data_34067 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34067 _Entry.Title ; Solution structure of the RBM5 OCRE domain in complex with polyproline SmN peptide. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-17 _Entry.Accession_date 2016-11-17 _Entry.Last_release_date 2016-12-01 _Entry.Original_release_date 2016-12-01 _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 . _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 A. Mourao A. . . . 34067 2 M. Sattler M. . . . 34067 3 S. Bonnal S. . . . 34067 4 S. Komal S. . . . 34067 5 L. Warner L. . . . 34067 6 R. Bordonne R. . . . 34067 7 J. Valcarcel J. . . . 34067 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID OCRE . 34067 'Poly proline binding domain' . 34067 SmN . 34067 'alternative splicing' . 34067 splicing . 34067 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34067 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 292 34067 '15N chemical shifts' 65 34067 '1H chemical shifts' 443 34067 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-12-05 . original BMRB . 34067 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34068 'RBM5 OCRE domain' 34067 PDB 5MF9 'BMRB Entry Tracking System' 34067 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34067 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.7554/eLife.14707 _Citation.PubMed_ID 27894420 _Citation.Full_citation . _Citation.Title ; Structural basis for the recognition ofspliceosomal SmN B B proteins by theRBM5 OCRE domain in splicing regulation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2050-084X _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 1 _Citation.Page_last 25 _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 A. Mourao A. . . . 34067 1 2 S. Bonnal S. . . . 34067 1 3 S. Komal S. . . . 34067 1 4 L. Warner L. . . . 34067 1 5 R. Bordonne R. . . . 34067 1 6 J. Valcarcel J. . . . 34067 1 7 M. Sattler M. . . . 34067 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34067 _Assembly.ID 1 _Assembly.Name 'RNA-binding protein 5, Survival motor neuron protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34067 1 2 entity_2 2 $entity_2 B B yes . . . . . . 34067 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34067 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GAMGTKYAVPDTSTYQYDES SGYYYDPTTGLYYDPNSQYY YNSLTQQYLYWDGEKETYVP AAES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 451-511' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7436.785 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Protein G15' na 34067 1 'Putative tumor suppressor LUCA15' na 34067 1 'RNA-binding motif protein 5' na 34067 1 'Renal carcinoma antigen NY-REN-9' na 34067 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34067 1 2 . ALA . 34067 1 3 . MET . 34067 1 4 . GLY . 34067 1 5 . THR . 34067 1 6 . LYS . 34067 1 7 . TYR . 34067 1 8 . ALA . 34067 1 9 . VAL . 34067 1 10 . PRO . 34067 1 11 . ASP . 34067 1 12 . THR . 34067 1 13 . SER . 34067 1 14 . THR . 34067 1 15 . TYR . 34067 1 16 . GLN . 34067 1 17 . TYR . 34067 1 18 . ASP . 34067 1 19 . GLU . 34067 1 20 . SER . 34067 1 21 . SER . 34067 1 22 . GLY . 34067 1 23 . TYR . 34067 1 24 . TYR . 34067 1 25 . TYR . 34067 1 26 . ASP . 34067 1 27 . PRO . 34067 1 28 . THR . 34067 1 29 . THR . 34067 1 30 . GLY . 34067 1 31 . LEU . 34067 1 32 . TYR . 34067 1 33 . TYR . 34067 1 34 . ASP . 34067 1 35 . PRO . 34067 1 36 . ASN . 34067 1 37 . SER . 34067 1 38 . GLN . 34067 1 39 . TYR . 34067 1 40 . TYR . 34067 1 41 . TYR . 34067 1 42 . ASN . 34067 1 43 . SER . 34067 1 44 . LEU . 34067 1 45 . THR . 34067 1 46 . GLN . 34067 1 47 . GLN . 34067 1 48 . TYR . 34067 1 49 . LEU . 34067 1 50 . TYR . 34067 1 51 . TRP . 34067 1 52 . ASP . 34067 1 53 . GLY . 34067 1 54 . GLU . 34067 1 55 . LYS . 34067 1 56 . GLU . 34067 1 57 . THR . 34067 1 58 . TYR . 34067 1 59 . VAL . 34067 1 60 . PRO . 34067 1 61 . ALA . 34067 1 62 . ALA . 34067 1 63 . GLU . 34067 1 64 . SER . 34067 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 34067 1 . ALA 2 2 34067 1 . MET 3 3 34067 1 . GLY 4 4 34067 1 . THR 5 5 34067 1 . LYS 6 6 34067 1 . TYR 7 7 34067 1 . ALA 8 8 34067 1 . VAL 9 9 34067 1 . PRO 10 10 34067 1 . ASP 11 11 34067 1 . THR 12 12 34067 1 . SER 13 13 34067 1 . THR 14 14 34067 1 . TYR 15 15 34067 1 . GLN 16 16 34067 1 . TYR 17 17 34067 1 . ASP 18 18 34067 1 . GLU 19 19 34067 1 . SER 20 20 34067 1 . SER 21 21 34067 1 . GLY 22 22 34067 1 . TYR 23 23 34067 1 . TYR 24 24 34067 1 . TYR 25 25 34067 1 . ASP 26 26 34067 1 . PRO 27 27 34067 1 . THR 28 28 34067 1 . THR 29 29 34067 1 . GLY 30 30 34067 1 . LEU 31 31 34067 1 . TYR 32 32 34067 1 . TYR 33 33 34067 1 . ASP 34 34 34067 1 . PRO 35 35 34067 1 . ASN 36 36 34067 1 . SER 37 37 34067 1 . GLN 38 38 34067 1 . TYR 39 39 34067 1 . TYR 40 40 34067 1 . TYR 41 41 34067 1 . ASN 42 42 34067 1 . SER 43 43 34067 1 . LEU 44 44 34067 1 . THR 45 45 34067 1 . GLN 46 46 34067 1 . GLN 47 47 34067 1 . TYR 48 48 34067 1 . LEU 49 49 34067 1 . TYR 50 50 34067 1 . TRP 51 51 34067 1 . ASP 52 52 34067 1 . GLY 53 53 34067 1 . GLU 54 54 34067 1 . LYS 55 55 34067 1 . GLU 56 56 34067 1 . THR 57 57 34067 1 . TYR 58 58 34067 1 . VAL 59 59 34067 1 . PRO 60 60 34067 1 . ALA 61 61 34067 1 . ALA 62 62 34067 1 . GLU 63 63 34067 1 . SER 64 64 34067 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34067 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMRPPPPGIRG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1136.371 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Component of gems 1' na 34067 2 Gemin-1 na 34067 2 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 1 100 GLY . 34067 2 2 101 MET . 34067 2 3 102 ARG . 34067 2 4 103 PRO . 34067 2 5 104 PRO . 34067 2 6 105 PRO . 34067 2 7 106 PRO . 34067 2 8 107 GLY . 34067 2 9 108 ILE . 34067 2 10 109 ARG . 34067 2 11 110 GLY . 34067 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34067 2 . MET 2 2 34067 2 . ARG 3 3 34067 2 . PRO 4 4 34067 2 . PRO 5 5 34067 2 . PRO 6 6 34067 2 . PRO 7 7 34067 2 . GLY 8 8 34067 2 . ILE 9 9 34067 2 . ARG 10 10 34067 2 . GLY 11 11 34067 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34067 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'RBM5, H37, LUCA15' . 34067 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'SMN1, SMN, SMNT, SMN2, SMNC' . 34067 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 34067 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34067 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34067 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34067 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details '2 mM [U-99% 15N] 15N, 2 mM [U-99% 13C; U-99% 15N] 13C_15N, 2 mM [U-13C; U-15N] unlabel, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 2 . . mM . . . . 34067 1 2 entity_1 '[U-99% 15N]' . . 1 $entity_1 . . 2 . . mM . . . . 34067 1 3 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 2 . . mM . . . . 34067 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 34067 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34067 1 pH 6.5 . pH 34067 1 pressure 1 . bar 34067 1 temperature 298 . K 34067 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34067 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34067 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34067 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34067 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34067 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34067 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34067 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34067 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34067 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34067 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 34067 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34067 4 'peak picking' 34067 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34067 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34067 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34067 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX900 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 34067 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX500 . 