data_25037 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25037 _Entry.Title ; Solution structure of N terminal domain of the MuB AAA+ ATPase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-23 _Entry.Accession_date 2014-06-23 _Entry.Last_release_date 2015-06-29 _Entry.Original_release_date 2015-06-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Blanca Lopez-Mendez . . . 25037 2 Marija Dramicanin . . . 25037 3 Ramon Campos-Olivas . . . 25037 4 Santiago Ramon-Maiques . . . 25037 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' . 25037 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 25037 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25037 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 183 25037 '15N chemical shifts' 68 25037 '1H chemical shifts' 454 25037 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 . . 2015-06-29 . original BMRB . 25037 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MQK 'BMRB Entry Tracking System' 25037 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25037 _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 ; Solution structure of N terminal domain of the MuB AAA+ ATPase ; _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 Marija Dramicanin . . . 25037 1 2 Blanca Lopez-Mendez . . . 25037 1 3 Ramon Campos-Olivas . . . 25037 1 4 Santiago Ramon-Maiques . . . 25037 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25037 _Assembly.ID 1 _Assembly.Name 'N terminal domain of the MuB AAA+ ATPase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MuB-NTD 1 $MuB-NTD A . yes native no no . . . 25037 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MuB-NTD _Entity.Sf_category entity _Entity.Sf_framecode MuB-NTD _Entity.Entry_ID 25037 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MuB-NTD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPMNISDIRAGLRTLVENEE TTFKQIALESGLSTGTISSF INDKYNGDNERVSQTLQRWL EKYHA ; _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 65 _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 7353.184 _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 2MQK . "Solution Structure Of N Terminal Domain Of The Mub Aaa+ Atpase" . . . . . 100.00 65 100.00 100.00 3.58e-39 . . . . 25037 1 2 no EMBL CAA25599 . "unnamed protein product [Enterobacteria phage Mu]" . . . . . 96.92 312 98.41 98.41 5.11e-34 . . . . 25037 1 3 no EMBL CDP68213 . "DNA transposition protein B [Escherichia coli D6-113.11]" . . . . . 96.92 312 98.41 98.41 5.28e-34 . . . . 25037 1 4 no EMBL CDU35404 . "DNA transposition protein B [Escherichia coli D6-113.11]" . . . . . 96.92 312 98.41 98.41 5.28e-34 . . . . 25037 1 5 no EMBL CTU52180 . "putative phage DNA transposition protein [Escherichia coli]" . . . . . 96.92 312 98.41 98.41 5.28e-34 . . . . 25037 1 6 no EMBL CTV64249 . "putative phage DNA transposition protein [Escherichia coli]" . . . . . 96.92 312 98.41 98.41 5.11e-34 . . . . 25037 1 7 no GB AAA32370 . "enhancer protein, partial [Enterobacteria phage Mu]" . . . . . 96.92 302 98.41 98.41 3.93e-34 . . . . 25037 1 8 no GB AAA32382 . "B [Enterobacteria phage Mu]" . . . . . 96.92 312 98.41 98.41 5.11e-34 . . . . 25037 1 9 no GB AAF01100 . "B [Enterobacteria phage Mu]" . . . . . 96.92 312 98.41 98.41 5.11e-34 . . . . 25037 1 10 no GB AAW58941 . "B protein [Cloning vector MuNXKan]" . . . . . 96.92 312 98.41 98.41 5.11e-34 . . . . 25037 1 11 no GB ACV50263 . "DNA transposition protein B [Escherichia phage D108]" . . . . . 96.92 312 98.41 98.41 5.28e-34 . . . . 25037 1 12 no REF NP_050608 . "DNA transposition protein [Enterobacteria phage Mu]" . . . . . 96.92 312 98.41 98.41 5.11e-34 . . . . 25037 1 13 no REF WP_001026707 . "transposase [Escherichia coli]" . . . . . 96.92 312 98.41 98.41 5.45e-34 . . . . 25037 1 14 no REF WP_001026708 . "transposase [Escherichia coli]" . . . . . 96.92 312 98.41 98.41 5.22e-34 . . . . 25037 1 15 no REF WP_001026709 . "transposase [Escherichia coli]" . . . . . 96.92 312 98.41 98.41 5.68e-34 . . . . 25037 1 16 no REF WP_001026710 . "MULTISPECIES: transposase [Enterobacteriaceae]" . . . . . 96.92 312 98.41 98.41 5.11e-34 . . . . 25037 1 17 no SP P03763 . "RecName: Full=ATP-dependent target DNA activator B; AltName: Full=Gene product 04; Short=gp04; AltName: Full=Gene product B; Sh" . . . . . 96.92 312 98.41 98.41 5.11e-34 . . . . 25037 1 18 no SP P13771 . "RecName: Full=ATP-dependent target DNA activator B; AltName: Full=Gene product B; Short=gpB; AltName: Full=MuB [Escherichia pha" . . . . . 96.92 312 98.41 98.41 5.28e-34 . . . . 25037 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 25037 1 2 0 PRO . 25037 1 3 1 MET . 25037 1 4 2 ASN . 25037 1 5 3 ILE . 25037 1 6 4 SER . 25037 1 7 5 ASP . 25037 1 8 6 ILE . 25037 1 9 7 ARG . 25037 1 10 8 ALA . 25037 1 11 9 GLY . 25037 1 12 10 LEU . 25037 1 13 11 ARG . 25037 1 14 12 THR . 25037 1 15 13 LEU . 25037 1 16 14 VAL . 25037 1 17 15 GLU . 25037 1 18 16 ASN . 25037 1 19 17 GLU . 25037 1 20 18 GLU . 25037 1 21 19 THR . 25037 1 22 20 THR . 25037 1 23 21 PHE . 25037 1 24 22 LYS . 25037 1 25 23 GLN . 25037 1 26 24 ILE . 25037 1 27 25 ALA . 25037 1 28 26 LEU . 25037 1 29 27 GLU . 25037 1 30 28 SER . 25037 1 31 29 GLY . 25037 1 32 30 LEU . 25037 1 33 31 SER . 25037 1 34 32 THR . 25037 1 35 33 GLY . 25037 1 36 34 THR . 25037 1 37 35 ILE . 25037 1 38 36 SER . 25037 1 39 37 SER . 25037 1 40 38 PHE . 25037 1 41 39 ILE . 25037 1 42 40 ASN . 25037 1 43 41 ASP . 25037 1 44 42 LYS . 25037 1 45 43 TYR . 25037 1 46 44 ASN . 25037 1 47 45 GLY . 25037 1 48 46 ASP . 25037 1 49 47 ASN . 25037 1 50 48 GLU . 25037 1 51 49 ARG . 25037 1 52 50 VAL . 25037 1 53 51 SER . 25037 1 54 52 GLN . 25037 1 55 53 THR . 25037 1 56 54 LEU . 25037 1 57 55 GLN . 25037 1 58 56 ARG . 25037 1 59 57 TRP . 25037 1 60 58 LEU . 25037 1 61 59 GLU . 25037 1 62 60 LYS . 25037 1 63 61 TYR . 25037 1 64 62 HIS . 25037 1 65 63 ALA . 25037 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25037 1 . PRO 2 2 25037 1 . MET 3 3 25037 1 . ASN 4 4 25037 1 . ILE 5 5 25037 1 . SER 6 6 25037 1 . ASP 7 7 25037 1 . ILE 8 8 25037 1 . ARG 9 9 25037 1 . ALA 10 10 25037 1 . GLY 11 11 25037 1 . LEU 12 12 25037 1 . ARG 13 13 25037 1 . THR 14 14 25037 1 . LEU 15 15 25037 1 . VAL 16 16 25037 1 . GLU 17 17 25037 1 . ASN 18 18 25037 1 . GLU 19 19 25037 1 . GLU 20 20 25037 1 . THR 21 21 25037 1 . THR 22 22 25037 1 . PHE 23 23 25037 1 . LYS 24 24 25037 1 . GLN 25 25 25037 1 . ILE 26 26 25037 1 . ALA 27 27 25037 1 . LEU 28 28 25037 1 . GLU 29 29 25037 1 . SER 30 30 25037 1 . GLY 31 31 25037 1 . LEU 32 32 25037 1 . SER 33 33 25037 1 . THR 34 34 25037 1 . GLY 35 35 25037 1 . THR 36 36 25037 1 . ILE 37 37 25037 1 . SER 38 38 25037 1 . SER 39 39 25037 1 . PHE 40 40 25037 1 . ILE 41 41 25037 1 . ASN 42 42 25037 1 . ASP 43 43 25037 1 . LYS 44 44 25037 1 . TYR 45 45 25037 1 . ASN 46 46 25037 1 . GLY 47 47 25037 1 . ASP 48 48 25037 1 . ASN 49 49 25037 1 . GLU 50 50 25037 1 . ARG 51 51 25037 1 . VAL 52 52 25037 1 . SER 53 53 25037 1 . GLN 54 54 25037 1 . THR 55 55 25037 1 . LEU 56 56 25037 1 . GLN 57 57 25037 1 . ARG 58 58 25037 1 . TRP 59 59 25037 1 . LEU 60 60 25037 1 . GLU 61 61 25037 1 . LYS 62 62 25037 1 . TYR 63 63 25037 1 . HIS 64 64 25037 1 . ALA 65 65 25037 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 25037 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MuB-NTD . 10677 organism . 'bacteriophage Mu' 'Enterobacteria phage Mu' . . Viruses . bacteriophage Mu . . . . . . . . . . . . . 25037 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 25037 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MuB-NTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pOPINB . . . 25037 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25037 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 MuB-NTD 'natural abundance' . . 