25706 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25706 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25706 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25706 _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 0.00 na indirect 0.251449530 . . . . . 25706 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25706 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25706 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25706 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' . . . 25706 1 2 '2D 1H-13C HSQC' . . . 25706 1 3 '3D CBCA(CO)NH' . . . 25706 1 4 '3D HNCACB' . . . 25706 1 5 '3D HNCO' . . . 25706 1 6 '3D H(CCO)NH' . . . 25706 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.472 0.001 . 1 . . . A 2 PRO HA . 25706 1 2 . 1 1 2 2 PRO HB2 H 1 2.316 0.002 . 2 . . . A 2 PRO HB2 . 25706 1 3 . 1 1 2 2 PRO HB3 H 1 1.996 0.002 . 2 . . . A 2 PRO HB3 . 25706 1 4 . 1 1 2 2 PRO HG2 H 1 2.037 0.001 . 1 . . . A 2 PRO HG2 . 25706 1 5 . 1 1 2 2 PRO HG3 H 1 2.037 0.001 . 1 . . . A 2 PRO HG3 . 25706 1 6 . 1 1 2 2 PRO HD2 H 1 3.600 0.003 . 1 . . . A 2 PRO HD2 . 25706 1 7 . 1 1 2 2 PRO HD3 H 1 3.600 0.003 . 1 . . . A 2 PRO HD3 . 25706 1 8 . 1 1 2 2 PRO C C 13 177.459 0.000 . 1 . . . A 2 PRO C . 25706 1 9 . 1 1 2 2 PRO CA C 13 63.574 0.091 . 1 . . . A 2 PRO CA . 25706 1 10 . 1 1 2 2 PRO CB C 13 32.146 0.020 . 1 . . . A 2 PRO CB . 25706 1 11 . 1 1 2 2 PRO CG C 13 27.188 0.007 . 1 . . . A 2 PRO CG . 25706 1 12 . 1 1 2 2 PRO CD C 13 49.564 0.011 . 1 . . . A 2 PRO CD . 25706 1 13 . 1 1 3 3 GLY H H 1 8.645 0.001 . 1 . . . A 3 GLY H . 25706 1 14 . 1 1 3 3 GLY HA2 H 1 3.950 0.002 . 1 . . . A 3 GLY HA2 . 25706 1 15 . 1 1 3 3 GLY HA3 H 1 3.950 0.002 . 1 . . . A 3 GLY HA3 . 25706 1 16 . 1 1 3 3 GLY C C 13 174.103 0.000 . 1 . . . A 3 GLY C . 25706 1 17 . 1 1 3 3 GLY CA C 13 45.272 0.018 . 1 . . . A 3 GLY CA . 25706 1 18 . 1 1 3 3 GLY N N 15 109.882 0.014 . 1 . . . A 3 GLY N . 25706 1 19 . 1 1 4 4 SER H H 1 8.127 0.001 . 1 . . . A 4 SER H . 25706 1 20 . 1 1 4 4 SER HA H 1 4.438 0.000 . 1 . . . A 4 SER HA . 25706 1 21 . 1 1 4 4 SER HB2 H 1 3.798 0.002 . 1 . . . A 4 SER HB2 . 25706 1 22 . 1 1 4 4 SER HB3 H 1 3.798 0.002 . 1 . . . A 4 SER HB3 . 25706 1 23 . 1 1 4 4 SER C C 13 174.137 0.000 . 1 . . . A 4 SER C . 25706 1 24 . 1 1 4 4 SER CA C 13 58.319 0.074 . 1 . . . A 4 SER CA . 25706 1 25 . 1 1 4 4 SER CB C 13 63.864 0.044 . 1 . . . A 4 SER CB . 25706 1 26 . 1 1 4 4 SER N N 15 115.534 0.007 . 1 . . . A 4 SER N . 25706 1 27 . 1 1 5 5 TYR H H 1 8.349 0.001 . 1 . . . A 5 TYR H . 25706 1 28 . 1 1 5 5 TYR HA H 1 4.670 0.001 . 1 . . . A 5 TYR HA . 25706 1 29 . 1 1 5 5 TYR HB2 H 1 3.021 0.001 . 1 . . . A 5 TYR HB2 . 25706 1 30 . 1 1 5 5 TYR HB3 H 1 3.021 0.001 . 1 . . . A 5 TYR HB3 . 25706 1 31 . 1 1 5 5 TYR HD1 H 1 7.113 0.000 . 1 . . . A 5 TYR HD1 . 25706 1 32 . 1 1 5 5 TYR HD2 H 1 7.113 0.000 . 1 . . . A 5 TYR HD2 . 25706 1 33 . 1 1 5 5 TYR HE1 H 1 6.785 0.000 . 1 . . . A 5 TYR HE1 . 25706 1 34 . 1 1 5 5 TYR HE2 H 1 6.785 0.000 . 1 . . . A 5 TYR HE2 . 25706 1 35 . 1 1 5 5 TYR C C 13 176.109 0.000 . 1 . . . A 5 TYR C . 25706 1 36 . 1 1 5 5 TYR CA C 13 58.115 0.037 . 1 . . . A 5 TYR CA . 25706 1 37 . 1 1 5 5 TYR CB C 13 38.855 0.035 . 1 . . . A 5 TYR CB . 25706 1 38 . 1 1 5 5 TYR CD1 C 13 133.396 0.000 . 1 . . . A 5 TYR CD1 . 25706 1 39 . 1 1 5 5 TYR CD2 C 13 133.396 0.000 . 1 . . . A 5 TYR CD2 . 25706 1 40 . 1 1 5 5 TYR CE1 C 13 118.232 0.000 . 1 . . . A 5 TYR CE1 . 25706 1 41 . 1 1 5 5 TYR CE2 C 13 118.232 0.000 . 1 . . . A 5 TYR CE2 . 25706 1 42 . 1 1 5 5 TYR N N 15 122.533 0.011 . 1 . . . A 5 TYR N . 25706 1 43 . 1 1 6 6 THR H H 1 8.177 0.002 . 1 . . . A 6 THR H . 25706 1 44 . 1 1 6 6 THR HA H 1 4.305 0.001 . 1 . . . A 6 THR HA . 25706 1 45 . 1 1 6 6 THR HB H 1 4.231 0.001 . 1 . . . A 6 THR HB . 25706 1 46 . 1 1 6 6 THR HG21 H 1 1.208 0.055 . 1 . . . A 6 THR HG21 . 25706 1 47 . 1 1 6 6 THR HG22 H 1 1.208 0.055 . 1 . . . A 6 THR HG22 . 25706 1 48 . 1 1 6 6 THR HG23 H 1 1.208 0.055 . 1 . . . A 6 THR HG23 . 25706 1 49 . 1 1 6 6 THR C C 13 174.899 0.000 . 1 . . . A 6 THR C . 25706 1 50 . 1 1 6 6 THR CA C 13 61.743 0.054 . 1 . . . A 6 THR CA . 25706 1 51 . 1 1 6 6 THR CB C 13 69.859 0.063 . 1 . . . A 6 THR CB . 25706 1 52 . 1 1 6 6 THR CG2 C 13 21.573 0.124 . 1 . . . A 6 THR CG2 . 25706 1 53 . 1 1 6 6 THR N N 15 116.290 0.168 . 1 . . . A 6 THR N . 25706 1 54 . 1 1 7 7 GLY H H 1 7.646 0.001 . 1 . . . A 7 GLY H . 25706 1 55 . 1 1 7 7 GLY HA2 H 1 3.876 0.002 . 1 . . . A 7 GLY HA2 . 25706 1 56 . 1 1 7 7 GLY HA3 H 1 3.876 0.002 . 1 . . . A 7 GLY HA3 . 25706 1 57 . 1 1 7 7 GLY C C 13 173.596 0.000 . 1 . . . A 7 GLY C . 25706 1 58 . 1 1 7 7 GLY CA C 13 45.347 0.007 . 1 . . . A 7 GLY CA . 25706 1 59 . 1 1 7 7 GLY N N 15 110.576 0.003 . 1 . . . A 7 GLY N . 25706 1 60 . 1 1 8 8 ALA H H 1 8.171 0.001 . 1 . . . A 8 ALA H . 25706 1 61 . 1 1 8 8 ALA HA H 1 4.355 0.000 . 1 . . . A 8 ALA HA . 25706 1 62 . 1 1 8 8 ALA HB1 H 1 1.369 0.003 . 1 . . . A 8 ALA HB1 . 25706 1 63 . 1 1 8 8 ALA HB2 H 1 1.369 0.003 . 1 . . . A 8 ALA HB2 . 25706 1 64 . 1 1 8 8 ALA HB3 H 1 1.369 0.003 . 1 . . . A 8 ALA HB3 . 25706 1 65 . 1 1 8 8 ALA C C 13 178.119 0.000 . 1 . . . A 8 ALA C . 25706 1 66 . 1 1 8 8 ALA CA C 13 52.547 0.027 . 1 . . . A 8 ALA CA . 25706 1 67 . 1 1 8 8 ALA CB C 13 19.387 0.021 . 1 . . . A 8 ALA CB . 25706 1 68 . 1 1 8 8 ALA N N 15 123.499 0.010 . 1 . . . A 8 ALA N . 25706 1 69 . 1 1 9 9 GLY H H 1 8.398 0.001 . 1 . . . A 9 GLY H . 25706 1 70 . 1 1 9 9 GLY HA2 H 1 3.939 0.002 . 1 . . . A 9 GLY HA2 . 25706 1 71 . 1 1 9 9 GLY HA3 H 1 3.939 0.002 . 1 . . . A 9 GLY HA3 . 25706 1 72 . 1 1 9 9 GLY C C 13 173.664 0.000 . 1 . . . A 9 GLY C . 25706 1 73 . 1 1 9 9 GLY CA C 13 45.129 0.072 . 1 . . . A 9 GLY CA . 25706 1 74 . 1 1 9 9 GLY N N 15 108.467 0.019 . 1 . . . A 9 GLY N . 25706 1 75 . 1 1 10 10 GLU H H 1 8.230 0.002 . 1 . . . A 10 GLU H . 25706 1 76 . 1 1 10 10 GLU HA H 1 4.598 0.007 . 1 . . . A 10 GLU HA . 25706 1 77 . 1 1 10 10 GLU HB2 H 1 2.038 0.002 . 2 . . . A 10 GLU HB2 . 25706 1 78 . 1 1 10 10 GLU HB3 H 1 1.890 0.002 . 2 . . . A 10 GLU HB3 . 25706 1 79 . 1 1 10 10 GLU HG2 H 1 2.272 0.000 . 1 . . . A 10 GLU HG2 . 25706 1 80 . 1 1 10 10 GLU HG3 H 1 2.272 0.000 . 1 . . . A 10 GLU HG3 . 25706 1 81 . 1 1 10 10 GLU CA C 13 54.252 0.159 . 1 . . . A 10 GLU CA . 25706 1 82 . 1 1 10 10 GLU CB C 13 29.959 0.188 . 1 . . . A 10 GLU CB . 25706 1 83 . 1 1 10 10 GLU CG C 13 35.956 0.048 . 1 . . . A 10 GLU CG . 25706 1 84 . 1 1 10 10 GLU N N 15 121.535 0.009 . 1 . . . A 10 GLU N . 25706 1 85 . 1 1 11 11 PRO HA H 1 4.454 0.001 . 1 . . . A 11 PRO HA . 25706 1 86 . 1 1 11 11 PRO HB2 H 1 2.175 0.000 . 2 . . . A 11 PRO HB2 . 25706 1 87 . 1 1 11 11 PRO HB3 H 1 1.865 0.000 . 2 . . . A 11 PRO HB3 . 25706 1 88 . 1 1 11 11 PRO HD2 H 1 3.866 0.006 . 2 . . . A 11 PRO HD2 . 25706 1 89 . 1 1 11 11 PRO HD3 H 1 3.712 0.004 . 2 . . . A 11 PRO HD3 . 25706 1 90 . 1 1 11 11 PRO C C 13 176.799 0.000 . 1 . . . A 11 PRO C . 25706 1 91 . 1 1 11 11 PRO CA C 13 63.302 0.103 . 1 . . . A 11 PRO CA . 25706 1 92 . 1 1 11 11 PRO CB C 13 32.024 0.037 . 1 . . . A 11 PRO CB . 25706 1 93 . 1 1 11 11 PRO CG C 13 27.414 0.000 . 1 . . . A 11 PRO CG . 25706 1 94 . 1 1 11 11 PRO CD C 13 51.012 0.066 . 1 . . . A 11 PRO CD . 25706 1 95 . 1 1 12 12 SER H H 1 8.721 0.003 . 1 . . . A 12 SER H . 25706 1 96 . 1 1 12 12 SER HA H 1 4.469 0.003 . 1 . . . A 12 SER HA . 25706 1 97 . 1 1 12 12 SER HB2 H 1 4.117 0.000 . 2 . . . A 12 SER HB2 . 25706 1 98 . 1 1 12 12 SER HB3 H 1 3.951 0.000 . 2 . . . A 12 SER HB3 . 25706 1 99 . 1 1 12 12 SER C C 13 174.904 0.000 . 1 . . . A 12 SER C . 25706 1 100 . 1 1 12 12 SER CA C 13 57.876 0.081 . 1 . . . A 12 SER CA . 25706 1 101 . 1 1 12 12 SER CB C 13 64.624 0.083 . 1 . . . A 12 SER CB . 25706 1 102 . 1 1 12 12 SER N N 15 117.122 0.020 . 1 . . . A 12 SER N . 25706 1 103 . 1 1 13 13 GLN H H 1 8.660 0.001 . 1 . . . A 13 GLN H . 25706 1 104 . 1 1 13 13 GLN HA H 1 4.120 0.002 . 1 . . . A 13 GLN HA . 25706 1 105 . 1 1 13 13 GLN HB2 H 1 2.077 0.001 . 1 . . . A 13 GLN HB2 . 25706 1 106 . 1 1 13 13 GLN HB3 H 1 2.077 0.001 . 1 . . . A 13 GLN HB3 . 25706 1 107 . 1 1 13 13 GLN HG2 H 1 2.374 0.001 . 1 . . . A 13 GLN HG2 . 25706 1 108 . 1 1 13 13 GLN HG3 H 1 2.374 0.001 . 1 . . . A 13 GLN HG3 . 25706 1 109 . 1 1 13 13 GLN HE21 H 1 6.775 0.000 . 1 . . . A 13 GLN HE21 . 25706 1 110 . 1 1 13 13 GLN HE22 H 1 7.642 0.000 . 1 . . . A 13 GLN HE22 . 25706 1 111 . 1 1 13 13 GLN C C 13 178.113 0.000 . 