data_25219 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25219 _Entry.Title ; Solution Structure of the UBM1 domain of human HUWE1/ARF-BP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-12 _Entry.Accession_date 2014-09-12 _Entry.Last_release_date 2015-09-14 _Entry.Original_release_date 2015-09-14 _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 Sahar Farhadi . . . 25219 2 Rahima Khatun . . . 25219 3 Alexander Lemak . . . 25219 4 Lilia Kaustov . . . 25219 5 Raghav Ramabadran . . . 25219 6 Howard Hunter . . . 25219 7 Yi Sheng . . . 25219 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' . 25219 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN/Ubiquitin Binding Motif' . 25219 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25219 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 195 25219 '15N chemical shifts' 45 25219 '1H chemical shifts' 325 25219 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 . . 2015-09-14 . original BMRB . 25219 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MUL 'BMRB Entry Tracking System' 25219 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25219 _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 Ubiquitin Binding Motif of human Arf-bp1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Rahima Khatun . . . 25219 1 2 Yi Sheng . . . 25219 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25219 _Assembly.ID 1 _Assembly.Name 'UBM1 domain of human HUWE1/ARF-BP1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25219 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25219 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TSSEEEDPLAGISLPEGVDP SFLAALPDDIRREVLQNQLG IRPPTRTAPSTNS ; _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 53 _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 5663.236 _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 2MUL . "Solution Structure Of The Ubm1 Domain Of Human Huwe1/arf-bp1" . . . . . 100.00 53 100.00 100.00 2.46e-27 . . . . 25219 1 2 no DBJ BAA20771 . "KIAA0312 [Homo sapiens]" . . . . . 100.00 3192 100.00 100.00 7.13e-25 . . . . 25219 1 3 no DBJ BAC06833 . "HECT domain protein LASU1 [Homo sapiens]" . . . . . 100.00 3360 100.00 100.00 7.48e-25 . . . . 25219 1 4 no EMBL CAI39580 . "HECT, UBA and WWE domain containing 1 [Homo sapiens]" . . . . . 100.00 4374 100.00 100.00 7.19e-25 . . . . 25219 1 5 no EMBL CAI39581 . "HECT, UBA and WWE domain containing 1, partial [Homo sapiens]" . . . . . 100.00 3407 100.00 100.00 7.42e-25 . . . . 25219 1 6 no EMBL CAI42354 . "HECT, UBA and WWE domain containing 1 [Homo sapiens]" . . . . . 100.00 4374 100.00 100.00 7.19e-25 . . . . 25219 1 7 no EMBL CAI42654 . "HECT, UBA and WWE domain containing 1 [Homo sapiens]" . . . . . 100.00 4374 100.00 100.00 7.19e-25 . . . . 25219 1 8 no EMBL CAI42656 . "HECT, UBA and WWE domain containing 1, partial [Homo sapiens]" . . . . . 100.00 3407 100.00 100.00 7.42e-25 . . . . 25219 1 9 no GB AAF28950 . "HSPC272 [Homo sapiens]" . . . . . 100.00 2011 100.00 100.00 9.56e-25 . . . . 25219 1 10 no GB AAV90838 . "ARF-binding protein 1 [Homo sapiens]" . . . . . 100.00 4374 100.00 100.00 7.19e-25 . . . . 25219 1 11 no GB AAX24125 . "LASU1 [Homo sapiens]" . . . . . 100.00 4374 100.00 100.00 7.19e-25 . . . . 25219 1 12 no GB AAY98258 . "Mcl-1 ubiquitin ligase [Homo sapiens]" . . . . . 100.00 4374 100.00 100.00 7.19e-25 . . . . 25219 1 13 no GB EAW93160 . "HECT, UBA and WWE domain containing 1, isoform CRA_a [Homo sapiens]" . . . . . 100.00 4359 100.00 100.00 7.19e-25 . . . . 25219 1 14 no REF NP_001103474 . "E3 ubiquitin-protein ligase HUWE1 [Bos taurus]" . . . . . 100.00 4375 98.11 100.00 1.94e-24 . . . . 25219 1 15 no REF NP_001253681 . "E3 ubiquitin-protein ligase HUWE1 [Macaca mulatta]" . . . . . 100.00 4374 100.00 100.00 7.19e-25 . . . . 25219 1 16 no REF NP_113584 . "E3 ubiquitin-protein ligase HUWE1 [Homo sapiens]" . . . . . 100.00 4374 100.00 100.00 7.19e-25 . . . . 25219 1 17 no REF XP_001914766 . "PREDICTED: LOW QUALITY PROTEIN: E3 ubiquitin-protein ligase HUWE1 [Equus caballus]" . . . . . 100.00 4376 100.00 100.00 7.13e-25 . . . . 25219 1 18 no REF XP_002831735 . "PREDICTED: LOW QUALITY PROTEIN: E3 ubiquitin-protein ligase HUWE1 [Pongo abelii]" . . . . . 100.00 4374 100.00 100.00 7.19e-25 . . . . 25219 1 19 no SP Q7Z6Z7 . "RecName: Full=E3 ubiquitin-protein ligase HUWE1; AltName: Full=ARF-binding protein 1; Short=ARF-BP1; AltName: Full=HECT, UBA an" . . . . . 100.00 4374 100.00 100.00 7.19e-25 . . . . 25219 1 20 no TPG DAA12802 . "TPA: HECT, UBA and WWE domain containing 1 [Bos taurus]" . . . . . 100.00 4375 98.11 100.00 1.94e-24 . . . . 25219 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 2950 THR . 25219 1 2 2951 SER . 25219 1 3 2952 SER . 25219 1 4 2953 GLU . 25219 1 5 2954 GLU . 25219 1 6 2955 GLU . 25219 1 7 2956 ASP . 25219 1 8 2957 PRO . 25219 1 9 2958 LEU . 25219 1 10 2959 ALA . 25219 1 11 2960 GLY . 25219 1 12 2961 ILE . 25219 1 13 2962 SER . 25219 1 14 2963 LEU . 25219 1 15 2964 PRO . 25219 1 16 2965 GLU . 25219 1 17 2966 GLY . 25219 1 18 2967 VAL . 25219 1 19 2968 ASP . 25219 1 20 2969 PRO . 25219 1 21 2970 SER . 25219 1 22 2971 PHE . 25219 1 23 2972 LEU . 25219 1 24 2973 ALA . 25219 1 25 2974 ALA . 25219 1 26 2975 LEU . 25219 1 27 2976 PRO . 25219 1 28 2977 ASP . 25219 1 29 2978 ASP . 25219 1 30 2979 ILE . 25219 1 31 2980 ARG . 25219 1 32 2981 ARG . 25219 1 33 2982 GLU . 25219 1 34 2983 VAL . 25219 1 35 2984 LEU . 25219 1 36 2985 GLN . 25219 1 37 2986 ASN . 25219 1 38 2987 GLN . 25219 1 39 2988 LEU . 25219 1 40 2989 GLY . 25219 1 41 2990 ILE . 25219 1 42 2991 ARG . 25219 1 43 2992 PRO . 25219 1 44 2993 PRO . 25219 1 45 2994 THR . 25219 1 46 2995 ARG . 25219 1 47 2996 THR . 25219 1 48 2997 ALA . 25219 1 49 2998 PRO . 25219 1 50 2999 SER . 25219 1 51 3000 THR . 25219 1 52 3001 ASN . 25219 1 53 3002 SER . 25219 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 . THR 1 1 25219 1 . SER 2 2 25219 1 . SER 3 3 25219 1 . GLU 4 4 25219 1 . GLU 5 5 25219 1 . GLU 6 6 25219 1 . ASP 7 7 25219 1 . PRO 8 8 25219 1 . LEU 9 9 25219 1 . ALA 10 10 25219 1 . GLY 11 11 25219 1 . ILE 12 12 25219 1 . SER 13 13 25219 1 . LEU 14 14 25219 1 . PRO 15 15 25219 1 . GLU 16 16 25219 1 . GLY 17 17 25219 1 . VAL 18 18 25219 1 . ASP 19 19 25219 1 . PRO 20 20 25219 1 . SER 21 21 25219 1 . PHE 22 22 25219 1 . LEU 23 23 25219 1 . ALA 24 24 25219 1 . ALA 25 25 25219 1 . LEU 26 26 25219 1 . PRO 27 27 25219 1 . ASP 28 28 25219 1 . ASP 29 29 25219 1 . ILE 30 30 25219 1 . ARG 31 31 25219 1 . ARG 32 32 25219 1 . GLU 33 33 25219 1 . VAL 34 34 25219 1 . LEU 35 35 25219 1 . GLN 36 36 25219 1 . ASN 37 37 25219 1 . GLN 38 38 25219 1 . LEU 39 39 25219 1 . GLY 40 40 25219 1 . ILE 41 41 25219 1 . ARG 42 42 25219 1 . PRO 43 43 25219 1 . PRO 44 44 25219 1 . THR 45 45 25219 1 . ARG 46 46 25219 1 . THR 47 47 25219 1 . ALA 48 48 25219 1 . PRO 49 49 25219 1 . SER 50 50 25219 1 . THR 51 51 25219 1 . ASN 52 52 25219 1 . SER 53 53 25219 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 25219 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25219 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 25219 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX2TK . . . 