1 $MuB-NTD . . 500 . . uM . . . . 25037 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25037 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25037 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25037 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 MuB-NTD '[U-98% 15N]' . . 1 $MuB-NTD . . 500 . . uM . . . . 25037 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25037 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25037 2 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 25037 _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' 100 . mM 25037 1 pH 7.5 . pH 25037 1 pressure 1 . atm 25037 1 temperature 298 . K 25037 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25037 _Software.ID 1 _Software.Name CYANA _Software.Version 2.2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25037 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25037 1 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 25037 _Software.ID 2 _Software.Name OPAL _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 25037 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25037 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25037 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25037 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25037 3 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 25037 _Software.ID 4 _Software.Name CCPN _Software.Version 2.3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25037 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25037 4 'data analysis' 25037 4 'peak picking' 25037 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25037 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25037 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25037 5 processing 25037 5 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 25037 _Software.ID 6 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25037 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'backbone torsion angle restraint generation' 25037 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25037 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25037 _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 . 700 . . . 25037 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 25037 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25037 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25037 1 3 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25037 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25037 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25037 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25037 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 25037 _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 . . . . . . . . . 25037 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25037 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25037 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 25037 _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' . . . 25037 1 2 '3D 1H-15N NOESY' . . . 25037 1 3 '3D HNHA' . . . 25037 1 4 '2D 1H-1H TOCSY' . . . 25037 1 5 '2D 1H-1H NOESY' . . . 25037 1 6 '2D 1H-13C HSQC' . . . 25037 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 GLY HA2 H 1 3.969 0.020 . 1 . . . A -1 GLY HA2 . 25037 1 2 . 1 1 1 1 GLY HA3 H 1 3.969 0.020 . 1 . . . A -1 GLY HA3 . 25037 1 3 . 1 1 1 1 GLY CA C 13 43.425 0.400 . 1 . . . A -1 GLY CA . 25037 1 4 . 1 1 2 2 PRO HA H 1 4.556 0.020 . 1 . . . A 0 PRO HA . 25037 1 5 . 1 1 2 2 PRO HB2 H 1 2.343 0.020 . 2 . . . A 0 PRO HB2 . 25037 1 6 . 1 1 2 2 PRO HB3 H 1 1.967 0.020 . 2 . . . A 0 PRO HB3 . 25037 1 7 . 1 1 2 2 PRO HG2 H 1 2.067 0.020 . 1 . . . A 0 PRO HG2 . 25037 1 8 . 1 1 2 2 PRO HG3 H 1 2.067 0.020 . 1 . . . A 0 PRO HG3 . 25037 1 9 . 1 1 2 2 PRO HD2 H 1 3.598 0.020 . 1 . . . A 0 PRO HD2 . 25037 1 10 . 1 1 2 2 PRO HD3 H 1 3.598 0.020 . 1 . . . A 0 PRO HD3 . 25037 1 11 . 1 1 2 2 PRO CA C 13 63.199 0.400 . 1 . . . A 0 PRO CA . 25037 1 12 . 1 1 2 2 PRO CB C 13 32.310 0.400 . 1 . . . A 0 PRO CB . 25037 1 13 . 1 1 2 2 PRO CG C 13 27.223 0.400 . 1 . . . A 0 PRO CG . 25037 1 14 . 1 1 2 2 PRO CD C 13 49.695 0.400 . 1 . . . A 0 PRO CD . 25037 1 15 . 1 1 3 3 MET H H 1 8.665 0.020 . 1 . . . A 1 MET H . 25037 1 16 . 1 1 3 3 MET HA H 1 4.507 0.020 . 1 . . . A 1 MET HA . 25037 1 17 . 1 1 3 3 MET HB2 H 1 2.069 0.020 . 2 . . . A 1 MET HB2 . 25037 1 18 . 1 1 3 3 MET HB3 H 1 1.925 0.020 . 2 . . . A 1 MET HB3 . 25037 1 19 . 1 1 3 3 MET HG2 H 1 2.611 0.020 . 1 . . . A 1 MET HG2 . 25037 1 20 . 1 1 3 3 MET HG3 H 1 2.611 0.020 . 1 . . . A 1 MET HG3 . 25037 1 21 . 1 1 3 3 MET HE1 H 1 2.093 0.020 . 1 . . . A 1 MET HE1 . 25037 1 22 . 1 1 3 3 MET HE2 H 1 2.093 0.020 . 1 . . . A 1 MET HE2 . 25037 1 23 . 1 1 3 3 MET HE3 H 1 2.093 0.020 . 1 . . . A 1 MET HE3 . 25037 1 24 . 1 1 3 3 MET CB C 13 34.854 0.400 . 1 . . . A 1 MET CB . 25037 1 25 . 1 1 3 3 MET CG C 13 32.519 0.400 . 1 . . . A 1 MET CG . 25037 1 26 . 1 1 3 3 MET CE C 13 17.048 0.400 . 1 . . . A 1 MET CE . 25037 1 27 . 1 1 3 3 MET N N 15 122.140 0.400 . 1 . . . A 1 MET N . 25037 1 28 . 1 1 4 4 ASN H H 1 8.927 0.020 . 1 . . . A 2 ASN H . 25037 1 29 . 1 1 4 4 ASN HA H 1 4.807 0.020 . 1 . . . A 2 ASN HA . 25037 1 30 . 1 1 4 4 ASN HB2 H 1 2.947 0.020 . 1 . . . A 2 ASN HB2 . 25037 1 31 . 1 1 4 4 ASN HB3 H 1 2.947 0.020 . 1 . . . A 2 ASN HB3 . 25037 1 32 . 1 1 4 4 ASN HD21 H 1 7.689 0.020 . 2 . . . A 2 ASN HD21 . 25037 1 33 . 1 1 4 4 ASN HD22 H 1 6.977 0.020 . 2 . . . A 2 ASN HD22 . 25037 1 34 . 1 1 4 4 ASN CB C 13 39.205 0.400 . 1 . . . A 2 ASN CB . 25037 1 35 . 1 1 4 4 ASN N N 15 121.514 0.400 . 1 . . . A 2 ASN N . 25037 1 36 . 1 1 4 4 ASN ND2 N 15 113.453 0.400 . 1 . . . A 2 ASN ND2 . 25037 1 37 . 1 1 5 5 ILE H H 1 8.721 0.020 . 1 . . . A 3 ILE H . 25037 1 38 . 1 1 5 5 ILE HA H 1 3.959 0.020 . 1 . . . A 3 ILE HA . 25037 1 39 . 1 1 5 5 ILE HB H 1 1.990 0.020 . 1 . . . A 3 ILE HB . 25037 1 40 . 1 1 5 5 ILE HG12 H 1 1.989 0.020 . 2 . . . A 3 ILE HG12 . 25037 1 41 . 1 1 5 5 ILE HG13 H 1 1.845 0.020 . 2 . . . A 3 ILE HG13 . 25037 1 42 . 1 1 5 5 ILE HG21 H 1 1.030 0.020 . 1 . . . A 3 ILE HG21 . 25037 1 43 . 1 1 5 5 ILE HG22 H 1 1.030 0.020 . 1 . . . A 3 ILE HG22 . 25037 1 44 . 1 1 5 5 ILE HG23 H 1 1.030 0.020 . 1 . . . A 3 ILE HG23 . 25037 1 45 . 1 1 5 5 ILE HD11 H 1 1.031 0.020 . 1 . . . A 3 ILE HD11 . 25037 1 46 . 1 1 5 5 ILE HD12 H 1 1.031 0.020 . 1 . . . A 3 ILE HD12 . 25037 1 47 . 1 1 5 5 ILE HD13 H 1 1.031 0.020 . 1 . . . A 3 ILE HD13 . 25037 1 48 . 1 1 5 5 ILE CA C 13 65.293 0.400 . 1 . . . A 3 ILE CA . 25037 1 49 . 1 1 5 5 ILE CB C 13 38.104 0.400 . 1 . . . A 3 ILE CB . 25037 1 50 . 1 1 5 5 ILE CG1 C 13 29.636 0.400 . 1 . . . A 3 ILE CG1 . 25037 1 51 . 1 1 5 5 ILE CG2 C 13 17.174 0.400 . 1 . . . A 3 ILE CG2 . 25037 1 52 . 1 1 5 5 ILE CD1 C 13 14.048 0.400 . 1 . . . A 3 ILE CD1 . 25037 1 53 . 1 1 5 5 ILE N N 15 123.748 0.400 . 1 . . . A 3 ILE N . 25037 1 54 . 1 1 6 6 SER H H 1 8.386 0.020 . 1 . . . A 4 SER H . 25037 1 55 . 1 1 6 6 SER HA H 1 4.147 0.020 . 1 . . . A 4 SER HA . 25037 1 56 . 1 1 6 6 SER HB2 H 1 3.949 0.020 . 1 . . . A 4 SER HB2 . 25037 1 57 . 1 1 6 6 SER HB3 H 1 3.949 0.020 . 1 . . . A 4 SER HB3 . 25037 1 58 . 1 1 6 6 SER CA C 13 61.528 0.400 . 1 . . . A 4 SER CA . 25037 1 59 . 1 1 6 6 SER CB C 13 62.284 0.400 . 1 . . . A 4 SER CB . 25037 1 60 . 1 1 6 6 SER N N 15 115.783 0.400 . 1 . . . A 4 SER N . 25037 1 61 . 1 1 7 7 ASP H H 1 7.855 0.020 . 1 . . . A 5 ASP H . 25037 1 62 . 1 1 7 7 ASP HA H 1 4.623 0.020 . 1 . . . A 5 ASP HA . 25037 1 63 . 1 1 7 7 ASP HB2 H 1 2.917 0.020 . 2 . . . A 5 ASP HB2 . 25037 1 64 . 1 1 7 7 ASP HB3 H 1 2.763 0.020 . 2 . . . A 5 ASP HB3 . 25037 1 65 . 1 1 7 7 ASP CB C 13 40.842 0.400 . 1 . . . A 5 ASP CB . 25037 1 66 . 1 1 7 7 ASP N N 15 122.493 0.400 . 1 . . . A 5 ASP N . 