500 . . . 34067 1 2 NMR_spectrometer_2 Bruker DRX600 . 600 . . . 34067 1 3 NMR_spectrometer_3 Bruker DRX900 . 900 . . . 34067 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 34067 _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 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34067 1 2 '3D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34067 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34067 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34067 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34067 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34067 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34067 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34067 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34067 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34067 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34067 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34067 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34067 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34067 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY aliphatic' . . . 34067 1 2 '3D 1H-13C HSQC aromatic' . . . 34067 1 3 '2D 1H-15N HSQC' . . . 34067 1 4 '2D 1H-1H NOESY' . . . 34067 1 5 '3D HNCA' . . . 34067 1 6 '3D CBCA(CO)NH' . . . 34067 1 7 '3D HNCACB' . . . 34067 1 8 '3D HNCO' . . . 34067 1 9 '3D HCCH-TOCSY' . . . 34067 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 ALA HA H 1 4.314 . . 1 . . . A 2 ALA HA . 34067 1 2 . 1 1 2 2 ALA HB1 H 1 1.309 . . 1 . . . A 2 ALA HB1 . 34067 1 3 . 1 1 2 2 ALA HB2 H 1 1.309 . . 1 . . . A 2 ALA HB2 . 34067 1 4 . 1 1 2 2 ALA HB3 H 1 1.309 . . 1 . . . A 2 ALA HB3 . 34067 1 5 . 1 1 2 2 ALA CA C 13 52.424 . . 1 . . . A 2 ALA CA . 34067 1 6 . 1 1 2 2 ALA CB C 13 19.545 . . 1 . . . A 2 ALA CB . 34067 1 7 . 1 1 3 3 MET H H 1 8.654 . . 1 . . . A 3 MET H . 34067 1 8 . 1 1 3 3 MET HA H 1 4.461 . . 1 . . . A 3 MET HA . 34067 1 9 . 1 1 3 3 MET HB2 H 1 2.066 . . 2 . . . A 3 MET HB2 . 34067 1 10 . 1 1 3 3 MET HG2 H 1 2.500 . . 2 . . . A 3 MET HG2 . 34067 1 11 . 1 1 3 3 MET HE1 H 1 1.752 . . 1 . . . A 3 MET HE1 . 34067 1 12 . 1 1 3 3 MET HE2 H 1 1.752 . . 1 . . . A 3 MET HE2 . 34067 1 13 . 1 1 3 3 MET HE3 H 1 1.752 . . 1 . . . A 3 MET HE3 . 34067 1 14 . 1 1 3 3 MET C C 13 176.792 . . 1 . . . A 3 MET C . 34067 1 15 . 1 1 3 3 MET CA C 13 55.522 . . 1 . . . A 3 MET CA . 34067 1 16 . 1 1 3 3 MET CB C 13 32.700 . . 1 . . . A 3 MET CB . 34067 1 17 . 1 1 3 3 MET CG C 13 32.000 . . 1 . . . A 3 MET CG . 34067 1 18 . 1 1 3 3 MET CE C 13 17.000 . . 1 . . . A 3 MET CE . 34067 1 19 . 1 1 3 3 MET N N 15 119.798 . . 1 . . . A 3 MET N . 34067 1 20 . 1 1 4 4 GLY H H 1 8.539 . . 1 . . . A 4 GLY H . 34067 1 21 . 1 1 4 4 GLY HA2 H 1 3.963 . . 2 . . . A 4 GLY HA2 . 34067 1 22 . 1 1 4 4 GLY HA3 H 1 3.635 . . 2 . . . A 4 GLY HA3 . 34067 1 23 . 1 1 4 4 GLY C C 13 174.170 . . 1 . . . A 4 GLY C . 34067 1 24 . 1 1 4 4 GLY CA C 13 45.291 . . 1 . . . A 4 GLY CA . 34067 1 25 . 1 1 4 4 GLY N N 15 110.287 . . 1 . . . A 4 GLY N . 34067 1 26 . 1 1 5 5 THR H H 1 8.143 . . 1 . . . A 5 THR H . 34067 1 27 . 1 1 5 5 THR HA H 1 4.220 . . 1 . . . A 5 THR HA . 34067 1 28 . 1 1 5 5 THR HB H 1 4.063 . . 1 . . . A 5 THR HB . 34067 1 29 . 1 1 5 5 THR HG21 H 1 1.033 . . 1 . . . A 5 THR HG21 . 34067 1 30 . 1 1 5 5 THR HG22 H 1 1.033 . . 1 . . . A 5 THR HG22 . 34067 1 31 . 1 1 5 5 THR HG23 H 1 1.033 . . 1 . . . A 5 THR HG23 . 34067 1 32 . 1 1 5 5 THR C C 13 174.087 . . 1 . . . A 5 THR C . 34067 1 33 . 1 1 5 5 THR CA C 13 61.831 . . 1 . . . A 5 THR CA . 34067 1 34 . 1 1 5 5 THR CB C 13 69.852 . . 1 . . . A 5 THR CB . 34067 1 35 . 1 1 5 5 THR CG2 C 13 21.530 . . 1 . . . A 5 THR CG2 . 34067 1 36 . 1 1 5 5 THR N N 15 114.600 . . 1 . . . A 5 THR N . 34067 1 37 . 1 1 6 6 LYS H H 1 8.359 . . 1 . . . A 6 LYS H . 34067 1 38 . 1 1 6 6 LYS HA H 1 4.377 . . 1 . . . A 6 LYS HA . 34067 1 39 . 1 1 6 6 LYS HB2 H 1 1.651 . . 2 . . . A 6 LYS HB2 . 34067 1 40 . 1 1 6 6 LYS HB3 H 1 1.632 . . 2 . . . A 6 LYS HB3 . 34067 1 41 . 1 1 6 6 LYS HG2 H 1 1.601 . . 2 . . . A 6 LYS HG2 . 34067 1 42 . 1 1 6 6 LYS HG3 H 1 1.583 . . 2 . . . A 6 LYS HG3 . 34067 1 43 . 1 1 6 6 LYS HD2 H 1 1.247 . . 2 . . . A 6 LYS HD2 . 34067 1 44 . 1 1 6 6 LYS HD3 H 1 1.223 . . 2 . . . A 6 LYS HD3 . 34067 1 45 . 1 1 6 6 LYS HE2 H 1 2.894 . . 2 . . . A 6 LYS HE2 . 34067 1 46 . 1 1 6 6 LYS C C 13 175.838 . . 1 . . . A 6 LYS C . 34067 1 47 . 1 1 6 6 LYS CA C 13 56.082 . . 1 . . . A 6 LYS CA . 34067 1 48 . 1 1 6 6 LYS CB C 13 33.508 . . 1 . . . A 6 LYS CB . 34067 1 49 . 1 1 6 6 LYS CG C 13 29.024 . . 1 . . . A 6 LYS CG . 34067 1 50 . 1 1 6 6 LYS CD C 13 24.699 . . 1 . . . A 6 LYS CD . 34067 1 51 . 1 1 6 6 LYS CE C 13 41.806 . . 1 . . . A 6 LYS CE . 34067 1 52 . 1 1 6 6 LYS N N 15 124.034 . . 1 . . . A 6 LYS N . 34067 1 53 . 1 1 7 7 TYR H H 1 8.438 . . 1 . . . A 7 TYR H . 34067 1 54 . 1 1 7 7 TYR HA H 1 4.613 . . 1 . . . A 7 TYR HA . 34067 1 55 . 1 1 7 7 TYR HB2 H 1 3.236 . . 2 . . . A 7 TYR HB2 . 34067 1 56 . 1 1 7 7 TYR HB3 H 1 2.845 . . 2 . . . A 7 TYR HB3 . 34067 1 57 . 1 1 7 7 TYR HD1 H 1 7.239 . . 3 . . . A 7 TYR HD1 . 34067 1 58 . 1 1 7 7 TYR HD2 H 1 7.232 . . 3 . . . A 7 TYR HD2 . 34067 1 59 . 1 1 7 7 TYR HE1 H 1 6.814 . . 3 . . . A 7 TYR HE1 . 34067 1 60 . 1 1 7 7 TYR C C 13 175.180 . . 1 . . . A 7 TYR C . 34067 1 61 . 1 1 7 7 TYR CA C 13 57.319 . . 1 . . . A 7 TYR CA . 34067 1 62 . 1 1 7 7 TYR CB C 13 40.364 . . 1 . . . A 7 TYR CB . 34067 1 63 . 1 1 7 7 TYR CD1 C 13 133.359 . . 3 . . . A 7 TYR CD1 . 34067 1 64 . 1 1 7 7 TYR CE1 C 13 117.954 . . 3 . . . A 7 TYR CE1 . 34067 1 65 . 1 1 7 7 TYR N N 15 121.547 . . 1 . . . A 7 TYR N . 34067 1 66 . 1 1 8 8 ALA H H 1 8.383 . . 1 . . . A 8 ALA H . 34067 1 67 . 1 1 8 8 ALA HA H 1 4.315 . . 1 . . . A 8 ALA HA . 34067 1 68 . 1 1 8 8 ALA HB1 H 1 1.306 . . 1 . . . A 8 ALA HB1 . 34067 1 69 . 1 1 8 8 ALA HB2 H 1 1.306 . . 1 . . . A 8 ALA HB2 . 34067 1 70 . 1 1 8 8 ALA HB3 H 1 1.306 . . 1 . . . A 8 ALA HB3 . 34067 1 71 . 1 1 8 8 ALA C C 13 176.477 . . 1 . . . A 8 ALA C . 34067 1 72 . 1 1 8 8 ALA CA C 13 51.534 . . 1 . . . A 8 ALA CA . 34067 1 73 . 1 1 8 8 ALA CB C 13 19.310 . . 1 . . . A 8 ALA CB . 34067 1 74 . 1 1 8 8 ALA N N 15 124.880 . . 1 . . . A 8 ALA N . 34067 1 75 . 1 1 9 9 VAL H H 1 8.036 . . 1 . . . A 9 VAL H . 34067 1 76 . 1 1 9 9 VAL HA H 1 3.799 . . 1 . . . A 9 VAL HA . 34067 1 77 . 1 1 9 9 VAL HB H 1 1.864 . . 1 . . . A 9 VAL HB . 34067 1 78 . 1 1 9 9 VAL HG11 H 1 0.960 . . 2 . . . A 9 VAL HG11 . 34067 1 79 . 1 1 9 9 VAL HG12 H 1 0.960 . . 2 . . . A 9 VAL HG12 . 34067 1 80 . 1 1 9 9 VAL HG13 H 1 0.960 . . 2 . . . A 9 VAL HG13 . 34067 1 81 . 1 1 9 9 VAL HG21 H 1 0.888 . . 2 . . . A 9 VAL HG21 . 34067 1 82 . 1 1 9 9 VAL HG22 H 1 0.888 . . 2 . . . A 9 VAL HG22 . 34067 1 83 . 1 1 9 9 VAL HG23 H 1 0.888 . . 2 . . . A 9 VAL HG23 . 34067 1 84 . 1 1 9 9 VAL CA C 13 59.888 . . 1 . . . A 9 VAL CA . 34067 1 85 . 1 1 9 9 VAL CB C 13 32.333 . . 1 . . . A 9 VAL CB . 34067 1 86 . 1 1 9 9 VAL CG1 C 13 20.781 . . 1 . . . A 9 VAL CG1 . 34067 1 87 . 1 1 9 9 VAL CG2 C 13 20.948 . . 1 . . . A 9 VAL CG2 . 34067 1 88 . 1 1 9 9 VAL N N 15 119.735 . . 1 . . . A 9 VAL N . 34067 1 89 . 1 1 10 10 PRO HA H 1 3.868 . . 1 . . . A 10 PRO HA . 34067 1 90 . 1 1 10 10 PRO HB2 H 1 1.805 . . 2 . . . A 10 PRO HB2 . 34067 1 91 . 1 1 10 10 PRO HB3 H 1 1.310 . . 2 . . . A 10 PRO HB3 . 34067 1 92 . 1 1 10 10 PRO HG2 H 1 1.137 . . 2 . . . A 10 PRO HG2 . 34067 1 93 . 1 1 10 10 PRO HG3 H 1 1.014 . . 2 . . . A 10 PRO HG3 . 34067 1 94 . 1 1 10 10 PRO HD2 H 1 2.461 . . 2 . . . A 10 PRO HD2 . 34067 1 95 . 1 1 10 10 PRO HD3 H 1 2.100 . . 2 . . . A 10 PRO HD3 . 34067 1 96 . 1 1 10 10 PRO C C 13 176.049 . . 1 . . . A 10 PRO C . 34067 1 97 . 1 1 10 10 PRO CA C 13 62.999 . . 1 . . . A 10 PRO CA . 34067 1 98 . 1 1 10 10 PRO CB C 13 32.249 . . 1 . . . A 10 PRO CB . 34067 1 99 . 1 1 10 10 PRO CG C 13 26.568 . . 1 . . . A 10 PRO CG . 34067 1 100 . 