25219 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25219 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N]' . . 1 $entity . . 0.4 . . mM . . . . 25219 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25219 1 3 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 25219 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25219 1 5 'potassium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 25219 1 6 CHAPS 'natural abundance' . . . . . . 0.05 . . mM . . . . 25219 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25219 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25219 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 25219 _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' 300 . mM 25219 1 pH 6.5 . pH 25219 1 pressure 1 . atm 25219 1 temperature 273 . K 25219 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25219 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25219 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25219 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25219 _Software.ID 2 _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' . . 25219 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25219 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25219 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25219 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 25219 3 stop_ save_ save_FMCGUI _Software.Sf_category software _Software.Sf_framecode FMCGUI _Software.Entry_ID 25219 _Software.ID 4 _Software.Name FMCGUI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lemak A., Gutmanas A., Chitayat S., Karra M., Far s C., Sunnerhagen M., and Arrowsmith CH' . . 25219 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25219 4 refinement 25219 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25219 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25219 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25219 5 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 25219 _Software.ID 6 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25219 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25219 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 25219 _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 25219 _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 . . . 25219 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 25219 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25219 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25219 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25219 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25219 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25219 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25219 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25219 1 8 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25219 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25219 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25219 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 25219 _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 . . . . . . . . . 25219 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25219 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25219 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 25219 _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' . . . 25219 1 2 '2D 1H-13C HSQC' . . . 25219 1 3 '3D CBCA(CO)NH' . . . 25219 1 4 '3D HNCO' . . . 25219 1 5 '3D HNCA' . . . 25219 1 6 '3D HCCH-TOCSY' . . . 25219 1 7 '3D HBHA(CO)NH' . . . 25219 1 8 '3D CCH-TOCSY' . . . 25219 1 9 '3D 1H-15N NOESY' . . . 25219 1 10 '3D 1H-13C NOESY' . . . 25219 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 THR H H 1 8.242 0.04 . 1 . . . A 2950 THR H . 25219 1 2 . 1 1 1 1 THR HA H 1 3.725 0.04 . 1 . . . A 2950 THR HA . 25219 1 3 . 1 1 1 1 THR HB H 1 4.062 0.04 . 1 . . . A 2950 THR HB . 25219 1 4 . 1 1 1 1 THR HG21 H 1 1.300 0.04 . 1 . . . A 2950 THR HG21 . 25219 1 5 . 1 1 1 1 THR HG22 H 1 1.300 0.04 . 1 . . . A 2950 THR HG22 . 25219 1 6 . 1 1 1 1 THR HG23 H 1 1.300 0.04 . 1 . . . A 2950 THR HG23 . 25219 1 7 . 1 1 1 1 THR CA C 13 59.018 0.40 . 1 . . . A 2950 THR CA . 25219 1 8 . 1 1 1 1 THR CB C 13 66.934 0.40 . 1 . . . A 2950 THR CB . 25219 1 9 . 1 1 1 1 THR CG2 C 13 18.946 0.40 . 1 . . . A 2950 THR CG2 . 25219 1 10 . 1 1 1 1 THR N N 15 115.164 0.40 . 1 . . . A 2950 THR N . 25219 1 11 . 1 1 3 3 SER HA H 1 4.479 0.04 . 1 . . . A 2952 SER HA . 25219 1 12 . 1 1 3 3 SER HB2 H 1 3.865 0.04 . 2 . . . A 2952 SER HB2 . 25219 1 13 . 1 1 3 3 SER HB3 H 1 3.921 0.04 . 2 . . . A 2952 SER HB3 . 25219 1 14 . 1 1 3 3 SER C C 13 174.789 0.40 . 1 . . . A 2952 SER C . 25219 1 15 . 1 1 3 3 SER CA C 13 55.682 0.40 . 1 . . . A 2952 SER CA . 25219 1 16 . 1 1 3 3 SER CB C 13 61.124 0.40 . 1 . . . A 2952 SER CB . 25219 1 17 . 1 1 4 4 GLU H H 1 8.446 0.04 . 1 . . . A 2953 GLU H . 25219 1 18 . 1 1 4 4 GLU HA H 1 4.280 0.04 . 1 . . . A 2953 GLU HA . 25219 1 19 . 1 1 4 4 GLU HB2 H 1 1.932 0.04 . 2 . . . A 2953 GLU HB2 . 25219 1 20 . 1 1 4 4 GLU HB3 H 1 2.084 0.04 . 2 . . . A 2953 GLU HB3 . 25219 1 21 . 1 1 4 4 GLU HG2 H 1 2.260 0.04 . 2 . . . A 2953 GLU HG2 . 25219 1 22 . 1 1 4 4 GLU HG3 H 1 2.260 0.04 . 2 . . . A 2953 GLU HG3 . 25219 1 23 . 1 1 4 4 GLU C C 13 176.490 0.40 . 1 . . . A 2953 GLU C . 25219 1 24 . 1 1 4 4 GLU CA C 13 54.028 0.40 . 1 . . . A 2953 GLU CA . 25219 1 25 . 1 1 4 4 GLU CB C 13 27.433 0.40 . 1 . . . A 2953 GLU CB . 25219 1 26 . 1 1 4 4 GLU CG C 13 33.548 0.40 . 1 . . . A 2953 GLU CG . 25219 1 27 . 1 1 4 4 GLU N N 15 122.217 0.40 . 1 . . . A 2953 GLU N . 25219 1 28 . 1 1 5 5 GLU H H 1 8.238 0.04 . 1 . . . A 2954 GLU H . 25219 1 29 . 1 1 5 5 GLU HA H 1 4.253 0.04 . 1 . . . A 2954 GLU HA . 25219 1 30 . 1 1 5 5 GLU HB2 H 1 1.921 0.04 . 2 . . . A 2954 GLU HB2 . 25219 1 31 . 1 1 5 5 GLU HB3 H 1 2.047 0.04 . 2 . . . A 2954 GLU HB3 . 25219 1 32 . 1 1 5 5 GLU HG2 H 1 2.258 0.04 . 2 . . . A 2954 GLU HG2 . 