data_16252 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16252 _Entry.Title ; 1H, 13C, 15N Chemical shift assignments of A13 homeodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-10 _Entry.Accession_date 2009-04-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 James Ames . . . 16252 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16252 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 232 16252 '15N chemical shifts' 70 16252 '1H chemical shifts' 486 16252 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 2 . . 2009-11-13 2009-04-10 update BMRB 'complete entry citation' 16252 1 . . 2009-07-10 2009-04-10 original author 'original release' 16252 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L7Z 'BMRB Entry Tracking System' 16252 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16252 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19888690 _Citation.Full_citation . _Citation.Title '(1)H, (15)N, and (13)C chemical shift assignments of mouse HOXA13 DNA binding domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 2 _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 199 _Citation.Page_last 201 _Citation.Year 2009 _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 Yonghong Zhang . . . 16252 1 2 Chelsea Thornburg . K. . 16252 1 3 'H. Scott' Stadler . . . 16252 1 4 James Ames . B. . 16252 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16252 _Assembly.ID 1 _Assembly.Name A13 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 A13 1 $A13 A . yes native no no . . . 16252 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_A13 _Entity.Sf_category entity _Entity.Sf_framecode A13 _Entity.Entry_ID 16252 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name A13 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSHMLEGRKKRVPYTKVQLK ELEREYATNKFITKDKRRRI SATTNLSERQVTIWFQNRRV KEKKVINKLKTTS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 7-73 (G7-S73) correspond to G320-S386 in full-length protein' _Entity.Polymer_author_seq_details 'Residues 1-6 are due to a cloning artifact.' _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 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16577 . Hoxa13_DNA_binding_domain . . . . . 98.63 73 100.00 100.00 4.93e-42 . . . . 16252 1 2 no PDB 2L7Z . "Nmr Structure Of A13 Homedomain" . . . . . 100.00 73 100.00 100.00 3.99e-43 . . . . 16252 1 3 no PDB 2LD5 . "Solution Nmr-Derived Complex Structure Of Hoxa13 Dna Binding Domain Bound To Dna" . . . . . 91.78 67 100.00 100.00 1.53e-37 . . . . 16252 1 4 no EMBL CAC44975 . "homeobox protein, Hoxa13 [Xenopus laevis]" . . . . . 91.78 295 97.01 98.51 4.67e-35 . . . . 16252 1 5 no GB AAA86506 . "Hox-A13, partial [Ambystoma mexicanum]" . . . . . 91.78 107 100.00 100.00 3.57e-37 . . . . 16252 1 6 no GB AAB03322 . "transcription factor HOXA13 [Mus musculus]" . . . . . 91.78 386 100.00 100.00 5.36e-38 . . . . 16252 1 7 no GB AAC50993 . "transcription factor HOXA13 [Homo sapiens]" . . . . . 91.78 388 100.00 100.00 5.52e-38 . . . . 16252 1 8 no GB AAH75791 . "Homeobox A13 [Homo sapiens]" . . . . . 91.78 388 100.00 100.00 5.52e-38 . . . . 16252 1 9 no GB AAI00732 . "Hoxa13 protein [Mus musculus]" . . . . . 91.78 219 100.00 100.00 1.38e-37 . . . . 16252 1 10 no REF NP_000513 . "homeobox protein Hox-A13 [Homo sapiens]" . . . . . 91.78 388 100.00 100.00 5.52e-38 . . . . 16252 1 11 no REF NP_001079321 . "homeobox A13 [Xenopus laevis]" . . . . . 91.78 295 97.01 98.51 4.67e-35 . . . . 16252 1 12 no REF NP_001162372 . "homeobox protein Hox-A13 [Papio anubis]" . . . . . 91.78 206 100.00 100.00 8.23e-38 . . . . 16252 1 13 no REF NP_001182271 . "homeobox protein Hox-A13 [Sus scrofa]" . . . . . 91.78 214 100.00 100.00 2.74e-37 . . . . 16252 1 14 no REF NP_001258284 . "homeo box A13 [Rattus norvegicus]" . . . . . 91.78 386 100.00 100.00 5.36e-38 . . . . 16252 1 15 no SP P31271 . "RecName: Full=Homeobox protein Hox-A13; AltName: Full=Homeobox protein Hox-1J" . . . . . 91.78 388 100.00 100.00 5.52e-38 . . . . 16252 1 16 no SP P50210 . "RecName: Full=Homeobox protein Hox-A13" . . . . . 