1 . . . A 13 GLN C . 25706 1 112 . 1 1 13 13 GLN CA C 13 57.857 0.061 . 1 . . . A 13 GLN CA . 25706 1 113 . 1 1 13 13 GLN CB C 13 28.742 0.064 . 1 . . . A 13 GLN CB . 25706 1 114 . 1 1 13 13 GLN CG C 13 33.886 0.028 . 1 . . . A 13 GLN CG . 25706 1 115 . 1 1 13 13 GLN N N 15 121.678 0.011 . 1 . . . A 13 GLN N . 25706 1 116 . 1 1 13 13 GLN NE2 N 15 112.527 0.002 . 1 . . . A 13 GLN NE2 . 25706 1 117 . 1 1 14 14 ALA H H 1 8.251 0.003 . 1 . . . A 14 ALA H . 25706 1 118 . 1 1 14 14 ALA HA H 1 4.208 0.000 . 1 . . . A 14 ALA HA . 25706 1 119 . 1 1 14 14 ALA HB1 H 1 1.364 0.002 . 1 . . . A 14 ALA HB1 . 25706 1 120 . 1 1 14 14 ALA HB2 H 1 1.364 0.002 . 1 . . . A 14 ALA HB2 . 25706 1 121 . 1 1 14 14 ALA HB3 H 1 1.364 0.002 . 1 . . . A 14 ALA HB3 . 25706 1 122 . 1 1 14 14 ALA C C 13 179.168 0.000 . 1 . . . A 14 ALA C . 25706 1 123 . 1 1 14 14 ALA CA C 13 54.063 0.067 . 1 . . . A 14 ALA CA . 25706 1 124 . 1 1 14 14 ALA CB C 13 18.974 0.210 . 1 . . . A 14 ALA CB . 25706 1 125 . 1 1 14 14 ALA N N 15 122.557 0.040 . 1 . . . A 14 ALA N . 25706 1 126 . 1 1 15 15 ASP H H 1 8.049 0.001 . 1 . . . A 15 ASP H . 25706 1 127 . 1 1 15 15 ASP HA H 1 4.495 0.003 . 1 . . . A 15 ASP HA . 25706 1 128 . 1 1 15 15 ASP HB2 H 1 2.738 0.002 . 1 . . . A 15 ASP HB2 . 25706 1 129 . 1 1 15 15 ASP HB3 H 1 2.738 0.002 . 1 . . . A 15 ASP HB3 . 25706 1 130 . 1 1 15 15 ASP C C 13 178.121 0.000 . 1 . . . A 15 ASP C . 25706 1 131 . 1 1 15 15 ASP CA C 13 55.503 0.121 . 1 . . . A 15 ASP CA . 25706 1 132 . 1 1 15 15 ASP CB C 13 40.585 0.036 . 1 . . . A 15 ASP CB . 25706 1 133 . 1 1 15 15 ASP N N 15 120.191 0.010 . 1 . . . A 15 ASP N . 25706 1 134 . 1 1 16 16 LEU H H 1 8.258 0.003 . 1 . . . A 16 LEU H . 25706 1 135 . 1 1 16 16 LEU HA H 1 4.003 0.000 . 1 . . . A 16 LEU HA . 25706 1 136 . 1 1 16 16 LEU HB2 H 1 1.819 0.003 . 2 . . . A 16 LEU HB2 . 25706 1 137 . 1 1 16 16 LEU HB3 H 1 1.359 0.001 . 2 . . . A 16 LEU HB3 . 25706 1 138 . 1 1 16 16 LEU HG H 1 1.678 0.002 . 1 . . . A 16 LEU HG . 25706 1 139 . 1 1 16 16 LEU HD11 H 1 0.861 0.001 . 2 . . . A 16 LEU HD11 . 25706 1 140 . 1 1 16 16 LEU HD12 H 1 0.861 0.001 . 2 . . . A 16 LEU HD12 . 25706 1 141 . 1 1 16 16 LEU HD13 H 1 0.861 0.001 . 2 . . . A 16 LEU HD13 . 25706 1 142 . 1 1 16 16 LEU HD21 H 1 0.796 0.005 . 2 . . . A 16 LEU HD21 . 25706 1 143 . 1 1 16 16 LEU HD22 H 1 0.796 0.005 . 2 . . . A 16 LEU HD22 . 25706 1 144 . 1 1 16 16 LEU HD23 H 1 0.796 0.005 . 2 . . . A 16 LEU HD23 . 25706 1 145 . 1 1 16 16 LEU C C 13 178.320 0.000 . 1 . . . A 16 LEU C . 25706 1 146 . 1 1 16 16 LEU CA C 13 57.735 0.109 . 1 . . . A 16 LEU CA . 25706 1 147 . 1 1 16 16 LEU CB C 13 41.917 0.032 . 1 . . . A 16 LEU CB . 25706 1 148 . 1 1 16 16 LEU CG C 13 27.092 0.009 . 1 . . . A 16 LEU CG . 25706 1 149 . 1 1 16 16 LEU CD1 C 13 25.248 0.064 . 2 . . . A 16 LEU CD1 . 25706 1 150 . 1 1 16 16 LEU CD2 C 13 24.276 0.010 . 2 . . . A 16 LEU CD2 . 25706 1 151 . 1 1 16 16 LEU N N 15 122.661 0.037 . 1 . . . A 16 LEU N . 25706 1 152 . 1 1 17 17 ASP H H 1 8.299 0.002 . 1 . . . A 17 ASP H . 25706 1 153 . 1 1 17 17 ASP HA H 1 4.243 0.001 . 1 . . . A 17 ASP HA . 25706 1 154 . 1 1 17 17 ASP HB2 H 1 2.717 0.003 . 2 . . . A 17 ASP HB2 . 25706 1 155 . 1 1 17 17 ASP HB3 H 1 2.629 0.001 . 2 . . . A 17 ASP HB3 . 25706 1 156 . 1 1 17 17 ASP C C 13 178.534 0.000 . 1 . . . A 17 ASP C . 25706 1 157 . 1 1 17 17 ASP CA C 13 58.094 0.021 . 1 . . . A 17 ASP CA . 25706 1 158 . 1 1 17 17 ASP CB C 13 41.455 0.091 . 1 . . . A 17 ASP CB . 25706 1 159 . 1 1 17 17 ASP N N 15 119.364 0.004 . 1 . . . A 17 ASP N . 25706 1 160 . 1 1 18 18 ALA H H 1 7.851 0.002 . 1 . . . A 18 ALA H . 25706 1 161 . 1 1 18 18 ALA HA H 1 4.125 0.005 . 1 . . . A 18 ALA HA . 25706 1 162 . 1 1 18 18 ALA HB1 H 1 1.492 0.001 . 1 . . . A 18 ALA HB1 . 25706 1 163 . 1 1 18 18 ALA HB2 H 1 1.492 0.001 . 1 . . . A 18 ALA HB2 . 25706 1 164 . 1 1 18 18 ALA HB3 H 1 1.492 0.001 . 1 . . . A 18 ALA HB3 . 25706 1 165 . 1 1 18 18 ALA C C 13 180.942 0.000 . 1 . . . A 18 ALA C . 25706 1 166 . 1 1 18 18 ALA CA C 13 54.947 0.081 . 1 . . . A 18 ALA CA . 25706 1 167 . 1 1 18 18 ALA CB C 13 18.217 0.150 . 1 . . . A 18 ALA CB . 25706 1 168 . 1 1 18 18 ALA N N 15 121.057 0.009 . 1 . . . A 18 ALA N . 25706 1 169 . 1 1 19 19 LEU H H 1 7.941 0.001 . 1 . . . A 19 LEU H . 25706 1 170 . 1 1 19 19 LEU HA H 1 3.975 0.004 . 1 . . . A 19 LEU HA . 25706 1 171 . 1 1 19 19 LEU HB2 H 1 1.787 0.005 . 2 . . . A 19 LEU HB2 . 25706 1 172 . 1 1 19 19 LEU HB3 H 1 1.711 0.000 . 2 . . . A 19 LEU HB3 . 25706 1 173 . 1 1 19 19 LEU HG H 1 1.598 0.003 . 1 . . . A 19 LEU HG . 25706 1 174 . 1 1 19 19 LEU HD11 H 1 0.744 0.003 . 2 . . . A 19 LEU HD11 . 25706 1 175 . 1 1 19 19 LEU HD12 H 1 0.744 0.003 . 2 . . . A 19 LEU HD12 . 25706 1 176 . 1 1 19 19 LEU HD13 H 1 0.744 0.003 . 2 . . . A 19 LEU HD13 . 25706 1 177 . 1 1 19 19 LEU HD21 H 1 0.828 0.001 . 2 . . . A 19 LEU HD21 . 25706 1 178 . 1 1 19 19 LEU HD22 H 1 0.828 0.001 . 2 . . . A 19 LEU HD22 . 25706 1 179 . 1 1 19 19 LEU HD23 H 1 0.828 0.001 . 2 . . . A 19 LEU HD23 . 25706 1 180 . 1 1 19 19 LEU C C 13 178.447 0.000 . 1 . . . A 19 LEU C . 25706 1 181 . 1 1 19 19 LEU CA C 13 58.814 0.044 . 1 . . . A 19 LEU CA . 25706 1 182 . 1 1 19 19 LEU CB C 13 42.373 0.124 . 1 . . . A 19 LEU CB . 25706 1 183 . 1 1 19 19 LEU CG C 13 27.276 0.064 . 1 . . . A 19 LEU CG . 25706 1 184 . 1 1 19 19 LEU CD1 C 13 25.193 0.064 . 2 . . . A 19 LEU CD1 . 25706 1 185 . 1 1 19 19 LEU CD2 C 13 26.347 0.170 . 2 . . . A 19 LEU CD2 . 25706 1 186 . 1 1 19 19 LEU N N 15 122.159 0.010 . 1 . . . A 19 LEU N . 25706 1 187 . 1 1 20 20 LEU H H 1 8.454 0.001 . 1 . . . A 20 LEU H . 25706 1 188 . 1 1 20 20 LEU HA H 1 3.710 0.001 . 1 . . . A 20 LEU HA . 25706 1 189 . 1 1 20 20 LEU HB2 H 1 1.784 0.000 . 2 . . . A 20 LEU HB2 . 25706 1 190 . 1 1 20 20 LEU HB3 H 1 0.964 0.002 . 2 . . . A 20 LEU HB3 . 25706 1 191 . 1 1 20 20 LEU HG H 1 1.537 0.006 . 1 . . . A 20 LEU HG . 25706 1 192 . 1 1 20 20 LEU HD11 H 1 0.445 0.001 . 2 . . . A 20 LEU HD11 . 25706 1 193 . 1 1 20 20 LEU HD12 H 1 0.445 0.001 . 2 . . . A 20 LEU HD12 . 25706 1 194 . 1 1 20 20 LEU HD13 H 1 0.445 0.001 . 2 . . . A 20 LEU HD13 . 25706 1 195 . 1 1 20 20 LEU HD21 H 1 -0.078 0.001 . 2 . . . A 20 LEU HD21 . 25706 1 196 . 1 1 20 20 LEU HD22 H 1 -0.078 0.001 . 2 . . . A 20 LEU HD22 . 25706 1 197 . 1 1 20 20 LEU HD23 H 1 -0.078 0.001 . 2 . . . A 20 LEU HD23 . 25706 1 198 . 1 1 20 20 LEU C C 13 179.763 0.000 . 1 . . . A 20 LEU C . 25706 1 199 . 1 1 20 20 LEU CA C 13 58.397 0.019 . 1 . . . A 20 LEU CA . 25706 1 200 . 1 1 20 20 LEU CB C 13 39.866 0.020 . 1 . . . A 20 LEU CB . 25706 1 201 . 1 1 20 20 LEU CG C 13 26.856 0.053 . 1 . . . A 20 LEU CG . 25706 1 202 . 1 1 20 20 LEU CD1 C 13 26.039 0.017 . 2 . . . A 20 LEU CD1 . 25706 1 203 . 1 1 20 20 LEU CD2 C 13 21.846 0.043 . 2 . . . A 20 LEU CD2 . 25706 1 204 . 1 1 20 20 LEU N N 15 119.065 0.002 . 1 . . . A 20 LEU N . 25706 1 205 . 1 1 21 21 SER H H 1 8.248 0.002 . 1 . . . A 21 SER H . 25706 1 206 . 1 1 21 21 SER HA H 1 4.199 0.001 . 1 . . . A 21 SER HA . 25706 1 207 . 1 1 21 21 SER HB2 H 1 4.028 0.000 . 2 . . . A 21 SER HB2 . 25706 1 208 . 1 1 21 21 SER HB3 H 1 3.947 0.002 . 2 . . . A 21 SER HB3 . 25706 1 209 . 1 1 21 21 SER C C 13 175.002 0.000 . 1 . . . A 21 SER C . 25706 1 210 . 1 1 21 21 SER CA C 13 62.502 0.117 . 1 . . . A 21 SER CA . 25706 1 211 . 1 1 21 21 SER CB C 13 62.806 0.089 . 1 . . . A 21 SER CB . 25706 1 212 . 1 1 21 21 SER N N 15 115.603 0.005 . 1 . . . A 21 SER N . 25706 1 213 . 1 1 22 22 ALA H H 1 7.982 0.001 . 1 . . . A 22 ALA H . 25706 1 214 . 1 1 22 22 ALA HA H 1 4.066 0.005 . 1 . . . A 22 ALA HA . 25706 1 215 . 1 1 22 22 ALA HB1 H 1 1.437 0.001 . 1 . . . A 22 ALA HB1 . 25706 1 216 . 1 1 22 22 ALA HB2 H 1 1.437 0.001 . 1 . . . A 22 ALA HB2 . 25706 1 217 . 1 1 22 22 ALA HB3 H 1 1.437 0.001 . 1 . . . A 22 ALA HB3 . 25706 1 218 . 1 1 22 22 ALA C C 13 180.273 0.000 . 1 . . . A 22 ALA C . 25706 1 219 . 1 1 22 22 ALA CA C 13 55.487 0.077 . 1 . . . A 22 ALA CA . 25706 1 220 . 1 1 22 22 ALA CB C 13 18.231 0.228 . 1 . . . A 22 ALA CB . 25706 1 221 . 1 1 22 22 ALA N N 15 123.437 0.011 . 1 . . . A 22 ALA N . 25706 1 222 . 1 1 23 23 VAL H H 1 8.382 0.001 . 1 . . . A 23 VAL H . 25706 1 223 . 1 1 23 23 VAL HA H 1 4.233 0.002 . 1 . . . A 23 VAL HA . 25706 1 224 . 1 1 23 23 VAL HB H 1 2.398 0.003 . 1 . . . A 23 VAL HB . 25706 1 225 . 1 1 23 23 VAL HG11 H 1 1.086 0.001 . 2 . . . A 23 VAL HG11 . 25706 1 226 . 1 1 23 23 VAL HG12 H 1 1.086 0.001 . 2 . . . A 23 VAL HG12 . 25706 1 227 . 