1 1 10 10 PRO CD C 13 49.850 . . 1 . . . A 10 PRO CD . 34067 1 101 . 1 1 11 11 ASP H H 1 8.253 . . 1 . . . A 11 ASP H . 34067 1 102 . 1 1 11 11 ASP HA H 1 4.548 . . 1 . . . A 11 ASP HA . 34067 1 103 . 1 1 11 11 ASP HB2 H 1 2.665 . . 2 . . . A 11 ASP HB2 . 34067 1 104 . 1 1 11 11 ASP HB3 H 1 2.436 . . 2 . . . A 11 ASP HB3 . 34067 1 105 . 1 1 11 11 ASP C C 13 176.912 . . 1 . . . A 11 ASP C . 34067 1 106 . 1 1 11 11 ASP CA C 13 52.531 . . 1 . . . A 11 ASP CA . 34067 1 107 . 1 1 11 11 ASP CB C 13 40.615 . . 1 . . . A 11 ASP CB . 34067 1 108 . 1 1 11 11 ASP N N 15 120.769 . . 1 . . . A 11 ASP N . 34067 1 109 . 1 1 12 12 THR H H 1 8.219 . . 1 . . . A 12 THR H . 34067 1 110 . 1 1 12 12 THR HA H 1 2.470 . . 1 . . . A 12 THR HA . 34067 1 111 . 1 1 12 12 THR HB H 1 3.617 . . 1 . . . A 12 THR HB . 34067 1 112 . 1 1 12 12 THR HG21 H 1 0.590 . . 1 . . . A 12 THR HG21 . 34067 1 113 . 1 1 12 12 THR HG22 H 1 0.590 . . 1 . . . A 12 THR HG22 . 34067 1 114 . 1 1 12 12 THR HG23 H 1 0.590 . . 1 . . . A 12 THR HG23 . 34067 1 115 . 1 1 12 12 THR C C 13 176.412 . . 1 . . . A 12 THR C . 34067 1 116 . 1 1 12 12 THR CA C 13 62.233 . . 1 . . . A 12 THR CA . 34067 1 117 . 1 1 12 12 THR CB C 13 68.189 . . 1 . . . A 12 THR CB . 34067 1 118 . 1 1 12 12 THR CG2 C 13 20.686 . . 1 . . . A 12 THR CG2 . 34067 1 119 . 1 1 12 12 THR N N 15 115.094 . . 1 . . . A 12 THR N . 34067 1 120 . 1 1 13 13 SER H H 1 8.339 . . 1 . . . A 13 SER H . 34067 1 121 . 1 1 13 13 SER HA H 1 4.131 . . 1 . . . A 13 SER HA . 34067 1 122 . 1 1 13 13 SER HB2 H 1 3.863 . . 2 . . . A 13 SER HB2 . 34067 1 123 . 1 1 13 13 SER HB3 H 1 3.896 . . 2 . . . A 13 SER HB3 . 34067 1 124 . 1 1 13 13 SER C C 13 175.578 . . 1 . . . A 13 SER C . 34067 1 125 . 1 1 13 13 SER CA C 13 60.984 . . 1 . . . A 13 SER CA . 34067 1 126 . 1 1 13 13 SER CB C 13 62.920 . . 1 . . . A 13 SER CB . 34067 1 127 . 1 1 13 13 SER N N 15 118.749 . . 1 . . . A 13 SER N . 34067 1 128 . 1 1 14 14 THR H H 1 7.536 . . 1 . . . A 14 THR H . 34067 1 129 . 1 1 14 14 THR HA H 1 4.399 . . 1 . . . A 14 THR HA . 34067 1 130 . 1 1 14 14 THR HB H 1 4.450 . . 1 . . . A 14 THR HB . 34067 1 131 . 1 1 14 14 THR HG21 H 1 1.108 . . 1 . . . A 14 THR HG21 . 34067 1 132 . 1 1 14 14 THR HG22 H 1 1.108 . . 1 . . . A 14 THR HG22 . 34067 1 133 . 1 1 14 14 THR HG23 H 1 1.108 . . 1 . . . A 14 THR HG23 . 34067 1 134 . 1 1 14 14 THR CA C 13 61.607 . . 1 . . . A 14 THR CA . 34067 1 135 . 1 1 14 14 THR CB C 13 69.735 . . 1 . . . A 14 THR CB . 34067 1 136 . 1 1 14 14 THR CG2 C 13 21.515 . . 1 . . . A 14 THR CG2 . 34067 1 137 . 1 1 14 14 THR N N 15 110.557 . . 1 . . . A 14 THR N . 34067 1 138 . 1 1 15 15 TYR H H 1 7.458 . . 1 . . . A 15 TYR H . 34067 1 139 . 1 1 15 15 TYR HA H 1 4.970 . . 1 . . . A 15 TYR HA . 34067 1 140 . 1 1 15 15 TYR HB2 H 1 3.209 . . 2 . . . A 15 TYR HB2 . 34067 1 141 . 1 1 15 15 TYR HB3 H 1 3.214 . . 2 . . . A 15 TYR HB3 . 34067 1 142 . 1 1 15 15 TYR HD1 H 1 6.818 . . 3 . . . A 15 TYR HD1 . 34067 1 143 . 1 1 15 15 TYR HE1 H 1 6.230 . . 3 . . . A 15 TYR HE1 . 34067 1 144 . 1 1 15 15 TYR C C 13 176.310 . . 1 . . . A 15 TYR C . 34067 1 145 . 1 1 15 15 TYR CA C 13 55.260 . . 1 . . . A 15 TYR CA . 34067 1 146 . 1 1 15 15 TYR CB C 13 37.518 . . 1 . . . A 15 TYR CB . 34067 1 147 . 1 1 15 15 TYR CD1 C 13 130.438 . . 3 . . . A 15 TYR CD1 . 34067 1 148 . 1 1 15 15 TYR CE1 C 13 118.616 . . 3 . . . A 15 TYR CE1 . 34067 1 149 . 1 1 15 15 TYR N N 15 121.224 . . 1 . . . A 15 TYR N . 34067 1 150 . 1 1 16 16 GLN H H 1 9.435 . . 1 . . . A 16 GLN H . 34067 1 151 . 1 1 16 16 GLN HA H 1 4.886 . . 1 . . . A 16 GLN HA . 34067 1 152 . 1 1 16 16 GLN HB2 H 1 2.237 . . 2 . . . A 16 GLN HB2 . 34067 1 153 . 1 1 16 16 GLN HB3 H 1 2.230 . . 2 . . . A 16 GLN HB3 . 34067 1 154 . 1 1 16 16 GLN HG2 H 1 2.559 . . 2 . . . A 16 GLN HG2 . 34067 1 155 . 1 1 16 16 GLN HE21 H 1 7.026 . . 2 . . . A 16 GLN HE21 . 34067 1 156 . 1 1 16 16 GLN HE22 H 1 7.751 . . 2 . . . A 16 GLN HE22 . 34067 1 157 . 1 1 16 16 GLN C C 13 175.921 . . 1 . . . A 16 GLN C . 34067 1 158 . 1 1 16 16 GLN CA C 13 54.264 . . 1 . . . A 16 GLN CA . 34067 1 159 . 1 1 16 16 GLN CB C 13 31.010 . . 1 . . . A 16 GLN CB . 34067 1 160 . 1 1 16 16 GLN CG C 13 33.554 . . 1 . . . A 16 GLN CG . 34067 1 161 . 1 1 16 16 GLN CD C 13 180.187 . . 1 . . . A 16 GLN CD . 34067 1 162 . 1 1 16 16 GLN N N 15 120.264 . . 1 . . . A 16 GLN N . 34067 1 163 . 1 1 16 16 GLN NE2 N 15 111.573 . . 1 . . . A 16 GLN NE2 . 34067 1 164 . 1 1 17 17 TYR H H 1 9.480 . . 1 . . . A 17 TYR H . 34067 1 165 . 1 1 17 17 TYR HA H 1 3.943 . . 1 . . . A 17 TYR HA . 34067 1 166 . 1 1 17 17 TYR HB2 H 1 2.782 . . 2 . . . A 17 TYR HB2 . 34067 1 167 . 1 1 17 17 TYR HB3 H 1 2.744 . . 2 . . . A 17 TYR HB3 . 34067 1 168 . 1 1 17 17 TYR HD1 H 1 6.195 . . 3 . . . A 17 TYR HD1 . 34067 1 169 . 1 1 17 17 TYR HD2 H 1 6.197 . . 2 . . . A 17 TYR HD2 . 34067 1 170 . 1 1 17 17 TYR HE1 H 1 6.507 . . 3 . . . A 17 TYR HE1 . 34067 1 171 . 1 1 17 17 TYR C C 13 174.151 . . 1 . . . A 17 TYR C . 34067 1 172 . 1 1 17 17 TYR CA C 13 59.160 . . 1 . . . A 17 TYR CA . 34067 1 173 . 1 1 17 17 TYR CB C 13 38.748 . . 1 . . . A 17 TYR CB . 34067 1 174 . 1 1 17 17 TYR CD1 C 13 132.349 . . 3 . . . A 17 TYR CD1 . 34067 1 175 . 1 1 17 17 TYR CE1 C 13 117.602 . . 3 . . . A 17 TYR CE1 . 34067 1 176 . 1 1 17 17 TYR N N 15 126.828 . . 1 . . . A 17 TYR N . 34067 1 177 . 1 1 18 18 ASP H H 1 8.197 . . 1 . . . A 18 ASP H . 34067 1 178 . 1 1 18 18 ASP HA H 1 4.734 . . 1 . . . A 18 ASP HA . 34067 1 179 . 1 1 18 18 ASP HB2 H 1 2.969 . . 2 . . . A 18 ASP HB2 . 34067 1 180 . 1 1 18 18 ASP HB3 H 1 2.352 . . 2 . . . A 18 ASP HB3 . 34067 1 181 . 1 1 18 18 ASP C C 13 174.096 . . 1 . . . A 18 ASP C . 34067 1 182 . 1 1 18 18 ASP CA C 13 52.283 . . 1 . . . A 18 ASP CA . 34067 1 183 . 1 1 18 18 ASP CB C 13 41.849 . . 1 . . . A 18 ASP CB . 34067 1 184 . 1 1 18 18 ASP N N 15 129.093 . . 1 . . . A 18 ASP N . 34067 1 185 . 1 1 19 19 GLU H H 1 8.768 . . 1 . . . A 19 GLU H . 34067 1 186 . 1 1 19 19 GLU HA H 1 3.617 . . 1 . . . A 19 GLU HA . 34067 1 187 . 1 1 19 19 GLU HB2 H 1 2.004 . . 2 . . . A 19 GLU HB2 . 34067 1 188 . 1 1 19 19 GLU HB3 H 1 1.999 . . 2 . . . A 19 GLU HB3 . 34067 1 189 . 1 1 19 19 GLU HG2 H 1 2.319 . . 2 . . . A 19 GLU HG2 . 34067 1 190 . 1 1 19 19 GLU C C 13 177.941 . . 1 . . . A 19 GLU C . 34067 1 191 . 1 1 19 19 GLU CA C 13 58.639 . . 1 . . . A 19 GLU CA . 34067 1 192 . 1 1 19 19 GLU CB C 13 29.431 . . 1 . . . A 19 GLU CB . 34067 1 193 . 1 1 19 19 GLU CG C 13 36.051 . . 1 . . . A 19 GLU CG . 34067 1 194 . 1 1 19 19 GLU N N 15 125.322 . . 1 . . . A 19 GLU N . 34067 1 195 . 1 1 20 20 SER H H 1 8.207 . . 1 . . . A 20 SER H . 34067 1 196 . 1 1 20 20 SER HA H 1 4.143 . . 1 . . . A 20 SER HA . 34067 1 197 . 1 1 20 20 SER HB2 H 1 3.872 . . 2 . . . A 20 SER HB2 . 34067 1 198 . 1 1 20 20 SER HB3 H 1 3.837 . . 2 . . . A 20 SER HB3 . 34067 1 199 . 1 1 20 20 SER C C 13 175.032 . . 1 . . . A 20 SER C . 34067 1 200 . 1 1 20 20 SER CA C 13 61.028 . . 1 . . . A 20 SER CA . 34067 1 201 . 1 1 20 20 SER CB C 13 62.874 . . 1 . . . A 20 SER CB . 34067 1 202 . 1 1 20 20 SER N N 15 112.748 . . 1 . . . A 20 SER N . 34067 1 203 . 1 1 21 21 SER H H 1 7.456 . . 1 . . . A 21 SER H . 34067 1 204 . 1 1 21 21 SER HA H 1 4.315 . . 1 . . . A 21 SER HA . 34067 1 205 . 1 1 21 21 SER HB2 H 1 3.501 . . 2 . . . A 21 SER HB2 . 34067 1 206 . 1 1 21 21 SER HB3 H 1 3.485 . . 2 . . . A 21 SER HB3 . 34067 1 207 . 1 1 21 21 SER C C 13 175.615 . . 1 . . . A 21 SER C . 34067 1 208 . 1 1 21 21 SER CA C 13 58.808 . . 1 . . . A 21 SER CA . 34067 1 209 . 1 1 21 21 SER CB C 13 65.422 . . 1 . . . A 21 SER CB . 34067 1 210 . 1 1 21 21 SER N N 15 113.278 . . 1 . . . A 21 SER N . 34067 1 211 . 1 1 22 22 GLY H H 1 8.388 . . 1 . . . A 22 GLY H . 34067 1 212 . 1 1 22 22 GLY HA2 H 1 4.056 . . 2 . . . A 22 GLY HA2 . 34067 1 213 . 1 1 22 22 GLY HA3 H 1 3.671 . . 2 . . . A 22 GLY HA3 . 34067 1 214 . 1 1 22 22 GLY C C 13 173.392 . . 1 . . . A 22 GLY C . 34067 1 215 . 1 1 22 22 GLY CA C 13 45.290 . . 1 . . . A 22 GLY CA . 34067 1 216 . 1 1 22 22 GLY N N 15 111.647 . . 1 . . . A 22 GLY N . 34067 1 217 . 