25037 1 67 . 1 1 8 8 ILE H H 1 8.048 0.020 . 1 . . . A 6 ILE H . 25037 1 68 . 1 1 8 8 ILE HA H 1 3.797 0.020 . 1 . . . A 6 ILE HA . 25037 1 69 . 1 1 8 8 ILE HB H 1 2.223 0.020 . 1 . . . A 6 ILE HB . 25037 1 70 . 1 1 8 8 ILE HG12 H 1 1.786 0.020 . 2 . . . A 6 ILE HG12 . 25037 1 71 . 1 1 8 8 ILE HG13 H 1 1.150 0.020 . 2 . . . A 6 ILE HG13 . 25037 1 72 . 1 1 8 8 ILE HG21 H 1 1.085 0.020 . 1 . . . A 6 ILE HG21 . 25037 1 73 . 1 1 8 8 ILE HG22 H 1 1.085 0.020 . 1 . . . A 6 ILE HG22 . 25037 1 74 . 1 1 8 8 ILE HG23 H 1 1.085 0.020 . 1 . . . A 6 ILE HG23 . 25037 1 75 . 1 1 8 8 ILE HD11 H 1 0.988 0.020 . 1 . . . A 6 ILE HD11 . 25037 1 76 . 1 1 8 8 ILE HD12 H 1 0.988 0.020 . 1 . . . A 6 ILE HD12 . 25037 1 77 . 1 1 8 8 ILE HD13 H 1 0.988 0.020 . 1 . . . A 6 ILE HD13 . 25037 1 78 . 1 1 8 8 ILE CA C 13 64.772 0.400 . 1 . . . A 6 ILE CA . 25037 1 79 . 1 1 8 8 ILE CB C 13 38.324 0.400 . 1 . . . A 6 ILE CB . 25037 1 80 . 1 1 8 8 ILE CG1 C 13 29.390 0.400 . 1 . . . A 6 ILE CG1 . 25037 1 81 . 1 1 8 8 ILE CG2 C 13 17.665 0.400 . 1 . . . A 6 ILE CG2 . 25037 1 82 . 1 1 8 8 ILE CD1 C 13 14.073 0.400 . 1 . . . A 6 ILE CD1 . 25037 1 83 . 1 1 8 8 ILE N N 15 123.982 0.400 . 1 . . . A 6 ILE N . 25037 1 84 . 1 1 9 9 ARG H H 1 8.285 0.020 . 1 . . . A 7 ARG H . 25037 1 85 . 1 1 9 9 ARG HA H 1 3.817 0.020 . 1 . . . A 7 ARG HA . 25037 1 86 . 1 1 9 9 ARG HB2 H 1 1.537 0.020 . 2 . . . A 7 ARG HB2 . 25037 1 87 . 1 1 9 9 ARG HB3 H 1 1.095 0.020 . 2 . . . A 7 ARG HB3 . 25037 1 88 . 1 1 9 9 ARG HG2 H 1 1.855 0.020 . 2 . . . A 7 ARG HG2 . 25037 1 89 . 1 1 9 9 ARG HG3 H 1 1.791 0.020 . 2 . . . A 7 ARG HG3 . 25037 1 90 . 1 1 9 9 ARG HD2 H 1 3.074 0.020 . 1 . . . A 7 ARG HD2 . 25037 1 91 . 1 1 9 9 ARG HD3 H 1 3.074 0.020 . 1 . . . A 7 ARG HD3 . 25037 1 92 . 1 1 9 9 ARG HE H 1 6.182 0.020 . 1 . . . A 7 ARG HE . 25037 1 93 . 1 1 9 9 ARG CA C 13 59.732 0.400 . 1 . . . A 7 ARG CA . 25037 1 94 . 1 1 9 9 ARG CB C 13 30.047 0.400 . 1 . . . A 7 ARG CB . 25037 1 95 . 1 1 9 9 ARG CG C 13 27.752 0.400 . 1 . . . A 7 ARG CG . 25037 1 96 . 1 1 9 9 ARG CD C 13 43.296 0.400 . 1 . . . A 7 ARG CD . 25037 1 97 . 1 1 9 9 ARG N N 15 118.105 0.400 . 1 . . . A 7 ARG N . 25037 1 98 . 1 1 9 9 ARG NE N 15 84.106 0.400 . 1 . . . A 7 ARG NE . 25037 1 99 . 1 1 10 10 ALA H H 1 8.093 0.020 . 1 . . . A 8 ALA H . 25037 1 100 . 1 1 10 10 ALA HA H 1 4.123 0.020 . 1 . . . A 8 ALA HA . 25037 1 101 . 1 1 10 10 ALA HB1 H 1 1.564 0.020 . 1 . . . A 8 ALA HB1 . 25037 1 102 . 1 1 10 10 ALA HB2 H 1 1.564 0.020 . 1 . . . A 8 ALA HB2 . 25037 1 103 . 1 1 10 10 ALA HB3 H 1 1.564 0.020 . 1 . . . A 8 ALA HB3 . 25037 1 104 . 1 1 10 10 ALA CA C 13 55.093 0.400 . 1 . . . A 8 ALA CA . 25037 1 105 . 1 1 10 10 ALA CB C 13 18.553 0.400 . 1 . . . A 8 ALA CB . 25037 1 106 . 1 1 10 10 ALA N N 15 118.807 0.400 . 1 . . . A 8 ALA N . 25037 1 107 . 1 1 11 11 GLY H H 1 8.358 0.020 . 1 . . . A 9 GLY H . 25037 1 108 . 1 1 11 11 GLY HA2 H 1 3.829 0.020 . 2 . . . A 9 GLY HA2 . 25037 1 109 . 1 1 11 11 GLY HA3 H 1 3.951 0.020 . 2 . . . A 9 GLY HA3 . 25037 1 110 . 1 1 11 11 GLY CA C 13 47.084 0.400 . 1 . . . A 9 GLY CA . 25037 1 111 . 1 1 11 11 GLY N N 15 107.079 0.400 . 1 . . . A 9 GLY N . 25037 1 112 . 1 1 12 12 LEU H H 1 8.116 0.020 . 1 . . . A 10 LEU H . 25037 1 113 . 1 1 12 12 LEU HA H 1 4.130 0.020 . 1 . . . A 10 LEU HA . 25037 1 114 . 1 1 12 12 LEU HB2 H 1 1.407 0.020 . 2 . . . A 10 LEU HB2 . 25037 1 115 . 1 1 12 12 LEU HB3 H 1 2.071 0.020 . 2 . . . A 10 LEU HB3 . 25037 1 116 . 1 1 12 12 LEU HG H 1 2.118 0.020 . 1 . . . A 10 LEU HG . 25037 1 117 . 1 1 12 12 LEU HD11 H 1 1.019 0.020 . 2 . . . A 10 LEU HD11 . 25037 1 118 . 1 1 12 12 LEU HD12 H 1 1.019 0.020 . 2 . . . A 10 LEU HD12 . 25037 1 119 . 1 1 12 12 LEU HD13 H 1 1.019 0.020 . 2 . . . A 10 LEU HD13 . 25037 1 120 . 1 1 12 12 LEU HD21 H 1 0.954 0.020 . 2 . . . A 10 LEU HD21 . 25037 1 121 . 1 1 12 12 LEU HD22 H 1 0.954 0.020 . 2 . . . A 10 LEU HD22 . 25037 1 122 . 1 1 12 12 LEU HD23 H 1 0.954 0.020 . 2 . . . A 10 LEU HD23 . 25037 1 123 . 1 1 12 12 LEU CA C 13 57.979 0.400 . 1 . . . A 10 LEU CA . 25037 1 124 . 1 1 12 12 LEU CB C 13 42.652 0.400 . 1 . . . A 10 LEU CB . 25037 1 125 . 1 1 12 12 LEU CG C 13 27.522 0.400 . 1 . . . A 10 LEU CG . 25037 1 126 . 1 1 12 12 LEU CD1 C 13 28.090 0.400 . 1 . . . A 10 LEU CD1 . 25037 1 127 . 1 1 12 12 LEU CD2 C 13 24.461 0.400 . 1 . . . A 10 LEU CD2 . 25037 1 128 . 1 1 12 12 LEU N N 15 121.077 0.400 . 1 . . . A 10 LEU N . 25037 1 129 . 1 1 13 13 ARG H H 1 8.472 0.020 . 1 . . . A 11 ARG H . 25037 1 130 . 1 1 13 13 ARG HA H 1 3.803 0.020 . 1 . . . A 11 ARG HA . 25037 1 131 . 1 1 13 13 ARG HB2 H 1 1.985 0.020 . 1 . . . A 11 ARG HB2 . 25037 1 132 . 1 1 13 13 ARG HB3 H 1 1.985 0.020 . 1 . . . A 11 ARG HB3 . 25037 1 133 . 1 1 13 13 ARG HG2 H 1 1.743 0.020 . 2 . . . A 11 ARG HG2 . 25037 1 134 . 1 1 13 13 ARG HG3 H 1 1.571 0.020 . 2 . . . A 11 ARG HG3 . 25037 1 135 . 1 1 13 13 ARG HD2 H 1 3.226 0.020 . 1 . . . A 11 ARG HD2 . 25037 1 136 . 1 1 13 13 ARG HD3 H 1 3.226 0.020 . 1 . . . A 11 ARG HD3 . 25037 1 137 . 1 1 13 13 ARG CA C 13 60.425 0.400 . 1 . . . A 11 ARG CA . 25037 1 138 . 1 1 13 13 ARG CB C 13 30.321 0.400 . 1 . . . A 11 ARG CB . 25037 1 139 . 1 1 13 13 ARG CG C 13 27.755 0.400 . 1 . . . A 11 ARG CG . 25037 1 140 . 1 1 13 13 ARG CD C 13 43.461 0.400 . 1 . . . A 11 ARG CD . 25037 1 141 . 1 1 13 13 ARG N N 15 118.227 0.400 . 1 . . . A 11 ARG N . 25037 1 142 . 1 1 14 14 THR H H 1 8.180 0.020 . 1 . . . A 12 THR H . 25037 1 143 . 1 1 14 14 THR HA H 1 3.965 0.020 . 1 . . . A 12 THR HA . 25037 1 144 . 1 1 14 14 THR HB H 1 4.232 0.020 . 1 . . . A 12 THR HB . 25037 1 145 . 1 1 14 14 THR HG21 H 1 1.299 0.020 . 1 . . . A 12 THR HG21 . 25037 1 146 . 1 1 14 14 THR HG22 H 1 1.299 0.020 . 1 . . . A 12 THR HG22 . 25037 1 147 . 1 1 14 14 THR HG23 H 1 1.299 0.020 . 1 . . . A 12 THR HG23 . 25037 1 148 . 1 1 14 14 THR CA C 13 66.730 0.400 . 1 . . . A 12 THR CA . 25037 1 149 . 1 1 14 14 THR CB C 13 69.178 0.400 . 1 . . . A 12 THR CB . 25037 1 150 . 1 1 14 14 THR CG2 C 13 21.682 0.400 . 1 . . . A 12 THR CG2 . 25037 1 151 . 1 1 14 14 THR N N 15 114.121 0.400 . 1 . . . A 12 THR N . 25037 1 152 . 1 1 15 15 LEU H H 1 7.156 0.020 . 1 . . . A 13 LEU H . 25037 1 153 . 1 1 15 15 LEU HA H 1 4.100 0.020 . 1 . . . A 13 LEU HA . 25037 1 154 . 1 1 15 15 LEU HB2 H 1 1.160 0.020 . 2 . . . A 13 LEU HB2 . 25037 1 155 . 1 1 15 15 LEU HB3 H 1 1.917 0.020 . 2 . . . A 13 LEU HB3 . 25037 1 156 . 1 1 15 15 LEU HG H 1 1.915 0.020 . 1 . . . A 13 LEU HG . 25037 1 157 . 1 1 15 15 LEU HD11 H 1 0.576 0.020 . 2 . . . A 13 LEU HD11 . 25037 1 158 . 1 1 15 15 LEU HD12 H 1 0.576 0.020 . 2 . . . A 13 LEU HD12 . 25037 1 159 . 1 1 15 15 LEU HD13 H 1 0.576 0.020 . 2 . . . A 13 LEU HD13 . 25037 1 160 . 1 1 15 15 LEU HD21 H 1 0.750 0.020 . 2 . . . A 13 LEU HD21 . 25037 1 161 . 1 1 15 15 LEU HD22 H 1 0.750 0.020 . 2 . . . A 13 LEU HD22 . 25037 1 162 . 1 1 15 15 LEU HD23 H 1 0.750 0.020 . 2 . . . A 13 LEU HD23 . 25037 1 163 . 1 1 15 15 LEU CA C 13 58.068 0.400 . 1 . . . A 13 LEU CA . 25037 1 164 . 1 1 15 15 LEU CB C 13 43.019 0.400 . 1 . . . A 13 LEU CB . 25037 1 165 . 1 1 15 15 LEU CG C 13 26.522 0.400 . 1 . . . A 13 LEU CG . 25037 1 166 . 1 1 15 15 LEU CD1 C 13 26.257 0.400 . 1 . . . A 13 LEU CD1 . 25037 1 167 . 1 1 15 15 LEU CD2 C 13 22.997 0.400 . 1 . . . A 13 LEU CD2 . 25037 1 168 . 1 1 15 15 LEU N N 15 119.606 0.400 . 1 . . . A 13 LEU N . 25037 1 169 . 1 1 16 16 VAL H H 1 7.785 0.020 . 1 . . . A 14 VAL H . 25037 1 170 . 1 1 16 16 VAL HA H 1 3.808 0.020 . 1 . . . A 14 VAL HA . 25037 1 171 . 1 1 16 16 VAL HB H 1 1.923 0.020 . 1 . . . A 14 VAL HB . 25037 1 172 . 1 1 16 16 VAL HG11 H 1 0.568 0.020 . 2 . . . A 14 VAL HG11 . 25037 1 173 . 1 1 16 16 VAL HG12 H 1 0.568 0.020 . 2 . . . A 14 VAL HG12 . 25037 1 174 . 1 1 16 16 VAL HG13 H 1 0.568 0.020 . 2 . . . A 14 VAL HG13 . 