91.78 107 100.00 100.00 3.57e-37 . . . . 16252 1 17 no SP Q62424 . "RecName: Full=Homeobox protein Hox-A13; AltName: Full=Homeobox protein Hox-1.10" . . . . . 91.78 386 100.00 100.00 5.36e-38 . . . . 16252 1 18 no SP Q90X25 . "RecName: Full=Homeobox protein Hox-A13" . . . . . 91.78 290 100.00 100.00 1.91e-37 . . . . 16252 1 19 no TPG DAA30521 . "TPA: homeobox A13-like [Bos taurus]" . . . . . 91.78 280 100.00 100.00 7.35e-39 . . . . 16252 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 . MET . 16252 1 2 . SER . 16252 1 3 . HIS . 16252 1 4 . MET . 16252 1 5 . LEU . 16252 1 6 . GLU . 16252 1 7 . GLY . 16252 1 8 . ARG . 16252 1 9 . LYS . 16252 1 10 . LYS . 16252 1 11 . ARG . 16252 1 12 . VAL . 16252 1 13 . PRO . 16252 1 14 . TYR . 16252 1 15 . THR . 16252 1 16 . LYS . 16252 1 17 . VAL . 16252 1 18 . GLN . 16252 1 19 . LEU . 16252 1 20 . LYS . 16252 1 21 . GLU . 16252 1 22 . LEU . 16252 1 23 . GLU . 16252 1 24 . ARG . 16252 1 25 . GLU . 16252 1 26 . TYR . 16252 1 27 . ALA . 16252 1 28 . THR . 16252 1 29 . ASN . 16252 1 30 . LYS . 16252 1 31 . PHE . 16252 1 32 . ILE . 16252 1 33 . THR . 16252 1 34 . LYS . 16252 1 35 . ASP . 16252 1 36 . LYS . 16252 1 37 . ARG . 16252 1 38 . ARG . 16252 1 39 . ARG . 16252 1 40 . ILE . 16252 1 41 . SER . 16252 1 42 . ALA . 16252 1 43 . THR . 16252 1 44 . THR . 16252 1 45 . ASN . 16252 1 46 . LEU . 16252 1 47 . SER . 16252 1 48 . GLU . 16252 1 49 . ARG . 16252 1 50 . GLN . 16252 1 51 . VAL . 16252 1 52 . THR . 16252 1 53 . ILE . 16252 1 54 . TRP . 16252 1 55 . PHE . 16252 1 56 . GLN . 16252 1 57 . ASN . 16252 1 58 . ARG . 16252 1 59 . ARG . 16252 1 60 . VAL . 16252 1 61 . LYS . 16252 1 62 . GLU . 16252 1 63 . LYS . 16252 1 64 . LYS . 16252 1 65 . VAL . 16252 1 66 . ILE . 16252 1 67 . ASN . 16252 1 68 . LYS . 16252 1 69 . LEU . 16252 1 70 . LYS . 16252 1 71 . THR . 16252 1 72 . THR . 16252 1 73 . SER . 16252 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 . MET 1 1 16252 1 . SER 2 2 16252 1 . HIS 3 3 16252 1 . MET 4 4 16252 1 . LEU 5 5 16252 1 . GLU 6 6 16252 1 . GLY 7 7 16252 1 . ARG 8 8 16252 1 . LYS 9 9 16252 1 . LYS 10 10 16252 1 . ARG 11 11 16252 1 . VAL 12 12 16252 1 . PRO 13 13 16252 1 . TYR 14 14 16252 1 . THR 15 15 16252 1 . LYS 16 16 16252 1 . VAL 17 17 16252 1 . GLN 18 18 16252 1 . LEU 19 19 16252 1 . LYS 20 20 16252 1 . GLU 21 21 16252 1 . LEU 22 22 16252 1 . GLU 23 23 16252 1 . ARG 24 24 16252 1 . GLU 25 25 16252 1 . TYR 26 26 16252 1 . ALA 27 27 16252 1 . THR 28 28 16252 1 . ASN 29 29 16252 1 . LYS 30 30 16252 1 . PHE 31 31 16252 1 . ILE 32 32 16252 1 . THR 33 33 16252 1 . LYS 34 34 16252 1 . ASP 35 35 16252 1 . LYS 36 36 16252 1 . ARG 37 37 16252 1 . ARG 38 38 16252 1 . ARG 39 39 16252 1 . ILE 40 40 16252 1 . SER 41 41 16252 1 . ALA 42 42 16252 1 . THR 43 43 16252 1 . THR 44 44 16252 1 . ASN 45 45 16252 1 . LEU 46 46 16252 1 . SER 47 47 16252 1 . GLU 48 48 16252 1 . ARG 49 49 16252 1 . GLN 50 50 16252 1 . VAL 51 51 16252 1 . THR 52 52 16252 1 . ILE 53 53 16252 1 . TRP 54 54 16252 1 . PHE 55 55 16252 1 . GLN 56 56 16252 1 . ASN 57 57 16252 1 . ARG 58 58 16252 1 . ARG 59 59 16252 1 . VAL 60 60 16252 1 . LYS 61 61 16252 1 . GLU 62 62 16252 1 . LYS 63 63 16252 1 . LYS 64 64 16252 1 . VAL 65 65 16252 1 . ILE 66 66 16252 1 . ASN 67 67 16252 1 . LYS 68 68 16252 1 . LEU 69 69 16252 1 . LYS 70 70 16252 1 . THR 71 71 16252 1 . THR 72 72 16252 1 . SER 73 73 16252 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 16252 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $A13 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16252 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 16252 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $A13 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET23 . . . . . . 16252 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16252 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 A13 '[U-98% 13C; U-98% 15N]' . . 1 $A13 . . 0.5 . . mM . . . . 