data_19531 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19531 _Entry.Title ; NMR spatial structure of the trimeric mutant TM domain of VEGFR2 receptor. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-02 _Entry.Accession_date 2013-10-02 _Entry.Last_release_date 2014-07-28 _Entry.Original_release_date 2014-07-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _Entry.Details 'The TM domain of VEGRF2 bears the V/E substitution at the position 769.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Konstantin Mineev . S. . 19531 2 Alexander Arseniev . A . 19531 3 Mikhail Shulepko . . . 19531 4 Ekaterina Lyukmanova . N . 19531 5 Mikhail Kirpichnikov . P . 19531 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' . 19531 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID dimer . 19531 homodimer . 19531 'receptor tyrosine kinase' . 19531 VEGFR2 . 19531 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19531 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 171 19531 '15N chemical shifts' 44 19531 '1H chemical shifts' 310 19531 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 . . 2014-07-28 2013-10-01 original author . 19531 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19531 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR spatial structure of the trimeric mutant TM domain of VEGFR2 receptor' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Konstantin Mineev . S. . 19531 1 2 Alexander Arseniev . A . 19531 1 3 Mikhail Shulepko . . . 19531 1 4 Ekaterina Lyukmanova . N . 19531 1 5 Mikhail Kirpichnikov . P . 19531 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19531 _Assembly.ID 1 _Assembly.Name 'trimeric mutant TM domain of VEGFR2 receptor' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 'VEGFR-2tm769, 1' 1 $VEGFR-2tm769 A . yes native no no . . . 19531 1 2 'VEGFR-2tm769, 2' 1 $VEGFR-2tm769 B . yes native no no . . . 19531 1 3 'VEGFR-2tm769, 3' 1 $VEGFR-2tm769 C . yes native no no . . . 19531 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VEGFR-2tm769 _Entity.Sf_category entity _Entity.Sf_framecode VEGFR-2tm769 _Entity.Entry_ID 19531 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VEGFR-2tm769 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EKTNLEIIILEGTAVIAMFF WLLLVIILRTVKRANGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4161.088 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19041 . VEGFR2tm . . . . . 100.00 37 97.30 97.30 8.81e-14 . . . . 19531 1 2 no PDB 2M59 . "Spatial Structure Of Dimeric Vegfr2 Membrane Domain In Dpc Micelles" . . . . . 100.00 37 97.30 97.30 8.81e-14 . . . . 19531 1 3 no PDB 2MET . "Nmr Spatial Structure Of The Trimeric Mutant Tm Domain Of Vegfr2 Receptor" . . . . . 100.00 37 100.00 100.00 6.59e-15 . . . . 19531 1 4 no DBJ BAD93138 . "kinase insert domain receptor (a type III receptor tyrosine kinase) variant [Homo sapiens]" . . . . . 100.00 1451 97.30 97.30 1.68e-13 . . . . 19531 1 5 no GB AAB34594 . "vascular endothelial growth factor receptor 2, partial [Coturnix sp. IF-1995]" . . . . . 62.16 117 100.00 100.00 7.73e-06 . . . . 19531 1 6 no GB AAB88005 . "KDR/flk-1 protein [Homo sapiens]" . . . . . 100.00 1356 97.30 97.30 1.64e-13 . . . . 19531 1 7 no GB AAC16450 . "vascular endothelial growth factor receptor 2 [Homo sapiens]" . . . . . 100.00 1356 97.30 97.30 1.64e-13 . . . . 19531 1 8 no GB AAI31823 . "Kinase insert domain receptor (a type III receptor tyrosine kinase) [Homo sapiens]" . . . . . 100.00 1356 97.30 97.30 1.64e-13 . . . . 19531 1 9 no GB EAX05462 . "kinase insert domain receptor (a type III receptor tyrosine kinase), isoform CRA_a [Homo sapiens]" . . . . . 100.00 1356 97.30 97.30 1.64e-13 . . . . 19531 1 10 no PIR I51296 . "vascular endothelial growth factor receptor 2 - quail (fragment) [Phasianidae gen. sp.]" . . . . . 62.16 117 100.00 100.00 7.73e-06 . . . . 19531 1 11 no REF NP_002244 . "vascular endothelial growth factor receptor 2 precursor [Homo sapiens]" . . . . . 100.00 1356 97.30 97.30 1.64e-13 . . . . 19531 1 12 no REF XP_001086814 . "PREDICTED: vascular endothelial growth factor receptor 2 [Macaca mulatta]" . . . . . 100.00 1361 97.30 97.30 1.64e-13 . . . . 19531 1 13 no REF XP_002745866 . "PREDICTED: vascular endothelial growth factor receptor 2 isoform X1 [Callithrix jacchus]" . . . . . 100.00 1356 97.30 97.30 1.64e-13 . . . . 19531 1 14 no REF XP_002814831 . "PREDICTED: vascular endothelial growth factor receptor 2 isoform X1 [Pongo abelii]" . . . . . 100.00 1356 97.30 97.30 1.64e-13 . . . . 19531 1 15 no REF XP_003268434 . "PREDICTED: vascular endothelial growth factor receptor 2 [Nomascus leucogenys]" . . . . . 100.00 1356 97.30 97.30 1.64e-13 . . . . 19531 1 16 no SP P35968 . "RecName: Full=Vascular endothelial growth factor receptor 2; Short=VEGFR-2; AltName: Full=Fetal liver kinase 1; Short=FLK-1; Al" . . . . . 100.00 1356 97.30 97.30 1.64e-13 . . . . 19531 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 GLU . 19531 1 2 2 LYS . 19531 1 3 3 THR . 19531 1 4 4 ASN . 19531 1 5 5 LEU . 19531 1 6 6 GLU . 19531 1 7 7 ILE . 19531 1 8 8 ILE . 19531 1 9 9 ILE . 19531 1 10 10 LEU . 19531 1 11 11 GLU . 19531 1 12 12 GLY . 19531 1 13 13 THR . 19531 1 14 14 ALA . 19531 1 15 15 VAL . 19531 1 16 16 ILE . 19531 1 17 17 ALA . 19531 1 18 18 MET . 19531 1 19 19 PHE . 19531 1 20 20 PHE . 19531 1 21 21 TRP . 19531 1 22 22 LEU . 19531 1 23 23 LEU . 19531 1 24 24 LEU . 19531 1 25 25 VAL . 19531 1 26 26 ILE . 19531 1 27 27 ILE . 19531 1 28 28 LEU . 19531 1 29 29 ARG . 19531 1 30 30 THR . 19531 1 31 31 VAL . 19531 1 32 32 LYS . 19531 1 33 33 ARG . 19531 1 34 34 ALA . 19531 1 35 35 ASN . 19531 1 36 36 GLY . 19531 1 37 37 GLY . 