1 1 23 23 VAL HG13 H 1 1.086 0.001 . 2 . . . A 23 VAL HG13 . 25706 1 228 . 1 1 23 23 VAL HG21 H 1 1.018 0.001 . 2 . . . A 23 VAL HG21 . 25706 1 229 . 1 1 23 23 VAL HG22 H 1 1.018 0.001 . 2 . . . A 23 VAL HG22 . 25706 1 230 . 1 1 23 23 VAL HG23 H 1 1.018 0.001 . 2 . . . A 23 VAL HG23 . 25706 1 231 . 1 1 23 23 VAL C C 13 180.144 0.000 . 1 . . . A 23 VAL C . 25706 1 232 . 1 1 23 23 VAL CA C 13 65.474 0.041 . 1 . . . A 23 VAL CA . 25706 1 233 . 1 1 23 23 VAL CB C 13 32.211 0.036 . 1 . . . A 23 VAL CB . 25706 1 234 . 1 1 23 23 VAL CG1 C 13 21.559 0.019 . 2 . . . A 23 VAL CG1 . 25706 1 235 . 1 1 23 23 VAL CG2 C 13 23.510 0.066 . 2 . . . A 23 VAL CG2 . 25706 1 236 . 1 1 23 23 VAL N N 15 119.580 0.016 . 1 . . . A 23 VAL N . 25706 1 237 . 1 1 24 24 ARG H H 1 8.589 0.001 . 1 . . . A 24 ARG H . 25706 1 238 . 1 1 24 24 ARG HA H 1 3.921 0.002 . 1 . . . A 24 ARG HA . 25706 1 239 . 1 1 24 24 ARG HB2 H 1 2.245 0.004 . 2 . . . A 24 ARG HB2 . 25706 1 240 . 1 1 24 24 ARG HB3 H 1 2.048 0.003 . 2 . . . A 24 ARG HB3 . 25706 1 241 . 1 1 24 24 ARG HG2 H 1 1.722 0.005 . 2 . . . A 24 ARG HG2 . 25706 1 242 . 1 1 24 24 ARG HG3 H 1 1.655 0.003 . 2 . . . A 24 ARG HG3 . 25706 1 243 . 1 1 24 24 ARG HD2 H 1 3.184 0.002 . 2 . . . A 24 ARG HD2 . 25706 1 244 . 1 1 24 24 ARG HD3 H 1 3.056 0.002 . 2 . . . A 24 ARG HD3 . 25706 1 245 . 1 1 24 24 ARG C C 13 177.169 0.000 . 1 . . . A 24 ARG C . 25706 1 246 . 1 1 24 24 ARG CA C 13 59.514 0.044 . 1 . . . A 24 ARG CA . 25706 1 247 . 1 1 24 24 ARG CB C 13 29.895 0.032 . 1 . . . A 24 ARG CB . 25706 1 248 . 1 1 24 24 ARG CG C 13 26.456 0.033 . 1 . . . A 24 ARG CG . 25706 1 249 . 1 1 24 24 ARG CD C 13 43.415 0.049 . 1 . . . A 24 ARG CD . 25706 1 250 . 1 1 24 24 ARG N N 15 122.585 0.007 . 1 . . . A 24 ARG N . 25706 1 251 . 1 1 25 25 ASP H H 1 8.083 0.002 . 1 . . . A 25 ASP H . 25706 1 252 . 1 1 25 25 ASP HB2 H 1 2.672 0.000 . 2 . . . A 25 ASP HB2 . 25706 1 253 . 1 1 25 25 ASP HB3 H 1 2.959 0.000 . 2 . . . A 25 ASP HB3 . 25706 1 254 . 1 1 25 25 ASP C C 13 175.579 0.000 . 1 . . . A 25 ASP C . 25706 1 255 . 1 1 25 25 ASP CA C 13 54.353 0.000 . 1 . . . A 25 ASP CA . 25706 1 256 . 1 1 25 25 ASP CB C 13 40.715 0.032 . 1 . . . A 25 ASP CB . 25706 1 257 . 1 1 25 25 ASP N N 15 115.538 0.016 . 1 . . . A 25 ASP N . 25706 1 258 . 1 1 26 26 ASN H H 1 7.860 0.001 . 1 . . . A 26 ASN H . 25706 1 259 . 1 1 26 26 ASN HA H 1 4.492 0.008 . 1 . . . A 26 ASN HA . 25706 1 260 . 1 1 26 26 ASN HB2 H 1 3.148 0.004 . 2 . . . A 26 ASN HB2 . 25706 1 261 . 1 1 26 26 ASN HB3 H 1 2.943 0.004 . 2 . . . A 26 ASN HB3 . 25706 1 262 . 1 1 26 26 ASN HD21 H 1 7.557 0.000 . 1 . . . A 26 ASN HD21 . 25706 1 263 . 1 1 26 26 ASN HD22 H 1 6.952 0.000 . 1 . . . A 26 ASN HD22 . 25706 1 264 . 1 1 26 26 ASN C C 13 174.953 0.000 . 1 . . . A 26 ASN C . 25706 1 265 . 1 1 26 26 ASN CA C 13 55.223 0.072 . 1 . . . A 26 ASN CA . 25706 1 266 . 1 1 26 26 ASN CB C 13 37.451 0.024 . 1 . . . A 26 ASN CB . 25706 1 267 . 1 1 26 26 ASN N N 15 113.668 0.004 . 1 . . . A 26 ASN N . 25706 1 268 . 1 1 26 26 ASN ND2 N 15 113.420 0.008 . 1 . . . A 26 ASN ND2 . 25706 1 269 . 1 1 27 27 ARG H H 1 8.700 0.001 . 1 . . . A 27 ARG H . 25706 1 270 . 1 1 27 27 ARG HA H 1 4.303 0.001 . 1 . . . A 27 ARG HA . 25706 1 271 . 1 1 27 27 ARG HB2 H 1 1.970 0.001 . 2 . . . A 27 ARG HB2 . 25706 1 272 . 1 1 27 27 ARG HB3 H 1 1.702 0.000 . 2 . . . A 27 ARG HB3 . 25706 1 273 . 1 1 27 27 ARG HG2 H 1 1.670 0.000 . 1 . . . A 27 ARG HG2 . 25706 1 274 . 1 1 27 27 ARG HG3 H 1 1.670 0.000 . 1 . . . A 27 ARG HG3 . 25706 1 275 . 1 1 27 27 ARG HD2 H 1 3.323 0.000 . 2 . . . A 27 ARG HD2 . 25706 1 276 . 1 1 27 27 ARG HD3 H 1 3.253 0.001 . 2 . . . A 27 ARG HD3 . 25706 1 277 . 1 1 27 27 ARG C C 13 176.011 0.000 . 1 . . . A 27 ARG C . 25706 1 278 . 1 1 27 27 ARG CA C 13 57.582 0.050 . 1 . . . A 27 ARG CA . 25706 1 279 . 1 1 27 27 ARG CB C 13 31.374 0.022 . 1 . . . A 27 ARG CB . 25706 1 280 . 1 1 27 27 ARG CG C 13 27.074 0.022 . 1 . . . A 27 ARG CG . 25706 1 281 . 1 1 27 27 ARG CD C 13 43.227 0.026 . 1 . . . A 27 ARG CD . 25706 1 282 . 1 1 27 27 ARG N N 15 117.078 0.015 . 1 . . . A 27 ARG N . 25706 1 283 . 1 1 28 28 LEU H H 1 7.101 0.001 . 1 . . . A 28 LEU H . 25706 1 284 . 1 1 28 28 LEU HA H 1 4.626 0.009 . 1 . . . A 28 LEU HA . 25706 1 285 . 1 1 28 28 LEU HB2 H 1 1.437 0.002 . 2 . . . A 28 LEU HB2 . 25706 1 286 . 1 1 28 28 LEU HB3 H 1 1.250 0.005 . 2 . . . A 28 LEU HB3 . 25706 1 287 . 1 1 28 28 LEU HG H 1 1.548 0.005 . 1 . . . A 28 LEU HG . 25706 1 288 . 1 1 28 28 LEU HD11 H 1 0.809 0.002 . 2 . . . A 28 LEU HD11 . 25706 1 289 . 1 1 28 28 LEU HD12 H 1 0.809 0.002 . 2 . . . A 28 LEU HD12 . 25706 1 290 . 1 1 28 28 LEU HD13 H 1 0.809 0.002 . 2 . . . A 28 LEU HD13 . 25706 1 291 . 1 1 28 28 LEU HD21 H 1 0.791 0.000 . 2 . . . A 28 LEU HD21 . 25706 1 292 . 1 1 28 28 LEU HD22 H 1 0.791 0.000 . 2 . . . A 28 LEU HD22 . 25706 1 293 . 1 1 28 28 LEU HD23 H 1 0.791 0.000 . 2 . . . A 28 LEU HD23 . 25706 1 294 . 1 1 28 28 LEU C C 13 175.563 0.000 . 1 . . . A 28 LEU C . 25706 1 295 . 1 1 28 28 LEU CA C 13 53.403 0.060 . 1 . . . A 28 LEU CA . 25706 1 296 . 1 1 28 28 LEU CB C 13 46.720 0.039 . 1 . . . A 28 LEU CB . 25706 1 297 . 1 1 28 28 LEU CG C 13 26.893 0.034 . 1 . . . A 28 LEU CG . 25706 1 298 . 1 1 28 28 LEU CD1 C 13 25.173 0.086 . 2 . . . A 28 LEU CD1 . 25706 1 299 . 1 1 28 28 LEU CD2 C 13 25.331 0.042 . 2 . . . A 28 LEU CD2 . 25706 1 300 . 1 1 28 28 LEU N N 15 119.538 0.014 . 1 . . . A 28 LEU N . 25706 1 301 . 1 1 29 29 SER H H 1 8.885 0.001 . 1 . . . A 29 SER H . 25706 1 302 . 1 1 29 29 SER HA H 1 4.512 0.002 . 1 . . . A 29 SER HA . 25706 1 303 . 1 1 29 29 SER HB2 H 1 4.422 0.003 . 2 . . . A 29 SER HB2 . 25706 1 304 . 1 1 29 29 SER HB3 H 1 3.994 0.002 . 2 . . . A 29 SER HB3 . 25706 1 305 . 1 1 29 29 SER C C 13 174.769 0.000 . 1 . . . A 29 SER C . 25706 1 306 . 1 1 29 29 SER CA C 13 56.883 0.092 . 1 . . . A 29 SER CA . 25706 1 307 . 1 1 29 29 SER CB C 13 65.067 0.055 . 1 . . . A 29 SER CB . 25706 1 308 . 1 1 29 29 SER N N 15 119.714 0.008 . 1 . . . A 29 SER N . 25706 1 309 . 1 1 30 30 ILE H H 1 8.953 0.001 . 1 . . . A 30 ILE H . 25706 1 310 . 1 1 30 30 ILE HA H 1 3.564 0.001 . 1 . . . A 30 ILE HA . 25706 1 311 . 1 1 30 30 ILE HB H 1 1.908 0.001 . 1 . . . A 30 ILE HB . 25706 1 312 . 1 1 30 30 ILE HG12 H 1 1.828 0.002 . 2 . . . A 30 ILE HG12 . 25706 1 313 . 1 1 30 30 ILE HG13 H 1 1.155 0.002 . 2 . . . A 30 ILE HG13 . 25706 1 314 . 1 1 30 30 ILE HG21 H 1 0.886 0.003 . 1 . . . A 30 ILE HG21 . 25706 1 315 . 1 1 30 30 ILE HG22 H 1 0.886 0.003 . 1 . . . A 30 ILE HG22 . 25706 1 316 . 1 1 30 30 ILE HG23 H 1 0.886 0.003 . 1 . . . A 30 ILE HG23 . 25706 1 317 . 1 1 30 30 ILE HD11 H 1 0.899 0.004 . 1 . . . A 30 ILE HD11 . 25706 1 318 . 1 1 30 30 ILE HD12 H 1 0.899 0.004 . 1 . . . A 30 ILE HD12 . 25706 1 319 . 1 1 30 30 ILE HD13 H 1 0.899 0.004 . 1 . . . A 30 ILE HD13 . 25706 1 320 . 1 1 30 30 ILE C C 13 177.419 0.000 . 1 . . . A 30 ILE C . 25706 1 321 . 1 1 30 30 ILE CA C 13 65.706 0.023 . 1 . . . A 30 ILE CA . 25706 1 322 . 1 1 30 30 ILE CB C 13 37.132 0.035 . 1 . . . A 30 ILE CB . 25706 1 323 . 1 1 30 30 ILE CG1 C 13 29.681 0.026 . 1 . . . A 30 ILE CG1 . 25706 1 324 . 1 1 30 30 ILE CG2 C 13 17.904 0.049 . 1 . . . A 30 ILE CG2 . 25706 1 325 . 1 1 30 30 ILE CD1 C 13 12.927 0.076 . 1 . . . A 30 ILE CD1 . 25706 1 326 . 1 1 30 30 ILE N N 15 121.990 0.008 . 1 . . . A 30 ILE N . 25706 1 327 . 1 1 31 31 GLU H H 1 8.669 0.001 . 1 . . . A 31 GLU H . 25706 1 328 . 1 1 31 31 GLU HA H 1 3.863 0.001 . 1 . . . A 31 GLU HA . 25706 1 329 . 1 1 31 31 GLU HB2 H 1 2.023 0.003 . 2 . . . A 31 GLU HB2 . 25706 1 330 . 1 1 31 31 GLU HB3 H 1 1.930 0.001 . 2 . . . A 31 GLU HB3 . 25706 1 331 . 1 1 31 31 GLU HG2 H 1 2.364 0.002 . 2 . . . A 31 GLU HG2 . 25706 1 332 . 1 1 31 31 GLU HG3 H 1 2.261 0.004 . 2 . . . A 31 GLU HG3 . 25706 1 333 . 1 1 31 31 GLU C C 13 179.559 0.000 . 1 . . . A 31 GLU C . 25706 1 334 . 1 1 31 31 GLU CA C 13 60.514 0.041 . 1 . . . A 31 GLU CA . 25706 1 335 . 1 1 31 31 GLU CB C 13 29.046 0.020 . 1 . . . A 31 GLU CB . 25706 1 336 . 1 1 31 31 GLU CG C 13 36.956 0.046 . 1 . . . A 31 GLU CG . 25706 1 337 . 1 1 31 31 GLU N N 15 117.222 0.014 . 1 . . . A 31 GLU N . 25706 1 338 . 1 1 32 32 GLN H H 1 7.949 0.001 . 1 . . . A 32 GLN H . 25706 1 339 . 1 1 32 32 GLN HA H 1 4.045 0.001 . 1 . . . A 32 GLN HA . 25706 1 340 . 1 1 32 32 GLN HB2 H 1 2.245 0.002 . 2 . . . A 32 GLN HB2 . 25706 1 341 . 1 1 32 32 GLN HB3 H 1 1.925 0.001 . 2 . . . A 32 GLN HB3 . 25706 1 342 . 