16252 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16252 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16252 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 16252 _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' 0.02 . M 16252 1 pH 7.0 . pH 16252 1 pressure 1.0 . atm 16252 1 temperature 285 . K 16252 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16252 _Software.ID 1 _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' . . 16252 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16252 1 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 16252 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16252 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16252 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 16252 _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 . . . . . . . . . . . . . . . . 16252 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16252 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16252 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16252 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16252 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 16252 _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 . indirect 0.251449530 . . . . . . . . . 16252 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16252 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16252 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 16252 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16252 1 2 '3D HNCO' . . . 16252 1 3 '3D HNCACB' . . . 16252 1 5 '3D CBCA(CO)NH' . . . 16252 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.360 0.04 . 1 . . . . 2 SER HA . 16252 1 2 . 1 1 2 2 SER HB2 H 1 3.736 0.04 . 2 . . . . 2 SER HB2 . 16252 1 3 . 1 1 2 2 SER HB3 H 1 3.695 0.04 . 2 . . . . 2 SER HB3 . 16252 1 4 . 1 1 2 2 SER C C 13 174.407 0.1 . 1 . . . . 2 SER C . 16252 1 5 . 1 1 2 2 SER CA C 13 58.055 0.1 . 1 . . . . 2 SER CA . 16252 1 6 . 1 1 2 2 SER CB C 13 63.647 0.1 . 1 . . . . 2 SER CB . 16252 1 7 . 1 1 3 3 HIS H H 1 8.616 0.04 . 1 . . . . 3 HIS H . 16252 1 8 . 1 1 3 3 HIS HA H 1 4.508 0.04 . 1 . . . . 3 HIS HA . 16252 1 9 . 1 1 3 3 HIS HB2 H 1 2.994 0.04 . 2 . . . . 3 HIS HB2 . 16252 1 10 . 1 1 3 3 HIS HB3 H 1 2.994 0.04 . 2 . . . . 3 HIS HB3 . 16252 1 11 . 1 1 3 3 HIS HD2 H 1 6.953 0.04 . 1 . . . . 3 HIS HD2 . 16252 1 12 . 1 1 3 3 HIS HE1 H 1 7.865 0.04 . 1 . . . . 3 HIS HE1 . 16252 1 13 . 1 1 3 3 HIS C C 13 175.288 0.1 . 1 . . . . 3 HIS C . 16252 1 14 . 1 1 3 3 HIS CA C 13 56.416 0.1 . 1 . . . . 3 HIS CA . 16252 1 15 . 1 1 3 3 HIS CB C 13 30.139 0.1 . 1 . . . . 3 HIS CB . 16252 1 16 . 1 1 3 3 HIS N N 15 122.435 0.1 . 1 . . . . 3 HIS N . 16252 1 17 . 1 1 4 4 MET H H 1 8.356 0.04 . 1 . . . . 4 MET H . 16252 1 18 . 1 1 4 4 MET HA H 1 4.295 0.04 . 1 . . . . 4 MET HA . 16252 1 19 . 1 1 4 4 MET HB2 H 1 1.929 0.04 . 2 . . . . 4 MET HB2 . 16252 1 20 . 1 1 4 4 MET HB3 H 1 1.841 0.04 . 2 . . . . 4 MET HB3 . 16252 1 21 . 1 1 4 4 MET HE1 H 1 1.960 0.04 . 1 . . . . 4 MET HE1 . 16252 1 22 . 1 1 4 4 MET HE2 H 1 1.960 0.04 . 1 . . . . 4 MET HE2 . 16252 1 23 . 1 1 4 4 MET HE3 H 1 1.960 0.04 . 1 . . . . 4 MET HE3 . 16252 1 24 . 1 1 4 4 MET HG2 H 1 2.369 0.04 . 2 . . . . 4 MET HG2 . 16252 1 25 . 1 1 4 4 MET HG3 H 1 2.324 0.04 . 2 . . . . 4 MET HG3 . 16252 1 26 . 1 1 4 4 MET C C 13 176.157 0.1 . 1 . . . . 4 MET C . 16252 1 27 . 1 1 4 4 MET CA C 13 55.703 0.1 . 1 . . . . 4 MET CA . 16252 1 28 . 1 1 4 4 MET CB C 13 32.515 0.1 . 1 . . . . 4 MET CB . 16252 1 29 . 1 1 4 4 MET CE C 13 16.707 0.1 . 1 . . . . 4 MET CE . 16252 1 30 . 1 1 4 4 MET CG C 13 32.619 0.1 . 1 . . . . 4 MET CG . 16252 1 31 . 1 1 4 4 MET N N 15 122.128 0.1 . 1 . . . . 4 MET N . 16252 1 32 . 1 1 5 5 LEU H H 1 8.283 0.04 . 1 . . . . 5 LEU H . 16252 1 33 . 1 1 5 5 LEU HA H 1 4.219 0.04 . 1 . . . . 5 LEU HA . 16252 1 34 . 1 1 5 5 LEU HB2 H 1 1.526 0.04 . 2 . . . . 5 LEU HB2 . 16252 1 35 . 1 1 5 5 LEU HB3 H 1 1.526 0.04 . 2 . . . . 5 LEU HB3 . 16252 1 36 . 1 1 5 5 LEU HD11 H 1 0.820 0.04 . 1 . . . . 5 LEU HD11 . 16252 1 37 . 1 1 5 5 LEU HD12 H 1 0.820 0.04 . 1 . . . . 5 LEU HD12 . 16252 1 38 . 1 1 5 5 LEU HD13 H 1 0.820 0.04 . 1 . . . . 5 LEU HD13 . 16252 1 39 . 1 1 5 5 LEU HD21 H 1 0.760 0.04 . 1 . . . . 5 LEU HD21 . 