25219 1 33 . 1 1 5 5 GLU HG3 H 1 2.258 0.04 . 2 . . . A 2954 GLU HG3 . 25219 1 34 . 1 1 5 5 GLU C C 13 176.361 0.40 . 1 . . . A 2954 GLU C . 25219 1 35 . 1 1 5 5 GLU CA C 13 53.836 0.40 . 1 . . . A 2954 GLU CA . 25219 1 36 . 1 1 5 5 GLU CB C 13 27.754 0.40 . 1 . . . A 2954 GLU CB . 25219 1 37 . 1 1 5 5 GLU CG C 13 33.674 0.40 . 1 . . . A 2954 GLU CG . 25219 1 38 . 1 1 5 5 GLU N N 15 120.731 0.40 . 1 . . . A 2954 GLU N . 25219 1 39 . 1 1 6 6 GLU H H 1 8.275 0.04 . 1 . . . A 2955 GLU H . 25219 1 40 . 1 1 6 6 GLU HA H 1 4.232 0.04 . 1 . . . A 2955 GLU HA . 25219 1 41 . 1 1 6 6 GLU HB2 H 1 1.986 0.04 . 2 . . . A 2955 GLU HB2 . 25219 1 42 . 1 1 6 6 GLU HB3 H 1 1.986 0.04 . 2 . . . A 2955 GLU HB3 . 25219 1 43 . 1 1 6 6 GLU HG2 H 1 2.197 0.04 . 2 . . . A 2955 GLU HG2 . 25219 1 44 . 1 1 6 6 GLU HG3 H 1 2.197 0.04 . 2 . . . A 2955 GLU HG3 . 25219 1 45 . 1 1 6 6 GLU C C 13 175.875 0.40 . 1 . . . A 2955 GLU C . 25219 1 46 . 1 1 6 6 GLU CA C 13 53.064 0.40 . 1 . . . A 2955 GLU CA . 25219 1 47 . 1 1 6 6 GLU CB C 13 27.703 0.40 . 1 . . . A 2955 GLU CB . 25219 1 48 . 1 1 6 6 GLU CG C 13 33.684 0.40 . 1 . . . A 2955 GLU CG . 25219 1 49 . 1 1 6 6 GLU N N 15 121.746 0.40 . 1 . . . A 2955 GLU N . 25219 1 50 . 1 1 7 7 ASP H H 1 8.435 0.04 . 1 . . . A 2956 ASP H . 25219 1 51 . 1 1 7 7 ASP HA H 1 4.882 0.04 . 1 . . . A 2956 ASP HA . 25219 1 52 . 1 1 7 7 ASP HB2 H 1 2.596 0.04 . 2 . . . A 2956 ASP HB2 . 25219 1 53 . 1 1 7 7 ASP HB3 H 1 2.816 0.04 . 1 . . . A 2995 ARG CG . 25219 1 54 . 1 1 46 46 ARG CD C 13 40.763 0.40 . 1 . . . A 2995 ARG CD . 25219 1 55 . 1 1 46 46 ARG N N 15 128.300 0.40 . 2 . . . A 2956 ASP HB3 . 25219 1 56 . 1 1 7 7 ASP CA C 13 49.031 0.40 . 1 . . . A 2956 ASP CA . 25219 1 57 . 1 1 7 7 ASP CB C 13 39.023 0.40 . 1 . . . A 2956 ASP CB . 25219 1 58 . 1 1 7 7 ASP N N 15 122.914 0.40 . 1 . . . A 2956 ASP N . 25219 1 59 . 1 1 8 8 PRO HA H 1 4.429 0.04 . 1 . . . A 2957 PRO HA . 25219 1 60 . 1 1 8 8 PRO HB2 H 1 2.354 0.04 . 2 . . . A 2957 PRO HB2 . 25219 1 61 . 1 1 8 8 PRO HB3 H 1 1.889 0.04 . 2 . . . A 2957 PRO HB3 . 25219 1 62 . 1 1 8 8 PRO HG2 H 1 1.973 0.04 . 2 . . . A 2957 PRO HG2 . 25219 1 63 . 1 1 8 8 PRO HG3 H 1 2.047 0.04 . 2 . . . A 2957 PRO HG3 . 25219 1 64 . 1 1 8 8 PRO HD2 H 1 3.915 0.04 . 2 . . . A 2957 PRO HD2 . 25219 1 65 . 1 1 8 8 PRO HD3 H 1 3.915 0.04 . 2 . . . A 2957 PRO HD3 . 25219 1 66 . 1 1 8 8 PRO C C 13 177.298 0.40 . 1 . . . A 2957 PRO C . 25219 1 67 . 1 1 8 8 PRO CA C 13 61.288 0.40 . 1 . . . A 2957 PRO CA . 25219 1 68 . 1 1 8 8 PRO CB C 13 29.606 0.40 . 1 . . . A 2957 PRO CB . 25219 1 69 . 1 1 8 8 PRO CG C 13 24.652 0.40 . 1 . . . A 2957 PRO CG . 25219 1 70 . 1 1 8 8 PRO CD C 13 48.327 0.40 . 1 . . . A 2957 PRO CD . 25219 1 71 . 1 1 9 9 LEU H H 1 8.347 0.04 . 1 . . . A 2958 LEU H . 25219 1 72 . 1 1 9 9 LEU HA H 1 4.331 0.04 . 1 . . . A 2958 LEU HA . 25219 1 73 . 1 1 9 9 LEU HB2 H 1 1.640 0.04 . 2 . . . A 2958 LEU HB2 . 25219 1 74 . 1 1 9 9 LEU HB3 H 1 1.776 0.04 . 2 . . . A 2958 LEU HB3 . 25219 1 75 . 1 1 9 9 LEU HG H 1 1.595 0.04 . 1 . . . A 2958 LEU HG . 25219 1 76 . 1 1 9 9 LEU HD11 H 1 0.921 0.04 . 2 . . . A 2958 LEU HD11 . 25219 1 77 . 1 1 9 9 LEU HD12 H 1 0.921 0.04 . 2 . . . A 2958 LEU HD12 . 25219 1 78 . 1 1 9 9 LEU HD13 H 1 0.921 0.04 . 2 . . . A 2958 LEU HD13 . 25219 1 79 . 1 1 9 9 LEU HD21 H 1 0.810 0.04 . 2 . . . A 2958 LEU HD21 . 25219 1 80 . 1 1 9 9 LEU HD22 H 1 0.810 0.04 . 2 . . . A 2958 LEU HD22 . 25219 1 81 . 1 1 9 9 LEU HD23 H 1 0.810 0.04 . 2 . . . A 2958 LEU HD23 . 25219 1 82 . 1 1 9 9 LEU C C 13 177.174 0.40 . 1 . . . A 2958 LEU C . 25219 1 83 . 1 1 9 9 LEU CA C 13 51.810 0.40 . 1 . . . A 2958 LEU CA . 25219 1 84 . 1 1 9 9 LEU CB C 13 38.627 0.40 . 1 . . . A 2958 LEU CB . 25219 1 85 . 1 1 9 9 LEU CG C 13 24.470 0.40 . 1 . . . A 2958 LEU CG . 25219 1 86 . 1 1 9 9 LEU CD1 C 13 22.750 0.40 . 2 . . . A 2958 LEU CD1 . 25219 1 87 . 1 1 9 9 LEU CD2 C 13 20.706 0.40 . 2 . . . A 2958 LEU CD2 . 25219 1 88 . 1 1 9 9 LEU N N 15 118.259 0.40 . 1 . . . A 2958 LEU N . 25219 1 89 . 1 1 10 10 ALA H H 1 7.592 0.04 . 1 . . . A 2959 ALA H . 25219 1 90 . 1 1 10 10 ALA HA H 1 4.145 0.04 . 1 . . . A 2959 ALA HA . 25219 1 91 . 1 1 10 10 ALA HB1 H 1 1.433 0.04 . 1 . . . A 2959 ALA HB1 . 25219 1 92 . 1 1 10 10 ALA HB2 H 1 1.433 0.04 . 1 . . . A 2959 ALA HB2 . 25219 1 93 . 1 1 10 10 ALA HB3 H 1 1.433 0.04 . 1 . . . A 2959 ALA HB3 . 25219 1 94 . 1 1 10 10 ALA C C 13 178.523 0.40 . 1 . . . A 2959 ALA C . 25219 1 95 . 1 1 10 10 ALA CA C 13 50.883 0.40 . 1 . . . A 2959 ALA CA . 25219 1 96 . 1 1 10 10 ALA CB C 13 15.945 0.40 . 1 . . . A 2959 ALA CB . 25219 1 97 . 1 1 10 10 ALA N N 15 122.940 0.40 . 1 . . . A 2959 ALA N . 25219 1 98 . 1 1 11 11 GLY H H 1 8.416 0.04 . 1 . . . A 2960 GLY H . 25219 1 99 . 1 1 11 11 GLY HA2 H 1 3.912 0.04 . 2 . . . A 2960 GLY HA2 . 25219 1 100 . 1 1 11 11 GLY HA3 H 1 3.912 0.04 . 2 . . . A 2960 GLY HA3 . 25219 1 101 . 1 1 11 11 GLY C C 13 174.267 0.40 . 1 . . . A 2960 GLY C . 25219 1 102 . 1 1 11 11 GLY CA C 13 42.626 0.40 . 1 . . . A 2960 GLY CA . 25219 1 103 . 1 1 11 11 GLY N N 15 107.687 0.40 . 1 . . . A 2960 GLY N . 25219 1 104 . 1 1 12 12 ILE H H 1 7.635 0.04 . 1 . . . A 2961 ILE H . 25219 1 105 . 1 1 12 12 ILE HA H 1 4.225 0.04 . 1 . . . A 2961 ILE HA . 25219 1 106 . 1 1 12 12 ILE HB H 1 1.894 0.04 . 1 . . . A 2961 ILE HB . 25219 1 107 . 1 1 12 12 ILE HG12 H 1 1.156 0.04 . 2 . . . A 2961 ILE HG12 . 25219 1 108 . 1 1 12 12 ILE HG13 H 1 1.156 0.04 . 2 . . . A 2961 ILE HG13 . 25219 1 109 . 1 1 12 12 ILE HG21 H 1 0.853 0.04 . 1 . . . A 2961 ILE HG21 . 25219 1 110 . 1 1 12 12 ILE HG22 H 1 0.853 0.04 . 1 . . . A 2961 ILE HG22 . 25219 1 111 . 1 1 12 12 ILE HG23 H 1 0.853 0.04 . 1 . . . A 2961 ILE HG23 . 25219 1 112 . 1 1 12 12 ILE HD11 H 1 0.839 0.04 . 1 . . . A 2961 ILE HD11 . 25219 1 113 . 1 1 12 12 ILE HD12 H 1 0.839 0.04 . 1 . . . A 2961 ILE HD12 . 25219 1 114 . 1 1 12 12 ILE HD13 H 1 0.839 0.04 . 1 . . . A 2961 ILE HD13 . 25219 1 115 . 1 1 12 12 ILE C C 13 175.543 0.40 . 1 . . . A 2961 ILE C . 25219 1 116 . 1 1 12 12 ILE CA C 13 58.000 0.40 . 1 . . . A 2961 ILE CA . 25219 1 117 . 1 1 12 12 ILE CB C 13 36.152 0.40 . 1 . . . A 2961 ILE CB . 25219 1 118 . 1 1 12 12 ILE CG1 C 13 24.650 0.40 . 1 . . . A 2961 ILE CG1 . 25219 1 119 . 1 1 12 12 ILE CG2 C 13 14.786 0.40 . 1 . . . A 2961 ILE CG2 . 25219 1 120 . 1 1 12 12 ILE CD1 C 13 10.309 0.40 . 1 . . . A 2961 ILE CD1 . 25219 1 121 . 1 1 12 12 ILE N N 15 119.414 0.40 . 1 . . . A 2961 ILE N . 25219 1 122 . 1 1 13 13 SER H H 1 8.370 0.04 . 1 . . . A 2962 SER H . 25219 1 123 . 1 1 13 13 SER HA H 1 4.554 0.04 . 