1 1 32 32 GLN HG2 H 1 2.391 0.000 . 1 . . . A 32 GLN HG2 . 25706 1 343 . 1 1 32 32 GLN HG3 H 1 2.391 0.000 . 1 . . . A 32 GLN HG3 . 25706 1 344 . 1 1 32 32 GLN HE21 H 1 7.490 0.000 . 1 . . . A 32 GLN HE21 . 25706 1 345 . 1 1 32 32 GLN HE22 H 1 6.875 0.000 . 1 . . . A 32 GLN HE22 . 25706 1 346 . 1 1 32 32 GLN C C 13 179.113 0.000 . 1 . . . A 32 GLN C . 25706 1 347 . 1 1 32 32 GLN CA C 13 58.501 0.013 . 1 . . . A 32 GLN CA . 25706 1 348 . 1 1 32 32 GLN CB C 13 29.286 0.035 . 1 . . . A 32 GLN CB . 25706 1 349 . 1 1 32 32 GLN CG C 13 34.615 0.023 . 1 . . . A 32 GLN CG . 25706 1 350 . 1 1 32 32 GLN N N 15 118.595 0.005 . 1 . . . A 32 GLN N . 25706 1 351 . 1 1 32 32 GLN NE2 N 15 111.707 0.026 . 1 . . . A 32 GLN NE2 . 25706 1 352 . 1 1 33 33 ALA H H 1 8.520 0.001 . 1 . . . A 33 ALA H . 25706 1 353 . 1 1 33 33 ALA HA H 1 3.913 0.000 . 1 . . . A 33 ALA HA . 25706 1 354 . 1 1 33 33 ALA HB1 H 1 1.333 0.002 . 1 . . . A 33 ALA HB1 . 25706 1 355 . 1 1 33 33 ALA HB2 H 1 1.333 0.002 . 1 . . . A 33 ALA HB2 . 25706 1 356 . 1 1 33 33 ALA HB3 H 1 1.333 0.002 . 1 . . . A 33 ALA HB3 . 25706 1 357 . 1 1 33 33 ALA C C 13 178.918 0.000 . 1 . . . A 33 ALA C . 25706 1 358 . 1 1 33 33 ALA CA C 13 55.538 0.103 . 1 . . . A 33 ALA CA . 25706 1 359 . 1 1 33 33 ALA CB C 13 19.146 0.051 . 1 . . . A 33 ALA CB . 25706 1 360 . 1 1 33 33 ALA N N 15 123.062 0.032 . 1 . . . A 33 ALA N . 25706 1 361 . 1 1 34 34 VAL H H 1 8.469 0.001 . 1 . . . A 34 VAL H . 25706 1 362 . 1 1 34 34 VAL HA H 1 3.383 0.001 . 1 . . . A 34 VAL HA . 25706 1 363 . 1 1 34 34 VAL HB H 1 2.197 0.002 . 1 . . . A 34 VAL HB . 25706 1 364 . 1 1 34 34 VAL HG11 H 1 0.958 0.001 . 2 . . . A 34 VAL HG11 . 25706 1 365 . 1 1 34 34 VAL HG12 H 1 0.958 0.001 . 2 . . . A 34 VAL HG12 . 25706 1 366 . 1 1 34 34 VAL HG13 H 1 0.958 0.001 . 2 . . . A 34 VAL HG13 . 25706 1 367 . 1 1 34 34 VAL HG21 H 1 0.925 0.001 . 2 . . . A 34 VAL HG21 . 25706 1 368 . 1 1 34 34 VAL HG22 H 1 0.925 0.001 . 2 . . . A 34 VAL HG22 . 25706 1 369 . 1 1 34 34 VAL HG23 H 1 0.925 0.001 . 2 . . . A 34 VAL HG23 . 25706 1 370 . 1 1 34 34 VAL C C 13 179.013 0.000 . 1 . . . A 34 VAL C . 25706 1 371 . 1 1 34 34 VAL CA C 13 67.031 0.035 . 1 . . . A 34 VAL CA . 25706 1 372 . 1 1 34 34 VAL CB C 13 31.575 0.036 . 1 . . . A 34 VAL CB . 25706 1 373 . 1 1 34 34 VAL CG1 C 13 23.347 0.001 . 2 . . . A 34 VAL CG1 . 25706 1 374 . 1 1 34 34 VAL CG2 C 13 21.749 0.062 . 2 . . . A 34 VAL CG2 . 25706 1 375 . 1 1 34 34 VAL N N 15 115.551 0.009 . 1 . . . A 34 VAL N . 25706 1 376 . 1 1 35 35 THR H H 1 7.598 0.000 . 1 . . . A 35 THR H . 25706 1 377 . 1 1 35 35 THR HA H 1 4.012 0.001 . 1 . . . A 35 THR HA . 25706 1 378 . 1 1 35 35 THR HB H 1 4.300 0.000 . 1 . . . A 35 THR HB . 25706 1 379 . 1 1 35 35 THR HG21 H 1 1.297 0.001 . 1 . . . A 35 THR HG21 . 25706 1 380 . 1 1 35 35 THR HG22 H 1 1.297 0.001 . 1 . . . A 35 THR HG22 . 25706 1 381 . 1 1 35 35 THR HG23 H 1 1.297 0.001 . 1 . . . A 35 THR HG23 . 25706 1 382 . 1 1 35 35 THR C C 13 176.151 0.000 . 1 . . . A 35 THR C . 25706 1 383 . 1 1 35 35 THR CA C 13 65.944 0.038 . 1 . . . A 35 THR CA . 25706 1 384 . 1 1 35 35 THR CB C 13 68.902 0.064 . 1 . . . A 35 THR CB . 25706 1 385 . 1 1 35 35 THR CG2 C 13 21.840 0.022 . 1 . . . A 35 THR CG2 . 25706 1 386 . 1 1 35 35 THR N N 15 114.806 0.011 . 1 . . . A 35 THR N . 25706 1 387 . 1 1 36 36 LEU H H 1 7.516 0.001 . 1 . . . A 36 LEU H . 25706 1 388 . 1 1 36 36 LEU HA H 1 4.183 0.002 . 1 . . . A 36 LEU HA . 25706 1 389 . 1 1 36 36 LEU HB2 H 1 1.910 0.002 . 2 . . . A 36 LEU HB2 . 25706 1 390 . 1 1 36 36 LEU HB3 H 1 1.470 0.003 . 2 . . . A 36 LEU HB3 . 25706 1 391 . 1 1 36 36 LEU HG H 1 1.765 0.004 . 1 . . . A 36 LEU HG . 25706 1 392 . 1 1 36 36 LEU HD11 H 1 0.831 0.002 . 2 . . . A 36 LEU HD11 . 25706 1 393 . 1 1 36 36 LEU HD12 H 1 0.831 0.002 . 2 . . . A 36 LEU HD12 . 25706 1 394 . 1 1 36 36 LEU HD13 H 1 0.831 0.002 . 2 . . . A 36 LEU HD13 . 25706 1 395 . 1 1 36 36 LEU HD21 H 1 0.822 0.001 . 2 . . . A 36 LEU HD21 . 25706 1 396 . 1 1 36 36 LEU HD22 H 1 0.822 0.001 . 2 . . . A 36 LEU HD22 . 25706 1 397 . 1 1 36 36 LEU HD23 H 1 0.822 0.001 . 2 . . . A 36 LEU HD23 . 25706 1 398 . 1 1 36 36 LEU C C 13 177.940 0.000 . 1 . . . A 36 LEU C . 25706 1 399 . 1 1 36 36 LEU CA C 13 56.610 0.026 . 1 . . . A 36 LEU CA . 25706 1 400 . 1 1 36 36 LEU CB C 13 42.277 0.021 . 1 . . . A 36 LEU CB . 25706 1 401 . 1 1 36 36 LEU CG C 13 26.938 0.044 . 1 . . . A 36 LEU CG . 25706 1 402 . 1 1 36 36 LEU CD1 C 13 25.899 0.008 . 2 . . . A 36 LEU CD1 . 25706 1 403 . 1 1 36 36 LEU CD2 C 13 22.863 0.031 . 2 . . . A 36 LEU CD2 . 25706 1 404 . 1 1 36 36 LEU N N 15 120.922 0.005 . 1 . . . A 36 LEU N . 25706 1 405 . 1 1 37 37 LEU H H 1 7.444 0.001 . 1 . . . A 37 LEU H . 25706 1 406 . 1 1 37 37 LEU HA H 1 4.337 0.002 . 1 . . . A 37 LEU HA . 25706 1 407 . 1 1 37 37 LEU HB2 H 1 1.724 0.004 . 2 . . . A 37 LEU HB2 . 25706 1 408 . 1 1 37 37 LEU HB3 H 1 1.556 0.002 . 2 . . . A 37 LEU HB3 . 25706 1 409 . 1 1 37 37 LEU HG H 1 1.749 0.004 . 1 . . . A 37 LEU HG . 25706 1 410 . 1 1 37 37 LEU HD11 H 1 0.784 0.001 . 2 . . . A 37 LEU HD11 . 25706 1 411 . 1 1 37 37 LEU HD12 H 1 0.784 0.001 . 2 . . . A 37 LEU HD12 . 25706 1 412 . 1 1 37 37 LEU HD13 H 1 0.784 0.001 . 2 . . . A 37 LEU HD13 . 25706 1 413 . 1 1 37 37 LEU HD21 H 1 0.770 0.002 . 2 . . . A 37 LEU HD21 . 25706 1 414 . 1 1 37 37 LEU HD22 H 1 0.770 0.002 . 2 . . . A 37 LEU HD22 . 25706 1 415 . 1 1 37 37 LEU HD23 H 1 0.770 0.002 . 2 . . . A 37 LEU HD23 . 25706 1 416 . 1 1 37 37 LEU C C 13 177.013 0.000 . 1 . . . A 37 LEU C . 25706 1 417 . 1 1 37 37 LEU CA C 13 54.877 0.040 . 1 . . . A 37 LEU CA . 25706 1 418 . 1 1 37 37 LEU CB C 13 43.021 0.024 . 1 . . . A 37 LEU CB . 25706 1 419 . 1 1 37 37 LEU CG C 13 26.282 0.012 . 1 . . . A 37 LEU CG . 25706 1 420 . 1 1 37 37 LEU CD1 C 13 26.840 0.080 . 2 . . . A 37 LEU CD1 . 25706 1 421 . 1 1 37 37 LEU CD2 C 13 23.361 0.080 . 2 . . . A 37 LEU CD2 . 25706 1 422 . 1 1 37 37 LEU N N 15 118.066 0.014 . 1 . . . A 37 LEU N . 25706 1 423 . 1 1 38 38 THR H H 1 7.925 0.001 . 1 . . . A 38 THR H . 25706 1 424 . 1 1 38 38 THR HA H 1 4.469 0.003 . 1 . . . A 38 THR HA . 25706 1 425 . 1 1 38 38 THR HB H 1 4.236 0.001 . 1 . . . A 38 THR HB . 25706 1 426 . 1 1 38 38 THR HG21 H 1 1.262 0.002 . 1 . . . A 38 THR HG21 . 25706 1 427 . 1 1 38 38 THR HG22 H 1 1.262 0.002 . 1 . . . A 38 THR HG22 . 25706 1 428 . 1 1 38 38 THR HG23 H 1 1.262 0.002 . 1 . . . A 38 THR HG23 . 25706 1 429 . 1 1 38 38 THR CA C 13 61.736 0.058 . 1 . . . A 38 THR CA . 25706 1 430 . 1 1 38 38 THR CB C 13 69.544 0.010 . 1 . . . A 38 THR CB . 25706 1 431 . 1 1 38 38 THR CG2 C 13 21.265 0.000 . 1 . . . A 38 THR CG2 . 25706 1 432 . 1 1 38 38 THR N N 15 116.689 0.014 . 1 . . . A 38 THR N . 25706 1 433 . 1 1 39 39 PRO HA H 1 4.473 0.002 . 1 . . . A 39 PRO HA . 25706 1 434 . 1 1 39 39 PRO HD2 H 1 3.610 0.000 . 2 . . . A 39 PRO HD2 . 25706 1 435 . 1 1 39 39 PRO HD3 H 1 3.584 0.000 . 2 . . . A 39 PRO HD3 . 25706 1 436 . 1 1 39 39 PRO C C 13 177.055 0.000 . 1 . . . A 39 PRO C . 25706 1 437 . 1 1 39 39 PRO CA C 13 63.505 0.054 . 1 . . . A 39 PRO CA . 25706 1 438 . 1 1 39 39 PRO CB C 13 32.140 0.000 . 1 . . . A 39 PRO CB . 25706 1 439 . 1 1 39 39 PRO CG C 13 27.163 0.000 . 1 . . . A 39 PRO CG . 25706 1 440 . 1 1 39 39 PRO CD C 13 51.072 0.000 . 1 . . . A 39 PRO CD . 25706 1 441 . 1 1 40 40 ARG H H 1 8.384 0.002 . 1 . . . A 40 ARG H . 25706 1 442 . 1 1 40 40 ARG HA H 1 4.307 0.002 . 1 . . . A 40 ARG HA . 25706 1 443 . 1 1 40 40 ARG HB2 H 1 1.884 0.000 . 2 . . . A 40 ARG HB2 . 25706 1 444 . 1 1 40 40 ARG HB3 H 1 1.793 0.002 . 2 . . . A 40 ARG HB3 . 25706 1 445 . 1 1 40 40 ARG HG2 H 1 1.665 0.003 . 1 . . . A 40 ARG HG2 . 25706 1 446 . 1 1 40 40 ARG HG3 H 1 1.665 0.003 . 1 . . . A 40 ARG HG3 . 25706 1 447 . 1 1 40 40 ARG HD2 H 1 3.211 0.002 . 1 . . . A 40 ARG HD2 . 25706 1 448 . 1 1 40 40 ARG HD3 H 1 3.211 0.002 . 1 . . . A 40 ARG HD3 . 25706 1 449 . 1 1 40 40 ARG C C 13 176.527 0.000 . 1 . . . A 40 ARG C . 25706 1 450 . 1 1 40 40 ARG CA C 13 56.307 0.018 . 1 . . . A 40 ARG CA . 25706 1 451 . 1 1 40 40 ARG CB C 13 30.797 0.036 . 1 . . . A 40 ARG CB . 25706 1 452 . 1 1 40 40 ARG CG C 13 27.237 0.035 . 1 . . . A 40 ARG CG . 25706 1 453 . 1 1 40 40 ARG CD C 13 43.414 0.007 . 1 . . . A 40 ARG CD . 25706 1 454 . 1 1 40 40 ARG N N 15 120.701 0.024 . 1 . . . A 40 ARG N . 25706 1 455 . 1 1 41 41 ARG H H 1 8.367 0.002 . 1 . . . A 41 ARG H . 25706 1 456 . 1 1 41 41 ARG HA H 1 4.381 0.001 . 1 . . . A 41 ARG HA . 25706 1 457 . 1 1 41 41 ARG HB2 H 1 1.884 0.003 . 