1 1 23 23 TYR H H 1 8.006 . . 1 . . . A 23 TYR H . 34067 1 218 . 1 1 23 23 TYR HA H 1 5.155 . . 1 . . . A 23 TYR HA . 34067 1 219 . 1 1 23 23 TYR HB2 H 1 3.452 . . 2 . . . A 23 TYR HB2 . 34067 1 220 . 1 1 23 23 TYR HB3 H 1 3.100 . . 2 . . . A 23 TYR HB3 . 34067 1 221 . 1 1 23 23 TYR HD1 H 1 6.941 . . 3 . . . A 23 TYR HD1 . 34067 1 222 . 1 1 23 23 TYR HE1 H 1 6.559 . . 3 . . . A 23 TYR HE1 . 34067 1 223 . 1 1 23 23 TYR C C 13 175.050 . . 1 . . . A 23 TYR C . 34067 1 224 . 1 1 23 23 TYR CA C 13 55.587 . . 1 . . . A 23 TYR CA . 34067 1 225 . 1 1 23 23 TYR CB C 13 40.225 . . 1 . . . A 23 TYR CB . 34067 1 226 . 1 1 23 23 TYR CD1 C 13 131.681 . . 3 . . . A 23 TYR CD1 . 34067 1 227 . 1 1 23 23 TYR CE1 C 13 117.753 . . 3 . . . A 23 TYR CE1 . 34067 1 228 . 1 1 23 23 TYR N N 15 118.416 . . 1 . . . A 23 TYR N . 34067 1 229 . 1 1 24 24 TYR H H 1 9.365 . . 1 . . . A 24 TYR H . 34067 1 230 . 1 1 24 24 TYR HA H 1 5.257 . . 1 . . . A 24 TYR HA . 34067 1 231 . 1 1 24 24 TYR HB2 H 1 3.352 . . 2 . . . A 24 TYR HB2 . 34067 1 232 . 1 1 24 24 TYR HB3 H 1 3.145 . . 2 . . . A 24 TYR HB3 . 34067 1 233 . 1 1 24 24 TYR HD1 H 1 7.238 . . 3 . . . A 24 TYR HD1 . 34067 1 234 . 1 1 24 24 TYR HD2 H 1 7.234 . . 2 . . . A 24 TYR HD2 . 34067 1 235 . 1 1 24 24 TYR HE1 H 1 6.980 . . 3 . . . A 24 TYR HE1 . 34067 1 236 . 1 1 24 24 TYR C C 13 175.356 . . 1 . . . A 24 TYR C . 34067 1 237 . 1 1 24 24 TYR CA C 13 57.728 . . 1 . . . A 24 TYR CA . 34067 1 238 . 1 1 24 24 TYR CB C 13 41.329 . . 1 . . . A 24 TYR CB . 34067 1 239 . 1 1 24 24 TYR CD1 C 13 132.518 . . 3 . . . A 24 TYR CD1 . 34067 1 240 . 1 1 24 24 TYR CE1 C 13 118.581 . . 3 . . . A 24 TYR CE1 . 34067 1 241 . 1 1 24 24 TYR N N 15 116.532 . . 1 . . . A 24 TYR N . 34067 1 242 . 1 1 25 25 TYR H H 1 9.750 . . 1 . . . A 25 TYR H . 34067 1 243 . 1 1 25 25 TYR HA H 1 4.635 . . 1 . . . A 25 TYR HA . 34067 1 244 . 1 1 25 25 TYR HB2 H 1 2.699 . . 2 . . . A 25 TYR HB2 . 34067 1 245 . 1 1 25 25 TYR HD1 H 1 6.058 . . 3 . . . A 25 TYR HD1 . 34067 1 246 . 1 1 25 25 TYR HD2 H 1 6.086 . . 2 . . . A 25 TYR HD2 . 34067 1 247 . 1 1 25 25 TYR HE1 H 1 6.377 . . 3 . . . A 25 TYR HE1 . 34067 1 248 . 1 1 25 25 TYR C C 13 173.142 . . 1 . . . A 25 TYR C . 34067 1 249 . 1 1 25 25 TYR CA C 13 56.943 . . 1 . . . A 25 TYR CA . 34067 1 250 . 1 1 25 25 TYR CB C 13 41.575 . . 1 . . . A 25 TYR CB . 34067 1 251 . 1 1 25 25 TYR CD1 C 13 132.534 . . 3 . . . A 25 TYR CD1 . 34067 1 252 . 1 1 25 25 TYR CE1 C 13 117.309 . . 3 . . . A 25 TYR CE1 . 34067 1 253 . 1 1 25 25 TYR N N 15 122.990 . . 1 . . . A 25 TYR N . 34067 1 254 . 1 1 26 26 ASP H H 1 7.961 . . 1 . . . A 26 ASP H . 34067 1 255 . 1 1 26 26 ASP HA H 1 4.649 . . 1 . . . A 26 ASP HA . 34067 1 256 . 1 1 26 26 ASP HB2 H 1 2.496 . . 2 . . . A 26 ASP HB2 . 34067 1 257 . 1 1 26 26 ASP HB3 H 1 2.082 . . 2 . . . A 26 ASP HB3 . 34067 1 258 . 1 1 26 26 ASP CA C 13 48.964 . . 1 . . . A 26 ASP CA . 34067 1 259 . 1 1 26 26 ASP CB C 13 41.534 . . 1 . . . A 26 ASP CB . 34067 1 260 . 1 1 26 26 ASP N N 15 126.636 . . 1 . . . A 26 ASP N . 34067 1 261 . 1 1 27 27 PRO HA H 1 3.940 . . 1 . . . A 27 PRO HA . 34067 1 262 . 1 1 27 27 PRO HB2 H 1 2.379 . . 2 . . . A 27 PRO HB2 . 34067 1 263 . 1 1 27 27 PRO HB3 H 1 2.008 . . 2 . . . A 27 PRO HB3 . 34067 1 264 . 1 1 27 27 PRO HG2 H 1 2.072 . . 2 . . . A 27 PRO HG2 . 34067 1 265 . 1 1 27 27 PRO HD2 H 1 4.025 . . 2 . . . A 27 PRO HD2 . 34067 1 266 . 1 1 27 27 PRO HD3 H 1 4.146 . . 2 . . . A 27 PRO HD3 . 34067 1 267 . 1 1 27 27 PRO C C 13 178.209 . . 1 . . . A 27 PRO C . 34067 1 268 . 1 1 27 27 PRO CA C 13 63.714 . . 1 . . . A 27 PRO CA . 34067 1 269 . 1 1 27 27 PRO CB C 13 32.454 . . 1 . . . A 27 PRO CB . 34067 1 270 . 1 1 27 27 PRO CG C 13 27.079 . . 1 . . . A 27 PRO CG . 34067 1 271 . 1 1 27 27 PRO CD C 13 51.067 . . 1 . . . A 27 PRO CD . 34067 1 272 . 1 1 28 28 THR H H 1 8.133 . . 1 . . . A 28 THR H . 34067 1 273 . 1 1 28 28 THR HA H 1 4.057 . . 1 . . . A 28 THR HA . 34067 1 274 . 1 1 28 28 THR HB H 1 4.246 . . 1 . . . A 28 THR HB . 34067 1 275 . 1 1 28 28 THR HG21 H 1 1.212 . . 1 . . . A 28 THR HG21 . 34067 1 276 . 1 1 28 28 THR HG22 H 1 1.212 . . 1 . . . A 28 THR HG22 . 34067 1 277 . 1 1 28 28 THR HG23 H 1 1.212 . . 1 . . . A 28 THR HG23 . 34067 1 278 . 1 1 28 28 THR C C 13 175.828 . . 1 . . . A 28 THR C . 34067 1 279 . 1 1 28 28 THR CA C 13 64.754 . . 1 . . . A 28 THR CA . 34067 1 280 . 1 1 28 28 THR CB C 13 68.415 . . 1 . . . A 28 THR CB . 34067 1 281 . 1 1 28 28 THR CG2 C 13 21.976 . . 1 . . . A 28 THR CG2 . 34067 1 282 . 1 1 28 28 THR N N 15 111.498 . . 1 . . . A 28 THR N . 34067 1 283 . 1 1 29 29 THR H H 1 6.754 . . 1 . . . A 29 THR H . 34067 1 284 . 1 1 29 29 THR HA H 1 4.244 . . 1 . . . A 29 THR HA . 34067 1 285 . 1 1 29 29 THR HB H 1 3.807 . . 1 . . . A 29 THR HB . 34067 1 286 . 1 1 29 29 THR HG21 H 1 1.031 . . 1 . . . A 29 THR HG21 . 34067 1 287 . 1 1 29 29 THR HG22 H 1 1.031 . . 1 . . . A 29 THR HG22 . 34067 1 288 . 1 1 29 29 THR HG23 H 1 1.031 . . 1 . . . A 29 THR HG23 . 34067 1 289 . 1 1 29 29 THR C C 13 176.310 . . 1 . . . A 29 THR C . 34067 1 290 . 1 1 29 29 THR CA C 13 61.610 . . 1 . . . A 29 THR CA . 34067 1 291 . 1 1 29 29 THR CB C 13 71.250 . . 1 . . . A 29 THR CB . 34067 1 292 . 1 1 29 29 THR CG2 C 13 21.018 . . 1 . . . A 29 THR CG2 . 34067 1 293 . 1 1 29 29 THR N N 15 108.360 . . 1 . . . A 29 THR N . 34067 1 294 . 1 1 30 30 GLY H H 1 8.455 . . 1 . . . A 30 GLY H . 34067 1 295 . 1 1 30 30 GLY HA2 H 1 4.006 . . 2 . . . A 30 GLY HA2 . 34067 1 296 . 1 1 30 30 GLY HA3 H 1 3.529 . . 2 . . . A 30 GLY HA3 . 34067 1 297 . 1 1 30 30 GLY C C 13 173.457 . . 1 . . . A 30 GLY C . 34067 1 298 . 1 1 30 30 GLY CA C 13 44.903 . . 1 . . . A 30 GLY CA . 34067 1 299 . 1 1 30 30 GLY N N 15 111.359 . . 1 . . . A 30 GLY N . 34067 1 300 . 1 1 31 31 LEU H H 1 7.545 . . 1 . . . A 31 LEU H . 34067 1 301 . 1 1 31 31 LEU HA H 1 4.548 . . 1 . . . A 31 LEU HA . 34067 1 302 . 1 1 31 31 LEU HB2 H 1 1.684 . . 2 . . . A 31 LEU HB2 . 34067 1 303 . 1 1 31 31 LEU HB3 H 1 1.406 . . 2 . . . A 31 LEU HB3 . 34067 1 304 . 1 1 31 31 LEU HG H 1 1.172 . . 1 . . . A 31 LEU HG . 34067 1 305 . 1 1 31 31 LEU HD11 H 1 0.588 . . 2 . . . A 31 LEU HD11 . 34067 1 306 . 1 1 31 31 LEU HD12 H 1 0.588 . . 2 . . . A 31 LEU HD12 . 34067 1 307 . 1 1 31 31 LEU HD13 H 1 0.588 . . 2 . . . A 31 LEU HD13 . 34067 1 308 . 1 1 31 31 LEU HD21 H 1 -0.079 . . 2 . . . A 31 LEU HD21 . 34067 1 309 . 1 1 31 31 LEU HD22 H 1 -0.079 . . 2 . . . A 31 LEU HD22 . 34067 1 310 . 1 1 31 31 LEU HD23 H 1 -0.079 . . 2 . . . A 31 LEU HD23 . 34067 1 311 . 1 1 31 31 LEU C C 13 175.384 . . 1 . . . A 31 LEU C . 34067 1 312 . 1 1 31 31 LEU CA C 13 53.908 . . 1 . . . A 31 LEU CA . 34067 1 313 . 1 1 31 31 LEU CB C 13 44.129 . . 1 . . . A 31 LEU CB . 34067 1 314 . 1 1 31 31 LEU CG C 13 26.723 . . 1 . . . A 31 LEU CG . 34067 1 315 . 1 1 31 31 LEU CD1 C 13 22.874 . . 1 . . . A 31 LEU CD1 . 34067 1 316 . 1 1 31 31 LEU CD2 C 13 23.732 . . 1 . . . A 31 LEU CD2 . 34067 1 317 . 1 1 31 31 LEU N N 15 119.267 . . 1 . . . A 31 LEU N . 34067 1 318 . 1 1 32 32 TYR H H 1 8.758 . . 1 . . . A 32 TYR H . 34067 1 319 . 1 1 32 32 TYR HA H 1 5.490 . . 1 . . . A 32 TYR HA . 34067 1 320 . 1 1 32 32 TYR HB2 H 1 3.103 . . 2 . . . A 32 TYR HB2 . 34067 1 321 . 1 1 32 32 TYR HB3 H 1 3.060 . . 2 . . . A 32 TYR HB3 . 34067 1 322 . 1 1 32 32 TYR HD1 H 1 7.278 . . 3 . . . A 32 TYR HD1 . 34067 1 323 . 1 1 32 32 TYR HE1 H 1 6.792 . . 3 . . . A 32 TYR HE1 . 34067 1 324 . 1 1 32 32 TYR C C 13 175.810 . . 1 . . . A 32 TYR C . 34067 1 325 . 1 1 32 32 TYR CA C 13 57.189 . . 1 . . . A 32 TYR CA . 34067 1 326 . 1 1 32 32 TYR CB C 13 41.325 . . 1 . . . A 32 TYR CB . 34067 1 327 . 1 1 32 32 TYR CD1 C 13 133.137 . . 3 . . . A 32 TYR CD1 . 34067 1 328 . 1 1 32 32 TYR CE1 C 13 118.173 . . 3 . . . A 32 TYR CE1 . 34067 1 329 . 1 1 32 32 TYR N N 15 116.497 . . 1 . . . A 32 TYR N . 34067 1 330 . 1 1 33 33 TYR H H 1 9.865 . . 1 . . . A 33 TYR H . 34067 1 331 . 1 1 33 33 TYR HA H 1 4.873 . . 1 . . . A 33 TYR HA . 34067 1 332 . 1 1 33 33 TYR HB2 H 1 2.667 . . 2 . . . A 33 TYR HB2 . 34067 1 333 . 1 1 33 33 TYR HB3 H 1 2.465 . . 2 . . . A 33 TYR HB3 . 