19531 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 . GLU 1 1 19531 1 . LYS 2 2 19531 1 . THR 3 3 19531 1 . ASN 4 4 19531 1 . LEU 5 5 19531 1 . GLU 6 6 19531 1 . ILE 7 7 19531 1 . ILE 8 8 19531 1 . ILE 9 9 19531 1 . LEU 10 10 19531 1 . GLU 11 11 19531 1 . GLY 12 12 19531 1 . THR 13 13 19531 1 . ALA 14 14 19531 1 . VAL 15 15 19531 1 . ILE 16 16 19531 1 . ALA 17 17 19531 1 . MET 18 18 19531 1 . PHE 19 19 19531 1 . PHE 20 20 19531 1 . TRP 21 21 19531 1 . LEU 22 22 19531 1 . LEU 23 23 19531 1 . LEU 24 24 19531 1 . VAL 25 25 19531 1 . ILE 26 26 19531 1 . ILE 27 27 19531 1 . LEU 28 28 19531 1 . ARG 29 29 19531 1 . THR 30 30 19531 1 . VAL 31 31 19531 1 . LYS 32 32 19531 1 . ARG 33 33 19531 1 . ALA 34 34 19531 1 . ASN 35 35 19531 1 . GLY 36 36 19531 1 . GLY 37 37 19531 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 19531 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $VEGFR-2tm769 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19531 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 19531 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $VEGFR-2tm769 . 'recombinant technology' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . pET20b(+) . . . . . . 19531 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19531 _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 VEGFR-2tm769 'natural abundance' . . 1 $VEGFR-2tm769 . . 0.6 . . mM . . . . 19531 1 2 VEGFR-2tm769 '[U-100% 13C; U-100% 15N]' . . 1 $VEGFR-2tm769 . . 0.6 . . mM . . . . 19531 1 3 DPC '[U-100% 2H]' . . . . . . 120 . . mM . . . . 19531 1 4 'sodium acetate' '[U-99% 2H]' . . . . . . 20 . . mM . . . . 19531 1 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 19531 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19531 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19531 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 19531 _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' 20 . mM 19531 1 pH 4.5 . pH 19531 1 pressure 1 . atm 19531 1 temperature 318 . K 19531 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19531 _Software.ID 1 _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' . . 19531 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19531 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19531 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19531 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19531 2 'data analysis' 19531 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19531 _Software.ID 3 _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' . . 19531 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19531 3 stop_ save_ save_qMDD _Software.Sf_category software _Software.Sf_framecode qMDD _Software.Entry_ID 19531 _Software.ID 4 _Software.Name qMDD _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Orekhov, Mayzel' . . 19531 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19531 4 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 19531 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 19531 _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 . . . 19531 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 19531 _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 . . . . . . . . . . . . . . . . 19531 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19531 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19531 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19531 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19531 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19531 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19531 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19531 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19531 1 10 '13C,15N - filtered NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19531 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 19531 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19531 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19531 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19531 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 19531 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 19531 1 2 '2D 1H-13C HSQC' . . . 19531 1 3 '3D CBCA(CO)NH' . . . 19531 1 4 '3D HNCACB' . . . 19531 1 5 '3D HNCA' . . . 19531 1 6 '3D HNCO' . . . 19531 1 7 '3D 1H-13C NOESY aliphatic' . . . 19531 1 8 '3D 1H-13C NOESY aromatic' . . . 19531 1 9 '3D 1H-15N NOESY' . . . 19531 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 1 1 GLU HA H 1 4.354 0.0100 . 1 . . . A 1 GLU HA . 19531 1 2 . 1 1 1 1 GLU HB2 H 1 2.035 0.0100 . 2 . . . A 1 GLU HB2 . 19531 1 3 . 1 1 1 1 GLU HB3 H 1 2.145 0.0100 . 2 . . . A 1 GLU HB3 . 19531 1 4 . 1 1 1 1 GLU HG2 H 1 2.407 0.0100 . 1 . . . A 1 GLU HG2 . 19531 1 5 . 1 1 1 1 GLU HG3 H 1 2.407 0.0100 . 1 . . . A 1 GLU HG3 . 19531 1 6 . 1 1 1 1 GLU H H 1 8.543 0.0100 . 1 . . . A 1 GLU H1 . 19531 1 7 . 1 1 1 1 GLU C C 13 176.212 0.1000 . 1 . . . A 1 GLU C . 19531 1 8 . 1 1 1 1 GLU CA C 13 56.203 0.1000 . 1 . . . A 1 GLU CA . 19531 1 9 . 1 1 1 1 GLU CB C 13 28.690 0.1000 . 1 . . . A 1 GLU CB . 19531 1 10 . 1 1 1 1 GLU CG C 13 33.830 0.1000 . 1 . . . A 1 GLU CG . 19531 1 11 . 1 1 1 1 GLU N N 15 121.340 0.1000 . 1 . . . A 1 GLU N . 19531 1 12 . 1 1 2 2 LYS H H 1 8.417 0.0100 . 1 . . . A 2 LYS H . 19531 1 13 . 1 1 2 2 LYS HA H 1 4.158 0.0100 . 1 . . . A 2 LYS HA . 19531 1 14 . 1 1 2 2 LYS HB2 H 1 1.865 0.0100 . 1 . . . A 2 LYS HB2 . 19531 1 15 . 1 1 2 2 LYS HB3 H 1 1.865 0.0100 . 1 . . . A 2 LYS HB3 . 19531 1 16 . 1 1 2 2 LYS HG2 H 1 1.479 0.0100 . 2 . . . A 2 LYS HG2 . 19531 1 17 . 1 1 2 2 LYS HG3 H 1 1.407 0.0100 . 2 . . . A 2 LYS HG3 . 19531 1 18 . 1 1 2 2 LYS HD2 H 1 1.715 0.0100 . 1 . . . A 2 LYS HD2 . 19531 1 19 . 1 1 2 2 LYS HD3 H 1 1.715 0.0100 . 1 . . . A 2 LYS HD3 . 19531 1 20 . 1 1 2 2 LYS HE2 H 1 2.995 0.0100 . 1 . . . A 2 LYS HE2 . 19531 1 21 . 1 1 2 2 LYS HE3 H 1 2.995 0.0100 . 1 . . . A 2 LYS HE3 . 19531 1 22 . 1 1 2 2 LYS C C 13 176.441 0.1000 . 1 . . . A 2 LYS C . 19531 1 23 . 1 1 2 2 LYS CA C 13 57.601 0.1000 . 1 . . . A 2 LYS CA . 19531 1 24 . 1 1 2 2 LYS CB C 13 32.121 0.1000 . 1 . . . A 2 LYS CB . 19531 1 25 . 1 1 2 2 LYS CG C 13 24.263 0.1000 . 1 . . . A 2 LYS CG . 19531 1 26 . 1 1 2 2 LYS CD C 13 28.546 0.1000 . 1 . . . A 2 LYS CD . 19531 1 27 . 1 1 2 2 LYS CE C 13 41.250 0.1000 . 1 . . . A 2 LYS CE . 19531 1 28 . 1 1 2 2 LYS N N 15 121.638 0.1000 . 1 . . . A 2 LYS N . 19531 1 29 . 1 1 3 3 THR H H 1 7.990 0.0100 . 1 . . . A 3 THR H . 19531 1 30 . 