2 . . . A 41 ARG HB2 . 25706 1 458 . 1 1 41 41 ARG HB3 H 1 1.792 0.002 . 2 . . . A 41 ARG HB3 . 25706 1 459 . 1 1 41 41 ARG HG2 H 1 1.671 0.002 . 2 . . . A 41 ARG HG2 . 25706 1 460 . 1 1 41 41 ARG HG3 H 1 1.626 0.000 . 2 . . . A 41 ARG HG3 . 25706 1 461 . 1 1 41 41 ARG HD2 H 1 3.202 0.003 . 1 . . . A 41 ARG HD2 . 25706 1 462 . 1 1 41 41 ARG HD3 H 1 3.202 0.003 . 1 . . . A 41 ARG HD3 . 25706 1 463 . 1 1 41 41 ARG C C 13 176.791 0.000 . 1 . . . A 41 ARG C . 25706 1 464 . 1 1 41 41 ARG CA C 13 56.227 0.028 . 1 . . . A 41 ARG CA . 25706 1 465 . 1 1 41 41 ARG CB C 13 30.869 0.041 . 1 . . . A 41 ARG CB . 25706 1 466 . 1 1 41 41 ARG CG C 13 27.223 0.026 . 1 . . . A 41 ARG CG . 25706 1 467 . 1 1 41 41 ARG CD C 13 43.418 0.009 . 1 . . . A 41 ARG CD . 25706 1 468 . 1 1 41 41 ARG N N 15 121.467 0.015 . 1 . . . A 41 ARG N . 25706 1 469 . 1 1 42 42 GLY H H 1 8.538 0.001 . 1 . . . A 42 GLY H . 25706 1 470 . 1 1 42 42 GLY HA2 H 1 3.994 0.000 . 1 . . . A 42 GLY HA2 . 25706 1 471 . 1 1 42 42 GLY HA3 H 1 3.994 0.000 . 1 . . . A 42 GLY HA3 . 25706 1 472 . 1 1 42 42 GLY CA C 13 45.347 0.012 . 1 . . . A 42 GLY CA . 25706 1 473 . 1 1 42 42 GLY N N 15 110.418 0.008 . 1 . . . A 42 GLY N . 25706 1 474 . 1 1 44 44 GLY C C 13 174.487 0.000 . 1 . . . A 44 GLY C . 25706 1 475 . 1 1 45 45 SER H H 1 8.422 0.001 . 1 . . . A 45 SER H . 25706 1 476 . 1 1 45 45 SER HA H 1 4.515 0.000 . 1 . . . A 45 SER HA . 25706 1 477 . 1 1 45 45 SER HB2 H 1 3.930 0.004 . 2 . . . A 45 SER HB2 . 25706 1 478 . 1 1 45 45 SER HB3 H 1 3.888 0.002 . 2 . . . A 45 SER HB3 . 25706 1 479 . 1 1 45 45 SER C C 13 175.337 0.000 . 1 . . . A 45 SER C . 25706 1 480 . 1 1 45 45 SER CA C 13 58.590 0.015 . 1 . . . A 45 SER CA . 25706 1 481 . 1 1 45 45 SER CB C 13 63.920 0.056 . 1 . . . A 45 SER CB . 25706 1 482 . 1 1 45 45 SER N N 15 115.788 0.011 . 1 . . . A 45 SER N . 25706 1 483 . 1 1 46 46 GLY H H 1 8.600 0.001 . 1 . . . A 46 GLY H . 25706 1 484 . 1 1 46 46 GLY HA2 H 1 4.016 0.000 . 1 . . . A 46 GLY HA2 . 25706 1 485 . 1 1 46 46 GLY HA3 H 1 4.016 0.000 . 1 . . . A 46 GLY HA3 . 25706 1 486 . 1 1 46 46 GLY C C 13 174.837 0.000 . 1 . . . A 46 GLY C . 25706 1 487 . 1 1 46 46 GLY CA C 13 45.497 0.012 . 1 . . . A 46 GLY CA . 25706 1 488 . 1 1 46 46 GLY N N 15 111.003 0.020 . 1 . . . A 46 GLY N . 25706 1 489 . 1 1 47 47 GLY H H 1 8.398 0.001 . 1 . . . A 47 GLY H . 25706 1 490 . 1 1 47 47 GLY C C 13 174.864 0.000 . 1 . . . A 47 GLY C . 25706 1 491 . 1 1 47 47 GLY N N 15 108.933 0.023 . 1 . . . A 47 GLY N . 25706 1 492 . 1 1 48 48 GLY H H 1 8.418 0.000 . 1 . . . A 48 GLY H . 25706 1 493 . 1 1 48 48 GLY C C 13 174.496 0.000 . 1 . . . A 48 GLY C . 25706 1 494 . 1 1 48 48 GLY N N 15 108.905 0.000 . 1 . . . A 48 GLY N . 25706 1 495 . 1 1 49 49 SER H H 1 8.292 0.001 . 1 . . . A 49 SER H . 25706 1 496 . 1 1 49 49 SER HA H 1 4.439 0.001 . 1 . . . A 49 SER HA . 25706 1 497 . 1 1 49 49 SER HB2 H 1 3.876 0.004 . 2 . . . A 49 SER HB2 . 25706 1 498 . 1 1 49 49 SER HB3 H 1 3.801 0.003 . 2 . . . A 49 SER HB3 . 25706 1 499 . 1 1 49 49 SER C C 13 174.539 0.000 . 1 . . . A 49 SER C . 25706 1 500 . 1 1 49 49 SER CA C 13 58.826 0.047 . 1 . . . A 49 SER CA . 25706 1 501 . 1 1 49 49 SER CB C 13 64.100 0.123 . 1 . . . A 49 SER CB . 25706 1 502 . 1 1 49 49 SER N N 15 115.575 0.006 . 1 . . . A 49 SER N . 25706 1 503 . 1 1 50 50 MET H H 1 8.310 0.002 . 1 . . . A 50 MET H . 25706 1 504 . 1 1 50 50 MET HA H 1 4.445 0.001 . 1 . . . A 50 MET HA . 25706 1 505 . 1 1 50 50 MET HB2 H 1 2.003 0.001 . 1 . . . A 50 MET HB2 . 25706 1 506 . 1 1 50 50 MET HB3 H 1 2.003 0.001 . 1 . . . A 50 MET HB3 . 25706 1 507 . 1 1 50 50 MET HG2 H 1 2.560 0.001 . 2 . . . A 50 MET HG2 . 25706 1 508 . 1 1 50 50 MET HG3 H 1 2.503 0.002 . 2 . . . A 50 MET HG3 . 25706 1 509 . 1 1 50 50 MET HE1 H 1 2.049 0.000 . 1 . . . A 50 MET HE1 . 25706 1 510 . 1 1 50 50 MET HE2 H 1 2.049 0.000 . 1 . . . A 50 MET HE2 . 25706 1 511 . 1 1 50 50 MET HE3 H 1 2.049 0.000 . 1 . . . A 50 MET HE3 . 25706 1 512 . 1 1 50 50 MET C C 13 175.456 0.000 . 1 . . . A 50 MET C . 25706 1 513 . 1 1 50 50 MET CA C 13 55.951 0.060 . 1 . . . A 50 MET CA . 25706 1 514 . 1 1 50 50 MET CB C 13 33.967 0.039 . 1 . . . A 50 MET CB . 25706 1 515 . 1 1 50 50 MET CG C 13 32.146 0.037 . 1 . . . A 50 MET CG . 25706 1 516 . 1 1 50 50 MET CE C 13 17.064 0.000 . 1 . . . A 50 MET CE . 25706 1 517 . 1 1 50 50 MET N N 15 121.907 0.008 . 1 . . . A 50 MET N . 25706 1 518 . 1 1 51 51 ASP H H 1 8.506 0.003 . 1 . . . A 51 ASP H . 25706 1 519 . 1 1 51 51 ASP HA H 1 4.641 0.000 . 1 . . . A 51 ASP HA . 25706 1 520 . 1 1 51 51 ASP HB2 H 1 2.811 0.001 . 1 . . . A 51 ASP HB2 . 25706 1 521 . 1 1 51 51 ASP HB3 H 1 2.811 0.001 . 1 . . . A 51 ASP HB3 . 25706 1 522 . 1 1 51 51 ASP C C 13 176.239 0.000 . 1 . . . A 51 ASP C . 25706 1 523 . 1 1 51 51 ASP CA C 13 53.511 0.001 . 1 . . . A 51 ASP CA . 25706 1 524 . 1 1 51 51 ASP CB C 13 41.513 0.034 . 1 . . . A 51 ASP CB . 25706 1 525 . 1 1 51 51 ASP N N 15 122.904 0.028 . 1 . . . A 51 ASP N . 25706 1 526 . 1 1 52 52 ALA H H 1 8.506 0.003 . 1 . . . A 52 ALA H . 25706 1 527 . 1 1 52 52 ALA HA H 1 3.846 0.016 . 1 . . . A 52 ALA HA . 25706 1 528 . 1 1 52 52 ALA HB1 H 1 1.356 0.001 . 1 . . . A 52 ALA HB1 . 25706 1 529 . 1 1 52 52 ALA HB2 H 1 1.356 0.001 . 1 . . . A 52 ALA HB2 . 25706 1 530 . 1 1 52 52 ALA HB3 H 1 1.356 0.001 . 1 . . . A 52 ALA HB3 . 25706 1 531 . 1 1 52 52 ALA C C 13 178.517 0.000 . 1 . . . A 52 ALA C . 25706 1 532 . 1 1 52 52 ALA CA C 13 55.598 0.065 . 1 . . . A 52 ALA CA . 25706 1 533 . 1 1 52 52 ALA CB C 13 18.617 0.088 . 1 . . . A 52 ALA CB . 25706 1 534 . 1 1 52 52 ALA N N 15 123.354 0.255 . 1 . . . A 52 ALA N . 25706 1 535 . 1 1 53 53 LYS H H 1 8.407 0.001 . 1 . . . A 53 LYS H . 25706 1 536 . 1 1 53 53 LYS HA H 1 3.598 0.002 . 1 . . . A 53 LYS HA . 25706 1 537 . 1 1 53 53 LYS HB2 H 1 1.987 0.004 . 2 . . . A 53 LYS HB2 . 25706 1 538 . 1 1 53 53 LYS HB3 H 1 1.837 0.002 . 2 . . . A 53 LYS HB3 . 25706 1 539 . 1 1 53 53 LYS HG2 H 1 1.285 0.001 . 1 . . . A 53 LYS HG2 . 25706 1 540 . 1 1 53 53 LYS HG3 H 1 1.285 0.001 . 1 . . . A 53 LYS HG3 . 25706 1 541 . 1 1 53 53 LYS HD2 H 1 1.700 0.001 . 1 . . . A 53 LYS HD2 . 25706 1 542 . 1 1 53 53 LYS HD3 H 1 1.700 0.001 . 1 . . . A 53 LYS HD3 . 25706 1 543 . 1 1 53 53 LYS HE2 H 1 2.931 0.002 . 1 . . . A 53 LYS HE2 . 25706 1 544 . 1 1 53 53 LYS HE3 H 1 2.931 0.002 . 1 . . . A 53 LYS HE3 . 25706 1 545 . 1 1 53 53 LYS C C 13 179.171 0.000 . 1 . . . A 53 LYS C . 25706 1 546 . 1 1 53 53 LYS CA C 13 60.402 0.146 . 1 . . . A 53 LYS CA . 25706 1 547 . 1 1 53 53 LYS CB C 13 32.058 0.037 . 1 . . . A 53 LYS CB . 25706 1 548 . 1 1 53 53 LYS CG C 13 25.188 0.031 . 1 . . . A 53 LYS CG . 25706 1 549 . 1 1 53 53 LYS CD C 13 29.595 0.019 . 1 . . . A 53 LYS CD . 25706 1 550 . 1 1 53 53 LYS CE C 13 42.037 0.040 . 1 . . . A 53 LYS CE . 25706 1 551 . 1 1 53 53 LYS N N 15 117.034 0.010 . 1 . . . A 53 LYS N . 25706 1 552 . 1 1 54 54 GLU H H 1 8.005 0.001 . 1 . . . A 54 GLU H . 25706 1 553 . 1 1 54 54 GLU HA H 1 4.073 0.001 . 1 . . . A 54 GLU HA . 25706 1 554 . 1 1 54 54 GLU HB2 H 1 2.181 0.003 . 2 . . . A 54 GLU HB2 . 25706 1 555 . 1 1 54 54 GLU HB3 H 1 2.109 0.002 . 2 . . . A 54 GLU HB3 . 25706 1 556 . 1 1 54 54 GLU HG2 H 1 2.334 0.001 . 1 . . . A 54 GLU HG2 . 25706 1 557 . 1 1 54 54 GLU HG3 H 1 2.334 0.001 . 1 . . . A 54 GLU HG3 . 25706 1 558 . 1 1 54 54 GLU C C 13 178.526 0.000 . 1 . . . A 54 GLU C . 25706 1 559 . 1 1 54 54 GLU CA C 13 59.744 0.046 . 1 . . . A 54 GLU CA . 25706 1 560 . 1 1 54 54 GLU CB C 13 29.338 0.046 . 1 . . . A 54 GLU CB . 25706 1 561 . 1 1 54 54 GLU CG C 13 36.073 0.019 . 1 . . . A 54 GLU CG . 25706 1 562 . 1 1 54 54 GLU N N 15 123.212 0.008 . 1 . . . A 54 GLU N . 25706 1 563 . 1 1 55 55 ILE H H 1 8.088 0.002 . 1 . . . A 55 ILE H . 25706 1 564 . 1 1 55 55 ILE HA H 1 3.429 0.001 . 1 . . . A 55 ILE HA . 25706 1 565 . 1 1 55 55 ILE HB H 1 1.716 0.001 . 1 . . . A 55 ILE HB . 25706 1 566 . 1 1 55 55 ILE HG12 H 1 0.920 0.008 . 2 . . . A 55 ILE HG12 . 25706 1 567 . 1 1 55 55 ILE HG13 H 1 1.756 0.000 . 2 . . . A 55 ILE HG13 . 25706 1 568 . 1 1 55 55 ILE HG21 H 1 0.778 0.001 . 1 . . . A 55 ILE HG21 . 25706 1 569 . 1 1 55 55 ILE HG22 H 1 0.778 0.001 . 1 . . . A 55 ILE HG22 . 25706 1 570 . 1 1 55 55 ILE HG23 H 1 0.778 0.001 . 1 . . . A 55 ILE HG23 . 25706 1 571 . 1 1 55 55 ILE HD11 H 1 0.686 0.001 . 1 . . . A 55 ILE HD11 . 25706 1 572 . 1 1 55 55 ILE HD12 H 1 0.686 0.001 . 1 . . . A 55 ILE HD12 . 25706 1 573 . 1 1 55 55 ILE HD13 H 1 0.686 0.001 . 