34067 1 334 . 1 1 33 33 TYR HD1 H 1 5.964 . . 3 . . . A 33 TYR HD1 . 34067 1 335 . 1 1 33 33 TYR HE1 H 1 6.367 . . 3 . . . A 33 TYR HE1 . 34067 1 336 . 1 1 33 33 TYR C C 13 173.337 . . 1 . . . A 33 TYR C . 34067 1 337 . 1 1 33 33 TYR CA C 13 56.938 . . 1 . . . A 33 TYR CA . 34067 1 338 . 1 1 33 33 TYR CB C 13 42.441 . . 1 . . . A 33 TYR CB . 34067 1 339 . 1 1 33 33 TYR CD1 C 13 132.502 . . 3 . . . A 33 TYR CD1 . 34067 1 340 . 1 1 33 33 TYR CE1 C 13 117.140 . . 3 . . . A 33 TYR CE1 . 34067 1 341 . 1 1 33 33 TYR N N 15 121.602 . . 1 . . . A 33 TYR N . 34067 1 342 . 1 1 34 34 ASP H H 1 8.136 . . 1 . . . A 34 ASP H . 34067 1 343 . 1 1 34 34 ASP HA H 1 4.953 . . 1 . . . A 34 ASP HA . 34067 1 344 . 1 1 34 34 ASP HB2 H 1 2.790 . . 2 . . . A 34 ASP HB2 . 34067 1 345 . 1 1 34 34 ASP HB3 H 1 2.030 . . 2 . . . A 34 ASP HB3 . 34067 1 346 . 1 1 34 34 ASP CA C 13 49.123 . . 1 . . . A 34 ASP CA . 34067 1 347 . 1 1 34 34 ASP CB C 13 42.432 . . 1 . . . A 34 ASP CB . 34067 1 348 . 1 1 34 34 ASP N N 15 127.424 . . 1 . . . A 34 ASP N . 34067 1 349 . 1 1 35 35 PRO HA H 1 3.943 . . 1 . . . A 35 PRO HA . 34067 1 350 . 1 1 35 35 PRO HB2 H 1 2.288 . . 2 . . . A 35 PRO HB2 . 34067 1 351 . 1 1 35 35 PRO HB3 H 1 2.069 . . 2 . . . A 35 PRO HB3 . 34067 1 352 . 1 1 35 35 PRO HG2 H 1 2.112 . . 2 . . . A 35 PRO HG2 . 34067 1 353 . 1 1 35 35 PRO HD2 H 1 4.315 . . 2 . . . A 35 PRO HD2 . 34067 1 354 . 1 1 35 35 PRO HD3 H 1 4.077 . . 2 . . . A 35 PRO HD3 . 34067 1 355 . 1 1 35 35 PRO C C 13 177.302 . . 1 . . . A 35 PRO C . 34067 1 356 . 1 1 35 35 PRO CA C 13 63.727 . . 1 . . . A 35 PRO CA . 34067 1 357 . 1 1 35 35 PRO CB C 13 32.329 . . 1 . . . A 35 PRO CB . 34067 1 358 . 1 1 35 35 PRO CG C 13 27.267 . . 1 . . . A 35 PRO CG . 34067 1 359 . 1 1 35 35 PRO CD C 13 51.201 . . 1 . . . A 35 PRO CD . 34067 1 360 . 1 1 36 36 ASN H H 1 8.105 . . 1 . . . A 36 ASN H . 34067 1 361 . 1 1 36 36 ASN HA H 1 4.515 . . 1 . . . A 36 ASN HA . 34067 1 362 . 1 1 36 36 ASN HB2 H 1 2.999 . . 2 . . . A 36 ASN HB2 . 34067 1 363 . 1 1 36 36 ASN HB3 H 1 2.808 . . 2 . . . A 36 ASN HB3 . 34067 1 364 . 1 1 36 36 ASN HD21 H 1 7.241 . . 2 . . . A 36 ASN HD21 . 34067 1 365 . 1 1 36 36 ASN HD22 H 1 8.116 . . 2 . . . A 36 ASN HD22 . 34067 1 366 . 1 1 36 36 ASN C C 13 175.504 . . 1 . . . A 36 ASN C . 34067 1 367 . 1 1 36 36 ASN CA C 13 55.695 . . 1 . . . A 36 ASN CA . 34067 1 368 . 1 1 36 36 ASN CB C 13 38.516 . . 1 . . . A 36 ASN CB . 34067 1 369 . 1 1 36 36 ASN N N 15 115.897 . . 1 . . . A 36 ASN N . 34067 1 370 . 1 1 36 36 ASN ND2 N 15 115.450 . . 1 . . . A 36 ASN ND2 . 34067 1 371 . 1 1 37 37 SER H H 1 7.403 . . 1 . . . A 37 SER H . 34067 1 372 . 1 1 37 37 SER HA H 1 4.198 . . 1 . . . A 37 SER HA . 34067 1 373 . 1 1 37 37 SER HB2 H 1 3.699 . . 2 . . . A 37 SER HB2 . 34067 1 374 . 1 1 37 37 SER HB3 H 1 3.674 . . 2 . . . A 37 SER HB3 . 34067 1 375 . 1 1 37 37 SER C C 13 174.550 . . 1 . . . A 37 SER C . 34067 1 376 . 1 1 37 37 SER CA C 13 59.173 . . 1 . . . A 37 SER CA . 34067 1 377 . 1 1 37 37 SER CB C 13 64.350 . . 1 . . . A 37 SER CB . 34067 1 378 . 1 1 37 37 SER N N 15 112.833 . . 1 . . . A 37 SER N . 34067 1 379 . 1 1 38 38 GLN H H 1 8.180 . . 1 . . . A 38 GLN H . 34067 1 380 . 1 1 38 38 GLN HA H 1 3.667 . . 1 . . . A 38 GLN HA . 34067 1 381 . 1 1 38 38 GLN HB2 H 1 2.437 . . 2 . . . A 38 GLN HB2 . 34067 1 382 . 1 1 38 38 GLN HB3 H 1 2.467 . . 2 . . . A 38 GLN HB3 . 34067 1 383 . 1 1 38 38 GLN HG2 H 1 2.240 . . 2 . . . A 38 GLN HG2 . 34067 1 384 . 1 1 38 38 GLN HG3 H 1 2.106 . . 2 . . . A 38 GLN HG3 . 34067 1 385 . 1 1 38 38 GLN HE21 H 1 6.866 . . 2 . . . A 38 GLN HE21 . 34067 1 386 . 1 1 38 38 GLN HE22 H 1 7.549 . . 2 . . . A 38 GLN HE22 . 34067 1 387 . 1 1 38 38 GLN C C 13 174.235 . . 1 . . . A 38 GLN C . 34067 1 388 . 1 1 38 38 GLN CA C 13 57.972 . . 1 . . . A 38 GLN CA . 34067 1 389 . 1 1 38 38 GLN CB C 13 25.694 . . 1 . . . A 38 GLN CB . 34067 1 390 . 1 1 38 38 GLN CG C 13 34.546 . . 1 . . . A 38 GLN CG . 34067 1 391 . 1 1 38 38 GLN CD C 13 181.474 . . 1 . . . A 38 GLN CD . 34067 1 392 . 1 1 38 38 GLN N N 15 114.370 . . 1 . . . A 38 GLN N . 34067 1 393 . 1 1 38 38 GLN NE2 N 15 111.988 . . 1 . . . A 38 GLN NE2 . 34067 1 394 . 1 1 39 39 TYR H H 1 7.648 . . 1 . . . A 39 TYR H . 34067 1 395 . 1 1 39 39 TYR HA H 1 5.331 . . 1 . . . A 39 TYR HA . 34067 1 396 . 1 1 39 39 TYR HB2 H 1 3.576 . . 2 . . . A 39 TYR HB2 . 34067 1 397 . 1 1 39 39 TYR HB3 H 1 3.041 . . 2 . . . A 39 TYR HB3 . 34067 1 398 . 1 1 39 39 TYR HD1 H 1 7.214 . . 3 . . . A 39 TYR HD1 . 34067 1 399 . 1 1 39 39 TYR HE1 H 1 6.741 . . 3 . . . A 39 TYR HE1 . 34067 1 400 . 1 1 39 39 TYR C C 13 175.745 . . 1 . . . A 39 TYR C . 34067 1 401 . 1 1 39 39 TYR CA C 13 57.333 . . 1 . . . A 39 TYR CA . 34067 1 402 . 1 1 39 39 TYR CB C 13 40.479 . . 1 . . . A 39 TYR CB . 34067 1 403 . 1 1 39 39 TYR CD1 C 13 132.709 . . 3 . . . A 39 TYR CD1 . 34067 1 404 . 1 1 39 39 TYR CE1 C 13 117.562 . . 3 . . . A 39 TYR CE1 . 34067 1 405 . 1 1 39 39 TYR N N 15 115.513 . . 1 . . . A 39 TYR N . 34067 1 406 . 1 1 40 40 TYR H H 1 9.784 . . 1 . . . A 40 TYR H . 34067 1 407 . 1 1 40 40 TYR HA H 1 5.648 . . 1 . . . A 40 TYR HA . 34067 1 408 . 1 1 40 40 TYR HB2 H 1 2.897 . . 2 . . . A 40 TYR HB2 . 34067 1 409 . 1 1 40 40 TYR HB3 H 1 2.942 . . 2 . . . A 40 TYR HB3 . 34067 1 410 . 1 1 40 40 TYR HD1 H 1 7.240 . . 3 . . . A 40 TYR HD1 . 34067 1 411 . 1 1 40 40 TYR HE1 H 1 6.876 . . 3 . . . A 40 TYR HE1 . 34067 1 412 . 1 1 40 40 TYR C C 13 175.801 . . 1 . . . A 40 TYR C . 34067 1 413 . 1 1 40 40 TYR CA C 13 57.072 . . 1 . . . A 40 TYR CA . 34067 1 414 . 1 1 40 40 TYR CB C 13 41.587 . . 1 . . . A 40 TYR CB . 34067 1 415 . 1 1 40 40 TYR CD1 C 13 133.371 . . 3 . . . A 40 TYR CD1 . 34067 1 416 . 1 1 40 40 TYR CE1 C 13 117.980 . . 3 . . . A 40 TYR CE1 . 34067 1 417 . 1 1 40 40 TYR N N 15 118.357 . . 1 . . . A 40 TYR N . 34067 1 418 . 1 1 41 41 TYR H H 1 9.623 . . 1 . . . A 41 TYR H . 34067 1 419 . 1 1 41 41 TYR HA H 1 5.058 . . 1 . . . A 41 TYR HA . 34067 1 420 . 1 1 41 41 TYR HB2 H 1 2.669 . . 2 . . . A 41 TYR HB2 . 34067 1 421 . 1 1 41 41 TYR HB3 H 1 2.469 . . 2 . . . A 41 TYR HB3 . 34067 1 422 . 1 1 41 41 TYR HD1 H 1 5.834 . . 3 . . . A 41 TYR HD1 . 34067 1 423 . 1 1 41 41 TYR HD2 H 1 5.899 . . 2 . . . A 41 TYR HD2 . 34067 1 424 . 1 1 41 41 TYR HE1 H 1 6.139 . . 3 . . . A 41 TYR HE1 . 34067 1 425 . 1 1 41 41 TYR C C 13 173.617 . . 1 . . . A 41 TYR C . 34067 1 426 . 1 1 41 41 TYR CA C 13 56.721 . . 1 . . . A 41 TYR CA . 34067 1 427 . 1 1 41 41 TYR CB C 13 42.205 . . 1 . . . A 41 TYR CB . 34067 1 428 . 1 1 41 41 TYR CD1 C 13 132.505 . . 3 . . . A 41 TYR CD1 . 34067 1 429 . 1 1 41 41 TYR CE1 C 13 116.693 . . 3 . . . A 41 TYR CE1 . 34067 1 430 . 1 1 41 41 TYR N N 15 121.526 . . 1 . . . A 41 TYR N . 34067 1 431 . 1 1 42 42 ASN H H 1 8.247 . . 1 . . . A 42 ASN H . 34067 1 432 . 1 1 42 42 ASN HA H 1 4.824 . . 1 . . . A 42 ASN HA . 34067 1 433 . 1 1 42 42 ASN HB2 H 1 3.063 . . 2 . . . A 42 ASN HB2 . 34067 1 434 . 1 1 42 42 ASN HB3 H 1 2.036 . . 2 . . . A 42 ASN HB3 . 34067 1 435 . 1 1 42 42 ASN HD21 H 1 7.256 . . 2 . . . A 42 ASN HD21 . 34067 1 436 . 1 1 42 42 ASN HD22 H 1 7.318 . . 2 . . . A 42 ASN HD22 . 34067 1 437 . 1 1 42 42 ASN C C 13 175.180 . . 1 . . . A 42 ASN C . 34067 1 438 . 1 1 42 42 ASN CA C 13 50.904 . . 1 . . . A 42 ASN CA . 34067 1 439 . 1 1 42 42 ASN CB C 13 39.141 . . 1 . . . A 42 ASN CB . 34067 1 440 . 1 1 42 42 ASN CG C 13 177.496 . . 1 . . . A 42 ASN CG . 34067 1 441 . 1 1 42 42 ASN N N 15 125.860 . . 1 . . . A 42 ASN N . 34067 1 442 . 1 1 42 42 ASN ND2 N 15 113.477 . . 1 . . . A 42 ASN ND2 . 34067 1 443 . 1 1 43 43 SER H H 1 9.110 . . 1 . . . A 43 SER H . 34067 1 444 . 1 1 43 43 SER HA H 1 3.806 . . 1 . . . A 43 SER HA . 34067 1 445 . 1 1 43 43 SER HB2 H 1 4.075 . . 2 . . . A 43 SER HB2 . 34067 1 446 . 1 1 43 43 SER HB3 H 1 3.828 . . 2 . . . A 43 SER HB3 . 34067 1 447 . 1 1 43 43 SER C C 13 175.180 . . 1 . . . A 43 SER C . 34067 1 448 . 1 1 43 43 SER CA C 13 60.169 . . 1 . . . A 43 SER CA . 34067 1 449 . 1 1 43 43 SER CB C 13 63.583 . . 1 . . . A 43 SER CB . 34067 1 450 . 1 1 43 43 SER N N 15 119.635 . . 