1 1 3 3 THR HA H 1 4.123 0.0100 . 1 . . . A 3 THR HA . 19531 1 31 . 1 1 3 3 THR HB H 1 4.163 0.0100 . 1 . . . A 3 THR HB . 19531 1 32 . 1 1 3 3 THR HG21 H 1 1.223 0.0100 . 1 . . . A 3 THR HG21 . 19531 1 33 . 1 1 3 3 THR HG22 H 1 1.223 0.0100 . 1 . . . A 3 THR HG22 . 19531 1 34 . 1 1 3 3 THR HG23 H 1 1.223 0.0100 . 1 . . . A 3 THR HG23 . 19531 1 35 . 1 1 3 3 THR C C 13 174.346 0.1000 . 1 . . . A 3 THR C . 19531 1 36 . 1 1 3 3 THR CA C 13 63.394 0.1000 . 1 . . . A 3 THR CA . 19531 1 37 . 1 1 3 3 THR CB C 13 68.478 0.1000 . 1 . . . A 3 THR CB . 19531 1 38 . 1 1 3 3 THR CG2 C 13 21.546 0.1000 . 1 . . . A 3 THR CG2 . 19531 1 39 . 1 1 3 3 THR N N 15 114.230 0.1000 . 1 . . . A 3 THR N . 19531 1 40 . 1 1 4 4 ASN H H 1 8.081 0.0100 . 1 . . . A 4 ASN H . 19531 1 41 . 1 1 4 4 ASN HA H 1 4.613 0.0100 . 1 . . . A 4 ASN HA . 19531 1 42 . 1 1 4 4 ASN HB2 H 1 2.879 0.0100 . 1 . . . A 4 ASN HB2 . 19531 1 43 . 1 1 4 4 ASN HB3 H 1 2.879 0.0100 . 1 . . . A 4 ASN HB3 . 19531 1 44 . 1 1 4 4 ASN HD21 H 1 7.676 0.0100 . 2 . . . A 4 ASN HD21 . 19531 1 45 . 1 1 4 4 ASN HD22 H 1 6.872 0.0100 . 2 . . . A 4 ASN HD22 . 19531 1 46 . 1 1 4 4 ASN C C 13 176.190 0.1000 . 1 . . . A 4 ASN C . 19531 1 47 . 1 1 4 4 ASN CA C 13 54.387 0.1000 . 1 . . . A 4 ASN CA . 19531 1 48 . 1 1 4 4 ASN CB C 13 37.862 0.1000 . 1 . . . A 4 ASN CB . 19531 1 49 . 1 1 4 4 ASN CG C 13 175.448 0.1000 . 1 . . . A 4 ASN CG . 19531 1 50 . 1 1 4 4 ASN N N 15 120.011 0.1000 . 1 . . . A 4 ASN N . 19531 1 51 . 1 1 4 4 ASN ND2 N 15 111.992 0.1000 . 1 . . . A 4 ASN ND2 . 19531 1 52 . 1 1 5 5 LEU H H 1 8.267 0.0100 . 1 . . . A 5 LEU H . 19531 1 53 . 1 1 5 5 LEU HA H 1 4.066 0.0100 . 1 . . . A 5 LEU HA . 19531 1 54 . 1 1 5 5 LEU HB2 H 1 1.769 0.0100 . 2 . . . A 5 LEU HB2 . 19531 1 55 . 1 1 5 5 LEU HB3 H 1 1.649 0.0100 . 2 . . . A 5 LEU HB3 . 19531 1 56 . 1 1 5 5 LEU HG H 1 1.713 0.0100 . 1 . . . A 5 LEU HG . 19531 1 57 . 1 1 5 5 LEU HD11 H 1 0.904 0.0100 . 2 . . . A 5 LEU HD11 . 19531 1 58 . 1 1 5 5 LEU HD12 H 1 0.904 0.0100 . 2 . . . A 5 LEU HD12 . 19531 1 59 . 1 1 5 5 LEU HD13 H 1 0.904 0.0100 . 2 . . . A 5 LEU HD13 . 19531 1 60 . 1 1 5 5 LEU HD21 H 1 0.930 0.0100 . 2 . . . A 5 LEU HD21 . 19531 1 61 . 1 1 5 5 LEU HD22 H 1 0.930 0.0100 . 2 . . . A 5 LEU HD22 . 19531 1 62 . 1 1 5 5 LEU HD23 H 1 0.930 0.0100 . 2 . . . A 5 LEU HD23 . 19531 1 63 . 1 1 5 5 LEU C C 13 177.336 0.1000 . 1 . . . A 5 LEU C . 19531 1 64 . 1 1 5 5 LEU CA C 13 57.390 0.1000 . 1 . . . A 5 LEU CA . 19531 1 65 . 1 1 5 5 LEU CB C 13 41.266 0.1000 . 1 . . . A 5 LEU CB . 19531 1 66 . 1 1 5 5 LEU CG C 13 26.517 0.1000 . 1 . . . A 5 LEU CG . 19531 1 67 . 1 1 5 5 LEU CD1 C 13 24.104 0.1000 . 1 . . . A 5 LEU CD1 . 19531 1 68 . 1 1 5 5 LEU CD2 C 13 23.950 0.1000 . 1 . . . A 5 LEU CD2 . 19531 1 69 . 1 1 5 5 LEU N N 15 121.330 0.1000 . 1 . . . A 5 LEU N . 19531 1 70 . 1 1 6 6 GLU H H 1 8.243 0.0100 . 1 . . . A 6 GLU H . 19531 1 71 . 1 1 6 6 GLU HA H 1 3.745 0.0100 . 1 . . . A 6 GLU HA . 19531 1 72 . 1 1 6 6 GLU HB2 H 1 2.317 0.0100 . 2 . . . A 6 GLU HB2 . 19531 1 73 . 1 1 6 6 GLU HB3 H 1 2.021 0.0100 . 2 . . . A 6 GLU HB3 . 19531 1 74 . 1 1 6 6 GLU HG2 H 1 2.533 0.0100 . 2 . . . A 6 GLU HG2 . 19531 1 75 . 1 1 6 6 GLU HG3 H 1 2.210 0.0100 . 2 . . . A 6 GLU HG3 . 19531 1 76 . 1 1 6 6 GLU C C 13 176.943 0.1000 . 1 . . . A 6 GLU C . 19531 1 77 . 1 1 6 6 GLU CA C 13 59.511 0.1000 . 1 . . . A 6 GLU CA . 19531 1 78 . 1 1 6 6 GLU CB C 13 27.497 0.1000 . 1 . . . A 6 GLU CB . 19531 1 79 . 1 1 6 6 GLU CG C 13 33.218 0.1000 . 1 . . . A 6 GLU CG . 19531 1 80 . 1 1 6 6 GLU N N 15 116.966 0.1000 . 1 . . . A 6 GLU N . 19531 1 81 . 1 1 7 7 ILE H H 1 7.776 0.0100 . 1 . . . A 7 ILE H . 19531 1 82 . 1 1 7 7 ILE HA H 1 3.716 0.0100 . 1 . . . A 7 ILE HA . 19531 1 83 . 1 1 7 7 ILE HB H 1 2.023 0.0100 . 1 . . . A 7 ILE HB . 19531 1 84 . 1 1 7 7 ILE HG12 H 1 1.219 0.0100 . 2 . . . A 7 ILE HG12 . 19531 1 85 . 1 1 7 7 ILE HG13 H 1 1.748 0.0100 . 2 . . . A 7 ILE HG13 . 19531 1 86 . 1 1 7 7 ILE HG21 H 1 0.919 0.0100 . 1 . . . A 7 ILE HG21 . 19531 1 87 . 1 1 7 7 ILE HG22 H 1 0.919 0.0100 . 1 . . . A 7 ILE HG22 . 19531 1 88 . 1 1 7 7 ILE HG23 H 1 0.919 0.0100 . 1 . . . A 7 ILE HG23 . 19531 1 89 . 1 1 7 7 ILE HD11 H 1 0.878 0.0100 . 1 . . . A 7 ILE HD11 . 19531 1 90 . 1 1 7 7 ILE HD12 H 1 0.878 0.0100 . 1 . . . A 7 ILE HD12 . 19531 1 91 . 1 1 7 7 ILE HD13 H 1 0.878 0.0100 . 1 . . . A 7 ILE HD13 . 19531 1 92 . 1 1 7 7 ILE C C 13 176.932 0.1000 . 1 . . . A 7 ILE C . 19531 1 93 . 1 1 7 7 ILE CA C 13 64.027 0.1000 . 1 . . . A 7 ILE CA . 19531 1 94 . 1 1 7 7 ILE CB C 13 36.758 0.1000 . 1 . . . A 7 ILE CB . 19531 1 95 . 1 1 7 7 ILE CG1 C 13 28.612 0.1000 . 1 . . . A 7 ILE CG1 . 19531 1 96 . 1 1 7 7 ILE CG2 C 13 16.884 0.1000 . 1 . . . A 7 ILE CG2 . 19531 1 97 . 1 1 7 7 ILE CD1 C 13 11.999 0.1000 . 1 . . . A 7 ILE CD1 . 19531 1 98 . 1 1 7 7 ILE N N 15 117.410 0.1000 . 1 . . . A 7 ILE N . 19531 1 99 . 1 1 8 8 ILE H H 1 7.775 0.0100 . 1 . . . A 8 ILE H . 19531 1 100 . 1 1 8 8 ILE HA H 1 3.873 0.0100 . 1 . . . A 8 ILE HA . 19531 1 101 . 1 1 8 8 ILE HB H 1 2.025 0.0100 . 1 . . . A 8 ILE HB . 19531 1 102 . 1 1 8 8 ILE HG12 H 1 1.213 0.0100 . 2 . . . A 8 ILE HG12 . 19531 1 103 . 1 1 8 8 ILE HG13 H 1 1.757 0.0100 . 2 . . . A 8 ILE HG13 . 19531 1 104 . 1 1 8 8 ILE HG21 H 1 0.958 0.0100 . 1 . . . A 8 ILE HG21 . 19531 1 105 . 1 1 8 8 ILE HG22 H 1 0.958 0.0100 . 1 . . . A 8 ILE HG22 . 19531 1 106 . 1 1 8 8 ILE HG23 H 1 0.958 0.0100 . 1 . . . A 8 ILE HG23 . 19531 1 107 . 1 1 8 8 ILE HD11 H 1 0.864 0.0100 . 1 . . . A 8 ILE HD11 . 19531 1 108 . 1 1 8 8 ILE HD12 H 1 0.864 0.0100 . 1 . . . A 8 ILE HD12 . 19531 1 109 . 1 1 8 8 ILE HD13 H 1 0.864 0.0100 . 1 . . . A 8 ILE HD13 . 19531 1 110 . 1 1 8 8 ILE C C 13 177.565 0.1000 . 1 . . . A 8 ILE C . 19531 1 111 . 1 1 8 8 ILE CA C 13 64.395 0.1000 . 1 . . . A 8 ILE CA . 19531 1 112 . 1 1 8 8 ILE CB C 13 36.982 0.1000 . 1 . . . A 8 ILE CB . 19531 1 113 . 1 1 8 8 ILE CG1 C 13 28.757 0.1000 . 1 . . . A 8 ILE CG1 . 19531 1 114 . 1 1 8 8 ILE CG2 C 13 16.975 0.1000 . 1 . . . A 8 ILE CG2 . 19531 1 115 . 1 1 8 8 ILE CD1 C 13 12.682 0.1000 . 1 . . . A 8 ILE CD1 . 19531 1 116 . 