16252 1 40 . 1 1 5 5 LEU HD22 H 1 0.760 0.04 . 1 . . . . 5 LEU HD22 . 16252 1 41 . 1 1 5 5 LEU HD23 H 1 0.760 0.04 . 1 . . . . 5 LEU HD23 . 16252 1 42 . 1 1 5 5 LEU HG H 1 1.476 0.04 . 1 . . . . 5 LEU HG . 16252 1 43 . 1 1 5 5 LEU C C 13 177.444 0.1 . 1 . . . . 5 LEU C . 16252 1 44 . 1 1 5 5 LEU CA C 13 55.103 0.1 . 1 . . . . 5 LEU CA . 16252 1 45 . 1 1 5 5 LEU CB C 13 42.063 0.1 . 1 . . . . 5 LEU CB . 16252 1 46 . 1 1 5 5 LEU N N 15 123.187 0.1 . 1 . . . . 5 LEU N . 16252 1 47 . 1 1 6 6 GLU H H 1 8.400 0.04 . 1 . . . . 6 GLU H . 16252 1 48 . 1 1 6 6 GLU HA H 1 4.123 0.04 . 1 . . . . 6 GLU HA . 16252 1 49 . 1 1 6 6 GLU HB2 H 1 1.900 0.04 . 2 . . . . 6 GLU HB2 . 16252 1 50 . 1 1 6 6 GLU HB3 H 1 1.900 0.04 . 2 . . . . 6 GLU HB3 . 16252 1 51 . 1 1 6 6 GLU HG2 H 1 2.172 0.04 . 2 . . . . 6 GLU HG2 . 16252 1 52 . 1 1 6 6 GLU HG3 H 1 2.172 0.04 . 2 . . . . 6 GLU HG3 . 16252 1 53 . 1 1 6 6 GLU C C 13 177.022 0.1 . 1 . . . . 6 GLU C . 16252 1 54 . 1 1 6 6 GLU CA C 13 56.736 0.1 . 1 . . . . 6 GLU CA . 16252 1 55 . 1 1 6 6 GLU CB C 13 30.079 0.1 . 1 . . . . 6 GLU CB . 16252 1 56 . 1 1 6 6 GLU CG C 13 36.780 0.1 . 1 . . . . 6 GLU CG . 16252 1 57 . 1 1 6 6 GLU N N 15 122.250 0.1 . 1 . . . . 6 GLU N . 16252 1 58 . 1 1 7 7 GLY H H 1 8.450 0.04 . 1 . . . . 7 GLY H . 16252 1 59 . 1 1 7 7 GLY HA2 H 1 3.828 0.04 . 2 . . . . 7 GLY HA2 . 16252 1 60 . 1 1 7 7 GLY HA3 H 1 3.828 0.04 . 2 . . . . 7 GLY HA3 . 16252 1 61 . 1 1 7 7 GLY C C 13 174.158 0.1 . 1 . . . . 7 GLY C . 16252 1 62 . 1 1 7 7 GLY CA C 13 45.165 0.1 . 1 . . . . 7 GLY CA . 16252 1 63 . 1 1 7 7 GLY N N 15 110.282 0.1 . 1 . . . . 7 GLY N . 16252 1 64 . 1 1 8 8 ARG H H 1 8.169 0.04 . 1 . . . . 8 ARG H . 16252 1 65 . 1 1 8 8 ARG HA H 1 4.170 0.04 . 1 . . . . 8 ARG HA . 16252 1 66 . 1 1 8 8 ARG HB2 H 1 1.588 0.04 . 2 . . . . 8 ARG HB2 . 16252 1 67 . 1 1 8 8 ARG HB3 H 1 1.588 0.04 . 2 . . . . 8 ARG HB3 . 16252 1 68 . 1 1 8 8 ARG C C 13 176.031 0.1 . 1 . . . . 8 ARG C . 16252 1 69 . 1 1 8 8 ARG CA C 13 56.045 0.1 . 1 . . . . 8 ARG CA . 16252 1 70 . 1 1 8 8 ARG CB C 13 30.699 0.1 . 1 . . . . 8 ARG CB . 16252 1 71 . 1 1 8 8 ARG N N 15 120.984 0.1 . 1 . . . . 8 ARG N . 16252 1 72 . 1 1 9 9 LYS H H 1 8.354 0.04 . 1 . . . . 9 LYS H . 16252 1 73 . 1 1 9 9 LYS HA H 1 4.692 0.04 . 1 . . . . 9 LYS HA . 16252 1 74 . 1 1 9 9 LYS HB2 H 1 1.890 0.04 . 2 . . . . 9 LYS HB2 . 16252 1 75 . 1 1 9 9 LYS HB3 H 1 1.890 0.04 . 2 . . . . 9 LYS HB3 . 16252 1 76 . 1 1 9 9 LYS CA C 13 56.177 0.1 . 1 . . . . 9 LYS CA . 16252 1 77 . 1 1 9 9 LYS CB C 13 33.000 0.1 . 1 . . . . 9 LYS CB . 16252 1 78 . 1 1 9 9 LYS N N 15 123.002 0.1 . 1 . . . . 9 LYS N . 16252 1 79 . 1 1 10 10 LYS H H 1 8.480 0.04 . 1 . . . . 10 LYS H . 16252 1 80 . 1 1 10 10 LYS HA H 1 4.166 0.04 . 1 . . . . 10 LYS HA . 16252 1 81 . 1 1 10 10 LYS HB2 H 1 1.624 0.04 . 2 . . . . 10 LYS HB2 . 16252 1 82 . 1 1 10 10 LYS HB3 H 1 1.624 0.04 . 2 . . . . 10 LYS HB3 . 16252 1 83 . 1 1 10 10 LYS C C 13 176.397 0.1 . 1 . . . . 10 LYS C . 16252 1 84 . 1 1 10 10 LYS CA C 13 55.997 0.1 . 1 . . . . 10 LYS CA . 16252 1 85 . 1 1 10 10 LYS CB C 13 30.728 0.1 . 1 . . . . 10 LYS CB . 16252 1 86 . 1 1 10 10 LYS N N 15 124.221 0.1 . 1 . . . . 10 LYS N . 16252 1 87 . 1 1 11 11 ARG H H 1 8.325 0.04 . 1 . . . . 11 ARG H . 16252 1 88 . 1 1 11 11 ARG CA C 13 56.179 0.1 . 1 . . . . 11 ARG CA . 16252 1 89 . 1 1 11 11 ARG CB C 13 33.032 0.1 . 1 . . . . 11 ARG CB . 16252 1 90 . 1 1 11 11 ARG N N 15 123.627 0.1 . 1 . . . . 11 ARG N . 16252 1 91 . 1 1 13 13 PRO HA H 1 4.226 0.04 . 1 . . . . 13 PRO HA . 16252 1 92 . 1 1 13 13 PRO HB2 H 1 1.611 0.04 . 2 . . . . 13 PRO HB2 . 16252 1 93 . 1 1 13 13 PRO HB3 H 1 2.003 0.04 . 2 . . . . 13 PRO HB3 . 16252 1 94 . 1 1 13 13 PRO C C 13 176.714 0.1 . 1 . . . . 13 PRO C . 16252 1 95 . 1 1 13 13 PRO CA C 13 62.969 0.1 . 1 . . . . 13 PRO CA . 16252 1 96 . 1 1 13 13 PRO CB C 13 31.562 0.1 . 1 . . . . 13 PRO CB . 16252 1 97 . 1 1 14 14 TYR H H 1 7.727 0.04 . 1 . . . . 14 TYR H . 16252 1 98 . 1 1 14 14 TYR HA H 1 4.788 0.04 . 1 . . . . 14 TYR HA . 16252 1 99 . 1 1 14 14 TYR HB2 H 1 2.975 0.04 . 2 . . . . 14 TYR HB2 . 