1 . . . A 43 SER N . 34067 1 451 . 1 1 44 44 LEU H H 1 8.312 . . 1 . . . A 44 LEU H . 34067 1 452 . 1 1 44 44 LEU HA H 1 4.295 . . 1 . . . A 44 LEU HA . 34067 1 453 . 1 1 44 44 LEU HB2 H 1 1.832 . . 2 . . . A 44 LEU HB2 . 34067 1 454 . 1 1 44 44 LEU HB3 H 1 1.635 . . 2 . . . A 44 LEU HB3 . 34067 1 455 . 1 1 44 44 LEU HG H 1 1.613 . . 1 . . . A 44 LEU HG . 34067 1 456 . 1 1 44 44 LEU HD11 H 1 0.899 . . 2 . . . A 44 LEU HD11 . 34067 1 457 . 1 1 44 44 LEU HD12 H 1 0.899 . . 2 . . . A 44 LEU HD12 . 34067 1 458 . 1 1 44 44 LEU HD13 H 1 0.899 . . 2 . . . A 44 LEU HD13 . 34067 1 459 . 1 1 44 44 LEU HD21 H 1 0.854 . . 2 . . . A 44 LEU HD21 . 34067 1 460 . 1 1 44 44 LEU HD22 H 1 0.854 . . 2 . . . A 44 LEU HD22 . 34067 1 461 . 1 1 44 44 LEU HD23 H 1 0.854 . . 2 . . . A 44 LEU HD23 . 34067 1 462 . 1 1 44 44 LEU C C 13 178.821 . . 1 . . . A 44 LEU C . 34067 1 463 . 1 1 44 44 LEU CA C 13 57.012 . . 1 . . . A 44 LEU CA . 34067 1 464 . 1 1 44 44 LEU CB C 13 41.721 . . 1 . . . A 44 LEU CB . 34067 1 465 . 1 1 44 44 LEU CG C 13 27.311 . . 1 . . . A 44 LEU CG . 34067 1 466 . 1 1 44 44 LEU CD1 C 13 24.448 . . 1 . . . A 44 LEU CD1 . 34067 1 467 . 1 1 44 44 LEU CD2 C 13 23.788 . . 1 . . . A 44 LEU CD2 . 34067 1 468 . 1 1 44 44 LEU N N 15 122.318 . . 1 . . . A 44 LEU N . 34067 1 469 . 1 1 45 45 THR H H 1 7.183 . . 1 . . . A 45 THR H . 34067 1 470 . 1 1 45 45 THR HA H 1 4.159 . . 1 . . . A 45 THR HA . 34067 1 471 . 1 1 45 45 THR HB H 1 4.191 . . 1 . . . A 45 THR HB . 34067 1 472 . 1 1 45 45 THR HG21 H 1 0.998 . . 1 . . . A 45 THR HG21 . 34067 1 473 . 1 1 45 45 THR HG22 H 1 0.998 . . 1 . . . A 45 THR HG22 . 34067 1 474 . 1 1 45 45 THR HG23 H 1 0.998 . . 1 . . . A 45 THR HG23 . 34067 1 475 . 1 1 45 45 THR C C 13 175.300 . . 1 . . . A 45 THR C . 34067 1 476 . 1 1 45 45 THR CA C 13 60.894 . . 1 . . . A 45 THR CA . 34067 1 477 . 1 1 45 45 THR CB C 13 69.172 . . 1 . . . A 45 THR CB . 34067 1 478 . 1 1 45 45 THR CG2 C 13 21.680 . . 1 . . . A 45 THR CG2 . 34067 1 479 . 1 1 45 45 THR N N 15 107.043 . . 1 . . . A 45 THR N . 34067 1 480 . 1 1 46 46 GLN H H 1 7.998 . . 1 . . . A 46 GLN H . 34067 1 481 . 1 1 46 46 GLN HA H 1 3.552 . . 1 . . . A 46 GLN HA . 34067 1 482 . 1 1 46 46 GLN HB2 H 1 2.354 . . 2 . . . A 46 GLN HB2 . 34067 1 483 . 1 1 46 46 GLN HB3 H 1 2.193 . . 2 . . . A 46 GLN HB3 . 34067 1 484 . 1 1 46 46 GLN HG2 H 1 2.189 . . 2 . . . A 46 GLN HG2 . 34067 1 485 . 1 1 46 46 GLN HG3 H 1 2.084 . . 2 . . . A 46 GLN HG3 . 34067 1 486 . 1 1 46 46 GLN HE21 H 1 6.821 . . 2 . . . A 46 GLN HE21 . 34067 1 487 . 1 1 46 46 GLN HE22 H 1 7.511 . . 2 . . . A 46 GLN HE22 . 34067 1 488 . 1 1 46 46 GLN C C 13 174.207 . . 1 . . . A 46 GLN C . 34067 1 489 . 1 1 46 46 GLN CA C 13 56.969 . . 1 . . . A 46 GLN CA . 34067 1 490 . 1 1 46 46 GLN CB C 13 25.554 . . 1 . . . A 46 GLN CB . 34067 1 491 . 1 1 46 46 GLN CG C 13 34.316 . . 1 . . . A 46 GLN CG . 34067 1 492 . 1 1 46 46 GLN N N 15 116.860 . . 1 . . . A 46 GLN N . 34067 1 493 . 1 1 46 46 GLN NE2 N 15 112.025 . . 1 . . . A 46 GLN NE2 . 34067 1 494 . 1 1 47 47 GLN H H 1 7.040 . . 1 . . . A 47 GLN H . 34067 1 495 . 1 1 47 47 GLN HA H 1 4.628 . . 1 . . . A 47 GLN HA . 34067 1 496 . 1 1 47 47 GLN HB2 H 1 1.901 . . 2 . . . A 47 GLN HB2 . 34067 1 497 . 1 1 47 47 GLN HB3 H 1 1.627 . . 2 . . . A 47 GLN HB3 . 34067 1 498 . 1 1 47 47 GLN HG2 H 1 2.274 . . 2 . . . A 47 GLN HG2 . 34067 1 499 . 1 1 47 47 GLN HE21 H 1 7.093 . . 2 . . . A 47 GLN HE21 . 34067 1 500 . 1 1 47 47 GLN HE22 H 1 7.888 . . 2 . . . A 47 GLN HE22 . 34067 1 501 . 1 1 47 47 GLN C C 13 174.380 . . 1 . . . A 47 GLN C . 34067 1 502 . 1 1 47 47 GLN CA C 13 54.400 . . 1 . . . A 47 GLN CA . 34067 1 503 . 1 1 47 47 GLN CB C 13 32.985 . . 1 . . . A 47 GLN CB . 34067 1 504 . 1 1 47 47 GLN CG C 13 33.976 . . 1 . . . A 47 GLN CG . 34067 1 505 . 1 1 47 47 GLN CD C 13 181.029 . . 1 . . . A 47 GLN CD . 34067 1 506 . 1 1 47 47 GLN N N 15 115.821 . . 1 . . . A 47 GLN N . 34067 1 507 . 1 1 47 47 GLN NE2 N 15 113.295 . . 1 . . . A 47 GLN NE2 . 34067 1 508 . 1 1 48 48 TYR H H 1 8.870 . . 1 . . . A 48 TYR H . 34067 1 509 . 1 1 48 48 TYR HA H 1 5.582 . . 1 . . . A 48 TYR HA . 34067 1 510 . 1 1 48 48 TYR HB2 H 1 2.758 . . 2 . . . A 48 TYR HB2 . 34067 1 511 . 1 1 48 48 TYR HB3 H 1 2.724 . . 2 . . . A 48 TYR HB3 . 34067 1 512 . 1 1 48 48 TYR HD1 H 1 7.237 . . 3 . . . A 48 TYR HD1 . 34067 1 513 . 1 1 48 48 TYR HD2 H 1 7.182 . . 2 . . . A 48 TYR HD2 . 34067 1 514 . 1 1 48 48 TYR HE1 H 1 6.646 . . 3 . . . A 48 TYR HE1 . 34067 1 515 . 1 1 48 48 TYR C C 13 176.597 . . 1 . . . A 48 TYR C . 34067 1 516 . 1 1 48 48 TYR CA C 13 57.959 . . 1 . . . A 48 TYR CA . 34067 1 517 . 1 1 48 48 TYR CB C 13 39.863 . . 1 . . . A 48 TYR CB . 34067 1 518 . 1 1 48 48 TYR CD1 C 13 133.569 . . 3 . . . A 48 TYR CD1 . 34067 1 519 . 1 1 48 48 TYR CE1 C 13 117.955 . . 3 . . . A 48 TYR CE1 . 34067 1 520 . 1 1 48 48 TYR N N 15 120.880 . . 1 . . . A 48 TYR N . 34067 1 521 . 1 1 49 49 LEU H H 1 9.699 . . 1 . . . A 49 LEU H . 34067 1 522 . 1 1 49 49 LEU HA H 1 5.477 . . 1 . . . A 49 LEU HA . 34067 1 523 . 1 1 49 49 LEU HB2 H 1 1.592 . . 2 . . . A 49 LEU HB2 . 34067 1 524 . 1 1 49 49 LEU HB3 H 1 1.472 . . 2 . . . A 49 LEU HB3 . 34067 1 525 . 1 1 49 49 LEU HG H 1 1.464 . . 1 . . . A 49 LEU HG . 34067 1 526 . 1 1 49 49 LEU HD11 H 1 0.634 . . 2 . . . A 49 LEU HD11 . 34067 1 527 . 1 1 49 49 LEU HD12 H 1 0.634 . . 2 . . . A 49 LEU HD12 . 34067 1 528 . 1 1 49 49 LEU HD13 H 1 0.634 . . 2 . . . A 49 LEU HD13 . 34067 1 529 . 1 1 49 49 LEU HD21 H 1 0.680 . . 2 . . . A 49 LEU HD21 . 34067 1 530 . 1 1 49 49 LEU HD22 H 1 0.680 . . 2 . . . A 49 LEU HD22 . 34067 1 531 . 1 1 49 49 LEU HD23 H 1 0.680 . . 2 . . . A 49 LEU HD23 . 34067 1 532 . 1 1 49 49 LEU C C 13 175.189 . . 1 . . . A 49 LEU C . 34067 1 533 . 1 1 49 49 LEU CA C 13 54.165 . . 1 . . . A 49 LEU CA . 34067 1 534 . 1 1 49 49 LEU CB C 13 47.863 . . 1 . . . A 49 LEU CB . 34067 1 535 . 1 1 49 49 LEU CG C 13 27.182 . . 1 . . . A 49 LEU CG . 34067 1 536 . 1 1 49 49 LEU CD1 C 13 24.627 . . 1 . . . A 49 LEU CD1 . 34067 1 537 . 1 1 49 49 LEU CD2 C 13 27.166 . . 1 . . . A 49 LEU CD2 . 34067 1 538 . 1 1 49 49 LEU N N 15 122.078 . . 1 . . . A 49 LEU N . 34067 1 539 . 1 1 50 50 TYR H H 1 9.485 . . 1 . . . A 50 TYR H . 34067 1 540 . 1 1 50 50 TYR HA H 1 5.741 . . 1 . . . A 50 TYR HA . 34067 1 541 . 1 1 50 50 TYR HB2 H 1 3.301 . . 2 . . . A 50 TYR HB2 . 34067 1 542 . 1 1 50 50 TYR HB3 H 1 3.056 . . 2 . . . A 50 TYR HB3 . 34067 1 543 . 1 1 50 50 TYR HD1 H 1 6.998 . . 3 . . . A 50 TYR HD1 . 34067 1 544 . 1 1 50 50 TYR HE1 H 1 6.766 . . 3 . . . A 50 TYR HE1 . 34067 1 545 . 1 1 50 50 TYR C C 13 174.235 . . 1 . . . A 50 TYR C . 34067 1 546 . 1 1 50 50 TYR CA C 13 55.576 . . 1 . . . A 50 TYR CA . 34067 1 547 . 1 1 50 50 TYR CB C 13 41.712 . . 1 . . . A 50 TYR CB . 34067 1 548 . 1 1 50 50 TYR CD1 C 13 133.588 . . 3 . . . A 50 TYR CD1 . 34067 1 549 . 1 1 50 50 TYR CE1 C 13 117.896 . . 3 . . . A 50 TYR CE1 . 34067 1 550 . 1 1 50 50 TYR N N 15 117.688 . . 1 . . . A 50 TYR N . 34067 1 551 . 1 1 51 51 TRP H H 1 9.350 . . 1 . . . A 51 TRP H . 34067 1 552 . 1 1 51 51 TRP HA H 1 4.353 . . 1 . . . A 51 TRP HA . 34067 1 553 . 1 1 51 51 TRP HB2 H 1 3.208 . . 2 . . . A 51 TRP HB2 . 34067 1 554 . 1 1 51 51 TRP HB3 H 1 2.852 . . 2 . . . A 51 TRP HB3 . 34067 1 555 . 1 1 51 51 TRP HD1 H 1 6.911 . . 1 . . . A 51 TRP HD1 . 34067 1 556 . 1 1 51 51 TRP HE1 H 1 10.215 . . 3 . . . A 51 TRP HE1 . 34067 1 557 . 1 1 51 51 TRP HE3 H 1 5.364 . . 3 . . . A 51 TRP HE3 . 34067 1 558 . 1 1 51 51 TRP HZ2 H 1 7.125 . . 3 . . . A 51 TRP HZ2 . 34067 1 559 . 1 1 51 51 TRP HZ3 H 1 6.134 . . 3 . . . A 51 TRP HZ3 . 34067 1 560 . 1 1 51 51 TRP HH2 H 1 6.686 . . 1 . . . A 51 TRP HH2 . 34067 1 561 . 1 1 51 51 TRP C C 13 174.064 . . 1 . . . A 51 TRP C . 34067 1 562 . 1 1 51 51 TRP CA C 13 56.851 . . 1 . . . A 51 TRP CA . 34067 1 563 . 1 1 51 51 TRP CB C 13 29.997 . . 1 . . . A 51 TRP CB . 34067 1 564 . 1 1 51 51 TRP CD1 C 13 126.626 . . 3 . . . A 51 TRP CD1 . 34067 1 565 . 1 1 51 51 TRP CE3 C 13 121.127 . . 3 . . . A 51 TRP CE3 . 34067 1 566 . 1 1 51 51 TRP CZ2 C 13 112.522 . . 