1 1 8 8 ILE N N 15 120.195 0.1000 . 1 . . . A 8 ILE N . 19531 1 117 . 1 1 9 9 ILE H H 1 8.251 0.0100 . 1 . . . A 9 ILE H . 19531 1 118 . 1 1 9 9 ILE HA H 1 3.769 0.0100 . 1 . . . A 9 ILE HA . 19531 1 119 . 1 1 9 9 ILE HB H 1 1.956 0.0100 . 1 . . . A 9 ILE HB . 19531 1 120 . 1 1 9 9 ILE HG12 H 1 1.101 0.0100 . 2 . . . A 9 ILE HG12 . 19531 1 121 . 1 1 9 9 ILE HG13 H 1 1.771 0.0100 . 2 . . . A 9 ILE HG13 . 19531 1 122 . 1 1 9 9 ILE HG21 H 1 0.846 0.0100 . 1 . . . A 9 ILE HG21 . 19531 1 123 . 1 1 9 9 ILE HG22 H 1 0.846 0.0100 . 1 . . . A 9 ILE HG22 . 19531 1 124 . 1 1 9 9 ILE HG23 H 1 0.846 0.0100 . 1 . . . A 9 ILE HG23 . 19531 1 125 . 1 1 9 9 ILE HD11 H 1 0.760 0.0100 . 1 . . . A 9 ILE HD11 . 19531 1 126 . 1 1 9 9 ILE HD12 H 1 0.760 0.0100 . 1 . . . A 9 ILE HD12 . 19531 1 127 . 1 1 9 9 ILE HD13 H 1 0.760 0.0100 . 1 . . . A 9 ILE HD13 . 19531 1 128 . 1 1 9 9 ILE C C 13 178.886 0.1000 . 1 . . . A 9 ILE C . 19531 1 129 . 1 1 9 9 ILE CA C 13 64.384 0.1000 . 1 . . . A 9 ILE CA . 19531 1 130 . 1 1 9 9 ILE CB C 13 36.685 0.1000 . 1 . . . A 9 ILE CB . 19531 1 131 . 1 1 9 9 ILE CG1 C 13 28.696 0.1000 . 1 . . . A 9 ILE CG1 . 19531 1 132 . 1 1 9 9 ILE CG2 C 13 16.729 0.1000 . 1 . . . A 9 ILE CG2 . 19531 1 133 . 1 1 9 9 ILE CD1 C 13 12.602 0.1000 . 1 . . . A 9 ILE CD1 . 19531 1 134 . 1 1 9 9 ILE N N 15 119.224 0.1000 . 1 . . . A 9 ILE N . 19531 1 135 . 1 1 10 10 LEU H H 1 8.324 0.0100 . 1 . . . A 10 LEU H . 19531 1 136 . 1 1 10 10 LEU HA H 1 4.067 0.0100 . 1 . . . A 10 LEU HA . 19531 1 137 . 1 1 10 10 LEU HB2 H 1 1.990 0.0100 . 2 . . . A 10 LEU HB2 . 19531 1 138 . 1 1 10 10 LEU HB3 H 1 1.650 0.0100 . 2 . . . A 10 LEU HB3 . 19531 1 139 . 1 1 10 10 LEU HG H 1 1.879 0.0100 . 1 . . . A 10 LEU HG . 19531 1 140 . 1 1 10 10 LEU HD11 H 1 0.906 0.0100 . 2 . . . A 10 LEU HD11 . 19531 1 141 . 1 1 10 10 LEU HD12 H 1 0.906 0.0100 . 2 . . . A 10 LEU HD12 . 19531 1 142 . 1 1 10 10 LEU HD13 H 1 0.906 0.0100 . 2 . . . A 10 LEU HD13 . 19531 1 143 . 1 1 10 10 LEU HD21 H 1 0.893 0.0100 . 2 . . . A 10 LEU HD21 . 19531 1 144 . 1 1 10 10 LEU HD22 H 1 0.893 0.0100 . 2 . . . A 10 LEU HD22 . 19531 1 145 . 1 1 10 10 LEU HD23 H 1 0.893 0.0100 . 2 . . . A 10 LEU HD23 . 19531 1 146 . 1 1 10 10 LEU C C 13 177.675 0.1000 . 1 . . . A 10 LEU C . 19531 1 147 . 1 1 10 10 LEU CA C 13 58.240 0.1000 . 1 . . . A 10 LEU CA . 19531 1 148 . 1 1 10 10 LEU CB C 13 41.314 0.1000 . 1 . . . A 10 LEU CB . 19531 1 149 . 1 1 10 10 LEU CG C 13 26.411 0.1000 . 1 . . . A 10 LEU CG . 19531 1 150 . 1 1 10 10 LEU CD1 C 13 24.601 0.1000 . 1 . . . A 10 LEU CD1 . 19531 1 151 . 1 1 10 10 LEU CD2 C 13 23.315 0.1000 . 1 . . . A 10 LEU CD2 . 19531 1 152 . 1 1 10 10 LEU N N 15 123.325 0.1000 . 1 . . . A 10 LEU N . 19531 1 153 . 1 1 11 11 GLU H H 1 8.813 0.0100 . 1 . . . A 11 GLU H . 19531 1 154 . 1 1 11 11 GLU HA H 1 3.873 0.0100 . 1 . . . A 11 GLU HA . 19531 1 155 . 1 1 11 11 GLU HB2 H 1 2.386 0.0100 . 2 . . . A 11 GLU HB2 . 19531 1 156 . 1 1 11 11 GLU HB3 H 1 1.930 0.0100 . 2 . . . A 11 GLU HB3 . 19531 1 157 . 1 1 11 11 GLU HG2 H 1 2.784 0.0100 . 2 . . . A 11 GLU HG2 . 19531 1 158 . 1 1 11 11 GLU HG3 H 1 2.168 0.0100 . 2 . . . A 11 GLU HG3 . 19531 1 159 . 1 1 11 11 GLU C C 13 177.653 0.1000 . 1 . . . A 11 GLU C . 19531 1 160 . 1 1 11 11 GLU CA C 13 59.253 0.1000 . 1 . . . A 11 GLU CA . 19531 1 161 . 1 1 11 11 GLU CB C 13 27.731 0.1000 . 1 . . . A 11 GLU CB . 19531 1 162 . 1 1 11 11 GLU CG C 13 33.786 0.1000 . 1 . . . A 11 GLU CG . 19531 1 163 . 1 1 11 11 GLU N N 15 117.683 0.1000 . 1 . . . A 11 GLU N . 19531 1 164 . 1 1 12 12 GLY H H 1 8.982 0.0100 . 1 . . . A 12 GLY H . 19531 1 165 . 1 1 12 12 GLY HA2 H 1 3.674 0.0100 . 1 . . . A 12 GLY HA2 . 19531 1 166 . 1 1 12 12 GLY HA3 H 1 3.674 0.0100 . 1 . . . A 12 GLY HA3 . 19531 1 167 . 1 1 12 12 GLY C C 13 174.335 0.1000 . 1 . . . A 12 GLY C . 19531 1 168 . 1 1 12 12 GLY CA C 13 46.866 0.1000 . 1 . . . A 12 GLY CA . 19531 1 169 . 1 1 12 12 GLY N N 15 105.086 0.1000 . 1 . . . A 12 GLY N . 19531 1 170 . 1 1 13 13 THR H H 1 8.390 0.0100 . 1 . . . A 13 THR H . 19531 1 171 . 1 1 13 13 THR HA H 1 3.807 0.0100 . 1 . . . A 13 THR HA . 19531 1 172 . 1 1 13 13 THR HB H 1 4.299 0.0100 . 1 . . . A 13 THR HB . 19531 1 173 . 1 1 13 13 THR HG1 H 1 4.824 0.0100 . 1 . . . A 13 THR HG1 . 19531 1 174 . 1 1 13 13 THR HG21 H 1 1.209 0.0100 . 1 . . . A 13 THR HG21 . 19531 1 175 . 1 1 13 13 THR HG22 H 1 1.209 0.0100 . 1 . . . A 13 THR HG22 . 19531 1 176 . 1 1 13 13 THR HG23 H 1 1.209 0.0100 . 1 . . . A 13 THR HG23 . 19531 1 177 . 1 1 13 13 THR C C 13 174.935 0.1000 . 1 . . . A 13 THR C . 19531 1 178 . 1 1 13 13 THR CA C 13 67.282 0.1000 . 1 . . . A 13 THR CA . 19531 1 179 . 1 1 13 13 THR CB C 13 68.420 0.1000 . 1 . . . A 13 THR CB . 19531 1 180 . 1 1 13 13 THR CG2 C 13 21.067 0.1000 . 1 . . . A 13 THR CG2 . 19531 1 181 . 1 1 13 13 THR N N 15 117.460 0.1000 . 1 . . . A 13 THR N . 19531 1 182 . 1 1 14 14 ALA H H 1 8.038 0.0100 . 1 . . . A 14 ALA H . 19531 1 183 . 1 1 14 14 ALA HA H 1 3.934 0.0100 . 1 . . . A 14 ALA HA . 19531 1 184 . 1 1 14 14 ALA HB1 H 1 1.479 0.0100 . 1 . . . A 14 ALA HB1 . 19531 1 185 . 1 1 14 14 ALA HB2 H 1 1.479 0.0100 . 1 . . . A 14 ALA HB2 . 19531 1 186 . 1 1 14 14 ALA HB3 H 1 1.479 0.0100 . 1 . . . A 14 ALA HB3 . 19531 1 187 . 1 1 14 14 ALA C C 13 178.067 0.1000 . 1 . . . A 14 ALA C . 19531 1 188 . 1 1 14 14 ALA CA C 13 54.902 0.1000 . 1 . . . A 14 ALA CA . 19531 1 189 . 1 1 14 14 ALA CB C 13 17.380 0.1000 . 1 . . . A 14 ALA CB . 19531 1 190 . 1 1 14 14 ALA N N 15 123.171 0.1000 . 1 . . . A 14 ALA N . 19531 1 191 . 1 1 15 15 VAL H H 1 7.806 0.0100 . 1 . . . A 15 VAL H . 19531 1 192 . 1 1 15 15 VAL HA H 1 3.543 0.0100 . 1 . . . A 15 VAL HA . 19531 1 193 . 1 1 15 15 VAL HB H 1 2.234 0.0100 . 1 . . . A 15 VAL HB . 19531 1 194 . 1 1 15 15 VAL HG11 H 1 0.855 0.0100 . 2 . . . A 15 VAL HG11 . 19531 1 195 . 1 1 15 15 VAL HG12 H 1 0.855 0.0100 . 2 . . . A 15 VAL HG12 . 19531 1 196 . 1 1 15 15 VAL HG13 H 1 0.855 0.0100 . 2 . . . A 15 VAL HG13 . 19531 1 197 . 1 1 15 15 VAL HG21 H 1 1.073 0.0100 . 2 . . . A 15 VAL HG21 . 19531 1 198 . 1 1 15 15 VAL HG22 H 1 1.073 0.0100 . 2 . . . A 15 VAL HG22 . 