1 . . . A 2962 SER HA . 25219 1 124 . 1 1 13 13 SER HB2 H 1 3.762 0.04 . 2 . . . A 2962 SER HB2 . 25219 1 125 . 1 1 13 13 SER HB3 H 1 3.762 0.04 . 2 . . . A 2962 SER HB3 . 25219 1 126 . 1 1 13 13 SER C C 13 173.838 0.40 . 1 . . . A 2962 SER C . 25219 1 127 . 1 1 13 13 SER CA C 13 54.670 0.40 . 1 . . . A 2962 SER CA . 25219 1 128 . 1 1 13 13 SER CB C 13 60.809 0.40 . 1 . . . A 2962 SER CB . 25219 1 129 . 1 1 13 13 SER N N 15 120.588 0.40 . 1 . . . A 2962 SER N . 25219 1 130 . 1 1 14 14 LEU H H 1 8.480 0.04 . 1 . . . A 2963 LEU H . 25219 1 131 . 1 1 14 14 LEU HA H 1 4.619 0.04 . 1 . . . A 2963 LEU HA . 25219 1 132 . 1 1 14 14 LEU HB2 H 1 1.433 0.04 . 2 . . . A 2963 LEU HB2 . 25219 1 133 . 1 1 14 14 LEU HB3 H 1 1.686 0.04 . 2 . . . A 2963 LEU HB3 . 25219 1 134 . 1 1 14 14 LEU HD11 H 1 0.914 0.04 . 2 . . . A 2963 LEU HD11 . 25219 1 135 . 1 1 14 14 LEU HD12 H 1 0.914 0.04 . 2 . . . A 2963 LEU HD12 . 25219 1 136 . 1 1 14 14 LEU HD13 H 1 0.914 0.04 . 2 . . . A 2963 LEU HD13 . 25219 1 137 . 1 1 14 14 LEU HD21 H 1 0.855 0.04 . 2 . . . A 2963 LEU HD21 . 25219 1 138 . 1 1 14 14 LEU HD22 H 1 0.855 0.04 . 2 . . . A 2963 LEU HD22 . 25219 1 139 . 1 1 14 14 LEU HD23 H 1 0.855 0.04 . 2 . . . A 2963 LEU HD23 . 25219 1 140 . 1 1 14 14 LEU CA C 13 49.827 0.40 . 1 . . . A 2963 LEU CA . 25219 1 141 . 1 1 14 14 LEU CB C 13 38.030 0.40 . 1 . . . A 2963 LEU CB . 25219 1 142 . 1 1 14 14 LEU CD1 C 13 23.085 0.40 . 2 . . . A 2963 LEU CD1 . 25219 1 143 . 1 1 14 14 LEU CD2 C 13 20.932 0.40 . 2 . . . A 2963 LEU CD2 . 25219 1 144 . 1 1 14 14 LEU N N 15 125.666 0.40 . 1 . . . A 2963 LEU N . 25219 1 145 . 1 1 15 15 PRO HA H 1 4.436 0.04 . 1 . . . A 2964 PRO HA . 25219 1 146 . 1 1 15 15 PRO HB2 H 1 2.330 0.04 . 2 . . . A 2964 PRO HB2 . 25219 1 147 . 1 1 15 15 PRO HB3 H 1 1.866 0.04 . 2 . . . A 2964 PRO HB3 . 25219 1 148 . 1 1 15 15 PRO HG2 H 1 2.030 0.04 . 2 . . . A 2964 PRO HG2 . 25219 1 149 . 1 1 15 15 PRO HG3 H 1 2.030 0.04 . 2 . . . A 2964 PRO HG3 . 25219 1 150 . 1 1 15 15 PRO HD2 H 1 3.377 0.04 . 2 . . . A 2964 PRO HD2 . 25219 1 151 . 1 1 15 15 PRO HD3 H 1 3.849 0.04 . 2 . . . A 2964 PRO HD3 . 25219 1 152 . 1 1 15 15 PRO C C 13 176.237 0.40 . 1 . . . A 2964 PRO C . 25219 1 153 . 1 1 15 15 PRO CA C 13 59.951 0.40 . 1 . . . A 2964 PRO CA . 25219 1 154 . 1 1 15 15 PRO CB C 13 29.466 0.40 . 1 . . . A 2964 PRO CB . 25219 1 155 . 1 1 15 15 PRO CG C 13 24.664 0.40 . 1 . . . A 2964 PRO CG . 25219 1 156 . 1 1 15 15 PRO CD C 13 47.848 0.40 . 1 . . . A 2964 PRO CD . 25219 1 157 . 1 1 16 16 GLU H H 1 8.516 0.04 . 1 . . . A 2965 GLU H . 25219 1 158 . 1 1 16 16 GLU HA H 1 4.096 0.04 . 1 . . . A 2965 GLU HA . 25219 1 159 . 1 1 16 16 GLU HB2 H 1 1.973 0.04 . 2 . . . A 2965 GLU HB2 . 25219 1 160 . 1 1 16 16 GLU HB3 H 1 1.973 0.04 . 2 . . . A 2965 GLU HB3 . 25219 1 161 . 1 1 16 16 GLU HG2 H 1 2.264 0.04 . 2 . . . A 2965 GLU HG2 . 25219 1 162 . 1 1 16 16 GLU HG3 H 1 2.264 0.04 . 2 . . . A 2965 GLU HG3 . 25219 1 163 . 1 1 16 16 GLU C C 13 177.348 0.40 . 1 . . . A 2965 GLU C . 25219 1 164 . 1 1 16 16 GLU CA C 13 54.835 0.40 . 1 . . . A 2965 GLU CA . 25219 1 165 . 1 1 16 16 GLU CB C 13 26.985 0.40 . 1 . . . A 2965 GLU CB . 25219 1 166 . 1 1 16 16 GLU CG C 13 33.797 0.40 . 1 . . . A 2965 GLU CG . 25219 1 167 . 1 1 16 16 GLU N N 15 121.027 0.40 . 1 . . . A 2965 GLU N . 25219 1 168 . 1 1 17 17 GLY H H 1 8.616 0.04 . 1 . . . A 2966 GLY H . 25219 1 169 . 1 1 17 17 GLY HA2 H 1 3.764 0.04 . 2 . . . A 2966 GLY HA2 . 25219 1 170 . 1 1 17 17 GLY HA3 H 1 4.079 0.04 . 2 . . . A 2966 GLY HA3 . 25219 1 171 . 1 1 17 17 GLY C C 13 174.109 0.40 . 1 . . . A 2966 GLY C . 25219 1 172 . 1 1 17 17 GLY CA C 13 42.487 0.40 . 1 . . . A 2966 GLY CA . 25219 1 173 . 1 1 17 17 GLY N N 15 110.606 0.40 . 1 . . . A 2966 GLY N . 25219 1 174 . 1 1 18 18 VAL H H 1 7.566 0.04 . 1 . . . A 2967 VAL H . 25219 1 175 . 1 1 18 18 VAL HA H 1 4.047 0.04 . 1 . . . A 2967 VAL HA . 25219 1 176 . 1 1 18 18 VAL HB H 1 2.045 0.04 . 1 . . . A 2967 VAL HB . 25219 1 177 . 1 1 18 18 VAL HG11 H 1 0.881 0.04 . 2 . . . A 2967 VAL HG11 . 25219 1 178 . 1 1 18 18 VAL HG12 H 1 0.881 0.04 . 2 . . . A 2967 VAL HG12 . 25219 1 179 . 1 1 18 18 VAL HG13 H 1 0.881 0.04 . 2 . . . A 2967 VAL HG13 . 25219 1 180 . 1 1 18 18 VAL HG21 H 1 0.844 0.04 . 2 . . . A 2967 VAL HG21 . 25219 1 181 . 1 1 18 18 VAL HG22 H 1 0.844 0.04 . 2 . . . A 2967 VAL HG22 . 25219 1 182 . 1 1 18 18 VAL HG23 H 1 0.844 0.04 . 2 . . . A 2967 VAL HG23 . 25219 1 183 . 1 1 18 18 VAL C C 13 174.447 0.40 . 1 . . . A 2967 VAL C . 25219 1 184 . 1 1 18 18 VAL CA C 13 58.977 0.40 . 1 . . . A 2967 VAL CA . 25219 1 185 . 1 1 18 18 VAL CB C 13 29.521 0.40 . 1 . . . A 2967 VAL CB . 25219 1 186 . 1 1 18 18 VAL CG1 C 13 18.953 0.40 . 2 . . . A 2967 VAL CG1 . 25219 1 187 . 1 1 18 18 VAL CG2 C 13 18.932 0.40 . 2 . . . A 2967 VAL CG2 . 25219 1 188 . 1 1 18 18 VAL N N 15 119.476 0.40 . 1 . . . A 2967 VAL N . 25219 1 189 . 1 1 19 19 ASP H H 1 8.350 0.04 . 1 . . . A 2968 ASP H . 25219 1 190 . 1 1 19 19 ASP HA H 1 4.905 0.04 . 1 . . . A 2968 ASP HA . 25219 1 191 . 1 1 19 19 ASP HB2 H 1 2.707 0.04 . 2 . . . A 2968 ASP HB2 . 25219 1 192 . 1 1 19 19 ASP HB3 H 1 2.707 0.04 . 2 . . . A 2968 ASP HB3 . 25219 1 193 . 1 1 19 19 ASP CA C 13 49.154 0.40 . 1 . . . A 2968 ASP CA . 25219 1 194 . 1 1 19 19 ASP CB C 13 39.023 0.40 . 1 . . . A 2968 ASP CB . 25219 1 195 . 1 1 19 19 ASP N N 15 127.758 0.40 . 1 . . . A 2968 ASP N . 25219 1 196 . 1 1 20 20 PRO HA H 1 4.234 0.04 . 1 . . . A 2969 PRO HA . 25219 1 197 . 1 1 20 20 PRO HB2 H 1 2.296 0.04 . 2 . . . A 2969 PRO HB2 . 25219 1 198 . 1 1 20 20 PRO HB3 H 1 2.031 0.04 . 2 . . . A 2969 PRO HB3 . 25219 1 199 . 1 1 20 20 PRO HG2 H 1 2.120 0.04 . 2 . . . A 2969 PRO HG2 . 25219 1 200 . 1 1 20 20 PRO HG3 H 1 2.120 0.04 . 2 . . . A 2969 PRO HG3 . 25219 1 201 . 1 1 20 20 PRO HD2 H 1 4.053 0.04 . 2 . . . A 2969 PRO HD2 . 25219 1 202 . 1 1 20 20 PRO HD3 H 1 4.053 0.04 . 2 . . . A 2969 PRO HD3 . 25219 1 203 . 1 1 20 20 PRO C C 13 178.206 0.40 . 1 . . . A 2969 PRO C . 25219 1 204 . 1 1 20 20 PRO CA C 13 62.245 0.40 . 1 . . . A 2969 PRO CA . 25219 1 205 . 1 1 20 20 PRO CB C 13 29.487 0.40 . 1 . . . A 2969 PRO CB . 25219 1 206 . 1 1 20 20 PRO CG C 13 24.897 0.40 . 1 . . . A 2969 PRO CG . 25219 1 207 . 1 1 20 20 PRO CD C 13 48.460 0.40 . 1 . . . A 2969 PRO CD . 25219 1 208 . 1 1 21 21 SER H H 1 8.599 0.04 . 1 . . . A 2970 SER H . 25219 1 209 . 1 1 21 21 SER HA H 1 4.207 0.04 . 1 . . . A 2970 SER HA . 25219 1 210 . 1 1 21 21 SER HB2 H 1 3.904 0.04 . 2 . . . A 2970 SER HB2 . 25219 1 211 . 1 1 21 21 SER HB3 H 1 3.904 0.04 . 2 . . . A 2970 SER HB3 . 25219 1 212 . 