1 . . . A 55 ILE HD13 . 25706 1 574 . 1 1 55 55 ILE C C 13 177.999 0.000 . 1 . . . A 55 ILE C . 25706 1 575 . 1 1 55 55 ILE CA C 13 65.612 0.022 . 1 . . . A 55 ILE CA . 25706 1 576 . 1 1 55 55 ILE CB C 13 38.711 0.016 . 1 . . . A 55 ILE CB . 25706 1 577 . 1 1 55 55 ILE CG1 C 13 29.139 0.001 . 1 . . . A 55 ILE CG1 . 25706 1 578 . 1 1 55 55 ILE CG2 C 13 17.415 0.056 . 1 . . . A 55 ILE CG2 . 25706 1 579 . 1 1 55 55 ILE CD1 C 13 14.788 0.036 . 1 . . . A 55 ILE CD1 . 25706 1 580 . 1 1 55 55 ILE N N 15 119.567 0.016 . 1 . . . A 55 ILE N . 25706 1 581 . 1 1 56 56 LEU H H 1 8.477 0.001 . 1 . . . A 56 LEU H . 25706 1 582 . 1 1 56 56 LEU HA H 1 4.004 0.001 . 1 . . . A 56 LEU HA . 25706 1 583 . 1 1 56 56 LEU HB2 H 1 2.035 0.001 . 2 . . . A 56 LEU HB2 . 25706 1 584 . 1 1 56 56 LEU HB3 H 1 1.316 0.004 . 2 . . . A 56 LEU HB3 . 25706 1 585 . 1 1 56 56 LEU HG H 1 1.825 0.001 . 1 . . . A 56 LEU HG . 25706 1 586 . 1 1 56 56 LEU HD11 H 1 0.803 0.003 . 2 . . . A 56 LEU HD11 . 25706 1 587 . 1 1 56 56 LEU HD12 H 1 0.803 0.003 . 2 . . . A 56 LEU HD12 . 25706 1 588 . 1 1 56 56 LEU HD13 H 1 0.803 0.003 . 2 . . . A 56 LEU HD13 . 25706 1 589 . 1 1 56 56 LEU HD21 H 1 0.698 0.001 . 2 . . . A 56 LEU HD21 . 25706 1 590 . 1 1 56 56 LEU HD22 H 1 0.698 0.001 . 2 . . . A 56 LEU HD22 . 25706 1 591 . 1 1 56 56 LEU HD23 H 1 0.698 0.001 . 2 . . . A 56 LEU HD23 . 25706 1 592 . 1 1 56 56 LEU C C 13 178.636 0.000 . 1 . . . A 56 LEU C . 25706 1 593 . 1 1 56 56 LEU CA C 13 58.064 0.081 . 1 . . . A 56 LEU CA . 25706 1 594 . 1 1 56 56 LEU CB C 13 42.944 0.023 . 1 . . . A 56 LEU CB . 25706 1 595 . 1 1 56 56 LEU CG C 13 27.204 0.061 . 1 . . . A 56 LEU CG . 25706 1 596 . 1 1 56 56 LEU CD1 C 13 27.062 0.013 . 2 . . . A 56 LEU CD1 . 25706 1 597 . 1 1 56 56 LEU CD2 C 13 23.534 0.068 . 2 . . . A 56 LEU CD2 . 25706 1 598 . 1 1 56 56 LEU N N 15 116.646 0.063 . 1 . . . A 56 LEU N . 25706 1 599 . 1 1 57 57 THR H H 1 8.260 0.000 . 1 . . . A 57 THR H . 25706 1 600 . 1 1 57 57 THR HA H 1 3.833 0.001 . 1 . . . A 57 THR HA . 25706 1 601 . 1 1 57 57 THR HB H 1 4.358 0.001 . 1 . . . A 57 THR HB . 25706 1 602 . 1 1 57 57 THR HG21 H 1 1.242 0.001 . 1 . . . A 57 THR HG21 . 25706 1 603 . 1 1 57 57 THR HG22 H 1 1.242 0.001 . 1 . . . A 57 THR HG22 . 25706 1 604 . 1 1 57 57 THR HG23 H 1 1.242 0.001 . 1 . . . A 57 THR HG23 . 25706 1 605 . 1 1 57 57 THR C C 13 175.836 0.000 . 1 . . . A 57 THR C . 25706 1 606 . 1 1 57 57 THR CA C 13 67.615 0.029 . 1 . . . A 57 THR CA . 25706 1 607 . 1 1 57 57 THR CB C 13 68.860 0.099 . 1 . . . A 57 THR CB . 25706 1 608 . 1 1 57 57 THR CG2 C 13 20.933 0.011 . 1 . . . A 57 THR CG2 . 25706 1 609 . 1 1 57 57 THR N N 15 117.148 0.027 . 1 . . . A 57 THR N . 25706 1 610 . 1 1 58 58 ARG H H 1 8.202 0.001 . 1 . . . A 58 ARG H . 25706 1 611 . 1 1 58 58 ARG HA H 1 4.248 0.001 . 1 . . . A 58 ARG HA . 25706 1 612 . 1 1 58 58 ARG HB2 H 1 1.898 0.001 . 2 . . . A 58 ARG HB2 . 25706 1 613 . 1 1 58 58 ARG HB3 H 1 1.692 0.003 . 2 . . . A 58 ARG HB3 . 25706 1 614 . 1 1 58 58 ARG HG2 H 1 1.988 0.002 . 1 . . . A 58 ARG HG2 . 25706 1 615 . 1 1 58 58 ARG HG3 H 1 1.988 0.002 . 1 . . . A 58 ARG HG3 . 25706 1 616 . 1 1 58 58 ARG HD2 H 1 3.118 0.001 . 1 . . . A 58 ARG HD2 . 25706 1 617 . 1 1 58 58 ARG HD3 H 1 3.118 0.001 . 1 . . . A 58 ARG HD3 . 25706 1 618 . 1 1 58 58 ARG HE H 1 7.789 0.000 . 1 . . . A 58 ARG HE . 25706 1 619 . 1 1 58 58 ARG C C 13 179.476 0.000 . 1 . . . A 58 ARG C . 25706 1 620 . 1 1 58 58 ARG CA C 13 59.275 0.053 . 1 . . . A 58 ARG CA . 25706 1 621 . 1 1 58 58 ARG CB C 13 30.548 0.061 . 1 . . . A 58 ARG CB . 25706 1 622 . 1 1 58 58 ARG CG C 13 27.806 0.000 . 1 . . . A 58 ARG CG . 25706 1 623 . 1 1 58 58 ARG CD C 13 43.907 0.026 . 1 . . . A 58 ARG CD . 25706 1 624 . 1 1 58 58 ARG N N 15 120.818 0.012 . 1 . . . A 58 ARG N . 25706 1 625 . 1 1 58 58 ARG NE N 15 85.066 0.000 . 1 . . . A 58 ARG NE . 25706 1 626 . 1 1 59 59 PHE H H 1 8.615 0.001 . 1 . . . A 59 PHE H . 25706 1 627 . 1 1 59 59 PHE HA H 1 4.748 0.005 . 1 . . . A 59 PHE HA . 25706 1 628 . 1 1 59 59 PHE HB2 H 1 3.186 0.000 . 2 . . . A 59 PHE HB2 . 25706 1 629 . 1 1 59 59 PHE HB3 H 1 3.007 0.003 . 2 . . . A 59 PHE HB3 . 25706 1 630 . 1 1 59 59 PHE HD1 H 1 7.090 0.000 . 1 . . . A 59 PHE HD1 . 25706 1 631 . 1 1 59 59 PHE HD2 H 1 7.090 0.000 . 1 . . . A 59 PHE HD2 . 25706 1 632 . 1 1 59 59 PHE HE1 H 1 7.333 0.000 . 1 . . . A 59 PHE HE1 . 25706 1 633 . 1 1 59 59 PHE HE2 H 1 7.333 0.000 . 1 . . . A 59 PHE HE2 . 25706 1 634 . 1 1 59 59 PHE HZ H 1 7.084 0.000 . 1 . . . A 59 PHE HZ . 25706 1 635 . 1 1 59 59 PHE C C 13 178.260 0.000 . 1 . . . A 59 PHE C . 25706 1 636 . 1 1 59 59 PHE CA C 13 60.277 0.100 . 1 . . . A 59 PHE CA . 25706 1 637 . 1 1 59 59 PHE CB C 13 39.220 0.042 . 1 . . . A 59 PHE CB . 25706 1 638 . 1 1 59 59 PHE CD1 C 13 129.853 0.000 . 1 . . . A 59 PHE CD1 . 25706 1 639 . 1 1 59 59 PHE CD2 C 13 129.853 0.000 . 1 . . . A 59 PHE CD2 . 25706 1 640 . 1 1 59 59 PHE CE1 C 13 131.733 0.000 . 1 . . . A 59 PHE CE1 . 25706 1 641 . 1 1 59 59 PHE CE2 C 13 131.733 0.000 . 1 . . . A 59 PHE CE2 . 25706 1 642 . 1 1 59 59 PHE CZ C 13 131.752 0.000 . 1 . . . A 59 PHE CZ . 25706 1 643 . 1 1 59 59 PHE N N 15 119.668 0.010 . 1 . . . A 59 PHE N . 25706 1 644 . 1 1 60 60 LYS H H 1 8.800 0.001 . 1 . . . A 60 LYS H . 25706 1 645 . 1 1 60 60 LYS HA H 1 3.487 0.002 . 1 . . . A 60 LYS HA . 25706 1 646 . 1 1 60 60 LYS HB2 H 1 2.164 0.002 . 2 . . . A 60 LYS HB2 . 25706 1 647 . 1 1 60 60 LYS HB3 H 1 1.781 0.001 . 2 . . . A 60 LYS HB3 . 25706 1 648 . 1 1 60 60 LYS HG2 H 1 1.531 0.002 . 2 . . . A 60 LYS HG2 . 25706 1 649 . 1 1 60 60 LYS HG3 H 1 1.437 0.002 . 2 . . . A 60 LYS HG3 . 25706 1 650 . 1 1 60 60 LYS HD2 H 1 1.702 0.002 . 1 . . . A 60 LYS HD2 . 25706 1 651 . 1 1 60 60 LYS HD3 H 1 1.702 0.002 . 1 . . . A 60 LYS HD3 . 25706 1 652 . 1 1 60 60 LYS HE2 H 1 3.141 0.002 . 2 . . . A 60 LYS HE2 . 25706 1 653 . 1 1 60 60 LYS HE3 H 1 3.077 0.003 . 2 . . . A 60 LYS HE3 . 25706 1 654 . 1 1 60 60 LYS C C 13 177.801 0.000 . 1 . . . A 60 LYS C . 25706 1 655 . 1 1 60 60 LYS CA C 13 59.825 0.043 . 1 . . . A 60 LYS CA . 25706 1 656 . 1 1 60 60 LYS CB C 13 32.416 0.022 . 1 . . . A 60 LYS CB . 25706 1 657 . 1 1 60 60 LYS CG C 13 25.400 0.046 . 1 . . . A 60 LYS CG . 25706 1 658 . 1 1 60 60 LYS CD C 13 29.740 0.029 . 1 . . . A 60 LYS CD . 25706 1 659 . 1 1 60 60 LYS CE C 13 42.387 0.047 . 1 . . . A 60 LYS CE . 25706 1 660 . 1 1 60 60 LYS N N 15 123.687 0.003 . 1 . . . A 60 LYS N . 25706 1 661 . 1 1 61 61 ASP H H 1 8.107 0.002 . 1 . . . A 61 ASP H . 25706 1 662 . 1 1 61 61 ASP HA H 1 4.593 0.003 . 1 . . . A 61 ASP HA . 25706 1 663 . 1 1 61 61 ASP HB2 H 1 2.758 0.000 . 1 . . . A 61 ASP HB2 . 25706 1 664 . 1 1 61 61 ASP HB3 H 1 2.758 0.000 . 1 . . . A 61 ASP HB3 . 25706 1 665 . 1 1 61 61 ASP C C 13 177.052 0.000 . 1 . . . A 61 ASP C . 25706 1 666 . 1 1 61 61 ASP CA C 13 54.919 0.067 . 1 . . . A 61 ASP CA . 25706 1 667 . 1 1 61 61 ASP CB C 13 41.006 0.030 . 1 . . . A 61 ASP CB . 25706 1 668 . 1 1 61 61 ASP N N 15 116.083 0.012 . 1 . . . A 61 ASP N . 25706 1 669 . 1 1 62 62 GLY H H 1 7.625 0.001 . 1 . . . A 62 GLY H . 25706 1 670 . 1 1 62 62 GLY HA2 H 1 4.239 0.000 . 2 . . . A 62 GLY HA2 . 25706 1 671 . 1 1 62 62 GLY HA3 H 1 3.852 0.000 . 2 . . . A 62 GLY HA3 . 25706 1 672 . 1 1 62 62 GLY C C 13 175.018 0.000 . 1 . . . A 62 GLY C . 25706 1 673 . 1 1 62 62 GLY CA C 13 45.385 0.042 . 1 . . . A 62 GLY CA . 25706 1 674 . 1 1 62 62 GLY N N 15 107.294 0.020 . 1 . . . A 62 GLY N . 25706 1 675 . 1 1 63 63 GLY H H 1 8.687 0.000 . 1 . . . A 63 GLY H . 25706 1 676 . 1 1 63 63 GLY HA2 H 1 4.095 0.000 . 2 . . . A 63 GLY HA2 . 25706 1 677 . 1 1 63 63 GLY HA3 H 1 3.780 0.000 . 2 . . . A 63 GLY HA3 . 25706 1 678 . 1 1 63 63 GLY C C 13 173.393 0.000 . 1 . . . A 63 GLY C . 25706 1 679 . 1 1 63 63 GLY CA C 13 45.737 0.063 . 1 . . . A 63 GLY CA . 25706 1 680 . 1 1 63 63 GLY N N 15 109.718 0.002 . 1 . . . A 63 GLY N . 25706 1 681 . 1 1 64 64 LEU H H 1 7.034 0.001 . 1 . . . A 64 LEU H . 25706 1 682 . 1 1 64 64 LEU HA H 1 4.718 0.004 . 1 . . . A 64 LEU HA . 25706 1 683 . 1 1 64 64 LEU HB2 H 1 1.555 0.001 . 2 . . . A 64 LEU HB2 . 25706 1 684 . 1 1 64 64 LEU HB3 H 1 1.332 0.002 . 2 . . . A 64 LEU HB3 . 25706 1 685 . 1 1 64 64 LEU HG H 1 1.530 0.000 . 1 . . . A 64 LEU HG . 25706 1 686 . 1 1 64 64 LEU HD11 H 1 0.950 0.002 . 2 . . . A 64 LEU HD11 . 25706 1 687 . 1 1 64 64 LEU HD12 H 1 0.950 0.002 . 2 . . . A 64 LEU HD12 . 25706 1 688 . 1 1 64 64 LEU HD13 H 1 0.950 0.002 . 2 . . . A 64 LEU HD13 . 