25037 1 175 . 1 1 16 16 VAL HG21 H 1 0.589 0.020 . 2 . . . A 14 VAL HG21 . 25037 1 176 . 1 1 16 16 VAL HG22 H 1 0.589 0.020 . 2 . . . A 14 VAL HG22 . 25037 1 177 . 1 1 16 16 VAL HG23 H 1 0.589 0.020 . 2 . . . A 14 VAL HG23 . 25037 1 178 . 1 1 16 16 VAL CA C 13 65.464 0.400 . 1 . . . A 14 VAL CA . 25037 1 179 . 1 1 16 16 VAL CB C 13 31.895 0.400 . 1 . . . A 14 VAL CB . 25037 1 180 . 1 1 16 16 VAL CG1 C 13 22.077 0.400 . 1 . . . A 14 VAL CG1 . 25037 1 181 . 1 1 16 16 VAL CG2 C 13 21.010 0.400 . 1 . . . A 14 VAL CG2 . 25037 1 182 . 1 1 16 16 VAL N N 15 117.777 0.400 . 1 . . . A 14 VAL N . 25037 1 183 . 1 1 17 17 GLU H H 1 8.961 0.020 . 1 . . . A 15 GLU H . 25037 1 184 . 1 1 17 17 GLU HA H 1 4.069 0.020 . 1 . . . A 15 GLU HA . 25037 1 185 . 1 1 17 17 GLU HB2 H 1 2.171 0.020 . 2 . . . A 15 GLU HB2 . 25037 1 186 . 1 1 17 17 GLU HB3 H 1 2.061 0.020 . 2 . . . A 15 GLU HB3 . 25037 1 187 . 1 1 17 17 GLU HG2 H 1 2.497 0.020 . 2 . . . A 15 GLU HG2 . 25037 1 188 . 1 1 17 17 GLU HG3 H 1 2.336 0.020 . 2 . . . A 15 GLU HG3 . 25037 1 189 . 1 1 17 17 GLU CA C 13 57.624 0.400 . 1 . . . A 15 GLU CA . 25037 1 190 . 1 1 17 17 GLU CB C 13 29.196 0.400 . 1 . . . A 15 GLU CB . 25037 1 191 . 1 1 17 17 GLU CG C 13 37.098 0.400 . 1 . . . A 15 GLU CG . 25037 1 192 . 1 1 17 17 GLU N N 15 123.041 0.400 . 1 . . . A 15 GLU N . 25037 1 193 . 1 1 18 18 ASN H H 1 7.863 0.020 . 1 . . . A 16 ASN H . 25037 1 194 . 1 1 18 18 ASN HA H 1 4.827 0.020 . 1 . . . A 16 ASN HA . 25037 1 195 . 1 1 18 18 ASN HB2 H 1 3.108 0.020 . 2 . . . A 16 ASN HB2 . 25037 1 196 . 1 1 18 18 ASN HB3 H 1 2.940 0.020 . 2 . . . A 16 ASN HB3 . 25037 1 197 . 1 1 18 18 ASN HD21 H 1 7.863 0.020 . 2 . . . A 16 ASN HD21 . 25037 1 198 . 1 1 18 18 ASN HD22 H 1 6.913 0.020 . 2 . . . A 16 ASN HD22 . 25037 1 199 . 1 1 18 18 ASN CB C 13 38.526 0.400 . 1 . . . A 16 ASN CB . 25037 1 200 . 1 1 18 18 ASN N N 15 114.935 0.400 . 1 . . . A 16 ASN N . 25037 1 201 . 1 1 18 18 ASN ND2 N 15 112.250 0.400 . 1 . . . A 16 ASN ND2 . 25037 1 202 . 1 1 19 19 GLU H H 1 8.008 0.020 . 1 . . . A 17 GLU H . 25037 1 203 . 1 1 19 19 GLU HA H 1 4.070 0.020 . 1 . . . A 17 GLU HA . 25037 1 204 . 1 1 19 19 GLU HB2 H 1 2.201 0.020 . 1 . . . A 17 GLU HB2 . 25037 1 205 . 1 1 19 19 GLU HB3 H 1 2.201 0.020 . 1 . . . A 17 GLU HB3 . 25037 1 206 . 1 1 19 19 GLU HG2 H 1 2.342 0.020 . 2 . . . A 17 GLU HG2 . 25037 1 207 . 1 1 19 19 GLU HG3 H 1 2.278 0.020 . 2 . . . A 17 GLU HG3 . 25037 1 208 . 1 1 19 19 GLU CA C 13 57.624 0.400 . 1 . . . A 17 GLU CA . 25037 1 209 . 1 1 19 19 GLU CB C 13 29.144 0.400 . 1 . . . A 17 GLU CB . 25037 1 210 . 1 1 19 19 GLU CG C 13 36.388 0.400 . 1 . . . A 17 GLU CG . 25037 1 211 . 1 1 19 19 GLU N N 15 113.841 0.400 . 1 . . . A 17 GLU N . 25037 1 212 . 1 1 20 20 GLU H H 1 8.517 0.020 . 1 . . . A 18 GLU H . 25037 1 213 . 1 1 20 20 GLU HA H 1 4.310 0.020 . 1 . . . A 18 GLU HA . 25037 1 214 . 1 1 20 20 GLU HB2 H 1 1.957 0.020 . 1 . . . A 18 GLU HB2 . 25037 1 215 . 1 1 20 20 GLU HB3 H 1 1.957 0.020 . 1 . . . A 18 GLU HB3 . 25037 1 216 . 1 1 20 20 GLU HG2 H 1 2.299 0.020 . 2 . . . A 18 GLU HG2 . 25037 1 217 . 1 1 20 20 GLU HG3 H 1 2.354 0.020 . 2 . . . A 18 GLU HG3 . 25037 1 218 . 1 1 20 20 GLU CA C 13 58.253 0.400 . 1 . . . A 18 GLU CA . 25037 1 219 . 1 1 20 20 GLU CB C 13 30.377 0.400 . 1 . . . A 18 GLU CB . 25037 1 220 . 1 1 20 20 GLU CG C 13 37.296 0.400 . 1 . . . A 18 GLU CG . 25037 1 221 . 1 1 20 20 GLU N N 15 117.787 0.400 . 1 . . . A 18 GLU N . 25037 1 222 . 1 1 21 21 THR H H 1 7.457 0.020 . 1 . . . A 19 THR H . 25037 1 223 . 1 1 21 21 THR HA H 1 4.562 0.020 . 1 . . . A 19 THR HA . 25037 1 224 . 1 1 21 21 THR HB H 1 4.212 0.020 . 1 . . . A 19 THR HB . 25037 1 225 . 1 1 21 21 THR HG21 H 1 0.821 0.020 . 1 . . . A 19 THR HG21 . 25037 1 226 . 1 1 21 21 THR HG22 H 1 0.821 0.020 . 1 . . . A 19 THR HG22 . 25037 1 227 . 1 1 21 21 THR HG23 H 1 0.821 0.020 . 1 . . . A 19 THR HG23 . 25037 1 228 . 1 1 21 21 THR CB C 13 68.196 0.400 . 1 . . . A 19 THR CB . 25037 1 229 . 1 1 21 21 THR CG2 C 13 19.903 0.400 . 1 . . . A 19 THR CG2 . 25037 1 230 . 1 1 21 21 THR N N 15 110.292 0.400 . 1 . . . A 19 THR N . 25037 1 231 . 1 1 22 22 THR H H 1 8.188 0.020 . 1 . . . A 20 THR H . 25037 1 232 . 1 1 22 22 THR HA H 1 4.633 0.020 . 1 . . . A 20 THR HA . 25037 1 233 . 1 1 22 22 THR HB H 1 4.507 0.020 . 1 . . . A 20 THR HB . 25037 1 234 . 1 1 22 22 THR HG21 H 1 1.217 0.020 . 1 . . . A 20 THR HG21 . 25037 1 235 . 1 1 22 22 THR HG22 H 1 1.217 0.020 . 1 . . . A 20 THR HG22 . 25037 1 236 . 1 1 22 22 THR HG23 H 1 1.217 0.020 . 1 . . . A 20 THR HG23 . 25037 1 237 . 1 1 22 22 THR CG2 C 13 21.641 0.400 . 1 . . . A 20 THR CG2 . 25037 1 238 . 1 1 22 22 THR N N 15 109.626 0.400 . 1 . . . A 20 THR N . 25037 1 239 . 1 1 23 23 PHE H H 1 8.714 0.020 . 1 . . . A 21 PHE H . 25037 1 240 . 1 1 23 23 PHE HA H 1 4.238 0.020 . 1 . . . A 21 PHE HA . 25037 1 241 . 1 1 23 23 PHE HB2 H 1 3.032 0.020 . 2 . . . A 21 PHE HB2 . 25037 1 242 . 1 1 23 23 PHE HB3 H 1 3.103 0.020 . 2 . . . A 21 PHE HB3 . 25037 1 243 . 1 1 23 23 PHE HD1 H 1 7.144 0.020 . 1 . . . A 21 PHE HD1 . 25037 1 244 . 1 1 23 23 PHE HD2 H 1 7.144 0.020 . 1 . . . A 21 PHE HD2 . 25037 1 245 . 1 1 23 23 PHE HE1 H 1 7.282 0.020 . 1 . . . A 21 PHE HE1 . 25037 1 246 . 1 1 23 23 PHE HE2 H 1 7.282 0.020 . 1 . . . A 21 PHE HE2 . 25037 1 247 . 1 1 23 23 PHE HZ H 1 7.346 0.020 . 1 . . . A 21 PHE HZ . 25037 1 248 . 1 1 23 23 PHE CA C 13 60.267 0.400 . 1 . . . A 21 PHE CA . 25037 1 249 . 1 1 23 23 PHE CB C 13 37.796 0.400 . 1 . . . A 21 PHE CB . 25037 1 250 . 1 1 23 23 PHE N N 15 118.935 0.400 . 1 . . . A 21 PHE N . 25037 1 251 . 1 1 24 24 LYS H H 1 8.234 0.020 . 1 . . . A 22 LYS H . 25037 1 252 . 1 1 24 24 LYS HA H 1 3.881 0.020 . 1 . . . A 22 LYS HA . 25037 1 253 . 1 1 24 24 LYS HB2 H 1 1.879 0.020 . 2 . . . A 22 LYS HB2 . 25037 1 254 . 1 1 24 24 LYS HB3 H 1 1.794 0.020 . 2 . . . A 22 LYS HB3 . 25037 1 255 . 1 1 24 24 LYS HG2 H 1 1.531 0.020 . 2 . . . A 22 LYS HG2 . 25037 1 256 . 1 1 24 24 LYS HG3 H 1 1.426 0.020 . 2 . . . A 22 LYS HG3 . 25037 1 257 . 1 1 24 24 LYS HD2 H 1 1.704 0.020 . 1 . . . A 22 LYS HD2 . 25037 1 258 . 1 1 24 24 LYS HD3 H 1 1.704 0.020 . 1 . . . A 22 LYS HD3 . 25037 1 259 . 1 1 24 24 LYS HE2 H 1 3.014 0.020 . 1 . . . A 22 LYS HE2 . 25037 1 260 . 1 1 24 24 LYS HE3 H 1 3.014 0.020 . 1 . . . A 22 LYS HE3 . 25037 1 261 . 1 1 24 24 LYS CA C 13 59.589 0.400 . 1 . . . A 22 LYS CA . 25037 1 262 . 1 1 24 24 LYS CB C 13 32.513 0.400 . 1 . . . A 22 LYS CB . 25037 1 263 . 1 1 24 24 LYS CG C 13 25.145 0.400 . 1 . . . A 22 LYS CG . 25037 1 264 . 1 1 24 24 LYS CD C 13 29.172 0.400 . 1 . . . A 22 LYS CD . 25037 1 265 . 1 1 24 24 LYS CE C 13 42.001 0.400 . 1 . . . A 22 LYS CE . 25037 1 266 . 1 1 24 24 LYS N N 15 116.962 0.400 . 1 . . . A 22 LYS N . 25037 1 267 . 1 1 25 25 GLN H H 1 7.859 0.020 . 1 . . . A 23 GLN H . 25037 1 268 . 1 1 25 25 GLN HA H 1 3.975 0.020 . 1 . . . A 23 GLN HA . 25037 1 269 . 1 1 25 25 GLN HB2 H 1 2.148 0.020 . 1 . . . A 23 GLN HB2 . 25037 1 270 . 1 1 25 25 GLN HB3 H 1 2.148 0.020 . 1 . . . A 23 GLN HB3 . 25037 1 271 . 1 1 25 25 GLN HG2 H 1 2.496 0.020 . 2 . . . A 23 GLN HG2 . 25037 1 272 . 1 1 25 25 GLN HG3 H 1 2.438 0.020 . 2 . . . A 23 GLN HG3 . 25037 1 273 . 1 1 25 25 GLN HE21 H 1 8.281 0.020 . 2 . . . A 23 GLN HE21 . 25037 1 274 . 1 1 25 25 GLN HE22 H 1 6.987 0.020 . 2 . . . A 23 GLN HE22 . 25037 1 275 . 1 1 25 25 GLN CA C 13 58.974 0.400 . 1 . . . A 23 GLN CA . 25037 1 276 . 1 1 25 25 GLN CB C 13 27.940 0.400 . 1 . . . A 23 GLN CB . 25037 1 277 . 1 1 25 25 GLN CG C 13 33.116 0.400 . 1 . . . A 23 GLN CG . 25037 1 278 . 1 1 25 25 GLN N N 15 121.042 0.400 . 1 . . . A 23 GLN N . 25037 1 279 . 1 1 25 25 GLN NE2 N 15 113.134 0.400 . 1 . . . A 23 GLN NE2 . 25037 1 280 . 1 1 26 26 ILE H H 1 7.871 0.020 . 1 . . . A 24 ILE H . 25037 1 281 . 