19531 1 199 . 1 1 15 15 VAL HG23 H 1 1.073 0.0100 . 2 . . . A 15 VAL HG23 . 19531 1 200 . 1 1 15 15 VAL C C 13 176.683 0.1000 . 1 . . . A 15 VAL C . 19531 1 201 . 1 1 15 15 VAL CA C 13 66.397 0.1000 . 1 . . . A 15 VAL CA . 19531 1 202 . 1 1 15 15 VAL CB C 13 30.720 0.1000 . 1 . . . A 15 VAL CB . 19531 1 203 . 1 1 15 15 VAL CG1 C 13 21.182 0.1000 . 1 . . . A 15 VAL CG1 . 19531 1 204 . 1 1 15 15 VAL CG2 C 13 22.675 0.1000 . 1 . . . A 15 VAL CG2 . 19531 1 205 . 1 1 15 15 VAL N N 15 116.350 0.1000 . 1 . . . A 15 VAL N . 19531 1 206 . 1 1 16 16 ILE H H 1 7.888 0.0100 . 1 . . . A 16 ILE H . 19531 1 207 . 1 1 16 16 ILE HA H 1 3.578 0.0100 . 1 . . . A 16 ILE HA . 19531 1 208 . 1 1 16 16 ILE HB H 1 1.834 0.0100 . 1 . . . A 16 ILE HB . 19531 1 209 . 1 1 16 16 ILE HG12 H 1 1.776 0.0100 . 2 . . . A 16 ILE HG12 . 19531 1 210 . 1 1 16 16 ILE HG13 H 1 0.964 0.0100 . 2 . . . A 16 ILE HG13 . 19531 1 211 . 1 1 16 16 ILE HG21 H 1 0.714 0.0100 . 1 . . . A 16 ILE HG21 . 19531 1 212 . 1 1 16 16 ILE HG22 H 1 0.714 0.0100 . 1 . . . A 16 ILE HG22 . 19531 1 213 . 1 1 16 16 ILE HG23 H 1 0.714 0.0100 . 1 . . . A 16 ILE HG23 . 19531 1 214 . 1 1 16 16 ILE HD11 H 1 0.544 0.0100 . 1 . . . A 16 ILE HD11 . 19531 1 215 . 1 1 16 16 ILE HD12 H 1 0.544 0.0100 . 1 . . . A 16 ILE HD12 . 19531 1 216 . 1 1 16 16 ILE HD13 H 1 0.544 0.0100 . 1 . . . A 16 ILE HD13 . 19531 1 217 . 1 1 16 16 ILE C C 13 176.725 0.1000 . 1 . . . A 16 ILE C . 19531 1 218 . 1 1 16 16 ILE CA C 13 64.497 0.1000 . 1 . . . A 16 ILE CA . 19531 1 219 . 1 1 16 16 ILE CB C 13 36.631 0.1000 . 1 . . . A 16 ILE CB . 19531 1 220 . 1 1 16 16 ILE CG1 C 13 28.642 0.1000 . 1 . . . A 16 ILE CG1 . 19531 1 221 . 1 1 16 16 ILE CG2 C 13 16.986 0.1000 . 1 . . . A 16 ILE CG2 . 19531 1 222 . 1 1 16 16 ILE CD1 C 13 12.011 0.1000 . 1 . . . A 16 ILE CD1 . 19531 1 223 . 1 1 16 16 ILE N N 15 119.033 0.1000 . 1 . . . A 16 ILE N . 19531 1 224 . 1 1 17 17 ALA H H 1 8.339 0.0100 . 1 . . . A 17 ALA H . 19531 1 225 . 1 1 17 17 ALA HA H 1 3.755 0.0100 . 1 . . . A 17 ALA HA . 19531 1 226 . 1 1 17 17 ALA HB1 H 1 1.206 0.0100 . 1 . . . A 17 ALA HB1 . 19531 1 227 . 1 1 17 17 ALA HB2 H 1 1.206 0.0100 . 1 . . . A 17 ALA HB2 . 19531 1 228 . 1 1 17 17 ALA HB3 H 1 1.206 0.0100 . 1 . . . A 17 ALA HB3 . 19531 1 229 . 1 1 17 17 ALA C C 13 178.412 0.1000 . 1 . . . A 17 ALA C . 19531 1 230 . 1 1 17 17 ALA CA C 13 55.117 0.1000 . 1 . . . A 17 ALA CA . 19531 1 231 . 1 1 17 17 ALA CB C 13 17.292 0.1000 . 1 . . . A 17 ALA CB . 19531 1 232 . 1 1 17 17 ALA N N 15 121.070 0.1000 . 1 . . . A 17 ALA N . 19531 1 233 . 1 1 18 18 MET H H 1 8.083 0.0100 . 1 . . . A 18 MET H . 19531 1 234 . 1 1 18 18 MET HA H 1 4.197 0.0100 . 1 . . . A 18 MET HA . 19531 1 235 . 1 1 18 18 MET HB2 H 1 2.216 0.0100 . 2 . . . A 18 MET HB2 . 19531 1 236 . 1 1 18 18 MET HB3 H 1 2.058 0.0100 . 2 . . . A 18 MET HB3 . 19531 1 237 . 1 1 18 18 MET HG2 H 1 2.433 0.0100 . 2 . . . A 18 MET HG2 . 19531 1 238 . 1 1 18 18 MET HG3 H 1 2.605 0.0100 . 2 . . . A 18 MET HG3 . 19531 1 239 . 1 1 18 18 MET HE1 H 1 1.871 0.0100 . 1 . . . A 18 MET HE1 . 19531 1 240 . 1 1 18 18 MET HE2 H 1 1.871 0.0100 . 1 . . . A 18 MET HE2 . 19531 1 241 . 1 1 18 18 MET HE3 H 1 1.871 0.0100 . 1 . . . A 18 MET HE3 . 19531 1 242 . 1 1 18 18 MET C C 13 177.183 0.1000 . 1 . . . A 18 MET C . 19531 1 243 . 1 1 18 18 MET CA C 13 58.472 0.1000 . 1 . . . A 18 MET CA . 19531 1 244 . 1 1 18 18 MET CB C 13 32.163 0.1000 . 1 . . . A 18 MET CB . 19531 1 245 . 1 1 18 18 MET CG C 13 32.053 0.1000 . 1 . . . A 18 MET CG . 19531 1 246 . 1 1 18 18 MET CE C 13 16.592 0.1000 . 1 . . . A 18 MET CE . 19531 1 247 . 1 1 18 18 MET N N 15 115.503 0.1000 . 1 . . . A 18 MET N . 19531 1 248 . 1 1 19 19 PHE H H 1 8.360 0.0100 . 1 . . . A 19 PHE H . 19531 1 249 . 1 1 19 19 PHE HA H 1 4.108 0.0100 . 1 . . . A 19 PHE HA . 19531 1 250 . 1 1 19 19 PHE HB2 H 1 3.089 0.0100 . 1 . . . A 19 PHE HB2 . 19531 1 251 . 1 1 19 19 PHE HB3 H 1 3.089 0.0100 . 1 . . . A 19 PHE HB3 . 19531 1 252 . 1 1 19 19 PHE HD1 H 1 6.910 0.0100 . 1 . . . A 19 PHE HD1 . 19531 1 253 . 1 1 19 19 PHE HD2 H 1 6.910 0.0100 . 1 . . . A 19 PHE HD2 . 19531 1 254 . 1 1 19 19 PHE HE1 H 1 6.816 0.0100 . 1 . . . A 19 PHE HE1 . 19531 1 255 . 1 1 19 19 PHE HE2 H 1 6.816 0.0100 . 1 . . . A 19 PHE HE2 . 19531 1 256 . 1 1 19 19 PHE HZ H 1 6.907 0.0100 . 1 . . . A 19 PHE HZ . 19531 1 257 . 1 1 19 19 PHE C C 13 176.162 0.1000 . 1 . . . A 19 PHE C . 19531 1 258 . 1 1 19 19 PHE CA C 13 60.891 0.1000 . 1 . . . A 19 PHE CA . 19531 1 259 . 1 1 19 19 PHE CB C 13 38.120 0.1000 . 1 . . . A 19 PHE CB . 19531 1 260 . 1 1 19 19 PHE CD2 C 13 129.753 0.1000 . 1 . . . A 19 PHE CD2 . 19531 1 261 . 1 1 19 19 PHE CE2 C 13 129.855 0.1000 . 1 . . . A 19 PHE CE2 . 19531 1 262 . 1 1 19 19 PHE CZ C 13 127.893 0.1000 . 1 . . . A 19 PHE CZ . 19531 1 263 . 1 1 19 19 PHE N N 15 118.667 0.1000 . 1 . . . A 19 PHE N . 19531 1 264 . 1 1 20 20 PHE H H 1 8.405 0.0100 . 1 . . . A 20 PHE H . 19531 1 265 . 1 1 20 20 PHE HA H 1 4.007 0.0100 . 1 . . . A 20 PHE HA . 19531 1 266 . 1 1 20 20 PHE HB2 H 1 3.146 0.0100 . 2 . . . A 20 PHE HB2 . 19531 1 267 . 1 1 20 20 PHE HB3 H 1 2.996 0.0100 . 2 . . . A 20 PHE HB3 . 19531 1 268 . 1 1 20 20 PHE HD1 H 1 6.907 0.0100 . 1 . . . A 20 PHE HD1 . 19531 1 269 . 1 1 20 20 PHE HD2 H 1 6.907 0.0100 . 1 . . . A 20 PHE HD2 . 19531 1 270 . 1 1 20 20 PHE HE1 H 1 6.822 0.0100 . 1 . . . A 20 PHE HE1 . 19531 1 271 . 1 1 20 20 PHE HE2 H 1 6.822 0.0100 . 1 . . . A 20 PHE HE2 . 19531 1 272 . 1 1 20 20 PHE HZ H 1 6.944 0.0100 . 1 . . . A 20 PHE HZ . 19531 1 273 . 1 1 20 20 PHE CA C 13 61.188 0.1000 . 1 . . . A 20 PHE CA . 19531 1 274 . 1 1 20 20 PHE CB C 13 38.062 0.1000 . 1 . . . A 20 PHE CB . 19531 1 275 . 1 1 20 20 PHE CD2 C 13 130.761 0.1000 . 1 . . . A 20 PHE CD2 . 19531 1 276 . 1 1 20 20 PHE CE2 C 13 129.849 0.1000 . 1 . . . A 20 PHE CE2 . 19531 1 277 . 1 1 20 20 PHE CZ C 13 127.978 0.1000 . 1 . . . A 20 PHE CZ . 19531 1 278 . 1 1 20 20 PHE N N 15 118.069 0.1000 . 1 . . . A 20 PHE N . 19531 1 279 . 1 1 21 21 TRP H H 1 8.406 0.0100 . 1 . . . A 21 TRP H . 19531 1 280 . 1 1 21 21 TRP HA H 1 4.331 0.0100 . 1 . . . A 21 TRP HA . 