1 1 21 21 SER C C 13 176.500 0.40 . 1 . . . A 2970 SER C . 25219 1 213 . 1 1 21 21 SER CA C 13 58.936 0.40 . 1 . . . A 2970 SER CA . 25219 1 214 . 1 1 21 21 SER CB C 13 60.238 0.40 . 1 . . . A 2970 SER CB . 25219 1 215 . 1 1 21 21 SER N N 15 115.429 0.40 . 1 . . . A 2970 SER N . 25219 1 216 . 1 1 22 22 PHE H H 1 7.979 0.04 . 1 . . . A 2971 PHE H . 25219 1 217 . 1 1 22 22 PHE HA H 1 4.361 0.04 . 1 . . . A 2971 PHE HA . 25219 1 218 . 1 1 22 22 PHE HB2 H 1 3.282 0.04 . 2 . . . A 2971 PHE HB2 . 25219 1 219 . 1 1 22 22 PHE HB3 H 1 3.282 0.04 . 2 . . . A 2971 PHE HB3 . 25219 1 220 . 1 1 22 22 PHE HD1 H 1 7.231 0.04 . 3 . . . A 2971 PHE HD1 . 25219 1 221 . 1 1 22 22 PHE HD2 H 1 7.231 0.04 . 3 . . . A 2971 PHE HD2 . 25219 1 222 . 1 1 22 22 PHE HE1 H 1 7.155 0.04 . 3 . . . A 2971 PHE HE1 . 25219 1 223 . 1 1 22 22 PHE HE2 H 1 7.155 0.04 . 3 . . . A 2971 PHE HE2 . 25219 1 224 . 1 1 22 22 PHE C C 13 176.698 0.40 . 1 . . . A 2971 PHE C . 25219 1 225 . 1 1 22 22 PHE CA C 13 57.152 0.40 . 1 . . . A 2971 PHE CA . 25219 1 226 . 1 1 22 22 PHE CB C 13 36.193 0.40 . 1 . . . A 2971 PHE CB . 25219 1 227 . 1 1 22 22 PHE CD1 C 13 128.963 0.40 . 3 . . . A 2971 PHE CD1 . 25219 1 228 . 1 1 22 22 PHE CE1 C 13 126.928 0.40 . 3 . . . A 2971 PHE CE1 . 25219 1 229 . 1 1 22 22 PHE N N 15 122.703 0.40 . 1 . . . A 2971 PHE N . 25219 1 230 . 1 1 23 23 LEU H H 1 7.496 0.04 . 1 . . . A 2972 LEU H . 25219 1 231 . 1 1 23 23 LEU HA H 1 3.796 0.04 . 1 . . . A 2972 LEU HA . 25219 1 232 . 1 1 23 23 LEU HB2 H 1 1.380 0.04 . 2 . . . A 2972 LEU HB2 . 25219 1 233 . 1 1 23 23 LEU HB3 H 1 1.776 0.04 . 2 . . . A 2972 LEU HB3 . 25219 1 234 . 1 1 23 23 LEU HD11 H 1 0.867 0.04 . 2 . . . A 2972 LEU HD11 . 25219 1 235 . 1 1 23 23 LEU HD12 H 1 0.867 0.04 . 2 . . . A 2972 LEU HD12 . 25219 1 236 . 1 1 23 23 LEU HD13 H 1 0.867 0.04 . 2 . . . A 2972 LEU HD13 . 25219 1 237 . 1 1 23 23 LEU HD21 H 1 0.794 0.04 . 2 . . . A 2972 LEU HD21 . 25219 1 238 . 1 1 23 23 LEU HD22 H 1 0.794 0.04 . 2 . . . A 2972 LEU HD22 . 25219 1 239 . 1 1 23 23 LEU HD23 H 1 0.794 0.04 . 2 . . . A 2972 LEU HD23 . 25219 1 240 . 1 1 23 23 LEU C C 13 178.665 0.40 . 1 . . . A 2972 LEU C . 25219 1 241 . 1 1 23 23 LEU CA C 13 54.281 0.40 . 1 . . . A 2972 LEU CA . 25219 1 242 . 1 1 23 23 LEU CB C 13 39.358 0.40 . 1 . . . A 2972 LEU CB . 25219 1 243 . 1 1 23 23 LEU CD1 C 13 23.181 0.40 . 2 . . . A 2972 LEU CD1 . 25219 1 244 . 1 1 23 23 LEU CD2 C 13 21.240 0.40 . 2 . . . A 2972 LEU CD2 . 25219 1 245 . 1 1 23 23 LEU N N 15 117.272 0.40 . 1 . . . A 2972 LEU N . 25219 1 246 . 1 1 24 24 ALA H H 1 7.807 0.04 . 1 . . . A 2973 ALA H . 25219 1 247 . 1 1 24 24 ALA HA H 1 3.993 0.04 . 1 . . . A 2973 ALA HA . 25219 1 248 . 1 1 24 24 ALA HB1 H 1 1.443 0.04 . 1 . . . A 2973 ALA HB1 . 25219 1 249 . 1 1 24 24 ALA HB2 H 1 1.443 0.04 . 1 . . . A 2973 ALA HB2 . 25219 1 250 . 1 1 24 24 ALA HB3 H 1 1.443 0.04 . 1 . . . A 2973 ALA HB3 . 25219 1 251 . 1 1 24 24 ALA C C 13 177.488 0.40 . 1 . . . A 2973 ALA C . 25219 1 252 . 1 1 24 24 ALA CA C 13 51.451 0.40 . 1 . . . A 2973 ALA CA . 25219 1 253 . 1 1 24 24 ALA CB C 13 15.870 0.40 . 1 . . . A 2973 ALA CB . 25219 1 254 . 1 1 24 24 ALA N N 15 119.178 0.40 . 1 . . . A 2973 ALA N . 25219 1 255 . 1 1 25 25 ALA H H 1 7.302 0.04 . 1 . . . A 2974 ALA H . 25219 1 256 . 1 1 25 25 ALA HA H 1 4.285 0.04 . 1 . . . A 2974 ALA HA . 25219 1 257 . 1 1 25 25 ALA HB1 H 1 1.411 0.04 . 1 . . . A 2974 ALA HB1 . 25219 1 258 . 1 1 25 25 ALA HB2 H 1 1.411 0.04 . 1 . . . A 2974 ALA HB2 . 25219 1 259 . 1 1 25 25 ALA HB3 H 1 1.411 0.04 . 1 . . . A 2974 ALA HB3 . 25219 1 260 . 1 1 25 25 ALA C C 13 177.480 0.40 . 1 . . . A 2974 ALA C . 25219 1 261 . 1 1 25 25 ALA CA C 13 49.345 0.40 . 1 . . . A 2974 ALA CA . 25219 1 262 . 1 1 25 25 ALA CB C 13 16.356 0.40 . 1 . . . A 2974 ALA CB . 25219 1 263 . 1 1 25 25 ALA N N 15 117.658 0.40 . 1 . . . A 2974 ALA N . 25219 1 264 . 1 1 26 26 LEU H H 1 7.178 0.04 . 1 . . . A 2975 LEU H . 25219 1 265 . 1 1 26 26 LEU HA H 1 4.425 0.04 . 1 . . . A 2975 LEU HA . 25219 1 266 . 1 1 26 26 LEU HB2 H 1 1.226 0.04 . 2 . . . A 2975 LEU HB2 . 25219 1 267 . 1 1 26 26 LEU HB3 H 1 1.746 0.04 . 2 . . . A 2975 LEU HB3 . 25219 1 268 . 1 1 26 26 LEU HG H 1 1.864 0.04 . 1 . . . A 2975 LEU HG . 25219 1 269 . 1 1 26 26 LEU HD11 H 1 0.794 0.04 . 2 . . . A 2975 LEU HD11 . 25219 1 270 . 1 1 26 26 LEU HD12 H 1 0.794 0.04 . 2 . . . A 2975 LEU HD12 . 25219 1 271 . 1 1 26 26 LEU HD13 H 1 0.794 0.04 . 2 . . . A 2975 LEU HD13 . 25219 1 272 . 1 1 26 26 LEU HD21 H 1 0.750 0.04 . 2 . . . A 2975 LEU HD21 . 25219 1 273 . 1 1 26 26 LEU HD22 H 1 0.750 0.04 . 2 . . . A 2975 LEU HD22 . 25219 1 274 . 1 1 26 26 LEU HD23 H 1 0.750 0.04 . 2 . . . A 2975 LEU HD23 . 25219 1 275 . 1 1 26 26 LEU CA C 13 50.224 0.40 . 1 . . . A 2975 LEU CA . 25219 1 276 . 1 1 26 26 LEU CB C 13 39.300 0.40 . 1 . . . A 2975 LEU CB . 25219 1 277 . 1 1 26 26 LEU CG C 13 23.536 0.40 . 1 . . . A 2975 LEU CG . 25219 1 278 . 1 1 26 26 LEU CD1 C 13 23.536 0.40 . 2 . . . A 2975 LEU CD1 . 25219 1 279 . 1 1 26 26 LEU CD2 C 13 20.218 0.40 . 2 . . . A 2975 LEU CD2 . 25219 1 280 . 1 1 26 26 LEU N N 15 118.725 0.40 . 1 . . . A 2975 LEU N . 25219 1 281 . 1 1 27 27 PRO HA H 1 4.518 0.04 . 1 . . . A 2976 PRO HA . 25219 1 282 . 1 1 27 27 PRO HB2 H 1 2.502 0.04 . 2 . . . A 2976 PRO HB2 . 25219 1 283 . 1 1 27 27 PRO HB3 H 1 2.044 0.04 . 2 . . . A 2976 PRO HB3 . 25219 1 284 . 1 1 27 27 PRO HG2 H 1 2.131 0.04 . 2 . . . A 2976 PRO HG2 . 25219 1 285 . 1 1 27 27 PRO HG3 H 1 2.131 0.04 . 2 . . . A 2976 PRO HG3 . 25219 1 286 . 1 1 27 27 PRO HD2 H 1 3.374 0.04 . 2 . . . A 2976 PRO HD2 . 25219 1 287 . 1 1 27 27 PRO HD3 H 1 3.967 0.04 . 2 . . . A 2976 PRO HD3 . 25219 1 288 . 1 1 27 27 PRO C C 13 177.298 0.40 . 1 . . . A 2976 PRO C . 25219 1 289 . 1 1 27 27 PRO CA C 13 59.975 0.40 . 1 . . . A 2976 PRO CA . 25219 1 290 . 1 1 27 27 PRO CB C 13 30.042 0.40 . 1 . . . A 2976 PRO CB . 25219 1 291 . 1 1 27 27 PRO CG C 13 25.006 0.40 . 1 . . . A 2976 PRO CG . 25219 1 292 . 1 1 27 27 PRO CD C 13 47.633 0.40 . 1 . . . A 2976 PRO CD . 25219 1 293 . 1 1 28 28 ASP H H 1 8.755 0.04 . 1 . . . A 2977 ASP H . 25219 1 294 . 1 1 28 28 ASP HA H 1 4.174 0.04 . 1 . . . A 2977 ASP HA . 25219 1 295 . 1 1 28 28 ASP HB2 H 1 2.682 0.04 . 2 . . . A 2977 ASP HB2 . 25219 1 296 . 1 1 28 28 ASP HB3 H 1 2.682 0.04 . 2 . . . A 2977 ASP HB3 . 25219 1 297 . 1 1 28 28 ASP C C 13 177.316 0.40 . 1 . . . A 2977 ASP C . 25219 1 298 . 1 1 28 28 ASP CA C 13 55.552 0.40 . 1 . . . A 2977 ASP CA . 25219 1 299 . 1 1 28 28 ASP CB C 13 38.743 0.40 . 1 . . . A 2977 ASP CB . 25219 1 300 . 1 1 28 28 ASP N N 15 121.834 0.40 . 