16252 1 100 . 1 1 14 14 TYR HB3 H 1 2.597 0.04 . 2 . . . . 14 TYR HB3 . 16252 1 101 . 1 1 14 14 TYR HD1 H 1 6.970 0.04 . 3 . . . . 14 TYR HD1 . 16252 1 102 . 1 1 14 14 TYR HD2 H 1 6.970 0.04 . 3 . . . . 14 TYR HD2 . 16252 1 103 . 1 1 14 14 TYR HE1 H 1 6.785 0.04 . 3 . . . . 14 TYR HE1 . 16252 1 104 . 1 1 14 14 TYR HE2 H 1 6.785 0.04 . 3 . . . . 14 TYR HE2 . 16252 1 105 . 1 1 14 14 TYR C C 13 176.341 0.1 . 1 . . . . 14 TYR C . 16252 1 106 . 1 1 14 14 TYR CA C 13 56.504 0.1 . 1 . . . . 14 TYR CA . 16252 1 107 . 1 1 14 14 TYR CB C 13 39.337 0.1 . 1 . . . . 14 TYR CB . 16252 1 108 . 1 1 14 14 TYR N N 15 119.535 0.1 . 1 . . . . 14 TYR N . 16252 1 109 . 1 1 15 15 THR H H 1 8.989 0.04 . 1 . . . . 15 THR H . 16252 1 110 . 1 1 15 15 THR HA H 1 4.346 0.04 . 1 . . . . 15 THR HA . 16252 1 111 . 1 1 15 15 THR HB H 1 4.676 0.04 . 1 . . . . 15 THR HB . 16252 1 112 . 1 1 15 15 THR HG21 H 1 1.208 0.04 . 1 . . . . 15 THR HG21 . 16252 1 113 . 1 1 15 15 THR HG22 H 1 1.208 0.04 . 1 . . . . 15 THR HG22 . 16252 1 114 . 1 1 15 15 THR HG23 H 1 1.208 0.04 . 1 . . . . 15 THR HG23 . 16252 1 115 . 1 1 15 15 THR C C 13 175.069 0.1 . 1 . . . . 15 THR C . 16252 1 116 . 1 1 15 15 THR CA C 13 60.261 0.1 . 1 . . . . 15 THR CA . 16252 1 117 . 1 1 15 15 THR CB C 13 70.634 0.1 . 1 . . . . 15 THR CB . 16252 1 118 . 1 1 15 15 THR N N 15 113.980 0.1 . 1 . . . . 15 THR N . 16252 1 119 . 1 1 16 16 LYS H H 1 8.890 0.04 . 1 . . . . 16 LYS H . 16252 1 120 . 1 1 16 16 LYS HA H 1 3.900 0.04 . 1 . . . . 16 LYS HA . 16252 1 121 . 1 1 16 16 LYS HB2 H 1 1.842 0.04 . 2 . . . . 16 LYS HB2 . 16252 1 122 . 1 1 16 16 LYS HB3 H 1 1.755 0.04 . 2 . . . . 16 LYS HB3 . 16252 1 123 . 1 1 16 16 LYS HD2 H 1 1.629 0.04 . 2 . . . . 16 LYS HD2 . 16252 1 124 . 1 1 16 16 LYS HD3 H 1 1.629 0.04 . 2 . . . . 16 LYS HD3 . 16252 1 125 . 1 1 16 16 LYS HE2 H 1 2.897 0.04 . 2 . . . . 16 LYS HE2 . 16252 1 126 . 1 1 16 16 LYS HE3 H 1 2.897 0.04 . 2 . . . . 16 LYS HE3 . 16252 1 127 . 1 1 16 16 LYS HG2 H 1 1.551 0.04 . 2 . . . . 16 LYS HG2 . 16252 1 128 . 1 1 16 16 LYS HG3 H 1 1.374 0.04 . 2 . . . . 16 LYS HG3 . 16252 1 129 . 1 1 16 16 LYS C C 13 179.606 0.1 . 1 . . . . 16 LYS C . 16252 1 130 . 1 1 16 16 LYS CA C 13 60.060 0.1 . 1 . . . . 16 LYS CA . 16252 1 131 . 1 1 16 16 LYS CB C 13 32.037 0.1 . 1 . . . . 16 LYS CB . 16252 1 132 . 1 1 16 16 LYS N N 15 121.010 0.1 . 1 . . . . 16 LYS N . 16252 1 133 . 1 1 17 17 VAL H H 1 7.842 0.04 . 1 . . . . 17 VAL H . 16252 1 134 . 1 1 17 17 VAL HA H 1 3.659 0.04 . 1 . . . . 17 VAL HA . 16252 1 135 . 1 1 17 17 VAL HB H 1 1.878 0.04 . 1 . . . . 17 VAL HB . 16252 1 136 . 1 1 17 17 VAL HG11 H 1 0.953 0.04 . 2 . . . . 17 VAL HG11 . 16252 1 137 . 1 1 17 17 VAL HG12 H 1 0.953 0.04 . 2 . . . . 17 VAL HG12 . 16252 1 138 . 1 1 17 17 VAL HG13 H 1 0.953 0.04 . 2 . . . . 17 VAL HG13 . 16252 1 139 . 1 1 17 17 VAL HG21 H 1 0.876 0.04 . 2 . . . . 17 VAL HG21 . 16252 1 140 . 1 1 17 17 VAL HG22 H 1 0.876 0.04 . 2 . . . . 17 VAL HG22 . 16252 1 141 . 1 1 17 17 VAL HG23 H 1 0.876 0.04 . 2 . . . . 17 VAL HG23 . 16252 1 142 . 1 1 17 17 VAL C C 13 178.808 0.1 . 1 . . . . 17 VAL C . 16252 1 143 . 1 1 17 17 VAL CA C 13 65.599 0.1 . 1 . . . . 17 VAL CA . 16252 1 144 . 1 1 17 17 VAL CB C 13 32.074 0.1 . 1 . . . . 17 VAL CB . 16252 1 145 . 1 1 17 17 VAL N N 15 117.745 0.1 . 1 . . . . 17 VAL N . 16252 1 146 . 1 1 18 18 GLN H H 1 7.479 0.04 . 1 . . . . 18 GLN H . 16252 1 147 . 1 1 18 18 GLN HA H 1 3.687 0.04 . 1 . . . . 18 GLN HA . 16252 1 148 . 1 1 18 18 GLN HB2 H 1 2.503 0.04 . 2 . . . . 18 GLN HB2 . 16252 1 149 . 1 1 18 18 GLN HB3 H 1 1.403 0.04 . 2 . . . . 18 GLN HB3 . 16252 1 150 . 1 1 18 18 GLN HG2 H 1 2.411 0.04 . 2 . . . . 18 GLN HG2 . 16252 1 151 . 1 1 18 18 GLN HG3 H 1 2.341 0.04 . 2 . . . . 18 GLN HG3 . 16252 1 152 . 1 1 18 18 GLN C C 13 177.412 0.1 . 1 . . . . 18 GLN C . 16252 1 153 . 1 1 18 18 GLN CA C 13 59.331 0.1 . 1 . . . . 18 GLN CA . 16252 1 154 . 1 1 18 18 GLN CB C 13 27.749 0.1 . 1 . . . . 18 GLN CB . 16252 1 155 . 1 1 18 18 GLN N N 15 121.421 0.1 . 1 . . . . 18 GLN N . 16252 1 156 . 1 1 19 19 LEU H H 1 8.371 0.04 . 1 . . . . 19 LEU H . 16252 1 157 . 