data_18763 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18763 _Entry.Title ; FGFR3tm ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-04 _Entry.Accession_date 2012-10-04 _Entry.Last_release_date . _Entry.Original_release_date . _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 SOLUTION _Entry.Details 'dimer of transmembrane domain of human fibroblast growth factor receptor 3' _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 Dmitry Lesovoy . M. . 18763 2 Eduard Bocharov . V. . 18763 3 Sergey Goncharuk . A. . 18763 4 Alexander Arseniev . S. . 18763 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' . 18763 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID dimerization . 18763 FGFR3 . 18763 FGFR3tm . 18763 'fibroblast growth factor receptor 3' . 18763 'transmembrane domain' . 18763 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18763 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 189 18763 '15N chemical shifts' 47 18763 '1H chemical shifts' 322 18763 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 3 . . 2014-02-17 2012-10-04 update BMRB 'update entry citation' 18763 2 . . 2013-10-24 2012-10-04 update author 'update entry citation' 18763 1 . . 2013-10-04 2012-10-04 original author 'original release' 18763 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18763 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24120763 _Citation.Full_citation . _Citation.Title 'Structure of FGFR3 transmembrane domain dimer: implications for signaling and human pathologies.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 21 _Citation.Journal_issue 11 _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 2087 _Citation.Page_last 2093 _Citation.Year 2013 _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 Eduard Bocharov . V. . 18763 1 2 Dmitry Lesovoy . M. . 18763 1 3 Sergey Goncharuk . A. . 18763 1 4 Marina Goncharuk . V. . 18763 1 5 Kalina Hristova . . . 18763 1 6 Alexander Arseniev . S. . 18763 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18763 _Assembly.ID 1 _Assembly.Name FGFR3tm _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 FGFR3tm_1 1 $FGFR3tm A . yes native no no . . . 18763 1 2 FGFR3tm_2 1 $FGFR3tm B . yes native no no . . . 18763 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FGFR3tm _Entity.Sf_category entity _Entity.Sf_framecode FGFR3tm _Entity.Entry_ID 18763 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FGFR3tm _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LPAEEELVEADEAGSVYAGI LSYGVGFFLFILVVAAVTLC RLR ; _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 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4604.369 _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 PDB 2LZL . Fgfr3tm . . . . . 100.00 43 100.00 100.00 2.77e-19 . . . . 18763 1 2 no DBJ BAD92678 . "fibroblast growth factor receptor 3 isoform 1 precursor variant [Homo sapiens]" . . . . . 100.00 879 100.00 100.00 6.30e-19 . . . . 18763 1 3 no DBJ BAI45440 . "fibroblast growth factor receptor 3 [synthetic construct]" . . . . . 100.00 792 100.00 100.00 5.74e-19 . . . . 18763 1 4 no DBJ BAI45449 . "fibroblast growth factor receptor 3 [synthetic construct]" . . . . . 100.00 806 100.00 100.00 5.84e-19 . . . . 18763 1 5 no GB AAA52450 . "fibroblast growth factor receptor [Homo sapiens]" . . . . . 100.00 806 100.00 100.00 5.84e-19 . . . . 18763 1 6 no GB AAA58470 . "growth factor receptor, partial [Homo sapiens]" . . . . . 100.00 731 97.67 100.00 1.48e-18 . . . . 18763 1 7 no GB AAB33323 . "fibroblast growth factor receptor 3, partial [Homo sapiens]" . . . . . 90.70 55 97.44 97.44 1.96e-15 . . . . 18763 1 8 no GB AAI21176 . "FGFR3 protein, partial [Homo sapiens]" . . . . . 100.00 480 100.00 100.00 3.46e-19 . . . . 18763 1 9 no GB AAI28611 . "FGFR3 protein, partial [Homo sapiens]" . . . . . 100.00 480 100.00 100.00 3.46e-19 . . . . 18763 1 10 no REF NP_000133 . "fibroblast growth factor receptor 3 isoform 1 precursor [Homo sapiens]" . . . . . 100.00 806 100.00 100.00 5.84e-19 . . . . 18763 1 11 no REF NP_001156685 . "fibroblast growth factor receptor 3 isoform 3 precursor [Homo sapiens]" . . . . . 95.35 808 100.00 100.00 3.33e-17 . . . . 18763 1 12 no REF XP_001101108 . "PREDICTED: fibroblast growth factor receptor 3 isoform 3 [Macaca mulatta]" . . . . . 100.00 806 100.00 100.00 5.84e-19 . . . . 18763 1 13 no REF XP_002802213 . "PREDICTED: fibroblast growth factor receptor 3 [Macaca mulatta]" . . . . . 95.35 808 100.00 100.00 3.71e-17 . . . . 18763 1 14 no REF XP_003310269 . "PREDICTED: fibroblast growth factor receptor 3 isoform X5 [Pan troglodytes]" . . . . . 95.35 808 100.00 100.00 3.50e-17 . . . . 18763 1 15 no SP P22607 . "RecName: Full=Fibroblast growth factor receptor 3; Short=FGFR-3; AltName: CD_antigen=CD333; Flags: Precursor" . . . . . 100.00 806 100.00 100.00 5.84e-19 . . . . 18763 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 1 357 LEU . 18763 1 2 358 PRO . 18763 1 3 359 ALA . 18763 1 4 360 GLU . 18763 1 5 361 GLU . 18763 1 6 362 GLU . 18763 1 7 363 LEU . 18763 1 8 364 VAL . 18763 1 9 365 GLU . 18763 1 10 366 ALA . 18763 1 11 367 ASP . 18763 1 12 368 GLU . 18763 1 13 369 ALA . 18763 1 14 370 GLY . 18763 1 15 371 SER . 18763 1 16 372 VAL . 18763 1 17 373 TYR . 18763 1 18 374 ALA . 18763 1 19 375 GLY . 18763 1 20 376 ILE . 18763 1 21 377 LEU . 18763 1 22 378 SER . 18763 1 23 379 TYR . 18763 1 24 380 GLY . 18763 1 25 381 VAL . 18763 1 26 382 GLY . 18763 1 27 383 PHE . 18763 1 28 384 PHE . 18763 1 29 385 LEU . 18763 1 30 386 PHE . 18763 1 31 387 ILE . 18763 1 32 388 LEU . 18763 1 33 389 VAL . 18763 1 34 390 VAL . 18763 1 35 391 ALA . 18763 1 36 392 ALA . 18763 1 37 393 VAL . 18763 1 38 394 THR . 18763 1 39 395 LEU . 18763 1 40 396 CYS . 18763 1 41 397 ARG . 18763 1 42 398 LEU . 18763 1 43 399 ARG . 18763 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 . LEU 1 1 18763 1 . PRO 2 2 18763 1 . ALA 3 3 18763 1 . GLU 4 4 18763 1 . GLU 5 5 18763 1 . GLU 6 6 18763 1 . LEU 7 7 18763 1 . VAL 8 8 18763 1 . GLU 9 9 18763 1 . ALA 10 10 18763 1 . ASP 11 11 18763 1 . GLU 12 12 18763 1 . ALA 13 13 18763 1 . GLY 14 14 18763 1 . SER 15 15 18763 1 . VAL 16 16 18763 1 . TYR 17 17 18763 1 . ALA 18 18 18763 1 . GLY 19 19 18763 1 . ILE 20 20 18763 1 . LEU 21 21 18763 1 . SER 22 22 18763 1 . TYR 23 23 18763 1 . GLY 24 24 18763 1 . VAL 25 25 18763 1 . GLY 26 26 18763 1 . PHE 27 27 18763 1 . PHE 28 28 18763 1 . LEU 29 29 18763 1 . PHE 30 30 18763 1 . ILE 31 31 18763 1 . LEU 32 32 18763 1 . VAL 33 33 18763 1 . VAL 34 34 18763 1 . ALA 35 35 18763 1 . ALA 36 36 18763 1 . VAL 37 37 18763 1 . THR 38 38 18763 1 . LEU 39 39 18763 1 . CYS 40 40 18763 1 . ARG 41 41 18763 1 . LEU 42 42 18763 1 . ARG 43 43 18763 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 18763 _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 $FGFR3tm . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . FGFR3 . . . . . 18763 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 18763 _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 $FGFR3tm . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEMEX-1/(TRX-tmFGFR3) . . . . . . 18763 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18763 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FGFR3tm '[U-99% 13C; U-99% 15N]' . . 1 $FGFR3tm . . 0.75 . . mM . . . . 18763 1 2 FGFR3tm 'natural abundance' . . 1 $FGFR3tm . . 0.75 . . mM . . . . 18763 1 3 DPC '[U-99% 2H]' . . . . . . 88 . . mM . . . . 18763 1 4 SDS '[U-99% 2H]' . . . . . . 10 . . mM . . . . 18763 1 5 'sodium azide' 'natural abundance' . . . . . . 0.3 . . mM . . . . 18763 1 6 TCEP 'natural abundance' . . . . . . 6 . . mM . . . . 18763 1 7 'citric acid' 'natural abundance' . . . . . . 5 . . mM . . . . 18763 1 8 Na2HPO4 'natural abundance' . . . . . . 15 . . mM . . . . 18763 1 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18763 1 10 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18763 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 18763 _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 18763 1 pH 5.7 . pH 18763 1 pressure 1 . atm 18763 1 temperature 313 . K 18763 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18763 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details 'Linux version' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' 'Institute of Biophysical Chemistry and the Frankfurt Institute of Advanced Studies (FIAS) of the Goethe University Frankfurt am Main' http://www.cyana.org/wiki/index.php/Main_Page 18763 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18763 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18763 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details 'Linux version' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' ; Institute of Molecular Biology and Biophysics, ETH Z rich rkeller@nmr.ch ; http://cara.nmr.ch/doku.php 18763 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18763 2 stop_ save_ save_Mathematica _Software.Sf_category software _Software.Sf_framecode Mathematica _Software.Entry_ID 18763 _Software.ID 3 _Software.Name Mathematica _Software.Version . _Software.Details 'Linux version' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wolfram Research' . http://www.wolfram.com/mathematica/ 18763 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18763 3 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 18763 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18763 _NMR_spectrometer.ID 2 _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 18763 _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 . 800 . . . 18763 1 2 spectrometer_2 Bruker Avance . 600 . . . 18763 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 18763 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18763 1 2 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18763 1 3 '2D 1H-13C constant time HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18763 1 4 '2D 1H-13C constant time HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18763 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18763 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18763 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18763 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18763 1 9 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18763 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18763 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18763 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18763 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18763 1 14 15N,13C-F1-filtered/F3-edited-NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18763 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 18763 _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 . . . . . . . . . 18763 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18763 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18763 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 18763 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18763 1 2 '2D 1H-15N TROSY' . . . 18763 1 3 '2D 1H-13C constant time HSQC aliphatic' . . . 18763 1 4 '2D 1H-13C constant time HSQC aromatic' . . . 18763 1 5 '3D HNCO' . . . 18763 1 6 '3D HNCA' . . . 18763 1 7 '3D HN(CO)CA' . . . 18763 1 8 '3D HNHA' . . . 18763 1 9 '3D HNHB' . . . 18763 1 10 '3D HCCH-TOCSY' . . . 18763 1 13 '3D 1H-13C NOESY aromatic' . . . 18763 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 LEU HA H 1 4.232 0.020 . 1 . . . A 357 LEU HA . 18763 1 2 . 1 1 1 1 LEU HB2 H 1 1.839 0.020 . 1 . . . A 357 LEU HB2 . 18763 1 3 . 1 1 1 1 LEU HB3 H 1 1.839 0.020 . 1 . . . A 357 LEU HB3 . 18763 1 4 . 1 1 1 1 LEU HG H 1 1.832 0.020 . 1 . . . A 357 LEU HG . 18763 1 5 . 1 1 1 1 LEU HD11 H 1 1.080 0.020 . 1 . . . A 357 LEU HD11 . 18763 1 6 . 1 1 1 1 LEU HD12 H 1 1.080 0.020 . 1 . . . A 357 LEU HD12 . 18763 1 7 . 1 1 1 1 LEU HD13 H 1 1.080 0.020 . 1 . . . A 357 LEU HD13 . 18763 1 8 . 1 1 1 1 LEU HD21 H 1 1.071 0.020 . 1 . . . A 357 LEU HD21 . 18763 1 9 . 1 1 1 1 LEU HD22 H 1 1.071 0.020 . 1 . . . A 357 LEU HD22 . 18763 1 10 . 1 1 1 1 LEU HD23 H 1 1.071 0.020 . 1 . . . A 357 LEU HD23 . 18763 1 11 . 1 1 1 1 LEU CA C 13 56.339 0.400 . 1 . . . A 357 LEU CA . 18763 1 12 . 1 1 1 1 LEU CB C 13 41.272 0.400 . 1 . . . A 357 LEU CB . 18763 1 13 . 1 1 1 1 LEU CG C 13 25.957 0.400 . 1 . . . A 357 LEU CG . 18763 1 14 . 1 1 1 1 LEU CD1 C 13 23.155 0.400 . 1 . . . A 357 LEU CD1 . 18763 1 15 . 1 1 1 1 LEU CD2 C 13 24.739 0.400 . 1 . . . A 357 LEU CD2 . 18763 1 16 . 1 1 2 2 PRO HA H 1 4.497 0.020 . 1 . . . A 358 PRO HA . 18763 1 17 . 1 1 2 2 PRO HB2 H 1 2.353 0.020 . 1 . . . A 358 PRO HB2 . 18763 1 18 . 1 1 2 2 PRO HB3 H 1 1.870 0.020 . 1 . . . A 358 PRO HB3 . 18763 1 19 . 1 1 2 2 PRO HG2 H 1 2.092 0.020 . 1 . . . A 358 PRO HG2 . 18763 1 20 . 1 1 2 2 PRO HG3 H 1 2.092 0.020 . 1 . . . A 358 PRO HG3 . 18763 1 21 . 1 1 2 2 PRO HD2 H 1 3.797 0.020 . 1 . . . A 358 PRO HD2 . 18763 1 22 . 1 1 2 2 PRO HD3 H 1 3.487 0.020 . 1 . . . A 358 PRO HD3 . 18763 1 23 . 1 1 2 2 PRO C C 13 175.369 0.400 . 1 . . . A 358 PRO C . 18763 1 24 . 1 1 2 2 PRO CA C 13 62.556 0.400 . 1 . . . A 358 PRO CA . 18763 1 25 . 