25706 1 689 . 1 1 64 64 LEU HD21 H 1 0.930 0.002 . 2 . . . A 64 LEU HD21 . 25706 1 690 . 1 1 64 64 LEU HD22 H 1 0.930 0.002 . 2 . . . A 64 LEU HD22 . 25706 1 691 . 1 1 64 64 LEU HD23 H 1 0.930 0.002 . 2 . . . A 64 LEU HD23 . 25706 1 692 . 1 1 64 64 LEU C C 13 175.357 0.000 . 1 . . . A 64 LEU C . 25706 1 693 . 1 1 64 64 LEU CA C 13 53.937 1.653 . 1 . . . A 64 LEU CA . 25706 1 694 . 1 1 64 64 LEU CB C 13 47.077 0.033 . 1 . . . A 64 LEU CB . 25706 1 695 . 1 1 64 64 LEU CG C 13 26.828 0.021 . 1 . . . A 64 LEU CG . 25706 1 696 . 1 1 64 64 LEU CD1 C 13 26.771 0.033 . 2 . . . A 64 LEU CD1 . 25706 1 697 . 1 1 64 64 LEU CD2 C 13 24.943 0.028 . 2 . . . A 64 LEU CD2 . 25706 1 698 . 1 1 64 64 LEU N N 15 119.332 0.008 . 1 . . . A 64 LEU N . 25706 1 699 . 1 1 65 65 ASP H H 1 8.287 0.002 . 1 . . . A 65 ASP H . 25706 1 700 . 1 1 65 65 ASP HA H 1 4.793 0.004 . 1 . . . A 65 ASP HA . 25706 1 701 . 1 1 65 65 ASP HB2 H 1 3.140 0.001 . 2 . . . A 65 ASP HB2 . 25706 1 702 . 1 1 65 65 ASP HB3 H 1 2.779 0.002 . 2 . . . A 65 ASP HB3 . 25706 1 703 . 1 1 65 65 ASP C C 13 175.652 0.000 . 1 . . . A 65 ASP C . 25706 1 704 . 1 1 65 65 ASP CA C 13 52.877 0.112 . 1 . . . A 65 ASP CA . 25706 1 705 . 1 1 65 65 ASP CB C 13 41.818 0.008 . 1 . . . A 65 ASP CB . 25706 1 706 . 1 1 65 65 ASP N N 15 121.569 0.015 . 1 . . . A 65 ASP N . 25706 1 707 . 1 1 66 66 ARG H H 1 8.860 0.000 . 1 . . . A 66 ARG H . 25706 1 708 . 1 1 66 66 ARG HA H 1 3.755 0.002 . 1 . . . A 66 ARG HA . 25706 1 709 . 1 1 66 66 ARG HB2 H 1 2.111 0.000 . 2 . . . A 66 ARG HB2 . 25706 1 710 . 1 1 66 66 ARG HB3 H 1 1.879 0.002 . 2 . . . A 66 ARG HB3 . 25706 1 711 . 1 1 66 66 ARG HG2 H 1 1.552 0.001 . 2 . . . A 66 ARG HG2 . 25706 1 712 . 1 1 66 66 ARG HG3 H 1 1.459 0.001 . 2 . . . A 66 ARG HG3 . 25706 1 713 . 1 1 66 66 ARG HD2 H 1 3.407 0.003 . 2 . . . A 66 ARG HD2 . 25706 1 714 . 1 1 66 66 ARG HD3 H 1 3.185 0.005 . 2 . . . A 66 ARG HD3 . 25706 1 715 . 1 1 66 66 ARG C C 13 177.271 0.000 . 1 . . . A 66 ARG C . 25706 1 716 . 1 1 66 66 ARG CA C 13 60.564 0.055 . 1 . . . A 66 ARG CA . 25706 1 717 . 1 1 66 66 ARG CB C 13 30.849 0.058 . 1 . . . A 66 ARG CB . 25706 1 718 . 1 1 66 66 ARG CG C 13 27.924 0.020 . 1 . . . A 66 ARG CG . 25706 1 719 . 1 1 66 66 ARG CD C 13 43.301 0.033 . 1 . . . A 66 ARG CD . 25706 1 720 . 1 1 66 66 ARG N N 15 120.199 0.010 . 1 . . . A 66 ARG N . 25706 1 721 . 1 1 67 67 ALA H H 1 8.339 0.001 . 1 . . . A 67 ALA H . 25706 1 722 . 1 1 67 67 ALA HA H 1 4.084 0.002 . 1 . . . A 67 ALA HA . 25706 1 723 . 1 1 67 67 ALA HB1 H 1 1.436 0.003 . 1 . . . A 67 ALA HB1 . 25706 1 724 . 1 1 67 67 ALA HB2 H 1 1.436 0.003 . 1 . . . A 67 ALA HB2 . 25706 1 725 . 1 1 67 67 ALA HB3 H 1 1.436 0.003 . 1 . . . A 67 ALA HB3 . 25706 1 726 . 1 1 67 67 ALA C C 13 181.015 0.000 . 1 . . . A 67 ALA C . 25706 1 727 . 1 1 67 67 ALA CA C 13 55.176 0.034 . 1 . . . A 67 ALA CA . 25706 1 728 . 1 1 67 67 ALA CB C 13 17.841 0.016 . 1 . . . A 67 ALA CB . 25706 1 729 . 1 1 67 67 ALA N N 15 120.212 0.006 . 1 . . . A 67 ALA N . 25706 1 730 . 1 1 68 68 ALA H H 1 8.184 0.002 . 1 . . . A 68 ALA H . 25706 1 731 . 1 1 68 68 ALA HA H 1 4.155 0.001 . 1 . . . A 68 ALA HA . 25706 1 732 . 1 1 68 68 ALA HB1 H 1 1.548 0.001 . 1 . . . A 68 ALA HB1 . 25706 1 733 . 1 1 68 68 ALA HB2 H 1 1.548 0.001 . 1 . . . A 68 ALA HB2 . 25706 1 734 . 1 1 68 68 ALA HB3 H 1 1.548 0.001 . 1 . . . A 68 ALA HB3 . 25706 1 735 . 1 1 68 68 ALA C C 13 180.071 0.000 . 1 . . . A 68 ALA C . 25706 1 736 . 1 1 68 68 ALA CA C 13 54.950 0.031 . 1 . . . A 68 ALA CA . 25706 1 737 . 1 1 68 68 ALA CB C 13 19.247 0.050 . 1 . . . A 68 ALA CB . 25706 1 738 . 1 1 68 68 ALA N N 15 122.433 0.031 . 1 . . . A 68 ALA N . 25706 1 739 . 1 1 69 69 ALA H H 1 8.511 0.001 . 1 . . . A 69 ALA H . 25706 1 740 . 1 1 69 69 ALA HA H 1 3.832 0.003 . 1 . . . A 69 ALA HA . 25706 1 741 . 1 1 69 69 ALA HB1 H 1 1.100 0.001 . 1 . . . A 69 ALA HB1 . 25706 1 742 . 1 1 69 69 ALA HB2 H 1 1.100 0.001 . 1 . . . A 69 ALA HB2 . 25706 1 743 . 1 1 69 69 ALA HB3 H 1 1.100 0.001 . 1 . . . A 69 ALA HB3 . 25706 1 744 . 1 1 69 69 ALA C C 13 178.826 0.000 . 1 . . . A 69 ALA C . 25706 1 745 . 1 1 69 69 ALA CA C 13 55.530 0.046 . 1 . . . A 69 ALA CA . 25706 1 746 . 1 1 69 69 ALA CB C 13 17.977 0.027 . 1 . . . A 69 ALA CB . 25706 1 747 . 1 1 69 69 ALA N N 15 119.845 0.014 . 1 . . . A 69 ALA N . 25706 1 748 . 1 1 70 70 GLN H H 1 8.528 0.001 . 1 . . . A 70 GLN H . 25706 1 749 . 1 1 70 70 GLN HA H 1 3.600 0.001 . 1 . . . A 70 GLN HA . 25706 1 750 . 1 1 70 70 GLN HB2 H 1 2.104 0.003 . 2 . . . A 70 GLN HB2 . 25706 1 751 . 1 1 70 70 GLN HB3 H 1 2.014 0.000 . 2 . . . A 70 GLN HB3 . 25706 1 752 . 1 1 70 70 GLN HG2 H 1 2.318 0.001 . 2 . . . A 70 GLN HG2 . 25706 1 753 . 1 1 70 70 GLN HG3 H 1 2.118 0.009 . 2 . . . A 70 GLN HG3 . 25706 1 754 . 1 1 70 70 GLN HE21 H 1 7.016 0.000 . 1 . . . A 70 GLN HE21 . 25706 1 755 . 1 1 70 70 GLN HE22 H 1 6.831 0.000 . 1 . . . A 70 GLN HE22 . 25706 1 756 . 1 1 70 70 GLN C C 13 177.832 0.000 . 1 . . . A 70 GLN C . 25706 1 757 . 1 1 70 70 GLN CA C 13 60.050 0.042 . 1 . . . A 70 GLN CA . 25706 1 758 . 1 1 70 70 GLN CB C 13 28.175 0.027 . 1 . . . A 70 GLN CB . 25706 1 759 . 1 1 70 70 GLN CG C 13 34.293 0.015 . 1 . . . A 70 GLN CG . 25706 1 760 . 1 1 70 70 GLN N N 15 116.137 0.011 . 1 . . . A 70 GLN N . 25706 1 761 . 1 1 70 70 GLN NE2 N 15 109.874 0.005 . 1 . . . A 70 GLN NE2 . 25706 1 762 . 1 1 71 71 ALA H H 1 7.625 0.001 . 1 . . . A 71 ALA H . 25706 1 763 . 1 1 71 71 ALA HA H 1 4.063 0.000 . 1 . . . A 71 ALA HA . 25706 1 764 . 1 1 71 71 ALA HB1 H 1 1.438 0.003 . 1 . . . A 71 ALA HB1 . 25706 1 765 . 1 1 71 71 ALA HB2 H 1 1.438 0.003 . 1 . . . A 71 ALA HB2 . 25706 1 766 . 1 1 71 71 ALA HB3 H 1 1.438 0.003 . 1 . . . A 71 ALA HB3 . 25706 1 767 . 1 1 71 71 ALA C C 13 180.495 0.000 . 1 . . . A 71 ALA C . 25706 1 768 . 1 1 71 71 ALA CA C 13 55.178 0.081 . 1 . . . A 71 ALA CA . 25706 1 769 . 1 1 71 71 ALA CB C 13 17.896 0.043 . 1 . . . A 71 ALA CB . 25706 1 770 . 1 1 71 71 ALA N N 15 120.118 0.008 . 1 . . . A 71 ALA N . 25706 1 771 . 1 1 72 72 LEU H H 1 8.068 0.001 . 1 . . . A 72 LEU H . 25706 1 772 . 1 1 72 72 LEU HA H 1 4.173 0.005 . 1 . . . A 72 LEU HA . 25706 1 773 . 1 1 72 72 LEU HB2 H 1 1.858 0.005 . 2 . . . A 72 LEU HB2 . 25706 1 774 . 1 1 72 72 LEU HB3 H 1 1.412 0.002 . 2 . . . A 72 LEU HB3 . 25706 1 775 . 1 1 72 72 LEU HG H 1 1.859 0.004 . 1 . . . A 72 LEU HG . 25706 1 776 . 1 1 72 72 LEU HD11 H 1 0.922 0.001 . 2 . . . A 72 LEU HD11 . 25706 1 777 . 1 1 72 72 LEU HD12 H 1 0.922 0.001 . 2 . . . A 72 LEU HD12 . 25706 1 778 . 1 1 72 72 LEU HD13 H 1 0.922 0.001 . 2 . . . A 72 LEU HD13 . 25706 1 779 . 1 1 72 72 LEU HD21 H 1 0.894 0.001 . 2 . . . A 72 LEU HD21 . 25706 1 780 . 1 1 72 72 LEU HD22 H 1 0.894 0.001 . 2 . . . A 72 LEU HD22 . 25706 1 781 . 1 1 72 72 LEU HD23 H 1 0.894 0.001 . 2 . . . A 72 LEU HD23 . 25706 1 782 . 1 1 72 72 LEU C C 13 180.674 0.000 . 1 . . . A 72 LEU C . 25706 1 783 . 1 1 72 72 LEU CA C 13 57.554 0.082 . 1 . . . A 72 LEU CA . 25706 1 784 . 1 1 72 72 LEU CB C 13 42.767 0.069 . 1 . . . A 72 LEU CB . 25706 1 785 . 1 1 72 72 LEU CG C 13 27.141 0.054 . 1 . . . A 72 LEU CG . 25706 1 786 . 1 1 72 72 LEU CD1 C 13 22.858 0.056 . 2 . . . A 72 LEU CD1 . 25706 1 787 . 1 1 72 72 LEU CD2 C 13 26.726 0.011 . 2 . . . A 72 LEU CD2 . 25706 1 788 . 1 1 72 72 LEU N N 15 117.959 0.014 . 1 . . . A 72 LEU N . 25706 1 789 . 1 1 73 73 LEU H H 1 8.251 0.002 . 1 . . . A 73 LEU H . 25706 1 790 . 1 1 73 73 LEU HA H 1 4.114 0.004 . 1 . . . A 73 LEU HA . 25706 1 791 . 1 1 73 73 LEU HB2 H 1 1.876 0.004 . 2 . . . A 73 LEU HB2 . 25706 1 792 . 1 1 73 73 LEU HB3 H 1 1.410 0.002 . 2 . . . A 73 LEU HB3 . 25706 1 793 . 1 1 73 73 LEU HG H 1 1.874 0.000 . 1 . . . A 73 LEU HG . 25706 1 794 . 1 1 73 73 LEU HD11 H 1 0.822 0.000 . 2 . . . A 73 LEU HD11 . 25706 1 795 . 1 1 73 73 LEU HD12 H 1 0.822 0.000 . 2 . . . A 73 LEU HD12 . 25706 1 796 . 1 1 73 73 LEU HD13 H 1 0.822 0.000 . 2 . . . A 73 LEU HD13 . 25706 1 797 . 1 1 73 73 LEU HD21 H 1 0.665 0.000 . 2 . . . A 73 LEU HD21 . 25706 1 798 . 1 1 73 73 LEU HD22 H 1 0.665 0.000 . 2 . . . A 73 LEU HD22 . 25706 1 799 . 1 1 73 73 LEU HD23 H 1 0.665 0.000 . 2 . . . A 73 LEU HD23 . 25706 1 800 . 1 1 73 73 LEU C C 13 177.691 0.000 . 1 . . . A 73 LEU C . 25706 1 801 . 1 1 73 73 LEU CA C 13 56.724 0.033 . 1 . . . A 73 LEU CA . 25706 1 802 . 1 1 73 73 LEU CB C 13 42.589 0.044 . 1 . . . A 73 LEU CB . 25706 1 803 . 1 1 73 73 LEU CG C 13 27.030 0.000 . 1 . . . A 73 LEU CG . 25706 1 804 . 