3 . . . A 51 TRP CZ2 . 34067 1 567 . 1 1 51 51 TRP CZ3 C 13 121.135 . . 3 . . . A 51 TRP CZ3 . 34067 1 568 . 1 1 51 51 TRP CH2 C 13 123.881 . . 1 . . . A 51 TRP CH2 . 34067 1 569 . 1 1 51 51 TRP N N 15 122.362 . . 1 . . . A 51 TRP N . 34067 1 570 . 1 1 51 51 TRP NE1 N 15 127.845 . . 1 . . . A 51 TRP NE1 . 34067 1 571 . 1 1 52 52 ASP H H 1 7.994 . . 1 . . . A 52 ASP H . 34067 1 572 . 1 1 52 52 ASP HA H 1 4.570 . . 1 . . . A 52 ASP HA . 34067 1 573 . 1 1 52 52 ASP HB2 H 1 2.529 . . 2 . . . A 52 ASP HB2 . 34067 1 574 . 1 1 52 52 ASP HB3 H 1 2.126 . . 2 . . . A 52 ASP HB3 . 34067 1 575 . 1 1 52 52 ASP CA C 13 52.013 . . 1 . . . A 52 ASP CA . 34067 1 576 . 1 1 52 52 ASP CB C 13 42.816 . . 1 . . . A 52 ASP CB . 34067 1 577 . 1 1 52 52 ASP N N 15 129.340 . . 1 . . . A 52 ASP N . 34067 1 578 . 1 1 53 53 GLY H H 1 8.568 . . 1 . . . A 53 GLY H . 34067 1 579 . 1 1 53 53 GLY HA2 H 1 3.781 . . 2 . . . A 53 GLY HA2 . 34067 1 580 . 1 1 53 53 GLY HA3 H 1 3.559 . . 2 . . . A 53 GLY HA3 . 34067 1 581 . 1 1 53 53 GLY C C 13 174.893 . . 1 . . . A 53 GLY C . 34067 1 582 . 1 1 53 53 GLY CA C 13 46.357 . . 1 . . . A 53 GLY CA . 34067 1 583 . 1 1 53 53 GLY N N 15 111.833 . . 1 . . . A 53 GLY N . 34067 1 584 . 1 1 54 54 GLU H H 1 8.206 . . 1 . . . A 54 GLU H . 34067 1 585 . 1 1 54 54 GLU HA H 1 4.121 . . 1 . . . A 54 GLU HA . 34067 1 586 . 1 1 54 54 GLU HB2 H 1 2.044 . . 2 . . . A 54 GLU HB2 . 34067 1 587 . 1 1 54 54 GLU HG2 H 1 2.247 . . 2 . . . A 54 GLU HG2 . 34067 1 588 . 1 1 54 54 GLU HG3 H 1 2.105 . . 2 . . . A 54 GLU HG3 . 34067 1 589 . 1 1 54 54 GLU C C 13 178.135 . . 1 . . . A 54 GLU C . 34067 1 590 . 1 1 54 54 GLU CA C 13 58.098 . . 1 . . . A 54 GLU CA . 34067 1 591 . 1 1 54 54 GLU CB C 13 29.696 . . 1 . . . A 54 GLU CB . 34067 1 592 . 1 1 54 54 GLU CG C 13 36.622 . . 1 . . . A 54 GLU CG . 34067 1 593 . 1 1 54 54 GLU N N 15 120.364 . . 1 . . . A 54 GLU N . 34067 1 594 . 1 1 55 55 LYS H H 1 7.684 . . 1 . . . A 55 LYS H . 34067 1 595 . 1 1 55 55 LYS HA H 1 3.966 . . 1 . . . A 55 LYS HA . 34067 1 596 . 1 1 55 55 LYS HB2 H 1 1.653 . . 2 . . . A 55 LYS HB2 . 34067 1 597 . 1 1 55 55 LYS HB3 H 1 1.084 . . 2 . . . A 55 LYS HB3 . 34067 1 598 . 1 1 55 55 LYS HG2 H 1 1.486 . . 2 . . . A 55 LYS HG2 . 34067 1 599 . 1 1 55 55 LYS HG3 H 1 1.363 . . 2 . . . A 55 LYS HG3 . 34067 1 600 . 1 1 55 55 LYS HD2 H 1 1.310 . . 2 . . . A 55 LYS HD2 . 34067 1 601 . 1 1 55 55 LYS HD3 H 1 1.207 . . 2 . . . A 55 LYS HD3 . 34067 1 602 . 1 1 55 55 LYS HE2 H 1 2.871 . . 2 . . . A 55 LYS HE2 . 34067 1 603 . 1 1 55 55 LYS C C 13 175.680 . . 1 . . . A 55 LYS C . 34067 1 604 . 1 1 55 55 LYS CA C 13 56.264 . . 1 . . . A 55 LYS CA . 34067 1 605 . 1 1 55 55 LYS CB C 13 33.808 . . 1 . . . A 55 LYS CB . 34067 1 606 . 1 1 55 55 LYS CG C 13 28.887 . . 1 . . . A 55 LYS CG . 34067 1 607 . 1 1 55 55 LYS CD C 13 25.575 . . 1 . . . A 55 LYS CD . 34067 1 608 . 1 1 55 55 LYS CE C 13 41.714 . . 1 . . . A 55 LYS CE . 34067 1 609 . 1 1 55 55 LYS N N 15 117.508 . . 1 . . . A 55 LYS N . 34067 1 610 . 1 1 56 56 GLU H H 1 7.866 . . 1 . . . A 56 GLU H . 34067 1 611 . 1 1 56 56 GLU HA H 1 2.988 . . 1 . . . A 56 GLU HA . 34067 1 612 . 1 1 56 56 GLU HB2 H 1 2.105 . . 2 . . . A 56 GLU HB2 . 34067 1 613 . 1 1 56 56 GLU HB3 H 1 2.095 . . 2 . . . A 56 GLU HB3 . 34067 1 614 . 1 1 56 56 GLU HG2 H 1 2.019 . . 2 . . . A 56 GLU HG2 . 34067 1 615 . 1 1 56 56 GLU C C 13 174.105 . . 1 . . . A 56 GLU C . 34067 1 616 . 1 1 56 56 GLU CA C 13 56.801 . . 1 . . . A 56 GLU CA . 34067 1 617 . 1 1 56 56 GLU CB C 13 26.457 . . 1 . . . A 56 GLU CB . 34067 1 618 . 1 1 56 56 GLU CG C 13 37.184 . . 1 . . . A 56 GLU CG . 34067 1 619 . 1 1 56 56 GLU N N 15 116.439 . . 1 . . . A 56 GLU N . 34067 1 620 . 1 1 57 57 THR H H 1 6.502 . . 1 . . . A 57 THR H . 34067 1 621 . 1 1 57 57 THR HA H 1 4.195 . . 1 . . . A 57 THR HA . 34067 1 622 . 1 1 57 57 THR HB H 1 3.866 . . 1 . . . A 57 THR HB . 34067 1 623 . 1 1 57 57 THR HG21 H 1 0.749 . . 1 . . . A 57 THR HG21 . 34067 1 624 . 1 1 57 57 THR HG22 H 1 0.749 . . 1 . . . A 57 THR HG22 . 34067 1 625 . 1 1 57 57 THR HG23 H 1 0.749 . . 1 . . . A 57 THR HG23 . 34067 1 626 . 1 1 57 57 THR C C 13 171.150 . . 1 . . . A 57 THR C . 34067 1 627 . 1 1 57 57 THR CA C 13 59.803 . . 1 . . . A 57 THR CA . 34067 1 628 . 1 1 57 57 THR CB C 13 69.517 . . 1 . . . A 57 THR CB . 34067 1 629 . 1 1 57 57 THR CG2 C 13 19.184 . . 1 . . . A 57 THR CG2 . 34067 1 630 . 1 1 57 57 THR N N 15 109.265 . . 1 . . . A 57 THR N . 34067 1 631 . 1 1 58 58 TYR H H 1 7.597 . . 1 . . . A 58 TYR H . 34067 1 632 . 1 1 58 58 TYR HA H 1 4.895 . . 1 . . . A 58 TYR HA . 34067 1 633 . 1 1 58 58 TYR HB2 H 1 2.562 . . 2 . . . A 58 TYR HB2 . 34067 1 634 . 1 1 58 58 TYR HB3 H 1 2.578 . . 2 . . . A 58 TYR HB3 . 34067 1 635 . 1 1 58 58 TYR HD1 H 1 6.422 . . 3 . . . A 58 TYR HD1 . 34067 1 636 . 1 1 58 58 TYR HE1 H 1 5.797 . . 3 . . . A 58 TYR HE1 . 34067 1 637 . 1 1 58 58 TYR C C 13 175.828 . . 1 . . . A 58 TYR C . 34067 1 638 . 1 1 58 58 TYR CA C 13 57.316 . . 1 . . . A 58 TYR CA . 34067 1 639 . 1 1 58 58 TYR CB C 13 39.984 . . 1 . . . A 58 TYR CB . 34067 1 640 . 1 1 58 58 TYR CD1 C 13 132.292 . . 3 . . . A 58 TYR CD1 . 34067 1 641 . 1 1 58 58 TYR CE1 C 13 118.607 . . 3 . . . A 58 TYR CE1 . 34067 1 642 . 1 1 58 58 TYR N N 15 120.660 . . 1 . . . A 58 TYR N . 34067 1 643 . 1 1 59 59 VAL H H 1 9.268 . . 1 . . . A 59 VAL H . 34067 1 644 . 1 1 59 59 VAL HA H 1 4.492 . . 1 . . . A 59 VAL HA . 34067 1 645 . 1 1 59 59 VAL HB H 1 1.338 . . 1 . . . A 59 VAL HB . 34067 1 646 . 1 1 59 59 VAL HG11 H 1 0.894 . . 2 . . . A 59 VAL HG11 . 34067 1 647 . 1 1 59 59 VAL HG12 H 1 0.894 . . 2 . . . A 59 VAL HG12 . 34067 1 648 . 1 1 59 59 VAL HG13 H 1 0.894 . . 2 . . . A 59 VAL HG13 . 34067 1 649 . 1 1 59 59 VAL HG21 H 1 0.594 . . 2 . . . A 59 VAL HG21 . 34067 1 650 . 1 1 59 59 VAL HG22 H 1 0.594 . . 2 . . . A 59 VAL HG22 . 34067 1 651 . 1 1 59 59 VAL HG23 H 1 0.594 . . 2 . . . A 59 VAL HG23 . 34067 1 652 . 1 1 59 59 VAL CA C 13 58.539 . . 1 . . . A 59 VAL CA . 34067 1 653 . 1 1 59 59 VAL CB C 13 34.076 . . 1 . . . A 59 VAL CB . 34067 1 654 . 1 1 59 59 VAL CG1 C 13 21.135 . . 1 . . . A 59 VAL CG1 . 34067 1 655 . 1 1 59 59 VAL CG2 C 13 20.808 . . 1 . . . A 59 VAL CG2 . 34067 1 656 . 1 1 59 59 VAL N N 15 124.060 . . 1 . . . A 59 VAL N . 34067 1 657 . 1 1 60 60 PRO HA H 1 4.691 . . 1 . . . A 60 PRO HA . 34067 1 658 . 1 1 60 60 PRO HB2 H 1 2.313 . . 2 . . . A 60 PRO HB2 . 34067 1 659 . 1 1 60 60 PRO HB3 H 1 1.933 . . 2 . . . A 60 PRO HB3 . 34067 1 660 . 1 1 60 60 PRO HG2 H 1 2.129 . . 2 . . . A 60 PRO HG2 . 34067 1 661 . 1 1 60 60 PRO HG3 H 1 1.834 . . 2 . . . A 60 PRO HG3 . 34067 1 662 . 1 1 60 60 PRO HD2 H 1 3.790 . . 2 . . . A 60 PRO HD2 . 34067 1 663 . 1 1 60 60 PRO HD3 H 1 3.646 . . 2 . . . A 60 PRO HD3 . 34067 1 664 . 1 1 60 60 PRO C C 13 176.560 . . 1 . . . A 60 PRO C . 34067 1 665 . 1 1 60 60 PRO CA C 13 63.370 . . 1 . . . A 60 PRO CA . 34067 1 666 . 1 1 60 60 PRO CB C 13 32.297 . . 1 . . . A 60 PRO CB . 34067 1 667 . 1 1 60 60 PRO CG C 13 28.022 . . 1 . . . A 60 PRO CG . 34067 1 668 . 1 1 60 60 PRO CD C 13 51.140 . . 1 . . . A 60 PRO CD . 34067 1 669 . 1 1 61 61 ALA H H 1 8.794 . . 1 . . . A 61 ALA H . 34067 1 670 . 1 1 61 61 ALA HA H 1 4.470 . . 1 . . . A 61 ALA HA . 34067 1 671 . 1 1 61 61 ALA HB1 H 1 1.230 . . 1 . . . A 61 ALA HB1 . 34067 1 672 . 1 1 61 61 ALA HB2 H 1 1.230 . . 1 . . . A 61 ALA HB2 . 34067 1 673 . 1 1 61 61 ALA HB3 H 1 1.230 . . 1 . . . A 61 ALA HB3 . 34067 1 674 . 1 1 61 61 ALA C C 13 177.311 . . 1 . . . A 61 ALA C . 34067 1 675 . 1 1 61 61 ALA CA C 13 52.243 . . 1 . . . A 61 ALA CA . 34067 1 676 . 1 1 61 61 ALA CB C 13 19.666 . . 1 . . . A 61 ALA CB . 34067 1 677 . 1 1 61 61 ALA N N 15 125.778 . . 1 . . . A 61 ALA N . 34067 1 678 . 1 1 62 62 ALA H H 1 8.563 . . 1 . . . A 62 ALA H . 34067 1 679 . 1 1 62 62 ALA HA H 1 4.411 . . 1 . . . A 62 ALA HA . 34067 1 680 . 1 1 62 62 ALA HB1 H 1 1.452 . . 1 . . . A 62 ALA HB1 . 34067 1 681 . 1 1 62 62 ALA HB2 H 1 1.452 . . 1 . . . A 62 ALA HB2 . 34067 1 682 . 1 1 62 62 ALA HB3 H 1 1.452 . . 1 . . . A 62 ALA HB3 . 34067 1 683 . 1 1 62 62 ALA C C 13 177.468 . . 