1 1 2 2 PRO CB C 13 31.352 0.400 . 1 . . . A 358 PRO CB . 18763 1 26 . 1 1 2 2 PRO CG C 13 26.985 0.400 . 1 . . . A 358 PRO CG . 18763 1 27 . 1 1 2 2 PRO CD C 13 49.867 0.400 . 1 . . . A 358 PRO CD . 18763 1 28 . 1 1 3 3 ALA H H 1 8.342 0.020 . 1 . . . A 359 ALA H . 18763 1 29 . 1 1 3 3 ALA HA H 1 4.247 0.020 . 1 . . . A 359 ALA HA . 18763 1 30 . 1 1 3 3 ALA HB1 H 1 1.483 0.020 . 1 . . . A 359 ALA HB1 . 18763 1 31 . 1 1 3 3 ALA HB2 H 1 1.483 0.020 . 1 . . . A 359 ALA HB2 . 18763 1 32 . 1 1 3 3 ALA HB3 H 1 1.483 0.020 . 1 . . . A 359 ALA HB3 . 18763 1 33 . 1 1 3 3 ALA C C 13 177.476 0.400 . 1 . . . A 359 ALA C . 18763 1 34 . 1 1 3 3 ALA CA C 13 52.308 0.400 . 1 . . . A 359 ALA CA . 18763 1 35 . 1 1 3 3 ALA CB C 13 18.465 0.400 . 1 . . . A 359 ALA CB . 18763 1 36 . 1 1 3 3 ALA N N 15 123.676 0.400 . 1 . . . A 359 ALA N . 18763 1 37 . 1 1 4 4 GLU H H 1 8.401 0.020 . 1 . . . A 360 GLU H . 18763 1 38 . 1 1 4 4 GLU HA H 1 4.150 0.020 . 1 . . . A 360 GLU HA . 18763 1 39 . 1 1 4 4 GLU HB2 H 1 1.962 0.020 . 1 . . . A 360 GLU HB2 . 18763 1 40 . 1 1 4 4 GLU HB3 H 1 2.039 0.020 . 1 . . . A 360 GLU HB3 . 18763 1 41 . 1 1 4 4 GLU HG2 H 1 2.251 0.020 . 1 . . . A 360 GLU HG2 . 18763 1 42 . 1 1 4 4 GLU HG3 H 1 2.211 0.020 . 1 . . . A 360 GLU HG3 . 18763 1 43 . 1 1 4 4 GLU C C 13 176.229 0.400 . 1 . . . A 360 GLU C . 18763 1 44 . 1 1 4 4 GLU CA C 13 56.903 0.400 . 1 . . . A 360 GLU CA . 18763 1 45 . 1 1 4 4 GLU CB C 13 28.168 0.400 . 1 . . . A 360 GLU CB . 18763 1 46 . 1 1 4 4 GLU CG C 13 33.793 0.400 . 1 . . . A 360 GLU CG . 18763 1 47 . 1 1 4 4 GLU N N 15 119.142 0.400 . 1 . . . A 360 GLU N . 18763 1 48 . 1 1 5 5 GLU H H 1 8.303 0.020 . 1 . . . A 361 GLU H . 18763 1 49 . 1 1 5 5 GLU HA H 1 4.181 0.020 . 1 . . . A 361 GLU HA . 18763 1 50 . 1 1 5 5 GLU HB2 H 1 2.031 0.020 . 1 . . . A 361 GLU HB2 . 18763 1 51 . 1 1 5 5 GLU HB3 H 1 1.914 0.020 . 1 . . . A 361 GLU HB3 . 18763 1 52 . 1 1 5 5 GLU HG2 H 1 2.342 0.020 . 1 . . . A 361 GLU HG2 . 18763 1 53 . 1 1 5 5 GLU HG3 H 1 2.342 0.020 . 1 . . . A 361 GLU HG3 . 18763 1 54 . 1 1 5 5 GLU C C 13 175.868 0.400 . 1 . . . A 361 GLU C . 18763 1 55 . 1 1 5 5 GLU CA C 13 56.465 0.400 . 1 . . . A 361 GLU CA . 18763 1 56 . 1 1 5 5 GLU CB C 13 28.033 0.400 . 1 . . . A 361 GLU CB . 18763 1 57 . 1 1 5 5 GLU CG C 13 34.440 0.400 . 1 . . . A 361 GLU CG . 18763 1 58 . 1 1 5 5 GLU N N 15 119.676 0.400 . 1 . . . A 361 GLU N . 18763 1 59 . 1 1 6 6 GLU H H 1 8.058 0.020 . 1 . . . A 362 GLU H . 18763 1 60 . 1 1 6 6 GLU HA H 1 4.201 0.020 . 1 . . . A 362 GLU HA . 18763 1 61 . 1 1 6 6 GLU HB2 H 1 2.054 0.020 . 1 . . . A 362 GLU HB2 . 18763 1 62 . 1 1 6 6 GLU HB3 H 1 2.054 0.020 . 1 . . . A 362 GLU HB3 . 18763 1 63 . 1 1 6 6 GLU HG2 H 1 2.336 0.020 . 1 . . . A 362 GLU HG2 . 18763 1 64 . 1 1 6 6 GLU HG3 H 1 2.336 0.020 . 1 . . . A 362 GLU HG3 . 18763 1 65 . 1 1 6 6 GLU C C 13 175.757 0.400 . 1 . . . A 362 GLU C . 18763 1 66 . 1 1 6 6 GLU CA C 13 56.222 0.400 . 1 . . . A 362 GLU CA . 18763 1 67 . 1 1 6 6 GLU CB C 13 28.458 0.400 . 1 . . . A 362 GLU CB . 18763 1 68 . 1 1 6 6 GLU CG C 13 34.446 0.400 . 1 . . . A 362 GLU CG . 18763 1 69 . 1 1 6 6 GLU N N 15 120.421 0.400 . 1 . . . A 362 GLU N . 18763 1 70 . 1 1 7 7 LEU H H 1 8.013 0.020 . 1 . . . A 363 LEU H . 18763 1 71 . 1 1 7 7 LEU HA H 1 4.234 0.020 . 1 . . . A 363 LEU HA . 18763 1 72 . 1 1 7 7 LEU HB2 H 1 1.764 0.020 . 1 . . . A 363 LEU HB2 . 18763 1 73 . 1 1 7 7 LEU HB3 H 1 1.764 0.020 . 1 . . . A 363 LEU HB3 . 18763 1 74 . 1 1 7 7 LEU HG H 1 1.832 0.020 . 1 . . . A 363 LEU HG . 18763 1 75 . 1 1 7 7 LEU HD11 H 1 1.063 0.020 . 1 . . . A 363 LEU HD11 . 18763 1 76 . 1 1 7 7 LEU HD12 H 1 1.063 0.020 . 1 . . . A 363 LEU HD12 . 18763 1 77 . 1 1 7 7 LEU HD13 H 1 1.063 0.020 . 1 . . . A 363 LEU HD13 . 18763 1 78 . 1 1 7 7 LEU HD21 H 1 1.072 0.020 . 1 . . . A 363 LEU HD21 . 18763 1 79 . 1 1 7 7 LEU HD22 H 1 1.072 0.020 . 1 . . . A 363 LEU HD22 . 18763 1 80 . 1 1 7 7 LEU HD23 H 1 1.072 0.020 . 1 . . . A 363 LEU HD23 . 18763 1 81 . 1 1 7 7 LEU C C 13 176.450 0.400 . 1 . . . A 363 LEU C . 18763 1 82 . 1 1 7 7 LEU CA C 13 56.201 0.400 . 1 . . . A 363 LEU CA . 18763 1 83 . 1 1 7 7 LEU CB C 13 41.301 0.400 . 1 . . . A 363 LEU CB . 18763 1 84 . 1 1 7 7 LEU CG C 13 25.897 0.400 . 1 . . . A 363 LEU CG . 18763 1 85 . 1 1 7 7 LEU CD1 C 13 24.739 0.400 . 1 . . . A 363 LEU CD1 . 18763 1 86 . 1 1 7 7 LEU CD2 C 13 23.155 0.400 . 1 . . . A 363 LEU CD2 . 18763 1 87 . 1 1 7 7 LEU N N 15 122.513 0.400 . 1 . . . A 363 LEU N . 18763 1 88 . 1 1 8 8 VAL H H 1 7.888 0.020 . 1 . . . A 364 VAL H . 18763 1 89 . 1 1 8 8 VAL HA H 1 4.075 0.020 . 1 . . . A 364 VAL HA . 18763 1 90 . 1 1 8 8 VAL HB H 1 2.067 0.020 . 1 . . . A 364 VAL HB . 18763 1 91 . 1 1 8 8 VAL HG11 H 1 1.022 0.020 . 1 . . . A 364 VAL HG11 . 18763 1 92 . 1 1 8 8 VAL HG12 H 1 1.022 0.020 . 1 . . . A 364 VAL HG12 . 18763 1 93 . 1 1 8 8 VAL HG13 H 1 1.022 0.020 . 1 . . . A 364 VAL HG13 . 18763 1 94 . 1 1 8 8 VAL HG21 H 1 1.020 0.020 . 1 . . . A 364 VAL HG21 . 18763 1 95 . 1 1 8 8 VAL HG22 H 1 1.020 0.020 . 1 . . . A 364 VAL HG22 . 18763 1 96 . 1 1 8 8 VAL HG23 H 1 1.020 0.020 . 1 . . . A 364 VAL HG23 . 18763 1 97 . 1 1 8 8 VAL C C 13 175.503 0.400 . 1 . . . A 364 VAL C . 18763 1 98 . 1 1 8 8 VAL CA C 13 61.769 0.400 . 1 . . . A 364 VAL CA . 18763 1 99 . 1 1 8 8 VAL CB C 13 32.058 0.400 . 1 . . . A 364 VAL CB . 18763 1 100 . 1 1 8 8 VAL CG1 C 13 20.693 0.400 . 1 . . . A 364 VAL CG1 . 18763 1 101 . 1 1 8 8 VAL CG2 C 13 20.667 0.400 . 1 . . . A 364 VAL CG2 . 18763 1 102 . 1 1 8 8 VAL N N 15 119.958 0.400 . 1 . . . A 364 VAL N . 18763 1 103 . 1 1 9 9 GLU H H 1 8.243 0.020 . 1 . . . A 365 GLU H . 18763 1 104 . 1 1 9 9 GLU HA H 1 4.221 0.020 . 1 . . . A 365 GLU HA . 18763 1 105 . 1 1 9 9 GLU HB2 H 1 2.039 0.020 . 1 . . . A 365 GLU HB2 . 18763 1 106 . 1 1 9 9 GLU HB3 H 1 1.906 0.020 . 1 . . . A 365 GLU HB3 . 18763 1 107 . 1 1 9 9 GLU HG2 H 1 2.378 0.020 . 1 . . . A 365 GLU HG2 . 18763 1 108 . 1 1 9 9 GLU HG3 H 1 2.378 0.020 . 1 . . . A 365 GLU HG3 . 18763 1 109 . 1 1 9 9 GLU C C 13 175.586 0.400 . 1 . . . A 365 GLU C . 18763 1 110 . 1 1 9 9 GLU CA C 13 55.814 0.400 . 1 . . . A 365 GLU CA . 18763 1 111 . 1 1 9 9 GLU CB C 13 28.917 0.400 . 1 . . . A 365 GLU CB . 18763 1 112 . 1 1 9 9 GLU CG C 13 33.862 0.400 . 1 . . . A 365 GLU CG . 18763 1 113 . 1 1 9 9 GLU N N 15 123.770 0.400 . 1 . . . A 365 GLU N . 18763 1 114 . 1 1 10 10 ALA H H 1 8.172 0.020 . 1 . . . A 366 ALA H . 18763 1 115 . 1 1 10 10 ALA HA H 1 4.251 0.020 . 1 . . . A 366 ALA HA . 18763 1 116 . 1 1 10 10 ALA HB1 H 1 1.454 0.020 . 1 . . . A 366 ALA HB1 . 18763 1 117 . 