1 1 19 19 LEU HA H 1 3.530 0.04 . 1 . . . . 19 LEU HA . 16252 1 158 . 1 1 19 19 LEU HB2 H 1 1.628 0.04 . 2 . . . . 19 LEU HB2 . 16252 1 159 . 1 1 19 19 LEU HB3 H 1 1.500 0.04 . 2 . . . . 19 LEU HB3 . 16252 1 160 . 1 1 19 19 LEU HD11 H 1 0.778 0.04 . 2 . . . . 19 LEU HD11 . 16252 1 161 . 1 1 19 19 LEU HD12 H 1 0.778 0.04 . 2 . . . . 19 LEU HD12 . 16252 1 162 . 1 1 19 19 LEU HD13 H 1 0.778 0.04 . 2 . . . . 19 LEU HD13 . 16252 1 163 . 1 1 19 19 LEU HD21 H 1 0.734 0.04 . 2 . . . . 19 LEU HD21 . 16252 1 164 . 1 1 19 19 LEU HD22 H 1 0.734 0.04 . 2 . . . . 19 LEU HD22 . 16252 1 165 . 1 1 19 19 LEU HD23 H 1 0.734 0.04 . 2 . . . . 19 LEU HD23 . 16252 1 166 . 1 1 19 19 LEU HG H 1 1.421 0.04 . 1 . . . . 19 LEU HG . 16252 1 167 . 1 1 19 19 LEU C C 13 178.217 0.1 . 1 . . . . 19 LEU C . 16252 1 168 . 1 1 19 19 LEU CA C 13 57.556 0.1 . 1 . . . . 19 LEU CA . 16252 1 169 . 1 1 19 19 LEU CB C 13 41.506 0.1 . 1 . . . . 19 LEU CB . 16252 1 170 . 1 1 19 19 LEU CD2 C 13 23.121 0.1 . 2 . . . . 19 LEU CD2 . 16252 1 171 . 1 1 19 19 LEU N N 15 117.477 0.1 . 1 . . . . 19 LEU N . 16252 1 172 . 1 1 20 20 LYS H H 1 7.894 0.04 . 1 . . . . 20 LYS H . 16252 1 173 . 1 1 20 20 LYS HA H 1 3.806 0.04 . 1 . . . . 20 LYS HA . 16252 1 174 . 1 1 20 20 LYS HB2 H 1 1.787 0.04 . 2 . . . . 20 LYS HB2 . 16252 1 175 . 1 1 20 20 LYS HB3 H 1 1.787 0.04 . 2 . . . . 20 LYS HB3 . 16252 1 176 . 1 1 20 20 LYS HD2 H 1 1.571 0.04 . 2 . . . . 20 LYS HD2 . 16252 1 177 . 1 1 20 20 LYS HD3 H 1 1.571 0.04 . 2 . . . . 20 LYS HD3 . 16252 1 178 . 1 1 20 20 LYS HE2 H 1 2.845 0.04 . 2 . . . . 20 LYS HE2 . 16252 1 179 . 1 1 20 20 LYS HE3 H 1 2.845 0.04 . 2 . . . . 20 LYS HE3 . 16252 1 180 . 1 1 20 20 LYS HG2 H 1 1.412 0.04 . 2 . . . . 20 LYS HG2 . 16252 1 181 . 1 1 20 20 LYS HG3 H 1 1.287 0.04 . 2 . . . . 20 LYS HG3 . 16252 1 182 . 1 1 20 20 LYS C C 13 179.301 0.1 . 1 . . . . 20 LYS C . 16252 1 183 . 1 1 20 20 LYS CA C 13 59.436 0.1 . 1 . . . . 20 LYS CA . 16252 1 184 . 1 1 20 20 LYS CB C 13 32.364 0.1 . 1 . . . . 20 LYS CB . 16252 1 185 . 1 1 20 20 LYS N N 15 118.297 0.1 . 1 . . . . 20 LYS N . 16252 1 186 . 1 1 21 21 GLU H H 1 7.080 0.04 . 1 . . . . 21 GLU H . 16252 1 187 . 1 1 21 21 GLU HA H 1 4.160 0.04 . 1 . . . . 21 GLU HA . 16252 1 188 . 1 1 21 21 GLU HB2 H 1 2.458 0.04 . 2 . . . . 21 GLU HB2 . 16252 1 189 . 1 1 21 21 GLU HB3 H 1 1.760 0.04 . 2 . . . . 21 GLU HB3 . 16252 1 190 . 1 1 21 21 GLU C C 13 178.137 0.1 . 1 . . . . 21 GLU C . 16252 1 191 . 1 1 21 21 GLU CA C 13 58.086 0.1 . 1 . . . . 21 GLU CA . 16252 1 192 . 1 1 21 21 GLU CB C 13 29.118 0.1 . 1 . . . . 21 GLU CB . 16252 1 193 . 1 1 21 21 GLU N N 15 119.624 0.1 . 1 . . . . 21 GLU N . 16252 1 194 . 1 1 22 22 LEU H H 1 7.844 0.04 . 1 . . . . 22 LEU H . 16252 1 195 . 1 1 22 22 LEU HA H 1 3.335 0.04 . 1 . . . . 22 LEU HA . 16252 1 196 . 1 1 22 22 LEU HB2 H 1 0.412 0.04 . 2 . . . . 22 LEU HB2 . 16252 1 197 . 1 1 22 22 LEU HB3 H 1 -1.288 0.04 . 2 . . . . 22 LEU HB3 . 16252 1 198 . 1 1 22 22 LEU HD11 H 1 -0.695 0.04 . 2 . . . . 22 LEU HD11 . 16252 1 199 . 1 1 22 22 LEU HD12 H 1 -0.695 0.04 . 2 . . . . 22 LEU HD12 . 16252 1 200 . 1 1 22 22 LEU HD13 H 1 -0.695 0.04 . 2 . . . . 22 LEU HD13 . 16252 1 201 . 1 1 22 22 LEU HD21 H 1 0.387 0.04 . 2 . . . . 22 LEU HD21 . 16252 1 202 . 1 1 22 22 LEU HD22 H 1 0.387 0.04 . 2 . . . . 22 LEU HD22 . 16252 1 203 . 1 1 22 22 LEU HD23 H 1 0.387 0.04 . 2 . . . . 22 LEU HD23 . 16252 1 204 . 1 1 22 22 LEU HG H 1 1.082 0.04 . 1 . . . . 22 LEU HG . 16252 1 205 . 1 1 22 22 LEU C C 13 177.984 0.1 . 1 . . . . 22 LEU C . 16252 1 206 . 1 1 22 22 LEU CA C 13 58.209 0.1 . 1 . . . . 22 LEU CA . 16252 1 207 . 1 1 22 22 LEU CB C 13 37.936 0.1 . 1 . . . . 22 LEU CB . 16252 1 208 . 1 1 22 22 LEU CD1 C 13 22.989 0.1 . 2 . . . . 22 LEU CD1 . 16252 1 209 . 1 1 22 22 LEU CD2 C 13 22.416 0.1 . 2 . . . . 22 LEU CD2 . 16252 1 210 . 1 1 22 22 LEU CG C 13 25.871 0.1 . 1 . . . . 22 LEU CG . 16252 1 211 . 1 1 22 22 LEU N N 15 121.358 0.1 . 1 . . . . 22 LEU N . 16252 1 212 . 1 1 23 23 GLU H H 1 8.227 0.04 . 1 . . . . 23 GLU H . 16252 1 213 . 1 1 23 23 GLU HA H 1 4.029 0.04 . 1 . . . . 23 GLU HA . 