19531 1 281 . 1 1 21 21 TRP HB2 H 1 3.313 0.0100 . 2 . . . A 21 TRP HB2 . 19531 1 282 . 1 1 21 21 TRP HB3 H 1 3.247 0.0100 . 2 . . . A 21 TRP HB3 . 19531 1 283 . 1 1 21 21 TRP HD1 H 1 7.019 0.0100 . 1 . . . A 21 TRP HD1 . 19531 1 284 . 1 1 21 21 TRP HE1 H 1 9.411 0.0100 . 1 . . . A 21 TRP HE1 . 19531 1 285 . 1 1 21 21 TRP HE3 H 1 7.476 0.0100 . 1 . . . A 21 TRP HE3 . 19531 1 286 . 1 1 21 21 TRP HZ2 H 1 7.175 0.0100 . 1 . . . A 21 TRP HZ2 . 19531 1 287 . 1 1 21 21 TRP HZ3 H 1 6.826 0.0100 . 1 . . . A 21 TRP HZ3 . 19531 1 288 . 1 1 21 21 TRP HH2 H 1 6.918 0.0100 . 1 . . . A 21 TRP HH2 . 19531 1 289 . 1 1 21 21 TRP N N 15 119.005 0.1000 . 1 . . . A 21 TRP N . 19531 1 290 . 1 1 21 21 TRP NE1 N 15 125.339 0.1000 . 1 . . . A 21 TRP NE1 . 19531 1 291 . 1 1 22 22 LEU H H 1 8.161 0.0100 . 1 . . . A 22 LEU H . 19531 1 292 . 1 1 22 22 LEU HA H 1 3.810 0.0100 . 1 . . . A 22 LEU HA . 19531 1 293 . 1 1 22 22 LEU HB2 H 1 1.635 0.0100 . 2 . . . A 22 LEU HB2 . 19531 1 294 . 1 1 22 22 LEU HB3 H 1 1.539 0.0100 . 2 . . . A 22 LEU HB3 . 19531 1 295 . 1 1 22 22 LEU HG H 1 1.702 0.0100 . 1 . . . A 22 LEU HG . 19531 1 296 . 1 1 22 22 LEU HD11 H 1 0.826 0.0100 . 2 . . . A 22 LEU HD11 . 19531 1 297 . 1 1 22 22 LEU HD12 H 1 0.826 0.0100 . 2 . . . A 22 LEU HD12 . 19531 1 298 . 1 1 22 22 LEU HD13 H 1 0.826 0.0100 . 2 . . . A 22 LEU HD13 . 19531 1 299 . 1 1 22 22 LEU HD21 H 1 0.701 0.0100 . 2 . . . A 22 LEU HD21 . 19531 1 300 . 1 1 22 22 LEU HD22 H 1 0.701 0.0100 . 2 . . . A 22 LEU HD22 . 19531 1 301 . 1 1 22 22 LEU HD23 H 1 0.701 0.0100 . 2 . . . A 22 LEU HD23 . 19531 1 302 . 1 1 22 22 LEU C C 13 177.893 0.1000 . 1 . . . A 22 LEU C . 19531 1 303 . 1 1 22 22 LEU CA C 13 57.546 0.1000 . 1 . . . A 22 LEU CA . 19531 1 304 . 1 1 22 22 LEU CB C 13 40.825 0.1000 . 1 . . . A 22 LEU CB . 19531 1 305 . 1 1 22 22 LEU CG C 13 26.528 0.1000 . 1 . . . A 22 LEU CG . 19531 1 306 . 1 1 22 22 LEU CD1 C 13 23.836 0.1000 . 1 . . . A 22 LEU CD1 . 19531 1 307 . 1 1 22 22 LEU CD2 C 13 23.755 0.1000 . 1 . . . A 22 LEU CD2 . 19531 1 308 . 1 1 22 22 LEU N N 15 118.489 0.1000 . 1 . . . A 22 LEU N . 19531 1 309 . 1 1 23 23 LEU H H 1 8.125 0.0100 . 1 . . . A 23 LEU H . 19531 1 310 . 1 1 23 23 LEU HA H 1 3.799 0.0100 . 1 . . . A 23 LEU HA . 19531 1 311 . 1 1 23 23 LEU HB2 H 1 1.551 0.0100 . 1 . . . A 23 LEU HB2 . 19531 1 312 . 1 1 23 23 LEU HB3 H 1 1.551 0.0100 . 1 . . . A 23 LEU HB3 . 19531 1 313 . 1 1 23 23 LEU HG H 1 1.548 0.0100 . 1 . . . A 23 LEU HG . 19531 1 314 . 1 1 23 23 LEU HD11 H 1 0.823 0.0100 . 2 . . . A 23 LEU HD11 . 19531 1 315 . 1 1 23 23 LEU HD12 H 1 0.823 0.0100 . 2 . . . A 23 LEU HD12 . 19531 1 316 . 1 1 23 23 LEU HD13 H 1 0.823 0.0100 . 2 . . . A 23 LEU HD13 . 19531 1 317 . 1 1 23 23 LEU HD21 H 1 0.718 0.0100 . 2 . . . A 23 LEU HD21 . 19531 1 318 . 1 1 23 23 LEU HD22 H 1 0.718 0.0100 . 2 . . . A 23 LEU HD22 . 19531 1 319 . 1 1 23 23 LEU HD23 H 1 0.718 0.0100 . 2 . . . A 23 LEU HD23 . 19531 1 320 . 1 1 23 23 LEU C C 13 177.849 0.1000 . 1 . . . A 23 LEU C . 19531 1 321 . 1 1 23 23 LEU CA C 13 57.459 0.1000 . 1 . . . A 23 LEU CA . 19531 1 322 . 1 1 23 23 LEU CB C 13 40.810 0.1000 . 1 . . . A 23 LEU CB . 19531 1 323 . 1 1 23 23 LEU CG C 13 26.122 0.1000 . 1 . . . A 23 LEU CG . 19531 1 324 . 1 1 23 23 LEU CD1 C 13 23.901 0.1000 . 1 . . . A 23 LEU CD1 . 19531 1 325 . 1 1 23 23 LEU CD2 C 13 23.719 0.1000 . 1 . . . A 23 LEU CD2 . 19531 1 326 . 1 1 23 23 LEU N N 15 118.413 0.1000 . 1 . . . A 23 LEU N . 19531 1 327 . 1 1 24 24 LEU H H 1 8.136 0.0100 . 1 . . . A 24 LEU H . 19531 1 328 . 1 1 24 24 LEU HA H 1 3.762 0.0100 . 1 . . . A 24 LEU HA . 19531 1 329 . 1 1 24 24 LEU HB2 H 1 1.562 0.0100 . 1 . . . A 24 LEU HB2 . 19531 1 330 . 1 1 24 24 LEU HB3 H 1 1.562 0.0100 . 1 . . . A 24 LEU HB3 . 19531 1 331 . 1 1 24 24 LEU HG H 1 1.529 0.0100 . 1 . . . A 24 LEU HG . 19531 1 332 . 1 1 24 24 LEU HD11 H 1 0.718 0.0100 . 2 . . . A 24 LEU HD11 . 19531 1 333 . 1 1 24 24 LEU HD12 H 1 0.718 0.0100 . 2 . . . A 24 LEU HD12 . 19531 1 334 . 1 1 24 24 LEU HD13 H 1 0.718 0.0100 . 2 . . . A 24 LEU HD13 . 19531 1 335 . 1 1 24 24 LEU HD21 H 1 0.663 0.0100 . 2 . . . A 24 LEU HD21 . 19531 1 336 . 1 1 24 24 LEU HD22 H 1 0.663 0.0100 . 2 . . . A 24 LEU HD22 . 19531 1 337 . 1 1 24 24 LEU HD23 H 1 0.663 0.0100 . 2 . . . A 24 LEU HD23 . 19531 1 338 . 1 1 24 24 LEU C C 13 178.031 0.1000 . 1 . . . A 24 LEU C . 19531 1 339 . 1 1 24 24 LEU CA C 13 57.671 0.1000 . 1 . . . A 24 LEU CA . 19531 1 340 . 1 1 24 24 LEU CB C 13 40.703 0.1000 . 1 . . . A 24 LEU CB . 19531 1 341 . 1 1 24 24 LEU CG C 13 26.095 0.1000 . 1 . . . A 24 LEU CG . 19531 1 342 . 1 1 24 24 LEU CD1 C 13 23.676 0.1000 . 1 . . . A 24 LEU CD1 . 19531 1 343 . 1 1 24 24 LEU CD2 C 13 23.700 0.1000 . 1 . . . A 24 LEU CD2 . 19531 1 344 . 1 1 24 24 LEU N N 15 118.214 0.1000 . 1 . . . A 24 LEU N . 19531 1 345 . 1 1 25 25 VAL H H 1 8.070 0.0100 . 1 . . . A 25 VAL H . 19531 1 346 . 1 1 25 25 VAL HA H 1 3.480 0.0100 . 1 . . . A 25 VAL HA . 19531 1 347 . 1 1 25 25 VAL HB H 1 2.241 0.0100 . 1 . . . A 25 VAL HB . 19531 1 348 . 1 1 25 25 VAL HG11 H 1 0.865 0.0100 . 2 . . . A 25 VAL HG11 . 19531 1 349 . 1 1 25 25 VAL HG12 H 1 0.865 0.0100 . 2 . . . A 25 VAL HG12 . 19531 1 350 . 1 1 25 25 VAL HG13 H 1 0.865 0.0100 . 2 . . . A 25 VAL HG13 . 19531 1 351 . 1 1 25 25 VAL HG21 H 1 0.950 0.0100 . 2 . . . A 25 VAL HG21 . 19531 1 352 . 1 1 25 25 VAL HG22 H 1 0.950 0.0100 . 2 . . . A 25 VAL HG22 . 19531 1 353 . 1 1 25 25 VAL HG23 H 1 0.950 0.0100 . 2 . . . A 25 VAL HG23 . 19531 1 354 . 1 1 25 25 VAL C C 13 177.205 0.1000 . 1 . . . A 25 VAL C . 19531 1 355 . 1 1 25 25 VAL CA C 13 66.663 0.1000 . 1 . . . A 25 VAL CA . 19531 1 356 . 1 1 25 25 VAL CB C 13 30.678 0.1000 . 1 . . . A 25 VAL CB . 19531 1 357 . 1 1 25 25 VAL CG1 C 13 20.984 0.1000 . 1 . . . A 25 VAL CG1 . 19531 1 358 . 1 1 25 25 VAL CG2 C 13 22.343 0.1000 . 1 . . . A 25 VAL CG2 . 19531 1 359 . 1 1 25 25 VAL N N 15 118.045 0.1000 . 1 . . . A 25 VAL N . 19531 1 360 . 1 1 26 26 ILE H H 1 8.236 0.0100 . 1 . . . A 26 ILE H . 19531 1 361 . 1 1 26 26 ILE HA H 1 3.600 0.0100 . 1 . . . A 26 ILE HA . 19531 1 362 . 1 1 26 26 ILE HB H 1 2.040 0.0100 . 