1 1 10 10 ALA HB2 H 1 1.454 0.020 . 1 . . . A 366 ALA HB2 . 18763 1 118 . 1 1 10 10 ALA HB3 H 1 1.454 0.020 . 1 . . . A 366 ALA HB3 . 18763 1 119 . 1 1 10 10 ALA C C 13 176.891 0.400 . 1 . . . A 366 ALA C . 18763 1 120 . 1 1 10 10 ALA CA C 13 52.288 0.400 . 1 . . . A 366 ALA CA . 18763 1 121 . 1 1 10 10 ALA CB C 13 17.273 0.400 . 1 . . . A 366 ALA CB . 18763 1 122 . 1 1 10 10 ALA N N 15 124.860 0.400 . 1 . . . A 366 ALA N . 18763 1 123 . 1 1 11 11 ASP H H 1 8.227 0.020 . 1 . . . A 367 ASP H . 18763 1 124 . 1 1 11 11 ASP HA H 1 4.541 0.020 . 1 . . . A 367 ASP HA . 18763 1 125 . 1 1 11 11 ASP HB2 H 1 2.853 0.020 . 1 . . . A 367 ASP HB2 . 18763 1 126 . 1 1 11 11 ASP HB3 H 1 2.762 0.020 . 1 . . . A 367 ASP HB3 . 18763 1 127 . 1 1 11 11 ASP C C 13 175.854 0.400 . 1 . . . A 367 ASP C . 18763 1 128 . 1 1 11 11 ASP CA C 13 54.038 0.400 . 1 . . . A 367 ASP CA . 18763 1 129 . 1 1 11 11 ASP CB C 13 38.722 0.400 . 1 . . . A 367 ASP CB . 18763 1 130 . 1 1 11 11 ASP N N 15 119.351 0.400 . 1 . . . A 367 ASP N . 18763 1 131 . 1 1 12 12 GLU H H 1 8.240 0.020 . 1 . . . A 368 GLU H . 18763 1 132 . 1 1 12 12 GLU HA H 1 4.221 0.020 . 1 . . . A 368 GLU HA . 18763 1 133 . 1 1 12 12 GLU HB2 H 1 2.058 0.020 . 1 . . . A 368 GLU HB2 . 18763 1 134 . 1 1 12 12 GLU HB3 H 1 1.934 0.020 . 1 . . . A 368 GLU HB3 . 18763 1 135 . 1 1 12 12 GLU HG2 H 1 2.498 0.020 . 1 . . . A 368 GLU HG2 . 18763 1 136 . 1 1 12 12 GLU HG3 H 1 2.403 0.020 . 1 . . . A 368 GLU HG3 . 18763 1 137 . 1 1 12 12 GLU C C 13 175.871 0.400 . 1 . . . A 368 GLU C . 18763 1 138 . 1 1 12 12 GLU CA C 13 56.153 0.400 . 1 . . . A 368 GLU CA . 18763 1 139 . 1 1 12 12 GLU CB C 13 28.058 0.400 . 1 . . . A 368 GLU CB . 18763 1 140 . 1 1 12 12 GLU CG C 13 33.349 0.400 . 1 . . . A 368 GLU CG . 18763 1 141 . 1 1 12 12 GLU N N 15 120.898 0.400 . 1 . . . A 368 GLU N . 18763 1 142 . 1 1 13 13 ALA H H 1 8.211 0.020 . 1 . . . A 369 ALA H . 18763 1 143 . 1 1 13 13 ALA HA H 1 4.200 0.020 . 1 . . . A 369 ALA HA . 18763 1 144 . 1 1 13 13 ALA HB1 H 1 1.506 0.020 . 1 . . . A 369 ALA HB1 . 18763 1 145 . 1 1 13 13 ALA HB2 H 1 1.506 0.020 . 1 . . . A 369 ALA HB2 . 18763 1 146 . 1 1 13 13 ALA HB3 H 1 1.506 0.020 . 1 . . . A 369 ALA HB3 . 18763 1 147 . 1 1 13 13 ALA C C 13 177.710 0.400 . 1 . . . A 369 ALA C . 18763 1 148 . 1 1 13 13 ALA CA C 13 53.025 0.400 . 1 . . . A 369 ALA CA . 18763 1 149 . 1 1 13 13 ALA CB C 13 18.297 0.400 . 1 . . . A 369 ALA CB . 18763 1 150 . 1 1 13 13 ALA N N 15 124.052 0.400 . 1 . . . A 369 ALA N . 18763 1 151 . 1 1 14 14 GLY H H 1 8.260 0.020 . 1 . . . A 370 GLY H . 18763 1 152 . 1 1 14 14 GLY HA2 H 1 4.035 0.020 . 1 . . . A 370 GLY HA2 . 18763 1 153 . 1 1 14 14 GLY HA3 H 1 4.035 0.020 . 1 . . . A 370 GLY HA3 . 18763 1 154 . 1 1 14 14 GLY C C 13 173.797 0.400 . 1 . . . A 370 GLY C . 18763 1 155 . 1 1 14 14 GLY CA C 13 44.925 0.400 . 1 . . . A 370 GLY CA . 18763 1 156 . 1 1 14 14 GLY N N 15 106.939 0.400 . 1 . . . A 370 GLY N . 18763 1 157 . 1 1 15 15 SER H H 1 8.031 0.020 . 1 . . . A 371 SER H . 18763 1 158 . 1 1 15 15 SER HA H 1 4.410 0.020 . 1 . . . A 371 SER HA . 18763 1 159 . 1 1 15 15 SER HB2 H 1 3.990 0.020 . 1 . . . A 371 SER HB2 . 18763 1 160 . 1 1 15 15 SER HB3 H 1 3.874 0.020 . 1 . . . A 371 SER HB3 . 18763 1 161 . 1 1 15 15 SER C C 13 175.503 0.400 . 1 . . . A 371 SER C . 18763 1 162 . 1 1 15 15 SER CA C 13 58.354 0.400 . 1 . . . A 371 SER CA . 18763 1 163 . 1 1 15 15 SER CB C 13 63.073 0.400 . 1 . . . A 371 SER CB . 18763 1 164 . 1 1 15 15 SER N N 15 115.674 0.400 . 1 . . . A 371 SER N . 18763 1 165 . 1 1 16 16 VAL H H 1 8.395 0.020 . 1 . . . A 372 VAL H . 18763 1 166 . 1 1 16 16 VAL HA H 1 3.888 0.020 . 1 . . . A 372 VAL HA . 18763 1 167 . 1 1 16 16 VAL HB H 1 2.040 0.020 . 1 . . . A 372 VAL HB . 18763 1 168 . 1 1 16 16 VAL HG11 H 1 0.848 0.020 . 1 . . . A 372 VAL HG11 . 18763 1 169 . 1 1 16 16 VAL HG12 H 1 0.848 0.020 . 1 . . . A 372 VAL HG12 . 18763 1 170 . 1 1 16 16 VAL HG13 H 1 0.848 0.020 . 1 . . . A 372 VAL HG13 . 18763 1 171 . 1 1 16 16 VAL HG21 H 1 0.966 0.020 . 1 . . . A 372 VAL HG21 . 18763 1 172 . 1 1 16 16 VAL HG22 H 1 0.966 0.020 . 1 . . . A 372 VAL HG22 . 18763 1 173 . 1 1 16 16 VAL HG23 H 1 0.966 0.020 . 1 . . . A 372 VAL HG23 . 18763 1 174 . 1 1 16 16 VAL C C 13 175.837 0.400 . 1 . . . A 372 VAL C . 18763 1 175 . 1 1 16 16 VAL CA C 13 63.667 0.400 . 1 . . . A 372 VAL CA . 18763 1 176 . 1 1 16 16 VAL CB C 13 31.136 0.400 . 1 . . . A 372 VAL CB . 18763 1 177 . 1 1 16 16 VAL CG1 C 13 20.396 0.400 . 1 . . . A 372 VAL CG1 . 18763 1 178 . 1 1 16 16 VAL CG2 C 13 20.825 0.400 . 1 . . . A 372 VAL CG2 . 18763 1 179 . 1 1 16 16 VAL N N 15 122.743 0.400 . 1 . . . A 372 VAL N . 18763 1 180 . 1 1 17 17 TYR H H 1 7.873 0.020 . 1 . . . A 373 TYR H . 18763 1 181 . 1 1 17 17 TYR HA H 1 4.360 0.020 . 1 . . . A 373 TYR HA . 18763 1 182 . 1 1 17 17 TYR HB2 H 1 3.062 0.020 . 1 . . . A 373 TYR HB2 . 18763 1 183 . 1 1 17 17 TYR HB3 H 1 2.931 0.020 . 1 . . . A 373 TYR HB3 . 18763 1 184 . 1 1 17 17 TYR HD1 H 1 7.095 0.020 . 1 . . . A 373 TYR HD1 . 18763 1 185 . 1 1 17 17 TYR HD2 H 1 7.095 0.020 . 1 . . . A 373 TYR HD2 . 18763 1 186 . 1 1 17 17 TYR HE1 H 1 6.849 0.020 . 1 . . . A 373 TYR HE1 . 18763 1 187 . 1 1 17 17 TYR HE2 H 1 6.849 0.020 . 1 . . . A 373 TYR HE2 . 18763 1 188 . 1 1 17 17 TYR C C 13 175.419 0.400 . 1 . . . A 373 TYR C . 18763 1 189 . 1 1 17 17 TYR CA C 13 58.684 0.400 . 1 . . . A 373 TYR CA . 18763 1 190 . 1 1 17 17 TYR CB C 13 37.783 0.400 . 1 . . . A 373 TYR CB . 18763 1 191 . 1 1 17 17 TYR CD1 C 13 131.957 0.400 . 1 . . . A 373 TYR CD1 . 18763 1 192 . 1 1 17 17 TYR CE1 C 13 117.793 0.400 . 1 . . . A 373 TYR CE1 . 18763 1 193 . 1 1 17 17 TYR N N 15 118.772 0.400 . 1 . . . A 373 TYR N . 18763 1 194 . 1 1 18 18 ALA H H 1 7.783 0.020 . 1 . . . A 374 ALA H . 18763 1 195 . 1 1 18 18 ALA HA H 1 4.033 0.020 . 1 . . . A 374 ALA HA . 18763 1 196 . 1 1 18 18 ALA HB1 H 1 1.544 0.020 . 1 . . . A 374 ALA HB1 . 18763 1 197 . 1 1 18 18 ALA HB2 H 1 1.544 0.020 . 1 . . . A 374 ALA HB2 . 18763 1 198 . 1 1 18 18 ALA HB3 H 1 1.544 0.020 . 1 . . . A 374 ALA HB3 . 18763 1 199 . 1 1 18 18 ALA C C 13 178.546 0.400 . 1 . . . A 374 ALA C . 18763 1 200 . 1 1 18 18 ALA CA C 13 53.955 0.400 . 1 . . . A 374 ALA CA . 18763 1 201 . 1 1 18 18 ALA CB C 13 18.175 0.400 . 1 . . . A 374 ALA CB . 18763 1 202 . 1 1 18 18 ALA N N 15 121.455 0.400 . 1 . . . A 374 ALA N . 18763 1 203 . 1 1 19 19 GLY H H 1 8.163 0.020 . 1 . . . A 375 GLY H . 18763 1 204 . 1 1 19 19 GLY HA2 H 1 4.016 0.020 . 1 . . . A 375 GLY HA2 . 18763 1 205 . 1 1 19 19 GLY HA3 H 1 4.016 0.020 . 1 . . . A 375 GLY HA3 . 18763 1 206 . 