16252 1 214 . 1 1 23 23 GLU HB2 H 1 1.907 0.04 . 2 . . . . 23 GLU HB2 . 16252 1 215 . 1 1 23 23 GLU HB3 H 1 1.907 0.04 . 2 . . . . 23 GLU HB3 . 16252 1 216 . 1 1 23 23 GLU C C 13 179.927 0.1 . 1 . . . . 23 GLU C . 16252 1 217 . 1 1 23 23 GLU CA C 13 58.858 0.1 . 1 . . . . 23 GLU CA . 16252 1 218 . 1 1 23 23 GLU CB C 13 28.741 0.1 . 1 . . . . 23 GLU CB . 16252 1 219 . 1 1 23 23 GLU N N 15 116.166 0.1 . 1 . . . . 23 GLU N . 16252 1 220 . 1 1 24 24 ARG H H 1 7.783 0.04 . 1 . . . . 24 ARG H . 16252 1 221 . 1 1 24 24 ARG HA H 1 3.972 0.04 . 1 . . . . 24 ARG HA . 16252 1 222 . 1 1 24 24 ARG HB2 H 1 1.943 0.04 . 2 . . . . 24 ARG HB2 . 16252 1 223 . 1 1 24 24 ARG HB3 H 1 1.843 0.04 . 2 . . . . 24 ARG HB3 . 16252 1 224 . 1 1 24 24 ARG HD2 H 1 3.208 0.04 . 2 . . . . 24 ARG HD2 . 16252 1 225 . 1 1 24 24 ARG HD3 H 1 2.972 0.04 . 2 . . . . 24 ARG HD3 . 16252 1 226 . 1 1 24 24 ARG HG2 H 1 1.559 0.04 . 2 . . . . 24 ARG HG2 . 16252 1 227 . 1 1 24 24 ARG HG3 H 1 1.448 0.04 . 2 . . . . 24 ARG HG3 . 16252 1 228 . 1 1 24 24 ARG C C 13 179.622 0.1 . 1 . . . . 24 ARG C . 16252 1 229 . 1 1 24 24 ARG CA C 13 59.371 0.1 . 1 . . . . 24 ARG CA . 16252 1 230 . 1 1 24 24 ARG CB C 13 29.521 0.1 . 1 . . . . 24 ARG CB . 16252 1 231 . 1 1 24 24 ARG N N 15 122.207 0.1 . 1 . . . . 24 ARG N . 16252 1 232 . 1 1 25 25 GLU H H 1 7.975 0.04 . 1 . . . . 25 GLU H . 16252 1 233 . 1 1 25 25 GLU HA H 1 4.207 0.04 . 1 . . . . 25 GLU HA . 16252 1 234 . 1 1 25 25 GLU HB2 H 1 2.174 0.04 . 2 . . . . 25 GLU HB2 . 16252 1 235 . 1 1 25 25 GLU HB3 H 1 2.174 0.04 . 2 . . . . 25 GLU HB3 . 16252 1 236 . 1 1 25 25 GLU HG2 H 1 2.335 0.04 . 2 . . . . 25 GLU HG2 . 16252 1 237 . 1 1 25 25 GLU HG3 H 1 2.335 0.04 . 2 . . . . 25 GLU HG3 . 16252 1 238 . 1 1 25 25 GLU C C 13 179.114 0.1 . 1 . . . . 25 GLU C . 16252 1 239 . 1 1 25 25 GLU CA C 13 58.907 0.1 . 1 . . . . 25 GLU CA . 16252 1 240 . 1 1 25 25 GLU CB C 13 29.321 0.1 . 1 . . . . 25 GLU CB . 16252 1 241 . 1 1 25 25 GLU N N 15 119.791 0.1 . 1 . . . . 25 GLU N . 16252 1 242 . 1 1 26 26 TYR H H 1 8.972 0.04 . 1 . . . . 26 TYR H . 16252 1 243 . 1 1 26 26 TYR HA H 1 4.301 0.04 . 1 . . . . 26 TYR HA . 16252 1 244 . 1 1 26 26 TYR HB2 H 1 3.764 0.04 . 2 . . . . 26 TYR HB2 . 16252 1 245 . 1 1 26 26 TYR HB3 H 1 3.764 0.04 . 2 . . . . 26 TYR HB3 . 16252 1 246 . 1 1 26 26 TYR HD1 H 1 6.823 0.04 . 3 . . . . 26 TYR HD1 . 16252 1 247 . 1 1 26 26 TYR HD2 H 1 6.823 0.04 . 3 . . . . 26 TYR HD2 . 16252 1 248 . 1 1 26 26 TYR HE1 H 1 6.533 0.04 . 3 . . . . 26 TYR HE1 . 16252 1 249 . 1 1 26 26 TYR HE2 H 1 6.533 0.04 . 3 . . . . 26 TYR HE2 . 16252 1 250 . 1 1 26 26 TYR C C 13 176.086 0.1 . 1 . . . . 26 TYR C . 16252 1 251 . 1 1 26 26 TYR CA C 13 61.416 0.1 . 1 . . . . 26 TYR CA . 16252 1 252 . 1 1 26 26 TYR CB C 13 38.437 0.1 . 1 . . . . 26 TYR CB . 16252 1 253 . 1 1 26 26 TYR N N 15 123.808 0.1 . 1 . . . . 26 TYR N . 16252 1 254 . 1 1 27 27 ALA H H 1 7.760 0.04 . 1 . . . . 27 ALA H . 16252 1 255 . 1 1 27 27 ALA HA H 1 3.966 0.04 . 1 . . . . 27 ALA HA . 16252 1 256 . 1 1 27 27 ALA HB1 H 1 1.446 0.04 . 1 . . . . 27 ALA HB1 . 16252 1 257 . 1 1 27 27 ALA HB2 H 1 1.446 0.04 . 1 . . . . 27 ALA HB2 . 16252 1 258 . 1 1 27 27 ALA HB3 H 1 1.446 0.04 . 1 . . . . 27 ALA HB3 . 16252 1 259 . 1 1 27 27 ALA C C 13 179.330 0.1 . 1 . . . . 27 ALA C . 16252 1 260 . 1 1 27 27 ALA CA C 13 53.815 0.1 . 1 . . . . 27 ALA CA . 16252 1 261 . 1 1 27 27 ALA CB C 13 17.989 0.1 . 1 . . . . 27 ALA CB . 16252 1 262 . 1 1 27 27 ALA N N 15 117.092 0.1 . 1 . . . . 27 ALA N . 16252 1 263 . 1 1 28 28 THR H H 1 7.477 0.04 . 1 . . . . 28 THR H . 16252 1 264 . 1 1 28 28 THR HA H 1 4.073 0.04 . 1 . . . . 28 THR HA . 16252 1 265 . 1 1 28 28 THR HB H 1 4.314 0.04 . 1 . . . . 28 THR HB . 16252 1 266 . 1 1 28 28 THR HG21 H 1 1.187 0.04 . 1 . . . . 28 THR HG21 . 16252 1 267 . 1 1 28 28 THR HG22 H 1 1.187 0.04 . 1 . . . . 28 THR HG22 . 16252 1 268 . 1 1 28 28 THR HG23 H 1 1.187 0.04 . 1 . . . . 28 THR HG23 . 16252 1 269 . 1 1 28 28 THR C C 13 174.486 0.1 . 1 . . . . 28 THR C . 16252 1 270 . 1 1 28 28 THR CA C 13 64.536 0.1 . 1 . . . . 28 THR CA . 16252 1 271 . 