1 1 26 26 ILE HA H 1 2.842 0.020 . 1 . . . A 24 ILE HA . 25037 1 282 . 1 1 26 26 ILE HB H 1 1.297 0.020 . 1 . . . A 24 ILE HB . 25037 1 283 . 1 1 26 26 ILE HG12 H 1 1.504 0.020 . 2 . . . A 24 ILE HG12 . 25037 1 284 . 1 1 26 26 ILE HG13 H 1 -0.614 0.020 . 2 . . . A 24 ILE HG13 . 25037 1 285 . 1 1 26 26 ILE HG21 H 1 -0.205 0.020 . 1 . . . A 24 ILE HG21 . 25037 1 286 . 1 1 26 26 ILE HG22 H 1 -0.205 0.020 . 1 . . . A 24 ILE HG22 . 25037 1 287 . 1 1 26 26 ILE HG23 H 1 -0.205 0.020 . 1 . . . A 24 ILE HG23 . 25037 1 288 . 1 1 26 26 ILE HD11 H 1 0.209 0.020 . 1 . . . A 24 ILE HD11 . 25037 1 289 . 1 1 26 26 ILE HD12 H 1 0.209 0.020 . 1 . . . A 24 ILE HD12 . 25037 1 290 . 1 1 26 26 ILE HD13 H 1 0.209 0.020 . 1 . . . A 24 ILE HD13 . 25037 1 291 . 1 1 26 26 ILE CA C 13 65.094 0.400 . 1 . . . A 24 ILE CA . 25037 1 292 . 1 1 26 26 ILE CB C 13 37.778 0.400 . 1 . . . A 24 ILE CB . 25037 1 293 . 1 1 26 26 ILE CG1 C 13 26.797 0.400 . 1 . . . A 24 ILE CG1 . 25037 1 294 . 1 1 26 26 ILE CG2 C 13 16.980 0.400 . 1 . . . A 24 ILE CG2 . 25037 1 295 . 1 1 26 26 ILE CD1 C 13 13.808 0.400 . 1 . . . A 24 ILE CD1 . 25037 1 296 . 1 1 26 26 ILE N N 15 118.125 0.400 . 1 . . . A 24 ILE N . 25037 1 297 . 1 1 27 27 ALA H H 1 8.452 0.020 . 1 . . . A 25 ALA H . 25037 1 298 . 1 1 27 27 ALA HA H 1 3.855 0.020 . 1 . . . A 25 ALA HA . 25037 1 299 . 1 1 27 27 ALA HB1 H 1 1.433 0.020 . 1 . . . A 25 ALA HB1 . 25037 1 300 . 1 1 27 27 ALA HB2 H 1 1.433 0.020 . 1 . . . A 25 ALA HB2 . 25037 1 301 . 1 1 27 27 ALA HB3 H 1 1.433 0.020 . 1 . . . A 25 ALA HB3 . 25037 1 302 . 1 1 27 27 ALA CA C 13 55.982 0.400 . 1 . . . A 25 ALA CA . 25037 1 303 . 1 1 27 27 ALA CB C 13 19.314 0.400 . 1 . . . A 25 ALA CB . 25037 1 304 . 1 1 27 27 ALA N N 15 125.380 0.400 . 1 . . . A 25 ALA N . 25037 1 305 . 1 1 28 28 LEU H H 1 7.936 0.020 . 1 . . . A 26 LEU H . 25037 1 306 . 1 1 28 28 LEU HA H 1 4.041 0.020 . 1 . . . A 26 LEU HA . 25037 1 307 . 1 1 28 28 LEU HB2 H 1 1.762 0.020 . 2 . . . A 26 LEU HB2 . 25037 1 308 . 1 1 28 28 LEU HB3 H 1 1.858 0.020 . 2 . . . A 26 LEU HB3 . 25037 1 309 . 1 1 28 28 LEU HG H 1 1.756 0.020 . 1 . . . A 26 LEU HG . 25037 1 310 . 1 1 28 28 LEU HD11 H 1 0.945 0.020 . 2 . . . A 26 LEU HD11 . 25037 1 311 . 1 1 28 28 LEU HD12 H 1 0.945 0.020 . 2 . . . A 26 LEU HD12 . 25037 1 312 . 1 1 28 28 LEU HD13 H 1 0.945 0.020 . 2 . . . A 26 LEU HD13 . 25037 1 313 . 1 1 28 28 LEU HD21 H 1 0.947 0.020 . 2 . . . A 26 LEU HD21 . 25037 1 314 . 1 1 28 28 LEU HD22 H 1 0.947 0.020 . 2 . . . A 26 LEU HD22 . 25037 1 315 . 1 1 28 28 LEU HD23 H 1 0.947 0.020 . 2 . . . A 26 LEU HD23 . 25037 1 316 . 1 1 28 28 LEU CA C 13 57.976 0.400 . 1 . . . A 26 LEU CA . 25037 1 317 . 1 1 28 28 LEU CB C 13 42.337 0.400 . 1 . . . A 26 LEU CB . 25037 1 318 . 1 1 28 28 LEU CG C 13 26.953 0.400 . 1 . . . A 26 LEU CG . 25037 1 319 . 1 1 28 28 LEU CD1 C 13 24.616 0.400 . 1 . . . A 26 LEU CD1 . 25037 1 320 . 1 1 28 28 LEU CD2 C 13 24.978 0.400 . 1 . . . A 26 LEU CD2 . 25037 1 321 . 1 1 28 28 LEU N N 15 119.285 0.400 . 1 . . . A 26 LEU N . 25037 1 322 . 1 1 29 29 GLU H H 1 8.050 0.020 . 1 . . . A 27 GLU H . 25037 1 323 . 1 1 29 29 GLU HA H 1 4.209 0.020 . 1 . . . A 27 GLU HA . 25037 1 324 . 1 1 29 29 GLU HB2 H 1 2.342 0.020 . 2 . . . A 27 GLU HB2 . 25037 1 325 . 1 1 29 29 GLU HB3 H 1 2.290 0.020 . 2 . . . A 27 GLU HB3 . 25037 1 326 . 1 1 29 29 GLU HG2 H 1 2.757 0.020 . 2 . . . A 27 GLU HG2 . 25037 1 327 . 1 1 29 29 GLU HG3 H 1 2.362 0.020 . 2 . . . A 27 GLU HG3 . 25037 1 328 . 1 1 29 29 GLU CA C 13 58.243 0.400 . 1 . . . A 27 GLU CA . 25037 1 329 . 1 1 29 29 GLU CB C 13 30.836 0.400 . 1 . . . A 27 GLU CB . 25037 1 330 . 1 1 29 29 GLU CG C 13 37.389 0.400 . 1 . . . A 27 GLU CG . 25037 1 331 . 1 1 29 29 GLU N N 15 115.748 0.400 . 1 . . . A 27 GLU N . 25037 1 332 . 1 1 30 30 SER H H 1 8.476 0.020 . 1 . . . A 28 SER H . 25037 1 333 . 1 1 30 30 SER HA H 1 4.597 0.020 . 1 . . . A 28 SER HA . 25037 1 334 . 1 1 30 30 SER HB2 H 1 3.595 0.020 . 2 . . . A 28 SER HB2 . 25037 1 335 . 1 1 30 30 SER HB3 H 1 3.710 0.020 . 2 . . . A 28 SER HB3 . 25037 1 336 . 1 1 30 30 SER HG H 1 4.553 0.020 . 1 . . . A 28 SER HG . 25037 1 337 . 1 1 30 30 SER CB C 13 65.743 0.400 . 1 . . . A 28 SER CB . 25037 1 338 . 1 1 30 30 SER N N 15 113.421 0.400 . 1 . . . A 28 SER N . 25037 1 339 . 1 1 31 31 GLY H H 1 8.074 0.020 . 1 . . . A 29 GLY H . 25037 1 340 . 1 1 31 31 GLY HA2 H 1 4.204 0.020 . 2 . . . A 29 GLY HA2 . 25037 1 341 . 1 1 31 31 GLY HA3 H 1 3.869 0.020 . 2 . . . A 29 GLY HA3 . 25037 1 342 . 1 1 31 31 GLY CA C 13 45.893 0.400 . 1 . . . A 29 GLY CA . 25037 1 343 . 1 1 31 31 GLY N N 15 112.001 0.400 . 1 . . . A 29 GLY N . 25037 1 344 . 1 1 32 32 LEU H H 1 7.545 0.020 . 1 . . . A 30 LEU H . 25037 1 345 . 1 1 32 32 LEU HA H 1 4.609 0.020 . 1 . . . A 30 LEU HA . 25037 1 346 . 1 1 32 32 LEU HB2 H 1 1.183 0.020 . 2 . . . A 30 LEU HB2 . 25037 1 347 . 1 1 32 32 LEU HB3 H 1 1.511 0.020 . 2 . . . A 30 LEU HB3 . 25037 1 348 . 1 1 32 32 LEU HG H 1 1.480 0.020 . 1 . . . A 30 LEU HG . 25037 1 349 . 1 1 32 32 LEU HD11 H 1 0.624 0.020 . 2 . . . A 30 LEU HD11 . 25037 1 350 . 1 1 32 32 LEU HD12 H 1 0.624 0.020 . 2 . . . A 30 LEU HD12 . 25037 1 351 . 1 1 32 32 LEU HD13 H 1 0.624 0.020 . 2 . . . A 30 LEU HD13 . 25037 1 352 . 1 1 32 32 LEU HD21 H 1 0.876 0.020 . 2 . . . A 30 LEU HD21 . 25037 1 353 . 1 1 32 32 LEU HD22 H 1 0.876 0.020 . 2 . . . A 30 LEU HD22 . 25037 1 354 . 1 1 32 32 LEU HD23 H 1 0.876 0.020 . 2 . . . A 30 LEU HD23 . 25037 1 355 . 1 1 32 32 LEU CB C 13 44.177 0.400 . 1 . . . A 30 LEU CB . 25037 1 356 . 1 1 32 32 LEU CG C 13 26.718 0.400 . 1 . . . A 30 LEU CG . 25037 1 357 . 1 1 32 32 LEU CD1 C 13 26.757 0.400 . 1 . . . A 30 LEU CD1 . 25037 1 358 . 1 1 32 32 LEU CD2 C 13 22.934 0.400 . 1 . . . A 30 LEU CD2 . 25037 1 359 . 1 1 32 32 LEU N N 15 120.750 0.400 . 1 . . . A 30 LEU N . 25037 1 360 . 1 1 33 33 SER H H 1 8.326 0.020 . 1 . . . A 31 SER H . 25037 1 361 . 1 1 33 33 SER HA H 1 4.568 0.020 . 1 . . . A 31 SER HA . 25037 1 362 . 1 1 33 33 SER HB2 H 1 4.318 0.020 . 2 . . . A 31 SER HB2 . 25037 1 363 . 1 1 33 33 SER HB3 H 1 4.036 0.020 . 2 . . . A 31 SER HB3 . 25037 1 364 . 1 1 33 33 SER CB C 13 64.928 0.400 . 1 . . . A 31 SER CB . 25037 1 365 . 1 1 33 33 SER N N 15 113.993 0.400 . 1 . . . A 31 SER N . 25037 1 366 . 1 1 34 34 THR HA H 1 3.606 0.020 . 1 . . . A 32 THR HA . 25037 1 367 . 1 1 34 34 THR HB H 1 4.107 0.020 . 1 . . . A 32 THR HB . 25037 1 368 . 1 1 34 34 THR HG21 H 1 1.201 0.020 . 1 . . . A 32 THR HG21 . 25037 1 369 . 1 1 34 34 THR HG22 H 1 1.201 0.020 . 1 . . . A 32 THR HG22 . 25037 1 370 . 1 1 34 34 THR HG23 H 1 1.201 0.020 . 1 . . . A 32 THR HG23 . 25037 1 371 . 1 1 34 34 THR CA C 13 66.547 0.400 . 1 . . . A 32 THR CA . 25037 1 372 . 1 1 34 34 THR CB C 13 67.740 0.400 . 1 . . . A 32 THR CB . 25037 1 373 . 1 1 34 34 THR CG2 C 13 22.844 0.400 . 1 . . . A 32 THR CG2 . 25037 1 374 . 1 1 35 35 GLY H H 1 7.877 0.020 . 1 . . . A 33 GLY H . 25037 1 375 . 1 1 35 35 GLY HA2 H 1 3.859 0.020 . 2 . . . A 33 GLY HA2 . 25037 1 376 . 1 1 35 35 GLY HA3 H 1 3.794 0.020 . 2 . . . A 33 GLY HA3 . 25037 1 377 . 1 1 35 35 GLY CA C 13 46.761 0.400 . 1 . . . A 33 GLY CA . 25037 1 378 . 1 1 36 36 THR H H 1 7.877 0.020 . 1 . . . A 34 THR H . 25037 1 379 . 1 1 36 36 THR HA H 1 3.737 0.020 . 1 . . . A 34 THR HA . 25037 1 380 . 1 1 36 36 THR HB H 1 4.257 0.020 . 1 . . . A 34 THR HB . 25037 1 381 . 1 1 36 36 THR HG21 H 1 0.734 0.020 . 1 . . . A 34 THR HG21 . 25037 1 382 . 1 1 36 36 THR HG22 H 1 0.734 0.020 . 1 . . . A 34 THR HG22 . 25037 1 383 . 1 1 36 36 THR HG23 H 1 0.734 0.020 . 1 . . . A 34 THR HG23 . 25037 1 384 . 1 1 36 36 THR CA C 13 66.578 0.400 . 1 . . . A 34 THR CA . 25037 1 385 . 1 1 36 36 THR CB C 13 67.956 0.400 . 1 . . . A 34 THR CB . 25037 1 386 . 1 1 36 36 THR CG2 C 13 22.194 0.400 . 1 . . . A 34 THR CG2 . 25037 1 387 . 