1 1 19 19 GLY C C 13 174.516 0.400 . 1 . . . A 375 GLY C . 18763 1 207 . 1 1 19 19 GLY CA C 13 45.756 0.400 . 1 . . . A 375 GLY CA . 18763 1 208 . 1 1 19 19 GLY N N 15 106.616 0.400 . 1 . . . A 375 GLY N . 18763 1 209 . 1 1 20 20 ILE H H 1 7.982 0.020 . 1 . . . A 376 ILE H . 18763 1 210 . 1 1 20 20 ILE HA H 1 4.056 0.020 . 1 . . . A 376 ILE HA . 18763 1 211 . 1 1 20 20 ILE HB H 1 1.999 0.020 . 1 . . . A 376 ILE HB . 18763 1 212 . 1 1 20 20 ILE HG12 H 1 1.713 0.020 . 1 . . . A 376 ILE HG12 . 18763 1 213 . 1 1 20 20 ILE HG13 H 1 1.185 0.020 . 1 . . . A 376 ILE HG13 . 18763 1 214 . 1 1 20 20 ILE HG21 H 1 1.019 0.020 . 1 . . . A 376 ILE HG21 . 18763 1 215 . 1 1 20 20 ILE HG22 H 1 1.019 0.020 . 1 . . . A 376 ILE HG22 . 18763 1 216 . 1 1 20 20 ILE HG23 H 1 1.019 0.020 . 1 . . . A 376 ILE HG23 . 18763 1 217 . 1 1 20 20 ILE HD11 H 1 0.954 0.020 . 1 . . . A 376 ILE HD11 . 18763 1 218 . 1 1 20 20 ILE HD12 H 1 0.954 0.020 . 1 . . . A 376 ILE HD12 . 18763 1 219 . 1 1 20 20 ILE HD13 H 1 0.954 0.020 . 1 . . . A 376 ILE HD13 . 18763 1 220 . 1 1 20 20 ILE C C 13 176.004 0.400 . 1 . . . A 376 ILE C . 18763 1 221 . 1 1 20 20 ILE CA C 13 62.911 0.400 . 1 . . . A 376 ILE CA . 18763 1 222 . 1 1 20 20 ILE CB C 13 37.656 0.400 . 1 . . . A 376 ILE CB . 18763 1 223 . 1 1 20 20 ILE CG1 C 13 28.140 0.400 . 1 . . . A 376 ILE CG1 . 18763 1 224 . 1 1 20 20 ILE CG2 C 13 17.209 0.400 . 1 . . . A 376 ILE CG2 . 18763 1 225 . 1 1 20 20 ILE CD1 C 13 13.374 0.400 . 1 . . . A 376 ILE CD1 . 18763 1 226 . 1 1 20 20 ILE N N 15 119.238 0.400 . 1 . . . A 376 ILE N . 18763 1 227 . 1 1 21 21 LEU H H 1 7.983 0.020 . 1 . . . A 377 LEU H . 18763 1 228 . 1 1 21 21 LEU HA H 1 4.084 0.020 . 1 . . . A 377 LEU HA . 18763 1 229 . 1 1 21 21 LEU HB2 H 1 1.813 0.020 . 1 . . . A 377 LEU HB2 . 18763 1 230 . 1 1 21 21 LEU HB3 H 1 1.576 0.020 . 1 . . . A 377 LEU HB3 . 18763 1 231 . 1 1 21 21 LEU HG H 1 1.700 0.020 . 1 . . . A 377 LEU HG . 18763 1 232 . 1 1 21 21 LEU HD11 H 1 0.928 0.020 . 1 . . . A 377 LEU HD11 . 18763 1 233 . 1 1 21 21 LEU HD12 H 1 0.928 0.020 . 1 . . . A 377 LEU HD12 . 18763 1 234 . 1 1 21 21 LEU HD13 H 1 0.928 0.020 . 1 . . . A 377 LEU HD13 . 18763 1 235 . 1 1 21 21 LEU HD21 H 1 0.928 0.020 . 1 . . . A 377 LEU HD21 . 18763 1 236 . 1 1 21 21 LEU HD22 H 1 0.928 0.020 . 1 . . . A 377 LEU HD22 . 18763 1 237 . 1 1 21 21 LEU HD23 H 1 0.928 0.020 . 1 . . . A 377 LEU HD23 . 18763 1 238 . 1 1 21 21 LEU C C 13 177.108 0.400 . 1 . . . A 377 LEU C . 18763 1 239 . 1 1 21 21 LEU CA C 13 56.865 0.400 . 1 . . . A 377 LEU CA . 18763 1 240 . 1 1 21 21 LEU CB C 13 41.424 0.400 . 1 . . . A 377 LEU CB . 18763 1 241 . 1 1 21 21 LEU CG C 13 26.450 0.400 . 1 . . . A 377 LEU CG . 18763 1 242 . 1 1 21 21 LEU CD1 C 13 24.499 0.400 . 1 . . . A 377 LEU CD1 . 18763 1 243 . 1 1 21 21 LEU CD2 C 13 23.177 0.400 . 1 . . . A 377 LEU CD2 . 18763 1 244 . 1 1 21 21 LEU N N 15 119.788 0.400 . 1 . . . A 377 LEU N . 18763 1 245 . 1 1 22 22 SER H H 1 7.838 0.020 . 1 . . . A 378 SER H . 18763 1 246 . 1 1 22 22 SER HA H 1 4.142 0.020 . 1 . . . A 378 SER HA . 18763 1 247 . 1 1 22 22 SER HB2 H 1 3.708 0.020 . 1 . . . A 378 SER HB2 . 18763 1 248 . 1 1 22 22 SER HB3 H 1 3.834 0.020 . 1 . . . A 378 SER HB3 . 18763 1 249 . 1 1 22 22 SER C C 13 174.985 0.400 . 1 . . . A 378 SER C . 18763 1 250 . 1 1 22 22 SER CA C 13 60.562 0.400 . 1 . . . A 378 SER CA . 18763 1 251 . 1 1 22 22 SER CB C 13 62.572 0.400 . 1 . . . A 378 SER CB . 18763 1 252 . 1 1 22 22 SER N N 15 113.794 0.400 . 1 . . . A 378 SER N . 18763 1 253 . 1 1 23 23 TYR H H 1 7.798 0.020 . 1 . . . A 379 TYR H . 18763 1 254 . 1 1 23 23 TYR HA H 1 4.298 0.020 . 1 . . . A 379 TYR HA . 18763 1 255 . 1 1 23 23 TYR HB2 H 1 2.997 0.020 . 1 . . . A 379 TYR HB2 . 18763 1 256 . 1 1 23 23 TYR HB3 H 1 2.974 0.020 . 1 . . . A 379 TYR HB3 . 18763 1 257 . 1 1 23 23 TYR HD1 H 1 7.134 0.020 . 1 . . . A 379 TYR HD1 . 18763 1 258 . 1 1 23 23 TYR HD2 H 1 7.134 0.020 . 1 . . . A 379 TYR HD2 . 18763 1 259 . 1 1 23 23 TYR HE1 H 1 6.795 0.020 . 1 . . . A 379 TYR HE1 . 18763 1 260 . 1 1 23 23 TYR HE2 H 1 6.795 0.020 . 1 . . . A 379 TYR HE2 . 18763 1 261 . 1 1 23 23 TYR C C 13 176.968 0.400 . 1 . . . A 379 TYR C . 18763 1 262 . 1 1 23 23 TYR CA C 13 59.807 0.400 . 1 . . . A 379 TYR CA . 18763 1 263 . 1 1 23 23 TYR CB C 13 37.722 0.400 . 1 . . . A 379 TYR CB . 18763 1 264 . 1 1 23 23 TYR CD1 C 13 131.947 0.400 . 1 . . . A 379 TYR CD1 . 18763 1 265 . 1 1 23 23 TYR CE1 C 13 117.452 0.400 . 1 . . . A 379 TYR CE1 . 18763 1 266 . 1 1 23 23 TYR N N 15 119.434 0.400 . 1 . . . A 379 TYR N . 18763 1 267 . 1 1 24 24 GLY H H 1 8.423 0.020 . 1 . . . A 380 GLY H . 18763 1 268 . 1 1 24 24 GLY HA2 H 1 3.791 0.020 . 1 . . . A 380 GLY HA2 . 18763 1 269 . 1 1 24 24 GLY HA3 H 1 3.791 0.020 . 1 . . . A 380 GLY HA3 . 18763 1 270 . 1 1 24 24 GLY C C 13 174.065 0.400 . 1 . . . A 380 GLY C . 18763 1 271 . 1 1 24 24 GLY CA C 13 47.252 0.400 . 1 . . . A 380 GLY CA . 18763 1 272 . 1 1 24 24 GLY N N 15 106.495 0.400 . 1 . . . A 380 GLY N . 18763 1 273 . 1 1 25 25 VAL H H 1 8.408 0.020 . 1 . . . A 381 VAL H . 18763 1 274 . 1 1 25 25 VAL HA H 1 3.760 0.020 . 1 . . . A 381 VAL HA . 18763 1 275 . 1 1 25 25 VAL HB H 1 2.217 0.020 . 1 . . . A 381 VAL HB . 18763 1 276 . 1 1 25 25 VAL HG11 H 1 1.080 0.020 . 1 . . . A 381 VAL HG11 . 18763 1 277 . 1 1 25 25 VAL HG12 H 1 1.080 0.020 . 1 . . . A 381 VAL HG12 . 18763 1 278 . 1 1 25 25 VAL HG13 H 1 1.080 0.020 . 1 . . . A 381 VAL HG13 . 18763 1 279 . 1 1 25 25 VAL HG21 H 1 1.187 0.020 . 1 . . . A 381 VAL HG21 . 18763 1 280 . 1 1 25 25 VAL HG22 H 1 1.187 0.020 . 1 . . . A 381 VAL HG22 . 18763 1 281 . 1 1 25 25 VAL HG23 H 1 1.187 0.020 . 1 . . . A 381 VAL HG23 . 18763 1 282 . 1 1 25 25 VAL C C 13 177.040 0.400 . 1 . . . A 381 VAL C . 18763 1 283 . 1 1 25 25 VAL CA C 13 66.109 0.400 . 1 . . . A 381 VAL CA . 18763 1 284 . 1 1 25 25 VAL CB C 13 30.894 0.400 . 1 . . . A 381 VAL CB . 18763 1 285 . 1 1 25 25 VAL CG1 C 13 20.963 0.400 . 1 . . . A 381 VAL CG1 . 18763 1 286 . 1 1 25 25 VAL CG2 C 13 22.665 0.400 . 1 . . . A 381 VAL CG2 . 18763 1 287 . 1 1 25 25 VAL N N 15 120.614 0.400 . 1 . . . A 381 VAL N . 18763 1 288 . 1 1 26 26 GLY H H 1 8.394 0.020 . 1 . . . A 382 GLY H . 18763 1 289 . 1 1 26 26 GLY HA2 H 1 3.951 0.020 . 1 . . . A 382 GLY HA2 . 18763 1 290 . 1 1 26 26 GLY HA3 H 1 3.951 0.020 . 1 . . . A 382 GLY HA3 . 18763 1 291 . 1 1 26 26 GLY C C 13 173.547 0.400 . 1 . . . A 382 GLY C . 18763 1 292 . 1 1 26 26 GLY CA C 13 46.933 0.400 . 1 . . . A 382 GLY CA . 18763 1 293 . 1 1 26 26 GLY N N 15 106.490 0.400 . 1 . . . A 382 GLY N . 18763 1 294 . 1 1 27 27 PHE H H 1 8.500 0.020 . 