1 . . . A 2977 ASP N . 25219 1 301 . 1 1 29 29 ASP H H 1 8.864 0.04 . 1 . . . A 2978 ASP H . 25219 1 302 . 1 1 29 29 ASP HA H 1 4.301 0.04 . 1 . . . A 2978 ASP HA . 25219 1 303 . 1 1 29 29 ASP HB2 H 1 2.624 0.04 . 2 . . . A 2978 ASP HB2 . 25219 1 304 . 1 1 29 29 ASP HB3 H 1 2.747 0.04 . 2 . . . A 2978 ASP HB3 . 25219 1 305 . 1 1 29 29 ASP C C 13 178.233 0.40 . 1 . . . A 2978 ASP C . 25219 1 306 . 1 1 29 29 ASP CA C 13 53.987 0.40 . 1 . . . A 2978 ASP CA . 25219 1 307 . 1 1 29 29 ASP CB C 13 36.712 0.40 . 1 . . . A 2978 ASP CB . 25219 1 308 . 1 1 29 29 ASP N N 15 116.412 0.40 . 1 . . . A 2978 ASP N . 25219 1 309 . 1 1 30 30 ILE H H 1 7.415 0.04 . 1 . . . A 2979 ILE H . 25219 1 310 . 1 1 30 30 ILE HA H 1 3.953 0.04 . 1 . . . A 2979 ILE HA . 25219 1 311 . 1 1 30 30 ILE HB H 1 1.871 0.04 . 1 . . . A 2979 ILE HB . 25219 1 312 . 1 1 30 30 ILE HG12 H 1 1.316 0.04 . 2 . . . A 2979 ILE HG12 . 25219 1 313 . 1 1 30 30 ILE HG13 H 1 1.582 0.04 . 2 . . . A 2979 ILE HG13 . 25219 1 314 . 1 1 30 30 ILE HG21 H 1 0.964 0.04 . 1 . . . A 2979 ILE HG21 . 25219 1 315 . 1 1 30 30 ILE HG22 H 1 0.964 0.04 . 1 . . . A 2979 ILE HG22 . 25219 1 316 . 1 1 30 30 ILE HG23 H 1 0.964 0.04 . 1 . . . A 2979 ILE HG23 . 25219 1 317 . 1 1 30 30 ILE HD11 H 1 0.854 0.04 . 1 . . . A 2979 ILE HD11 . 25219 1 318 . 1 1 30 30 ILE HD12 H 1 0.854 0.04 . 1 . . . A 2979 ILE HD12 . 25219 1 319 . 1 1 30 30 ILE HD13 H 1 0.854 0.04 . 1 . . . A 2979 ILE HD13 . 25219 1 320 . 1 1 30 30 ILE CA C 13 60.067 0.40 . 1 . . . A 2979 ILE CA . 25219 1 321 . 1 1 30 30 ILE CB C 13 34.867 0.40 . 1 . . . A 2979 ILE CB . 25219 1 322 . 1 1 30 30 ILE CG1 C 13 25.287 0.40 . 1 . . . A 2979 ILE CG1 . 25219 1 323 . 1 1 30 30 ILE CG2 C 13 15.661 0.40 . 1 . . . A 2979 ILE CG2 . 25219 1 324 . 1 1 30 30 ILE CD1 C 13 9.137 0.40 . 1 . . . A 2979 ILE CD1 . 25219 1 325 . 1 1 30 30 ILE N N 15 120.442 0.40 . 1 . . . A 2979 ILE N . 25219 1 326 . 1 1 31 31 ARG H H 1 8.510 0.04 . 1 . . . A 2980 ARG H . 25219 1 327 . 1 1 31 31 ARG HA H 1 3.689 0.04 . 1 . . . A 2980 ARG HA . 25219 1 328 . 1 1 31 31 ARG HB2 H 1 1.830 0.04 . 2 . . . A 2980 ARG HB2 . 25219 1 329 . 1 1 31 31 ARG HB3 H 1 1.830 0.04 . 2 . . . A 2980 ARG HB3 . 25219 1 330 . 1 1 31 31 ARG HG2 H 1 1.582 0.04 . 2 . . . A 2980 ARG HG2 . 25219 1 331 . 1 1 31 31 ARG HG3 H 1 1.582 0.04 . 2 . . . A 2980 ARG HG3 . 25219 1 332 . 1 1 31 31 ARG HD2 H 1 3.219 0.04 . 2 . . . A 2980 ARG HD2 . 25219 1 333 . 1 1 31 31 ARG HD3 H 1 3.219 0.04 . 2 . . . A 2980 ARG HD3 . 25219 1 334 . 1 1 31 31 ARG C C 13 177.513 0.40 . 1 . . . A 2980 ARG C . 25219 1 335 . 1 1 31 31 ARG CA C 13 57.401 0.40 . 1 . . . A 2980 ARG CA . 25219 1 336 . 1 1 31 31 ARG CB C 13 27.689 0.40 . 1 . . . A 2980 ARG CB . 25219 1 337 . 1 1 31 31 ARG CG C 13 24.432 0.40 . 1 . . . A 2980 ARG CG . 25219 1 338 . 1 1 31 31 ARG CD C 13 40.838 0.40 . 1 . . . A 2980 ARG CD . 25219 1 339 . 1 1 31 31 ARG N N 15 120.657 0.40 . 1 . . . A 2980 ARG N . 25219 1 340 . 1 1 32 32 ARG H H 1 8.067 0.04 . 1 . . . A 2981 ARG H . 25219 1 341 . 1 1 32 32 ARG HA H 1 3.937 0.04 . 1 . . . A 2981 ARG HA . 25219 1 342 . 1 1 32 32 ARG HB2 H 1 1.908 0.04 . 2 . . . A 2981 ARG HB2 . 25219 1 343 . 1 1 32 32 ARG HB3 H 1 1.908 0.04 . 2 . . . A 2981 ARG HB3 . 25219 1 344 . 1 1 32 32 ARG HG2 H 1 1.547 0.04 . 2 . . . A 2981 ARG HG2 . 25219 1 345 . 1 1 32 32 ARG HG3 H 1 1.760 0.04 . 2 . . . A 2981 ARG HG3 . 25219 1 346 . 1 1 32 32 ARG HD2 H 1 3.203 0.04 . 2 . . . A 2981 ARG HD2 . 25219 1 347 . 1 1 32 32 ARG HD3 H 1 3.203 0.04 . 2 . . . A 2981 ARG HD3 . 25219 1 348 . 1 1 32 32 ARG C C 13 178.035 0.40 . 1 . . . A 2981 ARG C . 25219 1 349 . 1 1 32 32 ARG CA C 13 56.995 0.40 . 1 . . . A 2981 ARG CA . 25219 1 350 . 1 1 32 32 ARG CB C 13 27.190 0.40 . 1 . . . A 2981 ARG CB . 25219 1 351 . 1 1 32 32 ARG CG C 13 25.102 0.40 . 1 . . . A 2981 ARG CG . 25219 1 352 . 1 1 32 32 ARG CD C 13 40.759 0.40 . 1 . . . A 2981 ARG CD . 25219 1 353 . 1 1 32 32 ARG N N 15 116.509 0.40 . 1 . . . A 2981 ARG N . 25219 1 354 . 1 1 33 33 GLU H H 1 7.499 0.04 . 1 . . . A 2982 GLU H . 25219 1 355 . 1 1 33 33 GLU HA H 1 4.102 0.04 . 1 . . . A 2982 GLU HA . 25219 1 356 . 1 1 33 33 GLU HB2 H 1 2.156 0.04 . 2 . . . A 2982 GLU HB2 . 25219 1 357 . 1 1 33 33 GLU HB3 H 1 2.156 0.04 . 2 . . . A 2982 GLU HB3 . 25219 1 358 . 1 1 33 33 GLU HG2 H 1 2.348 0.04 . 2 . . . A 2982 GLU HG2 . 25219 1 359 . 1 1 33 33 GLU HG3 H 1 2.348 0.04 . 2 . . . A 2982 GLU HG3 . 25219 1 360 . 1 1 33 33 GLU C C 13 178.806 0.40 . 1 . . . A 2982 GLU C . 25219 1 361 . 1 1 33 33 GLU CA C 13 56.461 0.40 . 1 . . . A 2982 GLU CA . 25219 1 362 . 1 1 33 33 GLU CB C 13 26.438 0.40 . 1 . . . A 2982 GLU CB . 25219 1 363 . 1 1 33 33 GLU CG C 13 33.370 0.40 . 1 . . . A 2982 GLU CG . 25219 1 364 . 1 1 33 33 GLU N N 15 119.039 0.40 . 1 . . . A 2982 GLU N . 25219 1 365 . 1 1 34 34 VAL H H 1 8.313 0.04 . 1 . . . A 2983 VAL H . 25219 1 366 . 1 1 34 34 VAL HA H 1 3.754 0.04 . 1 . . . A 2983 VAL HA . 25219 1 367 . 1 1 34 34 VAL HB H 1 2.162 0.04 . 1 . . . A 2983 VAL HB . 25219 1 368 . 1 1 34 34 VAL HG11 H 1 1.060 0.04 . 2 . . . A 2983 VAL HG11 . 25219 1 369 . 1 1 34 34 VAL HG12 H 1 1.060 0.04 . 2 . . . A 2983 VAL HG12 . 25219 1 370 . 1 1 34 34 VAL HG13 H 1 1.060 0.04 . 2 . . . A 2983 VAL HG13 . 25219 1 371 . 1 1 34 34 VAL HG21 H 1 0.931 0.04 . 2 . . . A 2983 VAL HG21 . 25219 1 372 . 1 1 34 34 VAL HG22 H 1 0.931 0.04 . 2 . . . A 2983 VAL HG22 . 25219 1 373 . 1 1 34 34 VAL HG23 H 1 0.931 0.04 . 2 . . . A 2983 VAL HG23 . 25219 1 374 . 1 1 34 34 VAL C C 13 178.135 0.40 . 1 . . . A 2983 VAL C . 25219 1 375 . 1 1 34 34 VAL CA C 13 63.236 0.40 . 1 . . . A 2983 VAL CA . 25219 1 376 . 1 1 34 34 VAL CB C 13 29.193 0.40 . 1 . . . A 2983 VAL CB . 25219 1 377 . 1 1 34 34 VAL CG1 C 13 20.265 0.40 . 2 . . . A 2983 VAL CG1 . 25219 1 378 . 1 1 34 34 VAL CG2 C 13 19.114 0.40 . 2 . . . A 2983 VAL CG2 . 25219 1 379 . 1 1 34 34 VAL N N 15 119.175 0.40 . 1 . . . A 2983 VAL N . 25219 1 380 . 1 1 35 35 LEU H H 1 8.234 0.04 . 1 . . . A 2984 LEU H . 25219 1 381 . 1 1 35 35 LEU HA H 1 4.069 0.04 . 1 . . . A 2984 LEU HA . 25219 1 382 . 1 1 35 35 LEU HB2 H 1 1.531 0.04 . 2 . . . A 2984 LEU HB2 . 25219 1 383 . 1 1 35 35 LEU HB3 H 1 1.875 0.04 . 2 . . . A 2984 LEU HB3 . 25219 1 384 . 1 1 35 35 LEU HG H 1 1.782 0.04 . 1 . . . A 2984 LEU HG . 25219 1 385 . 1 1 35 35 LEU HD21 H 1 0.841 0.04 . 2 . . . A 2984 LEU HD21 . 25219 1 386 . 1 1 35 35 LEU HD22 H 1 0.841 0.04 . 2 . . . A 2984 LEU HD22 . 25219 1 387 . 1 1 35 35 LEU HD23 H 1 0.841 0.04 . 2 . . . A 2984 LEU HD23 . 25219 1 388 . 1 1 35 35 LEU C C 13 178.322 0.40 . 1 . . . A 2984 LEU C . 25219 1 389 . 