1 1 36 36 THR N N 15 121.948 0.400 . 1 . . . A 34 THR N . 25037 1 388 . 1 1 37 37 ILE H H 1 7.750 0.020 . 1 . . . A 35 ILE H . 25037 1 389 . 1 1 37 37 ILE HA H 1 3.199 0.020 . 1 . . . A 35 ILE HA . 25037 1 390 . 1 1 37 37 ILE HB H 1 1.648 0.020 . 1 . . . A 35 ILE HB . 25037 1 391 . 1 1 37 37 ILE HG12 H 1 1.426 0.020 . 2 . . . A 35 ILE HG12 . 25037 1 392 . 1 1 37 37 ILE HG13 H 1 0.805 0.020 . 2 . . . A 35 ILE HG13 . 25037 1 393 . 1 1 37 37 ILE HG21 H 1 0.696 0.020 . 1 . . . A 35 ILE HG21 . 25037 1 394 . 1 1 37 37 ILE HG22 H 1 0.696 0.020 . 1 . . . A 35 ILE HG22 . 25037 1 395 . 1 1 37 37 ILE HG23 H 1 0.696 0.020 . 1 . . . A 35 ILE HG23 . 25037 1 396 . 1 1 37 37 ILE HD11 H 1 0.500 0.020 . 1 . . . A 35 ILE HD11 . 25037 1 397 . 1 1 37 37 ILE HD12 H 1 0.500 0.020 . 1 . . . A 35 ILE HD12 . 25037 1 398 . 1 1 37 37 ILE HD13 H 1 0.500 0.020 . 1 . . . A 35 ILE HD13 . 25037 1 399 . 1 1 37 37 ILE CA C 13 65.514 0.400 . 1 . . . A 35 ILE CA . 25037 1 400 . 1 1 37 37 ILE CB C 13 37.869 0.400 . 1 . . . A 35 ILE CB . 25037 1 401 . 1 1 37 37 ILE CG1 C 13 29.053 0.400 . 1 . . . A 35 ILE CG1 . 25037 1 402 . 1 1 37 37 ILE CG2 C 13 18.117 0.400 . 1 . . . A 35 ILE CG2 . 25037 1 403 . 1 1 37 37 ILE CD1 C 13 13.722 0.400 . 1 . . . A 35 ILE CD1 . 25037 1 404 . 1 1 37 37 ILE N N 15 120.301 0.400 . 1 . . . A 35 ILE N . 25037 1 405 . 1 1 38 38 SER H H 1 8.322 0.020 . 1 . . . A 36 SER H . 25037 1 406 . 1 1 38 38 SER HA H 1 3.535 0.020 . 1 . . . A 36 SER HA . 25037 1 407 . 1 1 38 38 SER HB2 H 1 3.459 0.020 . 2 . . . A 36 SER HB2 . 25037 1 408 . 1 1 38 38 SER HB3 H 1 3.346 0.020 . 2 . . . A 36 SER HB3 . 25037 1 409 . 1 1 38 38 SER CA C 13 61.365 0.400 . 1 . . . A 36 SER CA . 25037 1 410 . 1 1 38 38 SER CB C 13 62.114 0.400 . 1 . . . A 36 SER CB . 25037 1 411 . 1 1 38 38 SER N N 15 113.120 0.400 . 1 . . . A 36 SER N . 25037 1 412 . 1 1 39 39 SER H H 1 8.096 0.020 . 1 . . . A 37 SER H . 25037 1 413 . 1 1 39 39 SER HA H 1 4.196 0.020 . 1 . . . A 37 SER HA . 25037 1 414 . 1 1 39 39 SER HB2 H 1 3.968 0.020 . 2 . . . A 37 SER HB2 . 25037 1 415 . 1 1 39 39 SER HB3 H 1 3.862 0.020 . 2 . . . A 37 SER HB3 . 25037 1 416 . 1 1 39 39 SER CA C 13 61.201 0.400 . 1 . . . A 37 SER CA . 25037 1 417 . 1 1 39 39 SER CB C 13 63.821 0.400 . 1 . . . A 37 SER CB . 25037 1 418 . 1 1 39 39 SER N N 15 116.941 0.400 . 1 . . . A 37 SER N . 25037 1 419 . 1 1 40 40 PHE H H 1 8.541 0.020 . 1 . . . A 38 PHE H . 25037 1 420 . 1 1 40 40 PHE HA H 1 4.354 0.020 . 1 . . . A 38 PHE HA . 25037 1 421 . 1 1 40 40 PHE HB2 H 1 3.058 0.020 . 2 . . . A 38 PHE HB2 . 25037 1 422 . 1 1 40 40 PHE HB3 H 1 2.815 0.020 . 2 . . . A 38 PHE HB3 . 25037 1 423 . 1 1 40 40 PHE HD1 H 1 7.097 0.020 . 1 . . . A 38 PHE HD1 . 25037 1 424 . 1 1 40 40 PHE HD2 H 1 7.097 0.020 . 1 . . . A 38 PHE HD2 . 25037 1 425 . 1 1 40 40 PHE HE1 H 1 7.186 0.020 . 1 . . . A 38 PHE HE1 . 25037 1 426 . 1 1 40 40 PHE HE2 H 1 7.186 0.020 . 1 . . . A 38 PHE HE2 . 25037 1 427 . 1 1 40 40 PHE HZ H 1 7.154 0.020 . 1 . . . A 38 PHE HZ . 25037 1 428 . 1 1 40 40 PHE CA C 13 61.899 0.400 . 1 . . . A 38 PHE CA . 25037 1 429 . 1 1 40 40 PHE CB C 13 39.310 0.400 . 1 . . . A 38 PHE CB . 25037 1 430 . 1 1 40 40 PHE N N 15 123.225 0.400 . 1 . . . A 38 PHE N . 25037 1 431 . 1 1 41 41 ILE H H 1 8.619 0.020 . 1 . . . A 39 ILE H . 25037 1 432 . 1 1 41 41 ILE HA H 1 3.430 0.020 . 1 . . . A 39 ILE HA . 25037 1 433 . 1 1 41 41 ILE HB H 1 1.968 0.020 . 1 . . . A 39 ILE HB . 25037 1 434 . 1 1 41 41 ILE HG12 H 1 1.913 0.020 . 2 . . . A 39 ILE HG12 . 25037 1 435 . 1 1 41 41 ILE HG13 H 1 1.279 0.020 . 2 . . . A 39 ILE HG13 . 25037 1 436 . 1 1 41 41 ILE HG21 H 1 1.003 0.020 . 1 . . . A 39 ILE HG21 . 25037 1 437 . 1 1 41 41 ILE HG22 H 1 1.003 0.020 . 1 . . . A 39 ILE HG22 . 25037 1 438 . 1 1 41 41 ILE HG23 H 1 1.003 0.020 . 1 . . . A 39 ILE HG23 . 25037 1 439 . 1 1 41 41 ILE HD11 H 1 0.893 0.020 . 1 . . . A 39 ILE HD11 . 25037 1 440 . 1 1 41 41 ILE HD12 H 1 0.893 0.020 . 1 . . . A 39 ILE HD12 . 25037 1 441 . 1 1 41 41 ILE HD13 H 1 0.893 0.020 . 1 . . . A 39 ILE HD13 . 25037 1 442 . 1 1 41 41 ILE CA C 13 65.804 0.400 . 1 . . . A 39 ILE CA . 25037 1 443 . 1 1 41 41 ILE CB C 13 37.858 0.400 . 1 . . . A 39 ILE CB . 25037 1 444 . 1 1 41 41 ILE CG1 C 13 29.706 0.400 . 1 . . . A 39 ILE CG1 . 25037 1 445 . 1 1 41 41 ILE CG2 C 13 17.432 0.400 . 1 . . . A 39 ILE CG2 . 25037 1 446 . 1 1 41 41 ILE CD1 C 13 15.049 0.400 . 1 . . . A 39 ILE CD1 . 25037 1 447 . 1 1 41 41 ILE N N 15 121.189 0.400 . 1 . . . A 39 ILE N . 25037 1 448 . 1 1 42 42 ASN H H 1 7.547 0.020 . 1 . . . A 40 ASN H . 25037 1 449 . 1 1 42 42 ASN HA H 1 4.648 0.020 . 1 . . . A 40 ASN HA . 25037 1 450 . 1 1 42 42 ASN HB2 H 1 2.907 0.020 . 2 . . . A 40 ASN HB2 . 25037 1 451 . 1 1 42 42 ASN HB3 H 1 2.641 0.020 . 2 . . . A 40 ASN HB3 . 25037 1 452 . 1 1 42 42 ASN HD21 H 1 7.415 0.020 . 2 . . . A 40 ASN HD21 . 25037 1 453 . 1 1 42 42 ASN HD22 H 1 7.036 0.020 . 2 . . . A 40 ASN HD22 . 25037 1 454 . 1 1 42 42 ASN CB C 13 39.243 0.400 . 1 . . . A 40 ASN CB . 25037 1 455 . 1 1 42 42 ASN N N 15 115.447 0.400 . 1 . . . A 40 ASN N . 25037 1 456 . 1 1 42 42 ASN ND2 N 15 113.471 0.400 . 1 . . . A 40 ASN ND2 . 25037 1 457 . 1 1 43 43 ASP H H 1 7.933 0.020 . 1 . . . A 41 ASP H . 25037 1 458 . 1 1 43 43 ASP HA H 1 4.393 0.020 . 1 . . . A 41 ASP HA . 25037 1 459 . 1 1 43 43 ASP HB2 H 1 3.178 0.020 . 2 . . . A 41 ASP HB2 . 25037 1 460 . 1 1 43 43 ASP HB3 H 1 2.049 0.020 . 2 . . . A 41 ASP HB3 . 25037 1 461 . 1 1 43 43 ASP CA C 13 54.531 0.400 . 1 . . . A 41 ASP CA . 25037 1 462 . 1 1 43 43 ASP CB C 13 39.581 0.400 . 1 . . . A 41 ASP CB . 25037 1 463 . 1 1 43 43 ASP N N 15 119.335 0.400 . 1 . . . A 41 ASP N . 25037 1 464 . 1 1 44 44 LYS H H 1 8.418 0.020 . 1 . . . A 42 LYS H . 25037 1 465 . 1 1 44 44 LYS HA H 1 4.520 0.020 . 1 . . . A 42 LYS HA . 25037 1 466 . 1 1 44 44 LYS HB2 H 1 1.999 0.020 . 2 . . . A 42 LYS HB2 . 25037 1 467 . 1 1 44 44 LYS HB3 H 1 1.504 0.020 . 2 . . . A 42 LYS HB3 . 25037 1 468 . 1 1 44 44 LYS HG2 H 1 1.373 0.020 . 2 . . . A 42 LYS HG2 . 25037 1 469 . 1 1 44 44 LYS HG3 H 1 1.277 0.020 . 2 . . . A 42 LYS HG3 . 25037 1 470 . 1 1 44 44 LYS HD2 H 1 1.700 0.020 . 2 . . . A 42 LYS HD2 . 25037 1 471 . 1 1 44 44 LYS HD3 H 1 1.597 0.020 . 2 . . . A 42 LYS HD3 . 25037 1 472 . 1 1 44 44 LYS HE2 H 1 2.980 0.020 . 1 . . . A 42 LYS HE2 . 25037 1 473 . 1 1 44 44 LYS HE3 H 1 2.980 0.020 . 1 . . . A 42 LYS HE3 . 25037 1 474 . 1 1 44 44 LYS CB C 13 33.693 0.400 . 1 . . . A 42 LYS CB . 25037 1 475 . 1 1 44 44 LYS CG C 13 24.502 0.400 . 1 . . . A 42 LYS CG . 25037 1 476 . 1 1 44 44 LYS CD C 13 28.935 0.400 . 1 . . . A 42 LYS CD . 25037 1 477 . 1 1 44 44 LYS CE C 13 42.067 0.400 . 1 . . . A 42 LYS CE . 25037 1 478 . 1 1 44 44 LYS N N 15 117.025 0.400 . 1 . . . A 42 LYS N . 25037 1 479 . 1 1 45 45 TYR H H 1 8.437 0.020 . 1 . . . A 43 TYR H . 25037 1 480 . 1 1 45 45 TYR HA H 1 4.663 0.020 . 1 . . . A 43 TYR HA . 25037 1 481 . 1 1 45 45 TYR HB2 H 1 3.290 0.020 . 2 . . . A 43 TYR HB2 . 25037 1 482 . 1 1 45 45 TYR HB3 H 1 2.810 0.020 . 2 . . . A 43 TYR HB3 . 25037 1 483 . 1 1 45 45 TYR HD1 H 1 7.234 0.020 . 1 . . . A 43 TYR HD1 . 25037 1 484 . 1 1 45 45 TYR HD2 H 1 7.234 0.020 . 1 . . . A 43 TYR HD2 . 25037 1 485 . 1 1 45 45 TYR HE1 H 1 6.732 0.020 . 1 . . . A 43 TYR HE1 . 25037 1 486 . 1 1 45 45 TYR HE2 H 1 6.732 0.020 . 1 . . . A 43 TYR HE2 . 25037 1 487 . 1 1 45 45 TYR CB C 13 38.132 0.400 . 1 . . . A 43 TYR CB . 25037 1 488 . 1 1 45 45 TYR N N 15 122.804 0.400 . 1 . . . A 43 TYR N . 25037 1 489 . 1 1 46 46 ASN HB2 H 1 2.760 0.020 . 2 . . . A 44 ASN HB2 . 25037 1 490 . 1 1 46 46 ASN HB3 H 1 2.645 0.020 . 2 . . . A 44 ASN HB3 . 25037 1 491 . 1 1 46 46 ASN HD21 H 1 7.515 0.020 . 2 . . . A 44 ASN HD21 . 25037 1 492 . 1 1 46 46 ASN HD22 H 1 6.814 0.020 . 2 . . . A 44 ASN HD22 . 25037 1 493 . 1 1 46 46 ASN CB C 13 38.647 0.400 . 