1 . . . A 383 PHE H . 18763 1 295 . 1 1 27 27 PHE HA H 1 4.282 0.020 . 1 . . . A 383 PHE HA . 18763 1 296 . 1 1 27 27 PHE HB2 H 1 3.299 0.020 . 1 . . . A 383 PHE HB2 . 18763 1 297 . 1 1 27 27 PHE HB3 H 1 3.299 0.020 . 1 . . . A 383 PHE HB3 . 18763 1 298 . 1 1 27 27 PHE HD1 H 1 7.112 0.020 . 1 . . . A 383 PHE HD1 . 18763 1 299 . 1 1 27 27 PHE HD2 H 1 7.112 0.020 . 1 . . . A 383 PHE HD2 . 18763 1 300 . 1 1 27 27 PHE HE1 H 1 7.134 0.020 . 1 . . . A 383 PHE HE1 . 18763 1 301 . 1 1 27 27 PHE HE2 H 1 7.134 0.020 . 1 . . . A 383 PHE HE2 . 18763 1 302 . 1 1 27 27 PHE HZ H 1 7.008 0.020 . 1 . . . A 383 PHE HZ . 18763 1 303 . 1 1 27 27 PHE C C 13 175.861 0.400 . 1 . . . A 383 PHE C . 18763 1 304 . 1 1 27 27 PHE CA C 13 60.779 0.400 . 1 . . . A 383 PHE CA . 18763 1 305 . 1 1 27 27 PHE CB C 13 38.669 0.400 . 1 . . . A 383 PHE CB . 18763 1 306 . 1 1 27 27 PHE CD2 C 13 131.004 0.400 . 1 . . . A 383 PHE CD2 . 18763 1 307 . 1 1 27 27 PHE CE2 C 13 129.948 0.400 . 1 . . . A 383 PHE CE2 . 18763 1 308 . 1 1 27 27 PHE CZ C 13 128.219 0.400 . 1 . . . A 383 PHE CZ . 18763 1 309 . 1 1 27 27 PHE N N 15 120.502 0.400 . 1 . . . A 383 PHE N . 18763 1 310 . 1 1 28 28 PHE H H 1 8.211 0.020 . 1 . . . A 384 PHE H . 18763 1 311 . 1 1 28 28 PHE HA H 1 4.068 0.020 . 1 . . . A 384 PHE HA . 18763 1 312 . 1 1 28 28 PHE HB2 H 1 3.227 0.020 . 1 . . . A 384 PHE HB2 . 18763 1 313 . 1 1 28 28 PHE HB3 H 1 3.194 0.020 . 1 . . . A 384 PHE HB3 . 18763 1 314 . 1 1 28 28 PHE HD1 H 1 7.197 0.020 . 1 . . . A 384 PHE HD1 . 18763 1 315 . 1 1 28 28 PHE HD2 H 1 7.197 0.020 . 1 . . . A 384 PHE HD2 . 18763 1 316 . 1 1 28 28 PHE HE1 H 1 7.172 0.020 . 1 . . . A 384 PHE HE1 . 18763 1 317 . 1 1 28 28 PHE HE2 H 1 7.172 0.020 . 1 . . . A 384 PHE HE2 . 18763 1 318 . 1 1 28 28 PHE HZ H 1 7.109 0.020 . 1 . . . A 384 PHE HZ . 18763 1 319 . 1 1 28 28 PHE C C 13 175.991 0.400 . 1 . . . A 384 PHE C . 18763 1 320 . 1 1 28 28 PHE CA C 13 60.974 0.400 . 1 . . . A 384 PHE CA . 18763 1 321 . 1 1 28 28 PHE CB C 13 38.513 0.400 . 1 . . . A 384 PHE CB . 18763 1 322 . 1 1 28 28 PHE CD2 C 13 130.910 0.400 . 1 . . . A 384 PHE CD2 . 18763 1 323 . 1 1 28 28 PHE CE2 C 13 129.892 0.400 . 1 . . . A 384 PHE CE2 . 18763 1 324 . 1 1 28 28 PHE CZ C 13 128.372 0.400 . 1 . . . A 384 PHE CZ . 18763 1 325 . 1 1 28 28 PHE N N 15 118.012 0.400 . 1 . . . A 384 PHE N . 18763 1 326 . 1 1 29 29 LEU H H 1 8.428 0.020 . 1 . . . A 385 LEU H . 18763 1 327 . 1 1 29 29 LEU HA H 1 3.841 0.020 . 1 . . . A 385 LEU HA . 18763 1 328 . 1 1 29 29 LEU HB2 H 1 1.914 0.020 . 1 . . . A 385 LEU HB2 . 18763 1 329 . 1 1 29 29 LEU HB3 H 1 1.435 0.020 . 1 . . . A 385 LEU HB3 . 18763 1 330 . 1 1 29 29 LEU HG H 1 1.917 0.020 . 1 . . . A 385 LEU HG . 18763 1 331 . 1 1 29 29 LEU HD11 H 1 0.913 0.020 . 1 . . . A 385 LEU HD11 . 18763 1 332 . 1 1 29 29 LEU HD12 H 1 0.913 0.020 . 1 . . . A 385 LEU HD12 . 18763 1 333 . 1 1 29 29 LEU HD13 H 1 0.913 0.020 . 1 . . . A 385 LEU HD13 . 18763 1 334 . 1 1 29 29 LEU HD21 H 1 0.888 0.020 . 1 . . . A 385 LEU HD21 . 18763 1 335 . 1 1 29 29 LEU HD22 H 1 0.888 0.020 . 1 . . . A 385 LEU HD22 . 18763 1 336 . 1 1 29 29 LEU HD23 H 1 0.888 0.020 . 1 . . . A 385 LEU HD23 . 18763 1 337 . 1 1 29 29 LEU C C 13 177.069 0.400 . 1 . . . A 385 LEU C . 18763 1 338 . 1 1 29 29 LEU CA C 13 57.403 0.400 . 1 . . . A 385 LEU CA . 18763 1 339 . 1 1 29 29 LEU CB C 13 40.946 0.400 . 1 . . . A 385 LEU CB . 18763 1 340 . 1 1 29 29 LEU CG C 13 26.246 0.400 . 1 . . . A 385 LEU CG . 18763 1 341 . 1 1 29 29 LEU CD1 C 13 24.596 0.400 . 1 . . . A 385 LEU CD1 . 18763 1 342 . 1 1 29 29 LEU CD2 C 13 22.740 0.400 . 1 . . . A 385 LEU CD2 . 18763 1 343 . 1 1 29 29 LEU N N 15 117.459 0.400 . 1 . . . A 385 LEU N . 18763 1 344 . 1 1 30 30 PHE H H 1 8.149 0.020 . 1 . . . A 386 PHE H . 18763 1 345 . 1 1 30 30 PHE HA H 1 3.986 0.020 . 1 . . . A 386 PHE HA . 18763 1 346 . 1 1 30 30 PHE HB2 H 1 3.236 0.020 . 1 . . . A 386 PHE HB2 . 18763 1 347 . 1 1 30 30 PHE HB3 H 1 3.041 0.020 . 1 . . . A 386 PHE HB3 . 18763 1 348 . 1 1 30 30 PHE HD1 H 1 7.000 0.020 . 1 . . . A 386 PHE HD1 . 18763 1 349 . 1 1 30 30 PHE HD2 H 1 7.000 0.020 . 1 . . . A 386 PHE HD2 . 18763 1 350 . 1 1 30 30 PHE HE1 H 1 7.047 0.020 . 1 . . . A 386 PHE HE1 . 18763 1 351 . 1 1 30 30 PHE HE2 H 1 7.047 0.020 . 1 . . . A 386 PHE HE2 . 18763 1 352 . 1 1 30 30 PHE HZ H 1 6.904 0.020 . 1 . . . A 386 PHE HZ . 18763 1 353 . 1 1 30 30 PHE C C 13 175.574 0.400 . 1 . . . A 386 PHE C . 18763 1 354 . 1 1 30 30 PHE CA C 13 60.974 0.400 . 1 . . . A 386 PHE CA . 18763 1 355 . 1 1 30 30 PHE CB C 13 38.339 0.400 . 1 . . . A 386 PHE CB . 18763 1 356 . 1 1 30 30 PHE CD2 C 13 130.957 0.400 . 1 . . . A 386 PHE CD2 . 18763 1 357 . 1 1 30 30 PHE CE2 C 13 129.705 0.400 . 1 . . . A 386 PHE CE2 . 18763 1 358 . 1 1 30 30 PHE CZ C 13 127.995 0.400 . 1 . . . A 386 PHE CZ . 18763 1 359 . 1 1 30 30 PHE N N 15 118.179 0.400 . 1 . . . A 386 PHE N . 18763 1 360 . 1 1 31 31 ILE H H 1 7.951 0.020 . 1 . . . A 387 ILE H . 18763 1 361 . 1 1 31 31 ILE HA H 1 3.246 0.020 . 1 . . . A 387 ILE HA . 18763 1 362 . 1 1 31 31 ILE HB H 1 1.842 0.020 . 1 . . . A 387 ILE HB . 18763 1 363 . 1 1 31 31 ILE HG12 H 1 1.288 0.020 . 1 . . . A 387 ILE HG12 . 18763 1 364 . 1 1 31 31 ILE HG13 H 1 1.012 0.020 . 1 . . . A 387 ILE HG13 . 18763 1 365 . 1 1 31 31 ILE HG21 H 1 0.743 0.020 . 1 . . . A 387 ILE HG21 . 18763 1 366 . 1 1 31 31 ILE HG22 H 1 0.743 0.020 . 1 . . . A 387 ILE HG22 . 18763 1 367 . 1 1 31 31 ILE HG23 H 1 0.743 0.020 . 1 . . . A 387 ILE HG23 . 18763 1 368 . 1 1 31 31 ILE HD11 H 1 0.634 0.020 . 1 . . . A 387 ILE HD11 . 18763 1 369 . 1 1 31 31 ILE HD12 H 1 0.634 0.020 . 1 . . . A 387 ILE HD12 . 18763 1 370 . 1 1 31 31 ILE HD13 H 1 0.634 0.020 . 1 . . . A 387 ILE HD13 . 18763 1 371 . 1 1 31 31 ILE C C 13 175.905 0.400 . 1 . . . A 387 ILE C . 18763 1 372 . 1 1 31 31 ILE CA C 13 63.373 0.400 . 1 . . . A 387 ILE CA . 18763 1 373 . 1 1 31 31 ILE CB C 13 35.754 0.400 . 1 . . . A 387 ILE CB . 18763 1 374 . 1 1 31 31 ILE CG1 C 13 27.515 0.400 . 1 . . . A 387 ILE CG1 . 18763 1 375 . 1 1 31 31 ILE CG2 C 13 16.796 0.400 . 1 . . . A 387 ILE CG2 . 18763 1 376 . 1 1 31 31 ILE CD1 C 13 11.264 0.400 . 1 . . . A 387 ILE CD1 . 18763 1 377 . 1 1 31 31 ILE N N 15 117.287 0.400 . 1 . . . A 387 ILE N . 18763 1 378 . 1 1 32 32 LEU H H 1 7.875 0.020 . 1 . . . A 388 LEU H . 18763 1 379 . 1 1 32 32 LEU HA H 1 3.765 0.020 . 1 . . . A 388 LEU HA . 18763 1 380 . 1 1 32 32 LEU HB2 H 1 1.635 0.020 . 1 . . . A 388 LEU HB2 . 18763 1 381 . 1 1 32 32 LEU HB3 H 1 1.409 0.020 . 1 . . . A 388 LEU HB3 . 18763 1 382 . 1 1 32 32 LEU HG H 1 1.501 0.020 . 1 . . . A 388 LEU HG . 