1 . . . A 26 ILE HB . 19531 1 363 . 1 1 26 26 ILE HG12 H 1 1.083 0.0100 . 2 . . . A 26 ILE HG12 . 19531 1 364 . 1 1 26 26 ILE HG13 H 1 1.799 0.0100 . 2 . . . A 26 ILE HG13 . 19531 1 365 . 1 1 26 26 ILE HG21 H 1 0.855 0.0100 . 1 . . . A 26 ILE HG21 . 19531 1 366 . 1 1 26 26 ILE HG22 H 1 0.855 0.0100 . 1 . . . A 26 ILE HG22 . 19531 1 367 . 1 1 26 26 ILE HG23 H 1 0.855 0.0100 . 1 . . . A 26 ILE HG23 . 19531 1 368 . 1 1 26 26 ILE HD11 H 1 0.775 0.0100 . 1 . . . A 26 ILE HD11 . 19531 1 369 . 1 1 26 26 ILE HD12 H 1 0.775 0.0100 . 1 . . . A 26 ILE HD12 . 19531 1 370 . 1 1 26 26 ILE HD13 H 1 0.775 0.0100 . 1 . . . A 26 ILE HD13 . 19531 1 371 . 1 1 26 26 ILE C C 13 178.973 0.1000 . 1 . . . A 26 ILE C . 19531 1 372 . 1 1 26 26 ILE CA C 13 64.732 0.1000 . 1 . . . A 26 ILE CA . 19531 1 373 . 1 1 26 26 ILE CB C 13 36.875 0.1000 . 1 . . . A 26 ILE CB . 19531 1 374 . 1 1 26 26 ILE CG1 C 13 28.773 0.1000 . 1 . . . A 26 ILE CG1 . 19531 1 375 . 1 1 26 26 ILE CG2 C 13 16.675 0.1000 . 1 . . . A 26 ILE CG2 . 19531 1 376 . 1 1 26 26 ILE CD1 C 13 12.580 0.1000 . 1 . . . A 26 ILE CD1 . 19531 1 377 . 1 1 26 26 ILE N N 15 119.465 0.1000 . 1 . . . A 26 ILE N . 19531 1 378 . 1 1 27 27 ILE H H 1 8.672 0.0100 . 1 . . . A 27 ILE H . 19531 1 379 . 1 1 27 27 ILE HA H 1 3.548 0.0100 . 1 . . . A 27 ILE HA . 19531 1 380 . 1 1 27 27 ILE HB H 1 2.033 0.0100 . 1 . . . A 27 ILE HB . 19531 1 381 . 1 1 27 27 ILE HG12 H 1 0.967 0.0100 . 2 . . . A 27 ILE HG12 . 19531 1 382 . 1 1 27 27 ILE HG13 H 1 1.862 0.0100 . 2 . . . A 27 ILE HG13 . 19531 1 383 . 1 1 27 27 ILE HG21 H 1 0.840 0.0100 . 1 . . . A 27 ILE HG21 . 19531 1 384 . 1 1 27 27 ILE HG22 H 1 0.840 0.0100 . 1 . . . A 27 ILE HG22 . 19531 1 385 . 1 1 27 27 ILE HG23 H 1 0.840 0.0100 . 1 . . . A 27 ILE HG23 . 19531 1 386 . 1 1 27 27 ILE HD11 H 1 0.763 0.0100 . 1 . . . A 27 ILE HD11 . 19531 1 387 . 1 1 27 27 ILE HD12 H 1 0.763 0.0100 . 1 . . . A 27 ILE HD12 . 19531 1 388 . 1 1 27 27 ILE HD13 H 1 0.763 0.0100 . 1 . . . A 27 ILE HD13 . 19531 1 389 . 1 1 27 27 ILE C C 13 177.205 0.1000 . 1 . . . A 27 ILE C . 19531 1 390 . 1 1 27 27 ILE CA C 13 65.539 0.1000 . 1 . . . A 27 ILE CA . 19531 1 391 . 1 1 27 27 ILE CB C 13 36.861 0.1000 . 1 . . . A 27 ILE CB . 19531 1 392 . 1 1 27 27 ILE CG1 C 13 28.856 0.1000 . 1 . . . A 27 ILE CG1 . 19531 1 393 . 1 1 27 27 ILE CG2 C 13 16.606 0.1000 . 1 . . . A 27 ILE CG2 . 19531 1 394 . 1 1 27 27 ILE CD1 C 13 12.724 0.1000 . 1 . . . A 27 ILE CD1 . 19531 1 395 . 1 1 27 27 ILE N N 15 123.026 0.1000 . 1 . . . A 27 ILE N . 19531 1 396 . 1 1 28 28 LEU H H 1 8.700 0.0100 . 1 . . . A 28 LEU H . 19531 1 397 . 1 1 28 28 LEU HA H 1 3.967 0.0100 . 1 . . . A 28 LEU HA . 19531 1 398 . 1 1 28 28 LEU HB2 H 1 1.902 0.0100 . 2 . . . A 28 LEU HB2 . 19531 1 399 . 1 1 28 28 LEU HB3 H 1 1.538 0.0100 . 2 . . . A 28 LEU HB3 . 19531 1 400 . 1 1 28 28 LEU HG H 1 1.832 0.0100 . 1 . . . A 28 LEU HG . 19531 1 401 . 1 1 28 28 LEU HD11 H 1 0.850 0.0100 . 2 . . . A 28 LEU HD11 . 19531 1 402 . 1 1 28 28 LEU HD12 H 1 0.850 0.0100 . 2 . . . A 28 LEU HD12 . 19531 1 403 . 1 1 28 28 LEU HD13 H 1 0.850 0.0100 . 2 . . . A 28 LEU HD13 . 19531 1 404 . 1 1 28 28 LEU HD21 H 1 0.847 0.0100 . 2 . . . A 28 LEU HD21 . 19531 1 405 . 1 1 28 28 LEU HD22 H 1 0.847 0.0100 . 2 . . . A 28 LEU HD22 . 19531 1 406 . 1 1 28 28 LEU HD23 H 1 0.847 0.0100 . 2 . . . A 28 LEU HD23 . 19531 1 407 . 1 1 28 28 LEU C C 13 178.275 0.1000 . 1 . . . A 28 LEU C . 19531 1 408 . 1 1 28 28 LEU CA C 13 57.711 0.1000 . 1 . . . A 28 LEU CA . 19531 1 409 . 1 1 28 28 LEU CB C 13 40.858 0.1000 . 1 . . . A 28 LEU CB . 19531 1 410 . 1 1 28 28 LEU CG C 13 26.524 0.1000 . 1 . . . A 28 LEU CG . 19531 1 411 . 1 1 28 28 LEU CD1 C 13 24.662 0.1000 . 1 . . . A 28 LEU CD1 . 19531 1 412 . 1 1 28 28 LEU CD2 C 13 22.906 0.1000 . 1 . . . A 28 LEU CD2 . 19531 1 413 . 1 1 28 28 LEU N N 15 120.208 0.1000 . 1 . . . A 28 LEU N . 19531 1 414 . 1 1 29 29 ARG H H 1 8.401 0.0100 . 1 . . . A 29 ARG H . 19531 1 415 . 1 1 29 29 ARG HA H 1 3.992 0.0100 . 1 . . . A 29 ARG HA . 19531 1 416 . 1 1 29 29 ARG HB2 H 1 1.998 0.0100 . 2 . . . A 29 ARG HB2 . 19531 1 417 . 1 1 29 29 ARG HB3 H 1 1.940 0.0100 . 2 . . . A 29 ARG HB3 . 19531 1 418 . 1 1 29 29 ARG HG2 H 1 1.812 0.0100 . 2 . . . A 29 ARG HG2 . 19531 1 419 . 1 1 29 29 ARG HG3 H 1 1.716 0.0100 . 2 . . . A 29 ARG HG3 . 19531 1 420 . 1 1 29 29 ARG HD2 H 1 3.052 0.0100 . 2 . . . A 29 ARG HD2 . 19531 1 421 . 1 1 29 29 ARG HD3 H 1 3.114 0.0100 . 2 . . . A 29 ARG HD3 . 19531 1 422 . 1 1 29 29 ARG HE H 1 7.718 0.0100 . 1 . . . A 29 ARG HE . 19531 1 423 . 1 1 29 29 ARG HH21 H 1 6.932 0.0100 . 1 . . . A 29 ARG HH21 . 19531 1 424 . 1 1 29 29 ARG HH22 H 1 6.932 0.0100 . 1 . . . A 29 ARG HH22 . 19531 1 425 . 1 1 29 29 ARG C C 13 177.555 0.1000 . 1 . . . A 29 ARG C . 19531 1 426 . 1 1 29 29 ARG CA C 13 58.169 0.1000 . 1 . . . A 29 ARG CA . 19531 1 427 . 1 1 29 29 ARG CB C 13 29.514 0.1000 . 1 . . . A 29 ARG CB . 19531 1 428 . 1 1 29 29 ARG CG C 13 27.017 0.1000 . 1 . . . A 29 ARG CG . 19531 1 429 . 1 1 29 29 ARG CD C 13 42.814 0.1000 . 1 . . . A 29 ARG CD . 19531 1 430 . 1 1 29 29 ARG N N 15 117.024 0.1000 . 1 . . . A 29 ARG N . 19531 1 431 . 1 1 29 29 ARG NE N 15 84.295 0.1000 . 1 . . . A 29 ARG NE . 19531 1 432 . 1 1 29 29 ARG NH2 N 15 72.508 0.1000 . 1 . . . A 29 ARG NH2 . 19531 1 433 . 1 1 30 30 THR H H 1 7.920 0.0100 . 1 . . . A 30 THR H . 19531 1 434 . 1 1 30 30 THR HA H 1 3.989 0.0100 . 1 . . . A 30 THR HA . 19531 1 435 . 1 1 30 30 THR HB H 1 4.333 0.0100 . 1 . . . A 30 THR HB . 19531 1 436 . 1 1 30 30 THR HG21 H 1 1.226 0.0100 . 1 . . . A 30 THR HG21 . 19531 1 437 . 1 1 30 30 THR HG22 H 1 1.226 0.0100 . 1 . . . A 30 THR HG22 . 19531 1 438 . 1 1 30 30 THR HG23 H 1 1.226 0.0100 . 1 . . . A 30 THR HG23 . 19531 1 439 . 1 1 30 30 THR C C 13 175.667 0.1000 . 1 . . . A 30 THR C . 19531 1 440 . 1 1 30 30 THR CA C 13 65.901 0.1000 . 1 . . . A 30 THR CA . 19531 1 441 . 1 1 30 30 THR CB C 13 68.152 0.1000 . 1 . . . A 30 THR CB . 19531 1 442 . 1 1 30 30 THR CG2 C 13 21.094 0.1000 . 1 . . . A 30 THR CG2 . 19531 1 443 . 1 1 30 30 THR N N 15 115.290 0.1000 . 1 . . . A 30 THR N . 