1 1 73 73 LEU CD1 C 13 22.884 0.063 . 2 . . . A 73 LEU CD1 . 25706 1 805 . 1 1 73 73 LEU CD2 C 13 26.172 0.061 . 2 . . . A 73 LEU CD2 . 25706 1 806 . 1 1 73 73 LEU N N 15 119.237 0.021 . 1 . . . A 73 LEU N . 25706 1 807 . 1 1 74 74 ALA H H 1 7.765 0.002 . 1 . . . A 74 ALA H . 25706 1 808 . 1 1 74 74 ALA HA H 1 4.288 0.001 . 1 . . . A 74 ALA HA . 25706 1 809 . 1 1 74 74 ALA HB1 H 1 1.454 0.002 . 1 . . . A 74 ALA HB1 . 25706 1 810 . 1 1 74 74 ALA HB2 H 1 1.454 0.002 . 1 . . . A 74 ALA HB2 . 25706 1 811 . 1 1 74 74 ALA HB3 H 1 1.454 0.002 . 1 . . . A 74 ALA HB3 . 25706 1 812 . 1 1 74 74 ALA C C 13 178.222 0.000 . 1 . . . A 74 ALA C . 25706 1 813 . 1 1 74 74 ALA CA C 13 52.861 0.010 . 1 . . . A 74 ALA CA . 25706 1 814 . 1 1 74 74 ALA CB C 13 19.198 0.066 . 1 . . . A 74 ALA CB . 25706 1 815 . 1 1 74 74 ALA N N 15 120.421 0.009 . 1 . . . A 74 ALA N . 25706 1 816 . 1 1 75 75 GLY H H 1 7.895 0.002 . 1 . . . A 75 GLY H . 25706 1 817 . 1 1 75 75 GLY HA2 H 1 3.971 0.000 . 1 . . . A 75 GLY HA2 . 25706 1 818 . 1 1 75 75 GLY HA3 H 1 3.971 0.000 . 1 . . . A 75 GLY HA3 . 25706 1 819 . 1 1 75 75 GLY C C 13 174.299 0.000 . 1 . . . A 75 GLY C . 25706 1 820 . 1 1 75 75 GLY CA C 13 45.787 0.031 . 1 . . . A 75 GLY CA . 25706 1 821 . 1 1 75 75 GLY N N 15 106.485 0.008 . 1 . . . A 75 GLY N . 25706 1 822 . 1 1 76 76 ARG H H 1 8.110 0.001 . 1 . . . A 76 ARG H . 25706 1 823 . 1 1 76 76 ARG HA H 1 4.502 0.003 . 1 . . . A 76 ARG HA . 25706 1 824 . 1 1 76 76 ARG HB2 H 1 1.875 0.002 . 2 . . . A 76 ARG HB2 . 25706 1 825 . 1 1 76 76 ARG HB3 H 1 1.717 0.001 . 2 . . . A 76 ARG HB3 . 25706 1 826 . 1 1 76 76 ARG HG2 H 1 1.601 0.001 . 1 . . . A 76 ARG HG2 . 25706 1 827 . 1 1 76 76 ARG HG3 H 1 1.601 0.001 . 1 . . . A 76 ARG HG3 . 25706 1 828 . 1 1 76 76 ARG HD2 H 1 3.146 0.000 . 1 . . . A 76 ARG HD2 . 25706 1 829 . 1 1 76 76 ARG HD3 H 1 3.146 0.000 . 1 . . . A 76 ARG HD3 . 25706 1 830 . 1 1 76 76 ARG C C 13 175.750 0.000 . 1 . . . A 76 ARG C . 25706 1 831 . 1 1 76 76 ARG CA C 13 55.407 0.067 . 1 . . . A 76 ARG CA . 25706 1 832 . 1 1 76 76 ARG CB C 13 31.303 0.088 . 1 . . . A 76 ARG CB . 25706 1 833 . 1 1 76 76 ARG CG C 13 27.349 0.020 . 1 . . . A 76 ARG CG . 25706 1 834 . 1 1 76 76 ARG CD C 13 43.332 0.006 . 1 . . . A 76 ARG CD . 25706 1 835 . 1 1 76 76 ARG N N 15 119.703 0.015 . 1 . . . A 76 ARG N . 25706 1 836 . 1 1 77 77 THR H H 1 8.181 0.001 . 1 . . . A 77 THR H . 25706 1 837 . 1 1 77 77 THR HA H 1 4.582 0.001 . 1 . . . A 77 THR HA . 25706 1 838 . 1 1 77 77 THR HB H 1 4.119 0.001 . 1 . . . A 77 THR HB . 25706 1 839 . 1 1 77 77 THR HG21 H 1 1.244 0.001 . 1 . . . A 77 THR HG21 . 25706 1 840 . 1 1 77 77 THR HG22 H 1 1.244 0.001 . 1 . . . A 77 THR HG22 . 25706 1 841 . 1 1 77 77 THR HG23 H 1 1.244 0.001 . 1 . . . A 77 THR HG23 . 25706 1 842 . 1 1 77 77 THR CA C 13 59.920 0.034 . 1 . . . A 77 THR CA . 25706 1 843 . 1 1 77 77 THR CB C 13 69.810 0.028 . 1 . . . A 77 THR CB . 25706 1 844 . 1 1 77 77 THR CG2 C 13 21.412 0.085 . 1 . . . A 77 THR CG2 . 25706 1 845 . 1 1 77 77 THR N N 15 116.771 0.056 . 1 . . . A 77 THR N . 25706 1 846 . 1 1 78 78 PRO HA H 1 4.368 0.009 . 1 . . . A 78 PRO HA . 25706 1 847 . 1 1 78 78 PRO HB2 H 1 2.271 0.002 . 2 . . . A 78 PRO HB2 . 25706 1 848 . 1 1 78 78 PRO HB3 H 1 1.940 0.002 . 2 . . . A 78 PRO HB3 . 25706 1 849 . 1 1 78 78 PRO HG2 H 1 2.066 0.000 . 2 . . . A 78 PRO HG2 . 25706 1 850 . 1 1 78 78 PRO HG3 H 1 1.945 0.004 . 2 . . . A 78 PRO HG3 . 25706 1 851 . 1 1 78 78 PRO HD2 H 1 3.848 0.004 . 2 . . . A 78 PRO HD2 . 25706 1 852 . 1 1 78 78 PRO HD3 H 1 3.718 0.003 . 2 . . . A 78 PRO HD3 . 25706 1 853 . 1 1 78 78 PRO C C 13 176.366 0.000 . 1 . . . A 78 PRO C . 25706 1 854 . 1 1 78 78 PRO CA C 13 63.154 0.074 . 1 . . . A 78 PRO CA . 25706 1 855 . 1 1 78 78 PRO CB C 13 32.108 0.017 . 1 . . . A 78 PRO CB . 25706 1 856 . 1 1 78 78 PRO CG C 13 27.337 0.140 . 1 . . . A 78 PRO CG . 25706 1 857 . 1 1 78 78 PRO CD C 13 50.970 0.022 . 1 . . . A 78 PRO CD . 25706 1 858 . 1 1 79 79 ALA H H 1 8.417 0.001 . 1 . . . A 79 ALA H . 25706 1 859 . 1 1 79 79 ALA HA H 1 4.246 0.000 . 1 . . . A 79 ALA HA . 25706 1 860 . 1 1 79 79 ALA HB1 H 1 1.364 0.002 . 1 . . . A 79 ALA HB1 . 25706 1 861 . 1 1 79 79 ALA HB2 H 1 1.364 0.002 . 1 . . . A 79 ALA HB2 . 25706 1 862 . 1 1 79 79 ALA HB3 H 1 1.364 0.002 . 1 . . . A 79 ALA HB3 . 25706 1 863 . 1 1 79 79 ALA C C 13 177.314 0.000 . 1 . . . A 79 ALA C . 25706 1 864 . 1 1 79 79 ALA CA C 13 52.398 0.019 . 1 . . . A 79 ALA CA . 25706 1 865 . 1 1 79 79 ALA CB C 13 19.306 0.019 . 1 . . . A 79 ALA CB . 25706 1 866 . 1 1 79 79 ALA N N 15 124.715 0.013 . 1 . . . A 79 ALA N . 25706 1 867 . 1 1 80 80 ALA H H 1 8.232 0.001 . 1 . . . A 80 ALA H . 25706 1 868 . 1 1 80 80 ALA HA H 1 4.290 0.001 . 1 . . . A 80 ALA HA . 25706 1 869 . 1 1 80 80 ALA HB1 H 1 1.359 0.002 . 1 . . . A 80 ALA HB1 . 25706 1 870 . 1 1 80 80 ALA HB2 H 1 1.359 0.002 . 1 . . . A 80 ALA HB2 . 25706 1 871 . 1 1 80 80 ALA HB3 H 1 1.359 0.002 . 1 . . . A 80 ALA HB3 . 25706 1 872 . 1 1 80 80 ALA C C 13 177.000 0.000 . 1 . . . A 80 ALA C . 25706 1 873 . 1 1 80 80 ALA CA C 13 52.010 0.000 . 1 . . . A 80 ALA CA . 25706 1 874 . 1 1 80 80 ALA CB C 13 19.447 0.010 . 1 . . . A 80 ALA CB . 25706 1 875 . 1 1 80 80 ALA N N 15 123.467 0.006 . 1 . . . A 80 ALA N . 25706 1 876 . 1 1 81 81 ALA H H 1 8.250 0.001 . 1 . . . A 81 ALA H . 25706 1 877 . 1 1 81 81 ALA HA H 1 4.562 0.000 . 1 . . . A 81 ALA HA . 25706 1 878 . 1 1 81 81 ALA HB1 H 1 1.357 0.004 . 1 . . . A 81 ALA HB1 . 25706 1 879 . 1 1 81 81 ALA HB2 H 1 1.357 0.004 . 1 . . . A 81 ALA HB2 . 25706 1 880 . 1 1 81 81 ALA HB3 H 1 1.357 0.004 . 1 . . . A 81 ALA HB3 . 25706 1 881 . 1 1 81 81 ALA CA C 13 50.431 0.057 . 1 . . . A 81 ALA CA . 25706 1 882 . 1 1 81 81 ALA CB C 13 19.480 0.000 . 1 . . . A 81 ALA CB . 25706 1 883 . 1 1 81 81 ALA N N 15 125.029 0.008 . 1 . . . A 81 ALA N . 25706 1 884 . 1 1 82 82 PRO HA H 1 4.412 0.003 . 1 . . . A 82 PRO HA . 25706 1 885 . 1 1 82 82 PRO HB2 H 1 2.271 0.001 . 2 . . . A 82 PRO HB2 . 25706 1 886 . 1 1 82 82 PRO HB3 H 1 1.865 0.001 . 2 . . . A 82 PRO HB3 . 25706 1 887 . 1 1 82 82 PRO HG2 H 1 2.013 0.003 . 1 . . . A 82 PRO HG2 . 25706 1 888 . 1 1 82 82 PRO HG3 H 1 2.013 0.003 . 1 . . . A 82 PRO HG3 . 25706 1 889 . 1 1 82 82 PRO HD2 H 1 3.673 0.068 . 2 . . . A 82 PRO HD2 . 25706 1 890 . 1 1 82 82 PRO HD3 H 1 3.791 0.002 . 2 . . . A 82 PRO HD3 . 25706 1 891 . 1 1 82 82 PRO C C 13 176.531 0.000 . 1 . . . A 82 PRO C . 25706 1 892 . 1 1 82 82 PRO CA C 13 62.998 0.036 . 1 . . . A 82 PRO CA . 25706 1 893 . 1 1 82 82 PRO CB C 13 32.083 0.038 . 1 . . . A 82 PRO CB . 25706 1 894 . 1 1 82 82 PRO CG C 13 27.423 0.059 . 1 . . . A 82 PRO CG . 25706 1 895 . 1 1 82 82 PRO CD C 13 50.457 0.038 . 1 . . . A 82 PRO CD . 25706 1 896 . 1 1 83 83 ARG H H 1 8.384 0.001 . 1 . . . A 83 ARG H . 25706 1 897 . 1 1 83 83 ARG HA H 1 4.611 0.001 . 1 . . . A 83 ARG HA . 25706 1 898 . 1 1 83 83 ARG HB2 H 1 1.889 0.002 . 2 . . . A 83 ARG HB2 . 25706 1 899 . 1 1 83 83 ARG HB3 H 1 1.739 0.001 . 2 . . . A 83 ARG HB3 . 25706 1 900 . 1 1 83 83 ARG HG2 H 1 1.721 0.002 . 1 . . . A 83 ARG HG2 . 25706 1 901 . 1 1 83 83 ARG HG3 H 1 1.721 0.002 . 1 . . . A 83 ARG HG3 . 25706 1 902 . 1 1 83 83 ARG HD2 H 1 3.223 0.004 . 1 . . . A 83 ARG HD2 . 25706 1 903 . 1 1 83 83 ARG HD3 H 1 3.223 0.004 . 1 . . . A 83 ARG HD3 . 25706 1 904 . 1 1 83 83 ARG CA C 13 53.778 0.051 . 1 . . . A 83 ARG CA . 25706 1 905 . 1 1 83 83 ARG CB C 13 30.242 0.045 . 1 . . . A 83 ARG CB . 25706 1 906 . 1 1 83 83 ARG CG C 13 26.832 0.002 . 1 . . . A 83 ARG CG . 25706 1 907 . 1 1 83 83 ARG CD C 13 43.490 0.053 . 1 . . . A 83 ARG CD . 25706 1 908 . 1 1 83 83 ARG N N 15 122.956 0.010 . 1 . . . A 83 ARG N . 25706 1 909 . 1 1 84 84 PRO HA H 1 4.232 0.001 . 1 . . . A 84 PRO HA . 25706 1 910 . 1 1 84 84 PRO HB2 H 1 2.222 0.001 . 2 . . . A 84 PRO HB2 . 25706 1 911 . 1 1 84 84 PRO HB3 H 1 1.894 0.000 . 2 . . . A 84 PRO HB3 . 25706 1 912 . 1 1 84 84 PRO HG2 H 1 1.999 0.000 . 2 . . . A 84 PRO HG2 . 25706 1 913 . 1 1 84 84 PRO HG3 H 1 1.969 0.004 . 2 . . . A 84 PRO HG3 . 25706 1 914 . 1 1 84 84 PRO HD2 H 1 3.744 0.000 . 2 . . . A 84 PRO HD2 . 25706 1 915 . 1 1 84 84 PRO HD3 H 1 3.624 0.002 . 2 . . . A 84 PRO HD3 . 25706 1 916 . 1 1 84 84 PRO CA C 13 64.799 0.043 . 1 . . . A 84 PRO CA . 25706 1 917 . 1 1 84 84 PRO CB C 13 32.060 0.008 . 1 . . . A 84 PRO CB . 25706 1 918 . 1 1 84 84 PRO CG C 13 27.230 0.028 . 1 . . . A 84 PRO CG . 25706 1 919 . 1 1 84 84 PRO CD C 13 50.379 0.020 . 1 . . . A 84 PRO CD . 25706 1 stop_ save_