18763 1 383 . 1 1 32 32 LEU HD11 H 1 0.737 0.020 . 1 . . . A 388 LEU HD11 . 18763 1 384 . 1 1 32 32 LEU HD12 H 1 0.737 0.020 . 1 . . . A 388 LEU HD12 . 18763 1 385 . 1 1 32 32 LEU HD13 H 1 0.737 0.020 . 1 . . . A 388 LEU HD13 . 18763 1 386 . 1 1 32 32 LEU HD21 H 1 0.730 0.020 . 1 . . . A 388 LEU HD21 . 18763 1 387 . 1 1 32 32 LEU HD22 H 1 0.730 0.020 . 1 . . . A 388 LEU HD22 . 18763 1 388 . 1 1 32 32 LEU HD23 H 1 0.730 0.020 . 1 . . . A 388 LEU HD23 . 18763 1 389 . 1 1 32 32 LEU C C 13 177.687 0.400 . 1 . . . A 388 LEU C . 18763 1 390 . 1 1 32 32 LEU CA C 13 57.785 0.400 . 1 . . . A 388 LEU CA . 18763 1 391 . 1 1 32 32 LEU CB C 13 40.930 0.400 . 1 . . . A 388 LEU CB . 18763 1 392 . 1 1 32 32 LEU CG C 13 25.969 0.400 . 1 . . . A 388 LEU CG . 18763 1 393 . 1 1 32 32 LEU CD1 C 13 23.121 0.400 . 1 . . . A 388 LEU CD1 . 18763 1 394 . 1 1 32 32 LEU CD2 C 13 24.265 0.400 . 1 . . . A 388 LEU CD2 . 18763 1 395 . 1 1 32 32 LEU N N 15 119.643 0.400 . 1 . . . A 388 LEU N . 18763 1 396 . 1 1 33 33 VAL H H 1 8.040 0.020 . 1 . . . A 389 VAL H . 18763 1 397 . 1 1 33 33 VAL HA H 1 3.421 0.020 . 1 . . . A 389 VAL HA . 18763 1 398 . 1 1 33 33 VAL HB H 1 2.111 0.020 . 1 . . . A 389 VAL HB . 18763 1 399 . 1 1 33 33 VAL HG11 H 1 0.879 0.020 . 1 . . . A 389 VAL HG11 . 18763 1 400 . 1 1 33 33 VAL HG12 H 1 0.879 0.020 . 1 . . . A 389 VAL HG12 . 18763 1 401 . 1 1 33 33 VAL HG13 H 1 0.879 0.020 . 1 . . . A 389 VAL HG13 . 18763 1 402 . 1 1 33 33 VAL HG21 H 1 1.065 0.020 . 1 . . . A 389 VAL HG21 . 18763 1 403 . 1 1 33 33 VAL HG22 H 1 1.065 0.020 . 1 . . . A 389 VAL HG22 . 18763 1 404 . 1 1 33 33 VAL HG23 H 1 1.065 0.020 . 1 . . . A 389 VAL HG23 . 18763 1 405 . 1 1 33 33 VAL C C 13 176.896 0.400 . 1 . . . A 389 VAL C . 18763 1 406 . 1 1 33 33 VAL CA C 13 66.705 0.400 . 1 . . . A 389 VAL CA . 18763 1 407 . 1 1 33 33 VAL CB C 13 30.482 0.400 . 1 . . . A 389 VAL CB . 18763 1 408 . 1 1 33 33 VAL CG1 C 13 20.929 0.400 . 1 . . . A 389 VAL CG1 . 18763 1 409 . 1 1 33 33 VAL CG2 C 13 22.535 0.400 . 1 . . . A 389 VAL CG2 . 18763 1 410 . 1 1 33 33 VAL N N 15 117.991 0.400 . 1 . . . A 389 VAL N . 18763 1 411 . 1 1 34 34 VAL H H 1 8.091 0.020 . 1 . . . A 390 VAL H . 18763 1 412 . 1 1 34 34 VAL HA H 1 3.265 0.020 . 1 . . . A 390 VAL HA . 18763 1 413 . 1 1 34 34 VAL HB H 1 1.810 0.020 . 1 . . . A 390 VAL HB . 18763 1 414 . 1 1 34 34 VAL HG11 H 1 0.755 0.020 . 1 . . . A 390 VAL HG11 . 18763 1 415 . 1 1 34 34 VAL HG12 H 1 0.755 0.020 . 1 . . . A 390 VAL HG12 . 18763 1 416 . 1 1 34 34 VAL HG13 H 1 0.755 0.020 . 1 . . . A 390 VAL HG13 . 18763 1 417 . 1 1 34 34 VAL HG21 H 1 0.499 0.020 . 1 . . . A 390 VAL HG21 . 18763 1 418 . 1 1 34 34 VAL HG22 H 1 0.499 0.020 . 1 . . . A 390 VAL HG22 . 18763 1 419 . 1 1 34 34 VAL HG23 H 1 0.499 0.020 . 1 . . . A 390 VAL HG23 . 18763 1 420 . 1 1 34 34 VAL C C 13 178.707 0.400 . 1 . . . A 390 VAL C . 18763 1 421 . 1 1 34 34 VAL CA C 13 66.509 0.400 . 1 . . . A 390 VAL CA . 18763 1 422 . 1 1 34 34 VAL CB C 13 30.439 0.400 . 1 . . . A 390 VAL CB . 18763 1 423 . 1 1 34 34 VAL CG1 C 13 20.998 0.400 . 1 . . . A 390 VAL CG1 . 18763 1 424 . 1 1 34 34 VAL CG2 C 13 22.375 0.400 . 1 . . . A 390 VAL CG2 . 18763 1 425 . 1 1 34 34 VAL N N 15 118.708 0.400 . 1 . . . A 390 VAL N . 18763 1 426 . 1 1 35 35 ALA H H 1 8.801 0.020 . 1 . . . A 391 ALA H . 18763 1 427 . 1 1 35 35 ALA HA H 1 3.806 0.020 . 1 . . . A 391 ALA HA . 18763 1 428 . 1 1 35 35 ALA HB1 H 1 1.465 0.020 . 1 . . . A 391 ALA HB1 . 18763 1 429 . 1 1 35 35 ALA HB2 H 1 1.465 0.020 . 1 . . . A 391 ALA HB2 . 18763 1 430 . 1 1 35 35 ALA HB3 H 1 1.465 0.020 . 1 . . . A 391 ALA HB3 . 18763 1 431 . 1 1 35 35 ALA C C 13 177.586 0.400 . 1 . . . A 391 ALA C . 18763 1 432 . 1 1 35 35 ALA CA C 13 55.067 0.400 . 1 . . . A 391 ALA CA . 18763 1 433 . 1 1 35 35 ALA CB C 13 17.264 0.400 . 1 . . . A 391 ALA CB . 18763 1 434 . 1 1 35 35 ALA N N 15 123.870 0.400 . 1 . . . A 391 ALA N . 18763 1 435 . 1 1 36 36 ALA H H 1 8.491 0.020 . 1 . . . A 392 ALA H . 18763 1 436 . 1 1 36 36 ALA HA H 1 3.922 0.020 . 1 . . . A 392 ALA HA . 18763 1 437 . 1 1 36 36 ALA HB1 H 1 1.514 0.020 . 1 . . . A 392 ALA HB1 . 18763 1 438 . 1 1 36 36 ALA HB2 H 1 1.514 0.020 . 1 . . . A 392 ALA HB2 . 18763 1 439 . 1 1 36 36 ALA HB3 H 1 1.514 0.020 . 1 . . . A 392 ALA HB3 . 18763 1 440 . 1 1 36 36 ALA C C 13 178.808 0.400 . 1 . . . A 392 ALA C . 18763 1 441 . 1 1 36 36 ALA CA C 13 55.169 0.400 . 1 . . . A 392 ALA CA . 18763 1 442 . 1 1 36 36 ALA CB C 13 18.021 0.400 . 1 . . . A 392 ALA CB . 18763 1 443 . 1 1 36 36 ALA N N 15 119.704 0.400 . 1 . . . A 392 ALA N . 18763 1 444 . 1 1 37 37 VAL H H 1 8.479 0.020 . 1 . . . A 393 VAL H . 18763 1 445 . 1 1 37 37 VAL HA H 1 3.519 0.020 . 1 . . . A 393 VAL HA . 18763 1 446 . 1 1 37 37 VAL HB H 1 2.065 0.020 . 1 . . . A 393 VAL HB . 18763 1 447 . 1 1 37 37 VAL HG11 H 1 0.937 0.020 . 1 . . . A 393 VAL HG11 . 18763 1 448 . 1 1 37 37 VAL HG12 H 1 0.937 0.020 . 1 . . . A 393 VAL HG12 . 18763 1 449 . 1 1 37 37 VAL HG13 H 1 0.937 0.020 . 1 . . . A 393 VAL HG13 . 18763 1 450 . 1 1 37 37 VAL HG21 H 1 1.085 0.020 . 1 . . . A 393 VAL HG21 . 18763 1 451 . 1 1 37 37 VAL HG22 H 1 1.085 0.020 . 1 . . . A 393 VAL HG22 . 18763 1 452 . 1 1 37 37 VAL HG23 H 1 1.085 0.020 . 1 . . . A 393 VAL HG23 . 18763 1 453 . 1 1 37 37 VAL C C 13 174.066 0.400 . 1 . . . A 393 VAL C . 18763 1 454 . 1 1 37 37 VAL CA C 13 66.113 0.400 . 1 . . . A 393 VAL CA . 18763 1 455 . 1 1 37 37 VAL CB C 13 31.613 0.400 . 1 . . . A 393 VAL CB . 18763 1 456 . 1 1 37 37 VAL CG1 C 13 21.084 0.400 . 1 . . . A 393 VAL CG1 . 18763 1 457 . 1 1 37 37 VAL CG2 C 13 22.493 0.400 . 1 . . . A 393 VAL CG2 . 18763 1 458 . 1 1 37 37 VAL N N 15 116.061 0.400 . 1 . . . A 393 VAL N . 18763 1 459 . 1 1 38 38 THR H H 1 8.414 0.020 . 1 . . . A 394 THR H . 18763 1 460 . 1 1 38 38 THR HA H 1 3.698 0.020 . 1 . . . A 394 THR HA . 18763 1 461 . 1 1 38 38 THR HB H 1 4.195 0.020 . 1 . . . A 394 THR HB . 18763 1 462 . 1 1 38 38 THR HG21 H 1 1.265 0.020 . 1 . . . A 394 THR HG21 . 18763 1 463 . 1 1 38 38 THR HG22 H 1 1.265 0.020 . 1 . . . A 394 THR HG22 . 18763 1 464 . 1 1 38 38 THR HG23 H 1 1.265 0.020 . 1 . . . A 394 THR HG23 . 18763 1 465 . 1 1 38 38 THR C C 13 175.868 0.400 . 1 . . . A 394 THR C . 18763 1 466 . 1 1 38 38 THR CA C 13 67.307 0.400 . 1 . . . A 394 THR CA . 18763 1 467 . 1 1 38 38 THR CB C 13 67.335 0.400 . 1 . . . A 394 THR CB . 18763 1 468 . 1 1 38 38 THR CG2 C 13 20.966 0.400 . 1 . . . A 394 THR CG2 . 18763 1 469 . 1 1 38 38 THR N N 15 120.638 0.400 . 1 . . . A 394 THR N . 18763 1 470 . 1 1 39 39 LEU H H 1 8.356 0.020 . 1 . . . A 395 LEU H . 18763 1 471 . 