1 . . . A 44 ASN CB . 25037 1 494 . 1 1 46 46 ASN ND2 N 15 112.238 0.400 . 1 . . . A 44 ASN ND2 . 25037 1 495 . 1 1 47 47 GLY HA2 H 1 4.061 0.020 . 2 . . . A 45 GLY HA2 . 25037 1 496 . 1 1 47 47 GLY HA3 H 1 3.314 0.020 . 2 . . . A 45 GLY HA3 . 25037 1 497 . 1 1 47 47 GLY CA C 13 45.034 0.400 . 1 . . . A 45 GLY CA . 25037 1 498 . 1 1 48 48 ASP HB2 H 1 3.085 0.020 . 2 . . . A 46 ASP HB2 . 25037 1 499 . 1 1 48 48 ASP HB3 H 1 2.633 0.020 . 2 . . . A 46 ASP HB3 . 25037 1 500 . 1 1 48 48 ASP CB C 13 40.065 0.400 . 1 . . . A 46 ASP CB . 25037 1 501 . 1 1 49 49 ASN H H 1 8.291 0.020 . 1 . . . A 47 ASN H . 25037 1 502 . 1 1 49 49 ASN HA H 1 4.520 0.020 . 1 . . . A 47 ASN HA . 25037 1 503 . 1 1 49 49 ASN HB2 H 1 3.054 0.020 . 2 . . . A 47 ASN HB2 . 25037 1 504 . 1 1 49 49 ASN HB3 H 1 2.769 0.020 . 2 . . . A 47 ASN HB3 . 25037 1 505 . 1 1 49 49 ASN HD21 H 1 7.624 0.020 . 2 . . . A 47 ASN HD21 . 25037 1 506 . 1 1 49 49 ASN HD22 H 1 7.080 0.020 . 2 . . . A 47 ASN HD22 . 25037 1 507 . 1 1 49 49 ASN CA C 13 54.705 0.400 . 1 . . . A 47 ASN CA . 25037 1 508 . 1 1 49 49 ASN CB C 13 40.262 0.400 . 1 . . . A 47 ASN CB . 25037 1 509 . 1 1 49 49 ASN ND2 N 15 112.966 0.400 . 1 . . . A 47 ASN ND2 . 25037 1 510 . 1 1 50 50 GLU H H 1 8.695 0.020 . 1 . . . A 48 GLU H . 25037 1 511 . 1 1 50 50 GLU HA H 1 4.127 0.020 . 1 . . . A 48 GLU HA . 25037 1 512 . 1 1 50 50 GLU HB2 H 1 2.218 0.020 . 1 . . . A 48 GLU HB2 . 25037 1 513 . 1 1 50 50 GLU HB3 H 1 2.218 0.020 . 1 . . . A 48 GLU HB3 . 25037 1 514 . 1 1 50 50 GLU HG2 H 1 2.346 0.020 . 1 . . . A 48 GLU HG2 . 25037 1 515 . 1 1 50 50 GLU HG3 H 1 2.346 0.020 . 1 . . . A 48 GLU HG3 . 25037 1 516 . 1 1 50 50 GLU CA C 13 60.052 0.400 . 1 . . . A 48 GLU CA . 25037 1 517 . 1 1 50 50 GLU CB C 13 29.155 0.400 . 1 . . . A 48 GLU CB . 25037 1 518 . 1 1 50 50 GLU CG C 13 36.559 0.400 . 1 . . . A 48 GLU CG . 25037 1 519 . 1 1 50 50 GLU N N 15 121.849 0.400 . 1 . . . A 48 GLU N . 25037 1 520 . 1 1 51 51 ARG H H 1 7.958 0.020 . 1 . . . A 49 ARG H . 25037 1 521 . 1 1 51 51 ARG HA H 1 4.105 0.020 . 1 . . . A 49 ARG HA . 25037 1 522 . 1 1 51 51 ARG HB2 H 1 1.905 0.020 . 2 . . . A 49 ARG HB2 . 25037 1 523 . 1 1 51 51 ARG HB3 H 1 1.856 0.020 . 2 . . . A 49 ARG HB3 . 25037 1 524 . 1 1 51 51 ARG HG2 H 1 1.717 0.020 . 2 . . . A 49 ARG HG2 . 25037 1 525 . 1 1 51 51 ARG HG3 H 1 1.596 0.020 . 2 . . . A 49 ARG HG3 . 25037 1 526 . 1 1 51 51 ARG HD2 H 1 3.262 0.020 . 1 . . . A 49 ARG HD2 . 25037 1 527 . 1 1 51 51 ARG HD3 H 1 3.262 0.020 . 1 . . . A 49 ARG HD3 . 25037 1 528 . 1 1 51 51 ARG CA C 13 59.130 0.400 . 1 . . . A 49 ARG CA . 25037 1 529 . 1 1 51 51 ARG CB C 13 30.078 0.400 . 1 . . . A 49 ARG CB . 25037 1 530 . 1 1 51 51 ARG CG C 13 27.310 0.400 . 1 . . . A 49 ARG CG . 25037 1 531 . 1 1 51 51 ARG CD C 13 43.136 0.400 . 1 . . . A 49 ARG CD . 25037 1 532 . 1 1 51 51 ARG N N 15 120.467 0.400 . 1 . . . A 49 ARG N . 25037 1 533 . 1 1 52 52 VAL H H 1 7.767 0.020 . 1 . . . A 50 VAL H . 25037 1 534 . 1 1 52 52 VAL HA H 1 3.362 0.020 . 1 . . . A 50 VAL HA . 25037 1 535 . 1 1 52 52 VAL HB H 1 1.701 0.020 . 1 . . . A 50 VAL HB . 25037 1 536 . 1 1 52 52 VAL HG11 H 1 0.029 0.020 . 2 . . . A 50 VAL HG11 . 25037 1 537 . 1 1 52 52 VAL HG12 H 1 0.029 0.020 . 2 . . . A 50 VAL HG12 . 25037 1 538 . 1 1 52 52 VAL HG13 H 1 0.029 0.020 . 2 . . . A 50 VAL HG13 . 25037 1 539 . 1 1 52 52 VAL HG21 H 1 0.784 0.020 . 2 . . . A 50 VAL HG21 . 25037 1 540 . 1 1 52 52 VAL HG22 H 1 0.784 0.020 . 2 . . . A 50 VAL HG22 . 25037 1 541 . 1 1 52 52 VAL HG23 H 1 0.784 0.020 . 2 . . . A 50 VAL HG23 . 25037 1 542 . 1 1 52 52 VAL CA C 13 67.008 0.400 . 1 . . . A 50 VAL CA . 25037 1 543 . 1 1 52 52 VAL CB C 13 31.759 0.400 . 1 . . . A 50 VAL CB . 25037 1 544 . 1 1 52 52 VAL CG1 C 13 21.046 0.400 . 1 . . . A 50 VAL CG1 . 25037 1 545 . 1 1 52 52 VAL CG2 C 13 23.682 0.400 . 1 . . . A 50 VAL CG2 . 25037 1 546 . 1 1 52 52 VAL N N 15 119.496 0.400 . 1 . . . A 50 VAL N . 25037 1 547 . 1 1 53 53 SER H H 1 8.296 0.020 . 1 . . . A 51 SER H . 25037 1 548 . 1 1 53 53 SER HA H 1 3.665 0.020 . 1 . . . A 51 SER HA . 25037 1 549 . 1 1 53 53 SER HB2 H 1 4.201 0.020 . 2 . . . A 51 SER HB2 . 25037 1 550 . 1 1 53 53 SER HB3 H 1 4.061 0.020 . 2 . . . A 51 SER HB3 . 25037 1 551 . 1 1 53 53 SER CA C 13 62.288 0.400 . 1 . . . A 51 SER CA . 25037 1 552 . 1 1 53 53 SER CB C 13 62.823 0.400 . 1 . . . A 51 SER CB . 25037 1 553 . 1 1 53 53 SER N N 15 114.856 0.400 . 1 . . . A 51 SER N . 25037 1 554 . 1 1 54 54 GLN H H 1 8.012 0.020 . 1 . . . A 52 GLN H . 25037 1 555 . 1 1 54 54 GLN HA H 1 4.167 0.020 . 1 . . . A 52 GLN HA . 25037 1 556 . 1 1 54 54 GLN HB2 H 1 2.158 0.020 . 2 . . . A 52 GLN HB2 . 25037 1 557 . 1 1 54 54 GLN HB3 H 1 2.258 0.020 . 2 . . . A 52 GLN HB3 . 25037 1 558 . 1 1 54 54 GLN HG2 H 1 2.489 0.020 . 2 . . . A 52 GLN HG2 . 25037 1 559 . 1 1 54 54 GLN HG3 H 1 2.652 0.020 . 2 . . . A 52 GLN HG3 . 25037 1 560 . 1 1 54 54 GLN HE21 H 1 7.643 0.020 . 2 . . . A 52 GLN HE21 . 25037 1 561 . 1 1 54 54 GLN HE22 H 1 6.862 0.020 . 2 . . . A 52 GLN HE22 . 25037 1 562 . 1 1 54 54 GLN CA C 13 59.179 0.400 . 1 . . . A 52 GLN CA . 25037 1 563 . 1 1 54 54 GLN CB C 13 28.441 0.400 . 1 . . . A 52 GLN CB . 25037 1 564 . 1 1 54 54 GLN CG C 13 34.259 0.400 . 1 . . . A 52 GLN CG . 25037 1 565 . 1 1 54 54 GLN N N 15 120.482 0.400 . 1 . . . A 52 GLN N . 25037 1 566 . 1 1 54 54 GLN NE2 N 15 111.839 0.400 . 1 . . . A 52 GLN NE2 . 25037 1 567 . 1 1 55 55 THR H H 1 7.960 0.020 . 1 . . . A 53 THR H . 25037 1 568 . 1 1 55 55 THR HA H 1 3.981 0.020 . 1 . . . A 53 THR HA . 25037 1 569 . 1 1 55 55 THR HB H 1 4.279 0.020 . 1 . . . A 53 THR HB . 25037 1 570 . 1 1 55 55 THR HG21 H 1 1.275 0.020 . 1 . . . A 53 THR HG21 . 25037 1 571 . 1 1 55 55 THR HG22 H 1 1.275 0.020 . 1 . . . A 53 THR HG22 . 25037 1 572 . 1 1 55 55 THR HG23 H 1 1.275 0.020 . 1 . . . A 53 THR HG23 . 25037 1 573 . 1 1 55 55 THR CA C 13 67.070 0.400 . 1 . . . A 53 THR CA . 25037 1 574 . 1 1 55 55 THR CB C 13 68.860 0.400 . 1 . . . A 53 THR CB . 25037 1 575 . 1 1 55 55 THR CG2 C 13 22.312 0.400 . 1 . . . A 53 THR CG2 . 25037 1 576 . 1 1 55 55 THR N N 15 117.745 0.400 . 1 . . . A 53 THR N . 25037 1 577 . 1 1 56 56 LEU H H 1 8.376 0.020 . 1 . . . A 54 LEU H . 25037 1 578 . 1 1 56 56 LEU HA H 1 4.334 0.020 . 1 . . . A 54 LEU HA . 25037 1 579 . 1 1 56 56 LEU HB2 H 1 1.305 0.020 . 2 . . . A 54 LEU HB2 . 25037 1 580 . 1 1 56 56 LEU HB3 H 1 1.644 0.020 . 2 . . . A 54 LEU HB3 . 25037 1 581 . 1 1 56 56 LEU HG H 1 1.416 0.020 . 1 . . . A 54 LEU HG . 25037 1 582 . 1 1 56 56 LEU HD11 H 1 0.161 0.020 . 2 . . . A 54 LEU HD11 . 25037 1 583 . 1 1 56 56 LEU HD12 H 1 0.161 0.020 . 2 . . . A 54 LEU HD12 . 25037 1 584 . 1 1 56 56 LEU HD13 H 1 0.161 0.020 . 2 . . . A 54 LEU HD13 . 25037 1 585 . 1 1 56 56 LEU HD21 H 1 0.504 0.020 . 2 . . . A 54 LEU HD21 . 25037 1 586 . 1 1 56 56 LEU HD22 H 1 0.504 0.020 . 2 . . . A 54 LEU HD22 . 25037 1 587 . 1 1 56 56 LEU HD23 H 1 0.504 0.020 . 2 . . . A 54 LEU HD23 . 25037 1 588 . 1 1 56 56 LEU CA C 13 57.483 0.400 . 1 . . . A 54 LEU CA . 25037 1 589 . 1 1 56 56 LEU CB C 13 41.080 0.400 . 1 . . . A 54 LEU CB . 25037 1 590 . 1 1 56 56 LEU CG C 13 26.711 0.400 . 1 . . . A 54 LEU CG . 25037 1 591 . 1 1 56 56 LEU CD1 C 13 26.329 0.400 . 1 . . . A 54 LEU CD1 . 25037 1 592 . 1 1 56 56 LEU CD2 C 13 22.059 0.400 . 1 . . . A 54 LEU CD2 . 25037 1 593 . 1 1 56 56 LEU N N 15 122.166 0.400 . 1 . . . A 54 LEU N . 25037 1 594 . 1 1 57 57 GLN H H 1 9.086 0.020 . 1 . . . A 55 GLN H . 25037 1 595 . 1 1 57 57 GLN HA H 1 4.060 0.020 . 1 . . . A 55 GLN HA . 25037 1 596 . 1 1 57 57 GLN HB2 H 1 2.348 0.020 . 2 . . . A 55 GLN HB2 . 25037 1 597 . 1 1 57 57 GLN HB3 H 1 2.242 0.020 . 2 . . . A 55 GLN HB3 . 25037 1 598 . 1 1 57 57 GLN HG2 H 1 2.492 0.020 . 2 . . . A 55 GLN HG2 . 25037 1 599 . 1 1 57 57 GLN HG3 H 1 2.351 0.020 . 