1 . . . A 62 ALA C . 34067 1 684 . 1 1 62 62 ALA CA C 13 52.263 . . 1 . . . A 62 ALA CA . 34067 1 685 . 1 1 62 62 ALA CB C 13 19.652 . . 1 . . . A 62 ALA CB . 34067 1 686 . 1 1 62 62 ALA N N 15 123.429 . . 1 . . . A 62 ALA N . 34067 1 687 . 1 1 63 63 GLU H H 1 8.597 . . 1 . . . A 63 GLU H . 34067 1 688 . 1 1 63 63 GLU HA H 1 4.333 . . 1 . . . A 63 GLU HA . 34067 1 689 . 1 1 63 63 GLU HB2 H 1 2.126 . . 2 . . . A 63 GLU HB2 . 34067 1 690 . 1 1 63 63 GLU HB3 H 1 1.948 . . 2 . . . A 63 GLU HB3 . 34067 1 691 . 1 1 63 63 GLU HG2 H 1 2.278 . . 2 . . . A 63 GLU HG2 . 34067 1 692 . 1 1 63 63 GLU HG3 H 1 2.118 . . 2 . . . A 63 GLU HG3 . 34067 1 693 . 1 1 63 63 GLU C C 13 175.745 . . 1 . . . A 63 GLU C . 34067 1 694 . 1 1 63 63 GLU CA C 13 56.615 . . 1 . . . A 63 GLU CA . 34067 1 695 . 1 1 63 63 GLU CB C 13 30.486 . . 1 . . . A 63 GLU CB . 34067 1 696 . 1 1 63 63 GLU CG C 13 36.562 . . 1 . . . A 63 GLU CG . 34067 1 697 . 1 1 63 63 GLU N N 15 120.633 . . 1 . . . A 63 GLU N . 34067 1 698 . 1 1 64 64 SER H H 1 8.081 . . 1 . . . A 64 SER H . 34067 1 699 . 1 1 64 64 SER HA H 1 4.209 . . 1 . . . A 64 SER HA . 34067 1 700 . 1 1 64 64 SER HB2 H 1 3.833 . . 2 . . . A 64 SER HB2 . 34067 1 701 . 1 1 64 64 SER CA C 13 59.788 . . 1 . . . A 64 SER CA . 34067 1 702 . 1 1 64 64 SER CB C 13 64.809 . . 1 . . . A 64 SER CB . 34067 1 703 . 1 1 64 64 SER N N 15 121.941 . . 1 . . . A 64 SER N . 34067 1 704 . 2 2 1 1 GLY HA3 H 1 3.791 . . 2 . . . B 100 GLY HA3 . 34067 1 705 . 2 2 1 1 GLY CA C 13 44.588 . . 1 . . . B 100 GLY CA . 34067 1 706 . 2 2 2 2 MET HA H 1 4.451 . . 1 . . . B 101 MET HA . 34067 1 707 . 2 2 2 2 MET HB2 H 1 1.994 . . 2 . . . B 101 MET HB2 . 34067 1 708 . 2 2 2 2 MET HB3 H 1 1.931 . . 2 . . . B 101 MET HB3 . 34067 1 709 . 2 2 2 2 MET HG2 H 1 2.498 . . 2 . . . B 101 MET HG2 . 34067 1 710 . 2 2 2 2 MET HG3 H 1 2.467 . . 2 . . . B 101 MET HG3 . 34067 1 711 . 2 2 2 2 MET HE1 H 1 2.013 . . 1 . . . B 101 MET HE1 . 34067 1 712 . 2 2 2 2 MET HE2 H 1 2.013 . . 1 . . . B 101 MET HE2 . 34067 1 713 . 2 2 2 2 MET HE3 H 1 2.013 . . 1 . . . B 101 MET HE3 . 34067 1 714 . 2 2 2 2 MET CA C 13 56.259 . . 1 . . . B 101 MET CA . 34067 1 715 . 2 2 2 2 MET CB C 13 33.266 . . 1 . . . B 101 MET CB . 34067 1 716 . 2 2 2 2 MET CE C 13 16.925 . . 1 . . . B 101 MET CE . 34067 1 717 . 2 2 3 3 ARG H H 1 8.417 . . 1 . . . B 102 ARG H . 34067 1 718 . 2 2 3 3 ARG HA H 1 4.587 . . 1 . . . B 102 ARG HA . 34067 1 719 . 2 2 3 3 ARG HB2 H 1 1.771 . . 2 . . . B 102 ARG HB2 . 34067 1 720 . 2 2 3 3 ARG HB3 H 1 1.668 . . 2 . . . B 102 ARG HB3 . 34067 1 721 . 2 2 3 3 ARG HG2 H 1 1.621 . . 2 . . . B 102 ARG HG2 . 34067 1 722 . 2 2 3 3 ARG HD2 H 1 3.095 . . 2 . . . B 102 ARG HD2 . 34067 1 723 . 2 2 3 3 ARG CA C 13 53.866 . . 1 . . . B 102 ARG CA . 34067 1 724 . 2 2 3 3 ARG CB C 13 30.174 . . 1 . . . B 102 ARG CB . 34067 1 725 . 2 2 3 3 ARG CD C 13 43.227 . . 1 . . . B 102 ARG CD . 34067 1 726 . 2 2 4 4 PRO HA H 1 4.615 . . 1 . . . B 103 PRO HA . 34067 1 727 . 2 2 4 4 PRO HB2 H 1 2.261 . . 2 . . . B 103 PRO HB2 . 34067 1 728 . 2 2 4 4 PRO HB3 H 1 1.838 . . 2 . . . B 103 PRO HB3 . 34067 1 729 . 2 2 4 4 PRO HG2 H 1 1.976 . . 2 . . . B 103 PRO HG2 . 34067 1 730 . 2 2 4 4 PRO HG3 H 1 1.945 . . 2 . . . B 103 PRO HG3 . 34067 1 731 . 2 2 4 4 PRO HD2 H 1 3.762 . . 2 . . . B 103 PRO HD2 . 34067 1 732 . 2 2 4 4 PRO HD3 H 1 3.542 . . 2 . . . B 103 PRO HD3 . 34067 1 733 . 2 2 4 4 PRO CA C 13 61.461 . . 1 . . . B 103 PRO CA . 34067 1 734 . 2 2 4 4 PRO CB C 13 30.643 . . 1 . . . B 103 PRO CB . 34067 1 735 . 2 2 4 4 PRO CG C 13 27.276 . . 1 . . . B 103 PRO CG . 34067 1 736 . 2 2 4 4 PRO CD C 13 50.605 . . 1 . . . B 103 PRO CD . 34067 1 737 . 2 2 5 5 PRO HA H 1 4.601 . . 1 . . . B 104 PRO HA . 34067 1 738 . 2 2 5 5 PRO HB2 H 1 2.198 . . 2 . . . B 104 PRO HB2 . 34067 1 739 . 2 2 5 5 PRO HB3 H 1 1.806 . . 2 . . . B 104 PRO HB3 . 34067 1 740 . 2 2 5 5 PRO HG2 H 1 1.940 . . 2 . . . B 104 PRO HG2 . 34067 1 741 . 2 2 5 5 PRO HD2 H 1 3.727 . . 2 . . . B 104 PRO HD2 . 34067 1 742 . 2 2 5 5 PRO HD3 H 1 3.521 . . 2 . . . B 104 PRO HD3 . 34067 1 743 . 2 2 5 5 PRO CA C 13 61.258 . . 1 . . . B 104 PRO CA . 34067 1 744 . 2 2 5 5 PRO CB C 13 32.036 . . 1 . . . B 104 PRO CB . 34067 1 745 . 2 2 5 5 PRO CG C 13 27.293 . . 1 . . . B 104 PRO CG . 34067 1 746 . 2 2 5 5 PRO CD C 13 50.278 . . 1 . . . B 104 PRO CD . 34067 1 747 . 2 2 6 6 PRO HA H 1 4.544 . . 1 . . . B 105 PRO HA . 34067 1 748 . 2 2 6 6 PRO HB2 H 1 2.167 . . 2 . . . B 105 PRO HB2 . 34067 1 749 . 2 2 6 6 PRO HB3 H 1 1.782 . . 2 . . . B 105 PRO HB3 . 34067 1 750 . 2 2 6 6 PRO HG2 H 1 1.903 . . 2 . . . B 105 PRO HG2 . 34067 1 751 . 2 2 6 6 PRO HD2 H 1 3.665 . . 2 . . . B 105 PRO HD2 . 34067 1 752 . 2 2 6 6 PRO HD3 H 1 3.449 . . 2 . . . B 105 PRO HD3 . 34067 1 753 . 2 2 6 6 PRO CA C 13 61.225 . . 1 . . . B 105 PRO CA . 34067 1 754 . 2 2 6 6 PRO CB C 13 30.619 . . 1 . . . B 105 PRO CB . 34067 1 755 . 2 2 6 6 PRO CG C 13 27.267 . . 1 . . . B 105 PRO CG . 34067 1 756 . 2 2 6 6 PRO CD C 13 50.174 . . 1 . . . B 105 PRO CD . 34067 1 757 . 2 2 7 7 PRO HA H 1 4.331 . . 1 . . . B 106 PRO HA . 34067 1 758 . 2 2 7 7 PRO HB2 H 1 2.182 . . 2 . . . B 106 PRO HB2 . 34067 1 759 . 2 2 7 7 PRO HB3 H 1 1.822 . . 2 . . . B 106 PRO HB3 . 34067 1 760 . 2 2 7 7 PRO HG2 H 1 1.925 . . 2 . . . B 106 PRO HG2 . 34067 1 761 . 2 2 7 7 PRO HD2 H 1 3.654 . . 2 . . . B 106 PRO HD2 . 34067 1 762 . 2 2 7 7 PRO HD3 H 1 3.469 . . 2 . . . B 106 PRO HD3 . 34067 1 763 . 2 2 7 7 PRO CA C 13 63.170 . . 1 . . . B 106 PRO CA . 34067 1 764 . 2 2 7 7 PRO CB C 13 30.499 . . 1 . . . B 106 PRO CB . 34067 1 765 . 2 2 7 7 PRO CG C 13 27.227 . . 1 . . . B 106 PRO CG . 34067 1 766 . 2 2 7 7 PRO CD C 13 50.242 . . 1 . . . B 106 PRO CD . 34067 1 767 . 2 2 8 8 GLY H H 1 8.284 . . 1 . . . B 107 GLY H . 34067 1 768 . 2 2 8 8 GLY HA2 H 1 3.878 . . 2 . . . B 107 GLY HA2 . 34067 1 769 . 2 2 8 8 GLY CA C 13 45.013 . . 1 . . . B 107 GLY CA . 34067 1 770 . 2 2 9 9 ILE H H 1 7.868 . . 1 . . . B 108 ILE H . 34067 1 771 . 2 2 9 9 ILE HA H 1 4.128 . . 1 . . . B 108 ILE HA . 34067 1 772 . 2 2 9 9 ILE HB H 1 1.786 . . 1 . . . B 108 ILE HB . 34067 1 773 . 2 2 9 9 ILE HG12 H 1 1.366 . . 1 . . . B 108 ILE HG12 . 34067 1 774 . 2 2 9 9 ILE HG13 H 1 1.130 . . 1 . . . B 108 ILE HG13 . 34067 1 775 . 2 2 9 9 ILE HG21 H 1 0.841 . . 2 . . . B 108 ILE HG21 . 34067 1 776 . 2 2 9 9 ILE HG22 H 1 0.841 . . 2 . . . B 108 ILE HG22 . 34067 1 777 . 2 2 9 9 ILE HG23 H 1 0.841 . . 2 . . . B 108 ILE HG23 . 34067 1 778 . 2 2 9 9 ILE HD11 H 1 0.770 . . 1 . . . B 108 ILE HD11 . 34067 1 779 . 2 2 9 9 ILE HD12 H 1 0.770 . . 1 . . . B 108 ILE HD12 . 34067 1 780 . 2 2 9 9 ILE HD13 H 1 0.770 . . 1 . . . B 108 ILE HD13 . 34067 1 781 . 2 2 9 9 ILE CA C 13 62.266 . . 1 . . . B 108 ILE CA . 34067 1 782 . 2 2 9 9 ILE CB C 13 38.572 . . 1 . . . B 108 ILE CB . 34067 1 783 . 2 2 9 9 ILE CG1 C 13 27.256 . . 2 . . . B 108 ILE CG1 . 34067 1 784 . 2 2 9 9 ILE CG2 C 13 17.422 . . 1 . . . B 108 ILE CG2 . 34067 1 785 . 2 2 9 9 ILE CD1 C 13 12.777 . . 1 . . . B 108 ILE CD1 . 34067 1 786 . 2 2 10 10 ARG H H 1 8.366 . . 1 . . . B 109 ARG H . 34067 1 787 . 2 2 10 10 ARG HA H 1 4.339 . . 1 . . . B 109 ARG HA . 34067 1 788 . 2 2 10 10 ARG HB2 H 1 1.852 . . 2 . . . B 109 ARG HB2 . 34067 1 789 . 2 2 10 10 ARG HB3 H 1 1.718 . . 2 . . . B 109 ARG HB3 . 34067 1 790 . 2 2 10 10 ARG HG2 H 1 1.610 . . 2 . . . B 109 ARG HG2 . 34067 1 791 . 2 2 10 10 ARG HG3 H 1 1.582 . . 2 . . . B 109 ARG HG3 . 34067 1 792 . 2 2 10 10 ARG HD2 H 1 3.129 . . 2 . . . B 109 ARG HD2 . 34067 1 793 . 2 2 10 10 ARG CA C 13 55.870 . . 1 . . . B 109 ARG CA . 34067 1 794 . 2 2 10 10 ARG CB C 13 30.829 . . 1 . . . B 109 ARG CB . 34067 1 795 . 2 2 10 10 ARG CG C 13 26.768 . . 1 . . . B 109 ARG CG . 34067 1 796 . 2 2 10 10 ARG CD C 13 43.158 . . 1 . . . B 109 ARG CD . 34067 1 797 . 2 2 11 11 GLY H H 1 7.902 . . 1 . . . B 110 GLY H . 34067 1 798 . 2 2 11 11 GLY HA2 H 1 3.726 . . 2 . . . B 110 GLY HA2 . 34067 1 799 . 2 2 11 11 GLY HA3 H 1 3.685 . . 2 . . . B 110 GLY HA3 . 34067 1 800 . 2 2 11 11 GLY CA C 13 45.951 . . 1 . . . B 110 GLY CA . 34067 1 stop_ save_