1 1 39 39 LEU HA H 1 4.008 0.020 . 1 . . . A 395 LEU HA . 18763 1 472 . 1 1 39 39 LEU HB2 H 1 1.895 0.020 . 1 . . . A 395 LEU HB2 . 18763 1 473 . 1 1 39 39 LEU HB3 H 1 1.536 0.020 . 1 . . . A 395 LEU HB3 . 18763 1 474 . 1 1 39 39 LEU HG H 1 1.823 0.020 . 1 . . . A 395 LEU HG . 18763 1 475 . 1 1 39 39 LEU HD11 H 1 0.949 0.020 . 1 . . . A 395 LEU HD11 . 18763 1 476 . 1 1 39 39 LEU HD12 H 1 0.949 0.020 . 1 . . . A 395 LEU HD12 . 18763 1 477 . 1 1 39 39 LEU HD13 H 1 0.949 0.020 . 1 . . . A 395 LEU HD13 . 18763 1 478 . 1 1 39 39 LEU HD21 H 1 0.981 0.020 . 1 . . . A 395 LEU HD21 . 18763 1 479 . 1 1 39 39 LEU HD22 H 1 0.981 0.020 . 1 . . . A 395 LEU HD22 . 18763 1 480 . 1 1 39 39 LEU HD23 H 1 0.981 0.020 . 1 . . . A 395 LEU HD23 . 18763 1 481 . 1 1 39 39 LEU C C 13 178.210 0.400 . 1 . . . A 395 LEU C . 18763 1 482 . 1 1 39 39 LEU CA C 13 57.298 0.400 . 1 . . . A 395 LEU CA . 18763 1 483 . 1 1 39 39 LEU CB C 13 41.349 0.400 . 1 . . . A 395 LEU CB . 18763 1 484 . 1 1 39 39 LEU CG C 13 26.633 0.400 . 1 . . . A 395 LEU CG . 18763 1 485 . 1 1 39 39 LEU CD1 C 13 23.256 0.400 . 1 . . . A 395 LEU CD1 . 18763 1 486 . 1 1 39 39 LEU CD2 C 13 24.586 0.400 . 1 . . . A 395 LEU CD2 . 18763 1 487 . 1 1 39 39 LEU N N 15 119.786 0.400 . 1 . . . A 395 LEU N . 18763 1 488 . 1 1 40 40 CYS H H 1 7.907 0.020 . 1 . . . A 396 CYS H . 18763 1 489 . 1 1 40 40 CYS HA H 1 4.185 0.020 . 1 . . . A 396 CYS HA . 18763 1 490 . 1 1 40 40 CYS HB2 H 1 3.065 0.020 . 1 . . . A 396 CYS HB2 . 18763 1 491 . 1 1 40 40 CYS HB3 H 1 2.904 0.020 . 1 . . . A 396 CYS HB3 . 18763 1 492 . 1 1 40 40 CYS C C 13 175.397 0.400 . 1 . . . A 396 CYS C . 18763 1 493 . 1 1 40 40 CYS CA C 13 62.032 0.400 . 1 . . . A 396 CYS CA . 18763 1 494 . 1 1 40 40 CYS CB C 13 26.660 0.400 . 1 . . . A 396 CYS CB . 18763 1 495 . 1 1 40 40 CYS N N 15 114.171 0.400 . 1 . . . A 396 CYS N . 18763 1 496 . 1 1 41 41 ARG H H 1 7.851 0.020 . 1 . . . A 397 ARG H . 18763 1 497 . 1 1 41 41 ARG HA H 1 4.327 0.020 . 1 . . . A 397 ARG HA . 18763 1 498 . 1 1 41 41 ARG HB2 H 1 1.913 0.020 . 1 . . . A 397 ARG HB2 . 18763 1 499 . 1 1 41 41 ARG HB3 H 1 2.025 0.020 . 1 . . . A 397 ARG HB3 . 18763 1 500 . 1 1 41 41 ARG HG2 H 1 1.814 0.020 . 1 . . . A 397 ARG HG2 . 18763 1 501 . 1 1 41 41 ARG HG3 H 1 1.814 0.020 . 1 . . . A 397 ARG HG3 . 18763 1 502 . 1 1 41 41 ARG HD2 H 1 3.218 0.020 . 1 . . . A 397 ARG HD2 . 18763 1 503 . 1 1 41 41 ARG HD3 H 1 3.124 0.020 . 1 . . . A 397 ARG HD3 . 18763 1 504 . 1 1 41 41 ARG HE H 1 7.578 0.020 . 1 . . . A 397 ARG HE . 18763 1 505 . 1 1 41 41 ARG HH11 H 1 6.886 0.020 . 1 . . . A 397 ARG HH11 . 18763 1 506 . 1 1 41 41 ARG HH12 H 1 6.886 0.020 . 1 . . . A 397 ARG HH12 . 18763 1 507 . 1 1 41 41 ARG HH21 H 1 6.908 0.020 . 1 . . . A 397 ARG HH21 . 18763 1 508 . 1 1 41 41 ARG HH22 H 1 6.908 0.020 . 1 . . . A 397 ARG HH22 . 18763 1 509 . 1 1 41 41 ARG C C 13 176.077 0.400 . 1 . . . A 397 ARG C . 18763 1 510 . 1 1 41 41 ARG CA C 13 55.841 0.400 . 1 . . . A 397 ARG CA . 18763 1 511 . 1 1 41 41 ARG CB C 13 29.749 0.400 . 1 . . . A 397 ARG CB . 18763 1 512 . 1 1 41 41 ARG CG C 13 26.752 0.400 . 1 . . . A 397 ARG CG . 18763 1 513 . 1 1 41 41 ARG CD C 13 42.095 0.400 . 1 . . . A 397 ARG CD . 18763 1 514 . 1 1 41 41 ARG CZ C 13 159.350 0.400 . 1 . . . A 397 ARG CZ . 18763 1 515 . 1 1 41 41 ARG N N 15 117.060 0.400 . 1 . . . A 397 ARG N . 18763 1 516 . 1 1 41 41 ARG NE N 15 84.170 0.400 . 1 . . . A 397 ARG NE . 18763 1 517 . 1 1 41 41 ARG NH1 N 15 72.241 0.400 . 1 . . . A 397 ARG NH1 . 18763 1 518 . 1 1 41 41 ARG NH2 N 15 72.244 0.400 . 1 . . . A 397 ARG NH2 . 18763 1 519 . 1 1 42 42 LEU H H 1 7.745 0.020 . 1 . . . A 398 LEU H . 18763 1 520 . 1 1 42 42 LEU HA H 1 4.332 0.020 . 1 . . . A 398 LEU HA . 18763 1 521 . 1 1 42 42 LEU HB2 H 1 1.787 0.020 . 1 . . . A 398 LEU HB2 . 18763 1 522 . 1 1 42 42 LEU HB3 H 1 1.612 0.020 . 1 . . . A 398 LEU HB3 . 18763 1 523 . 1 1 42 42 LEU HG H 1 1.661 0.020 . 1 . . . A 398 LEU HG . 18763 1 524 . 1 1 42 42 LEU HD11 H 1 0.975 0.020 . 1 . . . A 398 LEU HD11 . 18763 1 525 . 1 1 42 42 LEU HD12 H 1 0.975 0.020 . 1 . . . A 398 LEU HD12 . 18763 1 526 . 1 1 42 42 LEU HD13 H 1 0.975 0.020 . 1 . . . A 398 LEU HD13 . 18763 1 527 . 1 1 42 42 LEU HD21 H 1 0.952 0.020 . 1 . . . A 398 LEU HD21 . 18763 1 528 . 1 1 42 42 LEU HD22 H 1 0.952 0.020 . 1 . . . A 398 LEU HD22 . 18763 1 529 . 1 1 42 42 LEU HD23 H 1 0.952 0.020 . 1 . . . A 398 LEU HD23 . 18763 1 530 . 1 1 42 42 LEU C C 13 175.424 0.400 . 1 . . . A 398 LEU C . 18763 1 531 . 1 1 42 42 LEU CA C 13 54.871 0.400 . 1 . . . A 398 LEU CA . 18763 1 532 . 1 1 42 42 LEU CB C 13 42.004 0.400 . 1 . . . A 398 LEU CB . 18763 1 533 . 1 1 42 42 LEU CG C 13 26.842 0.400 . 1 . . . A 398 LEU CG . 18763 1 534 . 1 1 42 42 LEU CD1 C 13 25.205 0.400 . 1 . . . A 398 LEU CD1 . 18763 1 535 . 1 1 42 42 LEU CD2 C 13 22.702 0.400 . 1 . . . A 398 LEU CD2 . 18763 1 536 . 1 1 42 42 LEU N N 15 118.975 0.400 . 1 . . . A 398 LEU N . 18763 1 537 . 1 1 43 43 ARG H H 1 7.337 0.020 . 1 . . . A 399 ARG H . 18763 1 538 . 1 1 43 43 ARG HA H 1 4.140 0.020 . 1 . . . A 399 ARG HA . 18763 1 539 . 1 1 43 43 ARG HB2 H 1 1.894 0.020 . 1 . . . A 399 ARG HB2 . 18763 1 540 . 1 1 43 43 ARG HB3 H 1 1.787 0.020 . 1 . . . A 399 ARG HB3 . 18763 1 541 . 1 1 43 43 ARG HG2 H 1 1.666 0.020 . 1 . . . A 399 ARG HG2 . 18763 1 542 . 1 1 43 43 ARG HG3 H 1 1.571 0.020 . 1 . . . A 399 ARG HG3 . 18763 1 543 . 1 1 43 43 ARG HD2 H 1 3.269 0.020 . 1 . . . A 399 ARG HD2 . 18763 1 544 . 1 1 43 43 ARG HD3 H 1 3.269 0.020 . 1 . . . A 399 ARG HD3 . 18763 1 545 . 1 1 43 43 ARG HE H 1 7.468 0.020 . 1 . . . A 399 ARG HE . 18763 1 546 . 1 1 43 43 ARG HH11 H 1 6.814 0.020 . 1 . . . A 399 ARG HH11 . 18763 1 547 . 1 1 43 43 ARG HH12 H 1 6.814 0.020 . 1 . . . A 399 ARG HH12 . 18763 1 548 . 1 1 43 43 ARG HH21 H 1 6.835 0.020 . 1 . . . A 399 ARG HH21 . 18763 1 549 . 1 1 43 43 ARG HH22 H 1 6.835 0.020 . 1 . . . A 399 ARG HH22 . 18763 1 550 . 1 1 43 43 ARG CA C 13 56.291 0.400 . 1 . . . A 399 ARG CA . 18763 1 551 . 1 1 43 43 ARG CB C 13 30.597 0.400 . 1 . . . A 399 ARG CB . 18763 1 552 . 1 1 43 43 ARG CG C 13 26.694 0.400 . 1 . . . A 399 ARG CG . 18763 1 553 . 1 1 43 43 ARG CD C 13 42.869 0.400 . 1 . . . A 399 ARG CD . 18763 1 554 . 1 1 43 43 ARG CZ C 13 159.267 0.400 . 1 . . . A 399 ARG CZ . 18763 1 555 . 1 1 43 43 ARG N N 15 123.154 0.400 . 1 . . . A 399 ARG N . 18763 1 556 . 1 1 43 43 ARG NE N 15 84.927 0.400 . 1 . . . A 399 ARG NE . 18763 1 557 . 1 1 43 43 ARG NH1 N 15 72.266 0.400 . 1 . . . A 399 ARG NH1 . 18763 1 558 . 1 1 43 43 ARG NH2 N 15 72.302 0.400 . 1 . . . A 399 ARG NH2 . 18763 1 stop_ save_