19531 1 444 . 1 1 31 31 VAL H H 1 8.296 0.0100 . 1 . . . A 31 VAL H . 19531 1 445 . 1 1 31 31 VAL HA H 1 3.796 0.0100 . 1 . . . A 31 VAL HA . 19531 1 446 . 1 1 31 31 VAL HB H 1 2.219 0.0100 . 1 . . . A 31 VAL HB . 19531 1 447 . 1 1 31 31 VAL HG11 H 1 0.950 0.0100 . 2 . . . A 31 VAL HG11 . 19531 1 448 . 1 1 31 31 VAL HG12 H 1 0.950 0.0100 . 2 . . . A 31 VAL HG12 . 19531 1 449 . 1 1 31 31 VAL HG13 H 1 0.950 0.0100 . 2 . . . A 31 VAL HG13 . 19531 1 450 . 1 1 31 31 VAL HG21 H 1 1.038 0.0100 . 2 . . . A 31 VAL HG21 . 19531 1 451 . 1 1 31 31 VAL HG22 H 1 1.038 0.0100 . 2 . . . A 31 VAL HG22 . 19531 1 452 . 1 1 31 31 VAL HG23 H 1 1.038 0.0100 . 2 . . . A 31 VAL HG23 . 19531 1 453 . 1 1 31 31 VAL C C 13 176.518 0.1000 . 1 . . . A 31 VAL C . 19531 1 454 . 1 1 31 31 VAL CA C 13 64.691 0.1000 . 1 . . . A 31 VAL CA . 19531 1 455 . 1 1 31 31 VAL CB C 13 31.135 0.1000 . 1 . . . A 31 VAL CB . 19531 1 456 . 1 1 31 31 VAL CG1 C 13 20.956 0.1000 . 1 . . . A 31 VAL CG1 . 19531 1 457 . 1 1 31 31 VAL CG2 C 13 21.580 0.1000 . 1 . . . A 31 VAL CG2 . 19531 1 458 . 1 1 31 31 VAL N N 15 120.275 0.1000 . 1 . . . A 31 VAL N . 19531 1 459 . 1 1 32 32 LYS H H 1 8.028 0.0100 . 1 . . . A 32 LYS H . 19531 1 460 . 1 1 32 32 LYS HA H 1 4.146 0.0100 . 1 . . . A 32 LYS HA . 19531 1 461 . 1 1 32 32 LYS HB2 H 1 1.926 0.0100 . 2 . . . A 32 LYS HB2 . 19531 1 462 . 1 1 32 32 LYS HB3 H 1 1.855 0.0100 . 2 . . . A 32 LYS HB3 . 19531 1 463 . 1 1 32 32 LYS HG2 H 1 1.493 0.0100 . 1 . . . A 32 LYS HG2 . 19531 1 464 . 1 1 32 32 LYS HD2 H 1 1.696 0.0100 . 1 . . . A 32 LYS HD2 . 19531 1 465 . 1 1 32 32 LYS HD3 H 1 1.696 0.0100 . 1 . . . A 32 LYS HD3 . 19531 1 466 . 1 1 32 32 LYS HE2 H 1 2.965 0.0100 . 1 . . . A 32 LYS HE2 . 19531 1 467 . 1 1 32 32 LYS HE3 H 1 2.965 0.0100 . 1 . . . A 32 LYS HE3 . 19531 1 468 . 1 1 32 32 LYS C C 13 177.183 0.1000 . 1 . . . A 32 LYS C . 19531 1 469 . 1 1 32 32 LYS CA C 13 57.363 0.1000 . 1 . . . A 32 LYS CA . 19531 1 470 . 1 1 32 32 LYS CB C 13 31.916 0.1000 . 1 . . . A 32 LYS CB . 19531 1 471 . 1 1 32 32 LYS CG C 13 24.316 0.1000 . 1 . . . A 32 LYS CG . 19531 1 472 . 1 1 32 32 LYS CD C 13 28.548 0.1000 . 1 . . . A 32 LYS CD . 19531 1 473 . 1 1 32 32 LYS CE C 13 41.232 0.1000 . 1 . . . A 32 LYS CE . 19531 1 474 . 1 1 32 32 LYS N N 15 120.070 0.1000 . 1 . . . A 32 LYS N . 19531 1 475 . 1 1 33 33 ARG H H 1 7.862 0.0100 . 1 . . . A 33 ARG H . 19531 1 476 . 1 1 33 33 ARG HA H 1 4.225 0.0100 . 1 . . . A 33 ARG HA . 19531 1 477 . 1 1 33 33 ARG HB2 H 1 1.942 0.0100 . 2 . . . A 33 ARG HB2 . 19531 1 478 . 1 1 33 33 ARG HB3 H 1 1.894 0.0100 . 2 . . . A 33 ARG HB3 . 19531 1 479 . 1 1 33 33 ARG HG2 H 1 1.754 0.0100 . 2 . . . A 33 ARG HG2 . 19531 1 480 . 1 1 33 33 ARG HG3 H 1 1.694 0.0100 . 2 . . . A 33 ARG HG3 . 19531 1 481 . 1 1 33 33 ARG HD2 H 1 3.217 0.0100 . 1 . . . A 33 ARG HD2 . 19531 1 482 . 1 1 33 33 ARG HD3 H 1 3.217 0.0100 . 1 . . . A 33 ARG HD3 . 19531 1 483 . 1 1 33 33 ARG HE H 1 7.417 0.0100 . 1 . . . A 33 ARG HE . 19531 1 484 . 1 1 33 33 ARG HH21 H 1 6.853 0.0100 . 1 . . . A 33 ARG HH21 . 19531 1 485 . 1 1 33 33 ARG HH22 H 1 6.853 0.0100 . 1 . . . A 33 ARG HH22 . 19531 1 486 . 1 1 33 33 ARG C C 13 176.780 0.1000 . 1 . . . A 33 ARG C . 19531 1 487 . 1 1 33 33 ARG CA C 13 56.612 0.1000 . 1 . . . A 33 ARG CA . 19531 1 488 . 1 1 33 33 ARG CB C 13 29.738 0.1000 . 1 . . . A 33 ARG CB . 19531 1 489 . 1 1 33 33 ARG CG C 13 26.728 0.1000 . 1 . . . A 33 ARG CG . 19531 1 490 . 1 1 33 33 ARG CD C 13 42.891 0.1000 . 1 . . . A 33 ARG CD . 19531 1 491 . 1 1 33 33 ARG N N 15 119.397 0.1000 . 1 . . . A 33 ARG N . 19531 1 492 . 1 1 33 33 ARG NE N 15 84.966 0.1000 . 1 . . . A 33 ARG NE . 19531 1 493 . 1 1 33 33 ARG NH2 N 15 72.343 0.1000 . 1 . . . A 33 ARG NH2 . 19531 1 494 . 1 1 34 34 ALA H H 1 8.083 0.0100 . 1 . . . A 34 ALA H . 19531 1 495 . 1 1 34 34 ALA HA H 1 4.277 0.0100 . 1 . . . A 34 ALA HA . 19531 1 496 . 1 1 34 34 ALA HB1 H 1 1.449 0.0100 . 1 . . . A 34 ALA HB1 . 19531 1 497 . 1 1 34 34 ALA HB2 H 1 1.449 0.0100 . 1 . . . A 34 ALA HB2 . 19531 1 498 . 1 1 34 34 ALA HB3 H 1 1.449 0.0100 . 1 . . . A 34 ALA HB3 . 19531 1 499 . 1 1 34 34 ALA C C 13 177.085 0.1000 . 1 . . . A 34 ALA C . 19531 1 500 . 1 1 34 34 ALA CA C 13 52.589 0.1000 . 1 . . . A 34 ALA CA . 19531 1 501 . 1 1 34 34 ALA CB C 13 18.354 0.1000 . 1 . . . A 34 ALA CB . 19531 1 502 . 1 1 34 34 ALA N N 15 123.007 0.1000 . 1 . . . A 34 ALA N . 19531 1 503 . 1 1 35 35 ASN H H 1 8.042 0.0100 . 1 . . . A 35 ASN H . 19531 1 504 . 1 1 35 35 ASN HA H 1 4.735 0.0100 . 1 . . . A 35 ASN HA . 19531 1 505 . 1 1 35 35 ASN HB2 H 1 2.738 0.0100 . 2 . . . A 35 ASN HB2 . 19531 1 506 . 1 1 35 35 ASN HB3 H 1 2.892 0.0100 . 2 . . . A 35 ASN HB3 . 19531 1 507 . 1 1 35 35 ASN HD21 H 1 7.554 0.0100 . 2 . . . A 35 ASN HD21 . 19531 1 508 . 1 1 35 35 ASN HD22 H 1 6.799 0.0100 . 2 . . . A 35 ASN HD22 . 19531 1 509 . 1 1 35 35 ASN C C 13 174.979 0.1000 . 1 . . . A 35 ASN C . 19531 1 510 . 1 1 35 35 ASN CA C 13 52.886 0.1000 . 1 . . . A 35 ASN CA . 19531 1 511 . 1 1 35 35 ASN CB C 13 38.827 0.1000 . 1 . . . A 35 ASN CB . 19531 1 512 . 1 1 35 35 ASN CG C 13 176.485 0.1000 . 1 . . . A 35 ASN CG . 19531 1 513 . 1 1 35 35 ASN N N 15 116.331 0.1000 . 1 . . . A 35 ASN N . 19531 1 514 . 1 1 35 35 ASN ND2 N 15 112.142 0.1000 . 1 . . . A 35 ASN ND2 . 19531 1 515 . 1 1 36 36 GLY H H 1 8.063 0.0100 . 1 . . . A 36 GLY H . 19531 1 516 . 1 1 36 36 GLY HA2 H 1 3.931 0.0100 . 2 . . . A 36 GLY HA2 . 19531 1 517 . 1 1 36 36 GLY HA3 H 1 4.025 0.0100 . 2 . . . A 36 GLY HA3 . 19531 1 518 . 1 1 36 36 GLY C C 13 173.211 0.1000 . 1 . . . A 36 GLY C . 19531 1 519 . 1 1 36 36 GLY CA C 13 44.953 0.1000 . 1 . . . A 36 GLY CA . 19531 1 520 . 1 1 36 36 GLY N N 15 108.491 0.1000 . 1 . . . A 36 GLY N . 19531 1 521 . 1 1 37 37 GLY H H 1 7.928 0.0100 . 1 . . . A 37 GLY H . 19531 1 522 . 1 1 37 37 GLY HA2 H 1 3.794 0.0100 . 1 . . . A 37 GLY HA2 . 19531 1 523 . 1 1 37 37 GLY HA3 H 1 3.794 0.0100 . 1 . . . A 37 GLY HA3 . 19531 1 524 . 1 1 37 37 GLY CA C 13 45.126 0.1000 . 1 . . . A 37 GLY CA . 19531 1 525 . 1 1 37 37 GLY N N 15 114.182 0.1000 . 1 . . . A 37 GLY N . 19531 1 stop_ save_