1 1 35 35 LEU CA C 13 54.807 0.40 . 1 . . . A 2984 LEU CA . 25219 1 390 . 1 1 35 35 LEU CB C 13 38.921 0.40 . 1 . . . A 2984 LEU CB . 25219 1 391 . 1 1 35 35 LEU CG C 13 24.023 0.40 . 1 . . . A 2984 LEU CG . 25219 1 392 . 1 1 35 35 LEU CD2 C 13 20.741 0.40 . 2 . . . A 2984 LEU CD2 . 25219 1 393 . 1 1 35 35 LEU N N 15 119.004 0.40 . 1 . . . A 2984 LEU N . 25219 1 394 . 1 1 36 36 GLN H H 1 8.128 0.04 . 1 . . . A 2985 GLN H . 25219 1 395 . 1 1 36 36 GLN HA H 1 4.149 0.04 . 1 . . . A 2985 GLN HA . 25219 1 396 . 1 1 36 36 GLN HB2 H 1 2.109 0.04 . 2 . . . A 2985 GLN HB2 . 25219 1 397 . 1 1 36 36 GLN HB3 H 1 2.109 0.04 . 2 . . . A 2985 GLN HB3 . 25219 1 398 . 1 1 36 36 GLN HG2 H 1 2.381 0.04 . 2 . . . A 2985 GLN HG2 . 25219 1 399 . 1 1 36 36 GLN HG3 H 1 2.381 0.04 . 2 . . . A 2985 GLN HG3 . 25219 1 400 . 1 1 36 36 GLN HE21 H 1 7.456 0.04 . 2 . . . A 2985 GLN HE21 . 25219 1 401 . 1 1 36 36 GLN HE22 H 1 6.850 0.04 . 2 . . . A 2985 GLN HE22 . 25219 1 402 . 1 1 36 36 GLN C C 13 177.482 0.40 . 1 . . . A 2985 GLN C . 25219 1 403 . 1 1 36 36 GLN CA C 13 55.504 0.40 . 1 . . . A 2985 GLN CA . 25219 1 404 . 1 1 36 36 GLN CB C 13 26.339 0.40 . 1 . . . A 2985 GLN CB . 25219 1 405 . 1 1 36 36 GLN CG C 13 31.644 0.40 . 1 . . . A 2985 GLN CG . 25219 1 406 . 1 1 36 36 GLN N N 15 116.713 0.40 . 1 . . . A 2985 GLN N . 25219 1 407 . 1 1 36 36 GLN NE2 N 15 111.220 0.40 . 1 . . . A 2985 GLN NE2 . 25219 1 408 . 1 1 37 37 ASN H H 1 8.121 0.04 . 1 . . . A 2986 ASN H . 25219 1 409 . 1 1 37 37 ASN HA H 1 4.700 0.04 . 1 . . . A 2986 ASN HA . 25219 1 410 . 1 1 37 37 ASN HB2 H 1 2.887 0.04 . 2 . . . A 2986 ASN HB2 . 25219 1 411 . 1 1 37 37 ASN HB3 H 1 2.932 0.04 . 2 . . . A 2986 ASN HB3 . 25219 1 412 . 1 1 37 37 ASN HD21 H 1 7.034 0.04 . 2 . . . A 2986 ASN HD21 . 25219 1 413 . 1 1 37 37 ASN HD22 H 1 7.807 0.04 . 2 . . . A 2986 ASN HD22 . 25219 1 414 . 1 1 37 37 ASN C C 13 176.350 0.40 . 1 . . . A 2986 ASN C . 25219 1 415 . 1 1 37 37 ASN CA C 13 52.045 0.40 . 1 . . . A 2986 ASN CA . 25219 1 416 . 1 1 37 37 ASN CB C 13 36.439 0.40 . 1 . . . A 2986 ASN CB . 25219 1 417 . 1 1 37 37 ASN N N 15 116.382 0.40 . 1 . . . A 2986 ASN N . 25219 1 418 . 1 1 37 37 ASN ND2 N 15 113.396 0.40 . 1 . . . A 2986 ASN ND2 . 25219 1 419 . 1 1 38 38 GLN H H 1 8.147 0.04 . 1 . . . A 2987 GLN H . 25219 1 420 . 1 1 38 38 GLN HA H 1 4.341 0.04 . 1 . . . A 2987 GLN HA . 25219 1 421 . 1 1 38 38 GLN HB2 H 1 2.195 0.04 . 2 . . . A 2987 GLN HB2 . 25219 1 422 . 1 1 38 38 GLN HB3 H 1 2.195 0.04 . 2 . . . A 2987 GLN HB3 . 25219 1 423 . 1 1 38 38 GLN HG2 H 1 2.394 0.04 . 2 . . . A 2987 GLN HG2 . 25219 1 424 . 1 1 38 38 GLN HG3 H 1 2.394 0.04 . 2 . . . A 2987 GLN HG3 . 25219 1 425 . 1 1 38 38 GLN HE21 H 1 7.591 0.04 . 2 . . . A 2987 GLN HE21 . 25219 1 426 . 1 1 38 38 GLN HE22 H 1 6.763 0.04 . 2 . . . A 2987 GLN HE22 . 25219 1 427 . 1 1 38 38 GLN C C 13 176.768 0.40 . 1 . . . A 2987 GLN C . 25219 1 428 . 1 1 38 38 GLN CA C 13 54.216 0.40 . 1 . . . A 2987 GLN CA . 25219 1 429 . 1 1 38 38 GLN CB C 13 26.349 0.40 . 1 . . . A 2987 GLN CB . 25219 1 430 . 1 1 38 38 GLN CG C 13 31.596 0.40 . 1 . . . A 2987 GLN CG . 25219 1 431 . 1 1 38 38 GLN N N 15 117.882 0.40 . 1 . . . A 2987 GLN N . 25219 1 432 . 1 1 38 38 GLN NE2 N 15 111.498 0.40 . 1 . . . A 2987 GLN NE2 . 25219 1 433 . 1 1 39 39 LEU H H 1 7.960 0.04 . 1 . . . A 2988 LEU H . 25219 1 434 . 1 1 39 39 LEU HA H 1 4.391 0.04 . 1 . . . A 2988 LEU HA . 25219 1 435 . 1 1 39 39 LEU HB2 H 1 1.634 0.04 . 2 . . . A 2988 LEU HB2 . 25219 1 436 . 1 1 39 39 LEU HB3 H 1 1.891 0.04 . 2 . . . A 2988 LEU HB3 . 25219 1 437 . 1 1 39 39 LEU HG H 1 1.694 0.04 . 1 . . . A 2988 LEU HG . 25219 1 438 . 1 1 39 39 LEU HD11 H 1 0.879 0.04 . 2 . . . A 2988 LEU HD11 . 25219 1 439 . 1 1 39 39 LEU HD12 H 1 0.879 0.04 . 2 . . . A 2988 LEU HD12 . 25219 1 440 . 1 1 39 39 LEU HD13 H 1 0.879 0.04 . 2 . . . A 2988 LEU HD13 . 25219 1 441 . 1 1 39 39 LEU HD21 H 1 0.884 0.04 . 2 . . . A 2988 LEU HD21 . 25219 1 442 . 1 1 39 39 LEU HD22 H 1 0.884 0.04 . 2 . . . A 2988 LEU HD22 . 25219 1 443 . 1 1 39 39 LEU HD23 H 1 0.884 0.04 . 2 . . . A 2988 LEU HD23 . 25219 1 444 . 1 1 39 39 LEU C C 13 177.471 0.40 . 1 . . . A 2988 LEU C . 25219 1 445 . 1 1 39 39 LEU CA C 13 52.688 0.40 . 1 . . . A 2988 LEU CA . 25219 1 446 . 1 1 39 39 LEU CB C 13 39.681 0.40 . 1 . . . A 2988 LEU CB . 25219 1 447 . 1 1 39 39 LEU CG C 13 24.240 0.40 . 1 . . . A 2988 LEU CG . 25219 1 448 . 1 1 39 39 LEU CD1 C 13 22.415 0.40 . 2 . . . A 2988 LEU CD1 . 25219 1 449 . 1 1 39 39 LEU CD2 C 13 20.809 0.40 . 2 . . . A 2988 LEU CD2 . 25219 1 450 . 1 1 39 39 LEU N N 15 118.293 0.40 . 1 . . . A 2988 LEU N . 25219 1 451 . 1 1 40 40 GLY H H 1 7.816 0.04 . 1 . . . A 2989 GLY H . 25219 1 452 . 1 1 40 40 GLY HA2 H 1 3.920 0.04 . 2 . . . A 2989 GLY HA2 . 25219 1 453 . 1 1 40 40 GLY HA3 H 1 3.920 0.04 . 2 . . . A 2989 GLY HA3 . 25219 1 454 . 1 1 40 40 GLY C C 13 174.219 0.40 . 1 . . . A 2989 GLY C . 25219 1 455 . 1 1 40 40 GLY CA C 13 42.913 0.40 . 1 . . . A 2989 GLY CA . 25219 1 456 . 1 1 40 40 GLY N N 15 107.693 0.40 . 1 . . . A 2989 GLY N . 25219 1 457 . 1 1 41 41 ILE H H 1 7.919 0.04 . 1 . . . A 2990 ILE H . 25219 1 458 . 1 1 41 41 ILE HA H 1 4.133 0.04 . 1 . . . A 2990 ILE HA . 25219 1 459 . 1 1 41 41 ILE HB H 1 1.769 0.04 . 1 . . . A 2990 ILE HB . 25219 1 460 . 1 1 41 41 ILE HG12 H 1 1.141 0.04 . 2 . . . A 2990 ILE HG12 . 25219 1 461 . 1 1 41 41 ILE HG13 H 1 1.428 0.04 . 2 . . . A 2990 ILE HG13 . 25219 1 462 . 1 1 41 41 ILE HG21 H 1 0.891 0.04 . 1 . . . A 2990 ILE HG21 . 25219 1 463 . 1 1 41 41 ILE HG22 H 1 0.891 0.04 . 1 . . . A 2990 ILE HG22 . 25219 1 464 . 1 1 41 41 ILE HG23 H 1 0.891 0.04 . 1 . . . A 2990 ILE HG23 . 25219 1 465 . 1 1 41 41 ILE HD11 H 1 0.843 0.04 . 1 . . . A 2990 ILE HD11 . 25219 1 466 . 1 1 41 41 ILE HD12 H 1 0.843 0.04 . 1 . . . A 2990 ILE HD12 . 25219 1 467 . 1 1 41 41 ILE HD13 H 1 0.843 0.04 . 1 . . . A 2990 ILE HD13 . 25219 1 468 . 1 1 41 41 ILE C C 13 175.586 0.40 . 1 . . . A 2990 ILE C . 25219 1 469 . 1 1 41 41 ILE CA C 13 58.068 0.40 . 1 . . . A 2990 ILE CA . 25219 1 470 . 1 1 41 41 ILE CB C 13 35.858 0.40 . 1 . . . A 2990 ILE CB . 25219 1 471 . 1 1 41 41 ILE CG1 C 13 24.516 0.40 . 1 . . . A 2990 ILE CG1 . 25219 1 472 . 1 1 41 41 ILE CG2 C 13 14.780 0.40 . 1 . . . A 2990 ILE CG2 . 25219 1 473 . 1 1 41 41 ILE CD1 C 13 10.582 0.40 . 1 . . . A 2990 ILE CD1 . 25219 1 474 . 1 1 41 41 ILE N N 15 119.792 0.40 . 1 . . . A 2990 ILE N . 25219 1 475 . 1 1 42 42 ARG H H 1 8.324 0.04 . 1 . . . A 2991 ARG H . 25219 1 476 . 1 1 42 42 ARG HA H 1 4.646 0.04 . 1 . . . A 2991 ARG HA . 25219 1 477 . 1 1 42 42 ARG HB2 H 1 1.830 0.04 . 