2 . . . A 55 GLN HG3 . 25037 1 600 . 1 1 57 57 GLN HE21 H 1 7.716 0.020 . 2 . . . A 55 GLN HE21 . 25037 1 601 . 1 1 57 57 GLN HE22 H 1 6.834 0.020 . 2 . . . A 55 GLN HE22 . 25037 1 602 . 1 1 57 57 GLN CA C 13 59.427 0.400 . 1 . . . A 55 GLN CA . 25037 1 603 . 1 1 57 57 GLN CB C 13 27.548 0.400 . 1 . . . A 55 GLN CB . 25037 1 604 . 1 1 57 57 GLN CG C 13 33.754 0.400 . 1 . . . A 55 GLN CG . 25037 1 605 . 1 1 57 57 GLN N N 15 122.381 0.400 . 1 . . . A 55 GLN N . 25037 1 606 . 1 1 57 57 GLN NE2 N 15 111.575 0.400 . 1 . . . A 55 GLN NE2 . 25037 1 607 . 1 1 58 58 ARG H H 1 7.690 0.020 . 1 . . . A 56 ARG H . 25037 1 608 . 1 1 58 58 ARG HA H 1 4.179 0.020 . 1 . . . A 56 ARG HA . 25037 1 609 . 1 1 58 58 ARG HB2 H 1 2.102 0.020 . 2 . . . A 56 ARG HB2 . 25037 1 610 . 1 1 58 58 ARG HB3 H 1 2.010 0.020 . 2 . . . A 56 ARG HB3 . 25037 1 611 . 1 1 58 58 ARG HG2 H 1 1.906 0.020 . 2 . . . A 56 ARG HG2 . 25037 1 612 . 1 1 58 58 ARG HG3 H 1 1.781 0.020 . 2 . . . A 56 ARG HG3 . 25037 1 613 . 1 1 58 58 ARG HD2 H 1 3.313 0.020 . 1 . . . A 56 ARG HD2 . 25037 1 614 . 1 1 58 58 ARG HD3 H 1 3.313 0.020 . 1 . . . A 56 ARG HD3 . 25037 1 615 . 1 1 58 58 ARG HE H 1 5.985 0.020 . 1 . . . A 56 ARG HE . 25037 1 616 . 1 1 58 58 ARG CA C 13 57.448 0.400 . 1 . . . A 56 ARG CA . 25037 1 617 . 1 1 58 58 ARG CB C 13 30.192 0.400 . 1 . . . A 56 ARG CB . 25037 1 618 . 1 1 58 58 ARG CG C 13 27.774 0.400 . 1 . . . A 56 ARG CG . 25037 1 619 . 1 1 58 58 ARG CD C 13 43.536 0.400 . 1 . . . A 56 ARG CD . 25037 1 620 . 1 1 58 58 ARG N N 15 117.595 0.400 . 1 . . . A 56 ARG N . 25037 1 621 . 1 1 58 58 ARG NE N 15 75.463 0.400 . 1 . . . A 56 ARG NE . 25037 1 622 . 1 1 59 59 TRP H H 1 7.754 0.020 . 1 . . . A 57 TRP H . 25037 1 623 . 1 1 59 59 TRP HA H 1 4.096 0.020 . 1 . . . A 57 TRP HA . 25037 1 624 . 1 1 59 59 TRP HB2 H 1 3.713 0.020 . 2 . . . A 57 TRP HB2 . 25037 1 625 . 1 1 59 59 TRP HB3 H 1 3.238 0.020 . 2 . . . A 57 TRP HB3 . 25037 1 626 . 1 1 59 59 TRP HD1 H 1 7.108 0.020 . 1 . . . A 57 TRP HD1 . 25037 1 627 . 1 1 59 59 TRP HE1 H 1 11.244 0.020 . 1 . . . A 57 TRP HE1 . 25037 1 628 . 1 1 59 59 TRP HE3 H 1 7.329 0.020 . 1 . . . A 57 TRP HE3 . 25037 1 629 . 1 1 59 59 TRP HZ2 H 1 7.372 0.020 . 1 . . . A 57 TRP HZ2 . 25037 1 630 . 1 1 59 59 TRP HZ3 H 1 6.570 0.020 . 1 . . . A 57 TRP HZ3 . 25037 1 631 . 1 1 59 59 TRP HH2 H 1 6.568 0.020 . 1 . . . A 57 TRP HH2 . 25037 1 632 . 1 1 59 59 TRP CA C 13 58.856 0.400 . 1 . . . A 57 TRP CA . 25037 1 633 . 1 1 59 59 TRP CB C 13 28.557 0.400 . 1 . . . A 57 TRP CB . 25037 1 634 . 1 1 59 59 TRP N N 15 120.743 0.400 . 1 . . . A 57 TRP N . 25037 1 635 . 1 1 59 59 TRP NE1 N 15 132.408 0.400 . 1 . . . A 57 TRP NE1 . 25037 1 636 . 1 1 60 60 LEU H H 1 8.699 0.020 . 1 . . . A 58 LEU H . 25037 1 637 . 1 1 60 60 LEU HA H 1 3.680 0.020 . 1 . . . A 58 LEU HA . 25037 1 638 . 1 1 60 60 LEU HB2 H 1 1.844 0.020 . 2 . . . A 58 LEU HB2 . 25037 1 639 . 1 1 60 60 LEU HB3 H 1 2.058 0.020 . 2 . . . A 58 LEU HB3 . 25037 1 640 . 1 1 60 60 LEU HG H 1 1.985 0.020 . 1 . . . A 58 LEU HG . 25037 1 641 . 1 1 60 60 LEU HD11 H 1 1.053 0.020 . 2 . . . A 58 LEU HD11 . 25037 1 642 . 1 1 60 60 LEU HD12 H 1 1.053 0.020 . 2 . . . A 58 LEU HD12 . 25037 1 643 . 1 1 60 60 LEU HD13 H 1 1.053 0.020 . 2 . . . A 58 LEU HD13 . 25037 1 644 . 1 1 60 60 LEU HD21 H 1 1.086 0.020 . 2 . . . A 58 LEU HD21 . 25037 1 645 . 1 1 60 60 LEU HD22 H 1 1.086 0.020 . 2 . . . A 58 LEU HD22 . 25037 1 646 . 1 1 60 60 LEU HD23 H 1 1.086 0.020 . 2 . . . A 58 LEU HD23 . 25037 1 647 . 1 1 60 60 LEU CA C 13 58.178 0.400 . 1 . . . A 58 LEU CA . 25037 1 648 . 1 1 60 60 LEU CB C 13 42.947 0.400 . 1 . . . A 58 LEU CB . 25037 1 649 . 1 1 60 60 LEU CG C 13 27.452 0.400 . 1 . . . A 58 LEU CG . 25037 1 650 . 1 1 60 60 LEU CD1 C 13 25.213 0.400 . 1 . . . A 58 LEU CD1 . 25037 1 651 . 1 1 60 60 LEU CD2 C 13 25.745 0.400 . 1 . . . A 58 LEU CD2 . 25037 1 652 . 1 1 60 60 LEU N N 15 121.472 0.400 . 1 . . . A 58 LEU N . 25037 1 653 . 1 1 61 61 GLU H H 1 8.301 0.020 . 1 . . . A 59 GLU H . 25037 1 654 . 1 1 61 61 GLU HA H 1 3.957 0.020 . 1 . . . A 59 GLU HA . 25037 1 655 . 1 1 61 61 GLU HB2 H 1 2.184 0.020 . 2 . . . A 59 GLU HB2 . 25037 1 656 . 1 1 61 61 GLU HB3 H 1 1.987 0.020 . 2 . . . A 59 GLU HB3 . 25037 1 657 . 1 1 61 61 GLU HG2 H 1 2.592 0.020 . 2 . . . A 59 GLU HG2 . 25037 1 658 . 1 1 61 61 GLU HG3 H 1 2.283 0.020 . 2 . . . A 59 GLU HG3 . 25037 1 659 . 1 1 61 61 GLU CA C 13 58.835 0.400 . 1 . . . A 59 GLU CA . 25037 1 660 . 1 1 61 61 GLU CB C 13 29.824 0.400 . 1 . . . A 59 GLU CB . 25037 1 661 . 1 1 61 61 GLU CG C 13 37.109 0.400 . 1 . . . A 59 GLU CG . 25037 1 662 . 1 1 61 61 GLU N N 15 117.216 0.400 . 1 . . . A 59 GLU N . 25037 1 663 . 1 1 62 62 LYS H H 1 7.499 0.020 . 1 . . . A 60 LYS H . 25037 1 664 . 1 1 62 62 LYS HA H 1 4.023 0.020 . 1 . . . A 60 LYS HA . 25037 1 665 . 1 1 62 62 LYS HB2 H 1 1.678 0.020 . 1 . . . A 60 LYS HB2 . 25037 1 666 . 1 1 62 62 LYS HB3 H 1 1.678 0.020 . 1 . . . A 60 LYS HB3 . 25037 1 667 . 1 1 62 62 LYS HG2 H 1 1.286 0.020 . 2 . . . A 60 LYS HG2 . 25037 1 668 . 1 1 62 62 LYS HG3 H 1 1.052 0.020 . 2 . . . A 60 LYS HG3 . 25037 1 669 . 1 1 62 62 LYS HD2 H 1 1.565 0.020 . 1 . . . A 60 LYS HD2 . 25037 1 670 . 1 1 62 62 LYS HD3 H 1 1.565 0.020 . 1 . . . A 60 LYS HD3 . 25037 1 671 . 1 1 62 62 LYS HE2 H 1 2.876 0.020 . 1 . . . A 60 LYS HE2 . 25037 1 672 . 1 1 62 62 LYS HE3 H 1 2.876 0.020 . 1 . . . A 60 LYS HE3 . 25037 1 673 . 1 1 62 62 LYS CA C 13 57.884 0.400 . 1 . . . A 60 LYS CA . 25037 1 674 . 1 1 62 62 LYS CB C 13 32.425 0.400 . 1 . . . A 60 LYS CB . 25037 1 675 . 1 1 62 62 LYS CG C 13 24.674 0.400 . 1 . . . A 60 LYS CG . 25037 1 676 . 1 1 62 62 LYS CD C 13 29.146 0.400 . 1 . . . A 60 LYS CD . 25037 1 677 . 1 1 62 62 LYS CE C 13 42.100 0.400 . 1 . . . A 60 LYS CE . 25037 1 678 . 1 1 62 62 LYS N N 15 118.414 0.400 . 1 . . . A 60 LYS N . 25037 1 679 . 1 1 63 63 TYR H H 1 7.852 0.020 . 1 . . . A 61 TYR H . 25037 1 680 . 1 1 63 63 TYR HA H 1 3.749 0.020 . 1 . . . A 61 TYR HA . 25037 1 681 . 1 1 63 63 TYR HB2 H 1 2.415 0.020 . 2 . . . A 61 TYR HB2 . 25037 1 682 . 1 1 63 63 TYR HB3 H 1 1.689 0.020 . 2 . . . A 61 TYR HB3 . 25037 1 683 . 1 1 63 63 TYR HD1 H 1 6.401 0.020 . 1 . . . A 61 TYR HD1 . 25037 1 684 . 1 1 63 63 TYR HD2 H 1 6.401 0.020 . 1 . . . A 61 TYR HD2 . 25037 1 685 . 1 1 63 63 TYR HE1 H 1 6.679 0.020 . 1 . . . A 61 TYR HE1 . 25037 1 686 . 1 1 63 63 TYR HE2 H 1 6.679 0.020 . 1 . . . A 61 TYR HE2 . 25037 1 687 . 1 1 63 63 TYR CA C 13 59.050 0.400 . 1 . . . A 61 TYR CA . 25037 1 688 . 1 1 63 63 TYR CB C 13 38.630 0.400 . 1 . . . A 61 TYR CB . 25037 1 689 . 1 1 63 63 TYR N N 15 120.082 0.400 . 1 . . . A 61 TYR N . 25037 1 690 . 1 1 64 64 HIS H H 1 7.600 0.020 . 1 . . . A 62 HIS H . 25037 1 691 . 1 1 64 64 HIS HA H 1 4.502 0.020 . 1 . . . A 62 HIS HA . 25037 1 692 . 1 1 64 64 HIS HB2 H 1 3.311 0.020 . 2 . . . A 62 HIS HB2 . 25037 1 693 . 1 1 64 64 HIS HB3 H 1 2.842 0.020 . 2 . . . A 62 HIS HB3 . 25037 1 694 . 1 1 64 64 HIS HD2 H 1 6.817 0.020 . 1 . . . A 62 HIS HD2 . 25037 1 695 . 1 1 64 64 HIS CA C 13 55.698 0.400 . 1 . . . A 62 HIS CA . 25037 1 696 . 1 1 64 64 HIS CB C 13 30.235 0.400 . 1 . . . A 62 HIS CB . 25037 1 697 . 1 1 64 64 HIS N N 15 117.180 0.400 . 1 . . . A 62 HIS N . 25037 1 698 . 1 1 65 65 ALA H H 1 7.401 0.020 . 1 . . . A 63 ALA H . 25037 1 699 . 1 1 65 65 ALA HA H 1 4.030 0.020 . 1 . . . A 63 ALA HA . 25037 1 700 . 1 1 65 65 ALA HB1 H 1 1.371 0.020 . 1 . . . A 63 ALA HB1 . 25037 1 701 . 1 1 65 65 ALA HB2 H 1 1.371 0.020 . 1 . . . A 63 ALA HB2 . 25037 1 702 . 1 1 65 65 ALA HB3 H 1 1.371 0.020 . 1 . . . A 63 ALA HB3 . 25037 1 703 . 1 1 65 65 ALA CA C 13 54.394 0.400 . 1 . . . A 63 ALA CA . 25037 1 704 . 1 1 65 65 ALA CB C 13 19.765 0.400 . 1 . . . A 63 ALA CB . 25037 1 705 . 1 1 65 65 ALA N N 15 129.366 0.400 . 1 . . . A 63 ALA N . 25037 1 stop_ save_