2 . . . A 2991 ARG HB2 . 25219 1 478 . 1 1 42 42 ARG HB3 H 1 1.830 0.04 . 2 . . . A 2991 ARG HB3 . 25219 1 479 . 1 1 42 42 ARG HG2 H 1 1.655 0.04 . 2 . . . A 2991 ARG HG2 . 25219 1 480 . 1 1 42 42 ARG HG3 H 1 1.655 0.04 . 2 . . . A 2991 ARG HG3 . 25219 1 481 . 1 1 42 42 ARG HD2 H 1 3.191 0.04 . 2 . . . A 2991 ARG HD2 . 25219 1 482 . 1 1 42 42 ARG HD3 H 1 3.191 0.04 . 2 . . . A 2991 ARG HD3 . 25219 1 483 . 1 1 42 42 ARG CA C 13 50.791 0.40 . 1 . . . A 2991 ARG CA . 25219 1 484 . 1 1 42 42 ARG CB C 13 27.768 0.40 . 1 . . . A 2991 ARG CB . 25219 1 485 . 1 1 42 42 ARG CG C 13 24.206 0.40 . 1 . . . A 2991 ARG CG . 25219 1 486 . 1 1 42 42 ARG CD C 13 40.763 0.40 . 1 . . . A 2991 ARG CD . 25219 1 487 . 1 1 42 42 ARG N N 15 126.315 0.40 . 1 . . . A 2991 ARG N . 25219 1 488 . 1 1 43 43 PRO HA H 1 4.476 0.04 . 1 . . . A 2992 PRO HA . 25219 1 489 . 1 1 43 43 PRO HB2 H 1 2.372 0.04 . 2 . . . A 2992 PRO HB2 . 25219 1 490 . 1 1 43 43 PRO HB3 H 1 1.951 0.04 . 2 . . . A 2992 PRO HB3 . 25219 1 491 . 1 1 43 43 PRO HG2 H 1 2.038 0.04 . 2 . . . A 2992 PRO HG2 . 25219 1 492 . 1 1 43 43 PRO HG3 H 1 2.038 0.04 . 2 . . . A 2992 PRO HG3 . 25219 1 493 . 1 1 43 43 PRO HD2 H 1 3.808 0.04 . 2 . . . A 2992 PRO HD2 . 25219 1 494 . 1 1 43 43 PRO HD3 H 1 3.808 0.04 . 2 . . . A 2992 PRO HD3 . 25219 1 495 . 1 1 43 43 PRO CA C 13 60.286 0.40 . 1 . . . A 2992 PRO CA . 25219 1 496 . 1 1 43 43 PRO CB C 13 29.432 0.40 . 1 . . . A 2992 PRO CB . 25219 1 497 . 1 1 43 43 PRO CG C 13 24.637 0.40 . 1 . . . A 2992 PRO CG . 25219 1 498 . 1 1 43 43 PRO CD C 13 47.749 0.40 . 1 . . . A 2992 PRO CD . 25219 1 499 . 1 1 44 44 PRO HA H 1 4.477 0.04 . 1 . . . A 2993 PRO HA . 25219 1 500 . 1 1 44 44 PRO HB2 H 1 2.320 0.04 . 2 . . . A 2993 PRO HB2 . 25219 1 501 . 1 1 44 44 PRO HB3 H 1 1.944 0.04 . 2 . . . A 2993 PRO HB3 . 25219 1 502 . 1 1 44 44 PRO HG2 H 1 2.040 0.04 . 2 . . . A 2993 PRO HG2 . 25219 1 503 . 1 1 44 44 PRO HG3 H 1 2.040 0.04 . 2 . . . A 2993 PRO HG3 . 25219 1 504 . 1 1 44 44 PRO HD2 H 1 3.652 0.04 . 2 . . . A 2993 PRO HD2 . 25219 1 505 . 1 1 44 44 PRO HD3 H 1 3.652 0.04 . 2 . . . A 2993 PRO HD3 . 25219 1 506 . 1 1 44 44 PRO C C 13 176.999 0.40 . 1 . . . A 2993 PRO C . 25219 1 507 . 1 1 44 44 PRO CA C 13 59.944 0.40 . 1 . . . A 2993 PRO CA . 25219 1 508 . 1 1 44 44 PRO CB C 13 28.873 0.40 . 1 . . . A 2993 PRO CB . 25219 1 509 . 1 1 44 44 PRO CG C 13 24.487 0.40 . 1 . . . A 2993 PRO CG . 25219 1 510 . 1 1 44 44 PRO CD C 13 47.513 0.40 . 1 . . . A 2993 PRO CD . 25219 1 511 . 1 1 45 45 THR H H 1 8.270 0.04 . 1 . . . A 2994 THR H . 25219 1 512 . 1 1 45 45 THR HA H 1 4.279 0.04 . 1 . . . A 2994 THR HA . 25219 1 513 . 1 1 45 45 THR HB H 1 4.216 0.04 . 1 . . . A 2994 THR HB . 25219 1 514 . 1 1 45 45 THR C C 13 173.869 0.40 . 1 . . . A 2994 THR C . 25219 1 515 . 1 1 45 45 THR CA C 13 59.237 0.40 . 1 . . . A 2994 THR CA . 25219 1 516 . 1 1 45 45 THR CB C 13 67.047 0.40 . 1 . . . A 2994 THR CB . 25219 1 517 . 1 1 45 45 THR N N 15 115.037 0.40 . 1 . . . A 2994 THR N . 25219 1 518 . 1 1 46 46 ARG H H 1 7.986 0.04 . 1 . . . A 2995 ARG H . 25219 1 519 . 1 1 46 46 ARG HA H 1 4.188 0.04 . 1 . . . A 2995 ARG HA . 25219 1 520 . 1 1 46 46 ARG HB2 H 1 1.852 0.04 . 2 . . . A 2995 ARG HB2 . 25219 1 521 . 1 1 46 46 ARG HB3 H 1 1.852 0.04 . 2 . . . A 2995 ARG HB3 . 25219 1 522 . 1 1 46 46 ARG HG2 H 1 1.543 0.04 . 2 . . . A 2995 ARG HG2 . 25219 1 523 . 1 1 46 46 ARG HG3 H 1 1.543 0.04 . 2 . . . A 2995 ARG HG3 . 25219 1 524 . 1 1 46 46 ARG HD2 H 1 3.175 0.04 . 2 . . . A 2995 ARG HD2 . 25219 1 525 . 1 1 46 46 ARG HD3 H 1 3.175 0.04 . 2 . . . A 2995 ARG HD3 . 25219 1 526 . 1 1 46 46 ARG CA C 13 54.616 0.40 . 1 . . . A 2995 ARG CA . 25219 1 527 . 1 1 46 46 ARG CB C 13 28.916 0.40 . 1 . . . A 2995 ARG CB . 25219 1 528 . 1 1 46 46 ARG CG C 13 24.240 0.40 . 1 . . . A 2995 ARG CG . 25219 1 529 . 1 1 46 46 ARG CD C 13 40.763 0.40 . 1 . . . A 2995 ARG CD . 25219 1 530 . 1 1 46 46 ARG N N 15 128.300 0.40 . 1 . . . A 2995 ARG N . 25219 1 531 . 1 1 47 47 THR HA H 1 4.403 0.04 . 1 . . . A 2996 THR HA . 25219 1 532 . 1 1 47 47 THR HB H 1 4.272 0.04 . 1 . . . A 2996 THR HB . 25219 1 533 . 1 1 47 47 THR HG21 H 1 1.211 0.04 . 1 . . . A 2996 THR HG21 . 25219 1 534 . 1 1 47 47 THR HG22 H 1 1.211 0.04 . 1 . . . A 2996 THR HG22 . 25219 1 535 . 1 1 47 47 THR HG23 H 1 1.211 0.04 . 1 . . . A 2996 THR HG23 . 25219 1 536 . 1 1 47 47 THR C C 13 174.412 0.40 . 1 . . . A 2996 THR C . 25219 1 537 . 1 1 47 47 THR CA C 13 59.022 0.40 . 1 . . . A 2996 THR CA . 25219 1 538 . 1 1 47 47 THR CB C 13 67.166 0.40 . 1 . . . A 2996 THR CB . 25219 1 539 . 1 1 47 47 THR CG2 C 13 18.881 0.40 . 1 . . . A 2996 THR CG2 . 25219 1 540 . 1 1 48 48 ALA H H 1 8.466 0.04 . 1 . . . A 2997 ALA H . 25219 1 541 . 1 1 48 48 ALA N N 15 121.032 0.40 . 1 . . . A 2997 ALA N . 25219 1 542 . 1 1 51 51 THR HA H 1 4.291 0.04 . 1 . . . A 3000 THR HA . 25219 1 543 . 1 1 51 51 THR HB H 1 4.150 0.04 . 1 . . . A 3000 THR HB . 25219 1 544 . 1 1 51 51 THR HG21 H 1 1.201 0.04 . 1 . . . A 3000 THR HG21 . 25219 1 545 . 1 1 51 51 THR HG22 H 1 1.201 0.04 . 1 . . . A 3000 THR HG22 . 25219 1 546 . 1 1 51 51 THR HG23 H 1 1.201 0.04 . 1 . . . A 3000 THR HG23 . 25219 1 547 . 1 1 51 51 THR C C 13 173.968 0.40 . 1 . . . A 3000 THR C . 25219 1 548 . 1 1 51 51 THR CA C 13 58.663 0.40 . 1 . . . A 3000 THR CA . 25219 1 549 . 1 1 51 51 THR CB C 13 67.112 0.40 . 1 . . . A 3000 THR CB . 25219 1 550 . 1 1 51 51 THR CG2 C 13 18.577 0.40 . 1 . . . A 3000 THR CG2 . 25219 1 551 . 1 1 52 52 ASN H H 1 8.375 0.04 . 1 . . . A 3001 ASN H . 25219 1 552 . 1 1 52 52 ASN HA H 1 4.821 0.04 . 1 . . . A 3001 ASN HA . 25219 1 553 . 1 1 52 52 ASN HB2 H 1 2.752 0.04 . 2 . . . A 3001 ASN HB2 . 25219 1 554 . 1 1 52 52 ASN HB3 H 1 2.867 0.04 . 2 . . . A 3001 ASN HB3 . 25219 1 555 . 1 1 52 52 ASN C C 13 174.361 0.40 . 1 . . . A 3001 ASN C . 25219 1 556 . 1 1 52 52 ASN CA C 13 50.746 0.40 . 1 . . . A 3001 ASN CA . 25219 1 557 . 1 1 52 52 ASN CB C 13 36.501 0.40 . 1 . . . A 3001 ASN CB . 25219 1 558 . 1 1 52 52 ASN N N 15 128.217 0.40 . 1 . . . A 3001 ASN N . 25219 1 559 . 1 1 53 53 SER H H 1 7.940 0.04 . 1 . . . A 3002 SER H . 25219 1 560 . 1 1 53 53 SER HA H 1 3.841 0.04 . 1 . . . A 3002 SER HA . 25219 1 561 . 1 1 53 53 SER HB2 H 1 3.906 0.04 . 2 . . . A 3002 SER HB2 . 25219 1 562 . 1 1 53 53 SER HB3 H 1 3.906 0.04 . 2 . . . A 3002 SER HB3 . 25219 1 563 . 1 1 53 53 SER CA C 13 56.629 0.40 . 1 . . . A 3002 SER CA . 25219 1 564 . 1 1 53 53 SER CB C 13 60.033 0.40 . 1 . . . A 3002 SER CB . 25219 1 565 . 1 1 53 53 SER N N 15 121.578 0.40 . 1 . . . A 3002 SER N . 25219 1 stop_ save_