1 1 28 28 THR CB C 13 69.101 0.1 . 1 . . . . 28 THR CB . 16252 1 272 . 1 1 28 28 THR N N 15 113.139 0.1 . 1 . . . . 28 THR N . 16252 1 273 . 1 1 29 29 ASN H H 1 8.057 0.04 . 1 . . . . 29 ASN H . 16252 1 274 . 1 1 29 29 ASN HA H 1 4.517 0.04 . 1 . . . . 29 ASN HA . 16252 1 275 . 1 1 29 29 ASN HB2 H 1 2.785 0.04 . 2 . . . . 29 ASN HB2 . 16252 1 276 . 1 1 29 29 ASN HB3 H 1 2.785 0.04 . 2 . . . . 29 ASN HB3 . 16252 1 277 . 1 1 29 29 ASN C C 13 172.830 0.1 . 1 . . . . 29 ASN C . 16252 1 278 . 1 1 29 29 ASN CA C 13 53.655 0.1 . 1 . . . . 29 ASN CA . 16252 1 279 . 1 1 29 29 ASN CB C 13 40.410 0.1 . 1 . . . . 29 ASN CB . 16252 1 280 . 1 1 29 29 ASN N N 15 120.735 0.1 . 1 . . . . 29 ASN N . 16252 1 281 . 1 1 30 30 LYS H H 1 8.166 0.04 . 1 . . . . 30 LYS H . 16252 1 282 . 1 1 30 30 LYS HA H 1 3.715 0.04 . 1 . . . . 30 LYS HA . 16252 1 283 . 1 1 30 30 LYS HB2 H 1 1.341 0.04 . 2 . . . . 30 LYS HB2 . 16252 1 284 . 1 1 30 30 LYS HB3 H 1 1.288 0.04 . 2 . . . . 30 LYS HB3 . 16252 1 285 . 1 1 30 30 LYS HD2 H 1 0.542 0.04 . 2 . . . . 30 LYS HD2 . 16252 1 286 . 1 1 30 30 LYS HD3 H 1 0.542 0.04 . 2 . . . . 30 LYS HD3 . 16252 1 287 . 1 1 30 30 LYS HG2 H 1 0.922 0.04 . 2 . . . . 30 LYS HG2 . 16252 1 288 . 1 1 30 30 LYS HG3 H 1 0.901 0.04 . 2 . . . . 30 LYS HG3 . 16252 1 289 . 1 1 30 30 LYS C C 13 174.843 0.1 . 1 . . . . 30 LYS C . 16252 1 290 . 1 1 30 30 LYS CA C 13 57.293 0.1 . 1 . . . . 30 LYS CA . 16252 1 291 . 1 1 30 30 LYS CB C 13 32.571 0.1 . 1 . . . . 30 LYS CB . 16252 1 292 . 1 1 30 30 LYS N N 15 122.268 0.1 . 1 . . . . 30 LYS N . 16252 1 293 . 1 1 31 31 PHE H H 1 7.838 0.04 . 1 . . . . 31 PHE H . 16252 1 294 . 1 1 31 31 PHE HA H 1 4.534 0.04 . 1 . . . . 31 PHE HA . 16252 1 295 . 1 1 31 31 PHE HB2 H 1 2.680 0.04 . 2 . . . . 31 PHE HB2 . 16252 1 296 . 1 1 31 31 PHE HB3 H 1 2.834 0.04 . 2 . . . . 31 PHE HB3 . 16252 1 297 . 1 1 31 31 PHE HD1 H 1 7.141 0.04 . 3 . . . . 31 PHE HD1 . 16252 1 298 . 1 1 31 31 PHE HD2 H 1 7.141 0.04 . 3 . . . . 31 PHE HD2 . 16252 1 299 . 1 1 31 31 PHE HE1 H 1 7.760 0.04 . 3 . . . . 31 PHE HE1 . 16252 1 300 . 1 1 31 31 PHE HE2 H 1 7.760 0.04 . 3 . . . . 31 PHE HE2 . 16252 1 301 . 1 1 31 31 PHE HZ H 1 7.420 0.04 . 1 . . . . 31 PHE HZ . 16252 1 302 . 1 1 31 31 PHE C C 13 175.160 0.1 . 1 . . . . 31 PHE C . 16252 1 303 . 1 1 31 31 PHE CA C 13 56.163 0.1 . 1 . . . . 31 PHE CA . 16252 1 304 . 1 1 31 31 PHE CB C 13 40.700 0.1 . 1 . . . . 31 PHE CB . 16252 1 305 . 1 1 31 31 PHE N N 15 115.705 0.1 . 1 . . . . 31 PHE N . 16252 1 306 . 1 1 32 32 ILE H H 1 7.947 0.04 . 1 . . . . 32 ILE H . 16252 1 307 . 1 1 32 32 ILE HA H 1 4.398 0.04 . 1 . . . . 32 ILE HA . 16252 1 308 . 1 1 32 32 ILE HB H 1 1.015 0.04 . 1 . . . . 32 ILE HB . 16252 1 309 . 1 1 32 32 ILE HD11 H 1 0.172 0.04 . 1 . . . . 32 ILE HD11 . 16252 1 310 . 1 1 32 32 ILE HD12 H 1 0.172 0.04 . 1 . . . . 32 ILE HD12 . 16252 1 311 . 1 1 32 32 ILE HD13 H 1 0.172 0.04 . 1 . . . . 32 ILE HD13 . 16252 1 312 . 1 1 32 32 ILE HG12 H 1 0.554 0.04 . 2 . . . . 32 ILE HG12 . 16252 1 313 . 1 1 32 32 ILE HG13 H 1 0.554 0.04 . 2 . . . . 32 ILE HG13 . 16252 1 314 . 1 1 32 32 ILE HG21 H 1 0.199 0.04 . 1 . . . . 32 ILE HG21 . 16252 1 315 . 1 1 32 32 ILE HG22 H 1 0.199 0.04 . 1 . . . . 32 ILE HG22 . 16252 1 316 . 1 1 32 32 ILE HG23 H 1 0.199 0.04 . 1 . . . . 32 ILE HG23 . 16252 1 317 . 1 1 32 32 ILE C C 13 175.577 0.1 . 1 . . . . 32 ILE C . 16252 1 318 . 1 1 32 32 ILE CA C 13 58.803 0.1 . 1 . . . . 32 ILE CA . 16252 1 319 . 1 1 32 32 ILE CB C 13 40.472 0.1 . 1 . . . . 32 ILE CB . 16252 1 320 . 1 1 32 32 ILE CD1 C 13 14.497 0.1 . 1 . . . . 32 ILE CD1 . 16252 1 321 . 1 1 32 32 ILE CG1 C 13 26.087 0.1 . 1 . . . . 32 ILE CG1 . 16252 1 322 . 1 1 32 32 ILE CG2 C 13 17.800 0.1 . 1 . . . . 32 ILE CG2 . 16252 1 323 . 1 1 32 32 ILE N N 15 117.425 0.1 . 1 . . . . 32 ILE N . 16252 1 324 . 1 1 33 33 THR H H 1 7.198 0.04 . 1 . . . . 33 THR H . 16252 1 325 . 1 1 33 33 THR HA H 1 4.357 0.04 . 1 . . . . 33 THR HA . 16252 1 326 . 1 1 33 33 THR HB H 1 4.604 0.04 . 1 . . . . 33 THR HB . 16252 1 327 . 1 1 33 33 THR HG21 H 1 1.218 0.04 . 1 . . . . 33 THR HG21 . 16252 1 328 . 1 1 33 33 THR HG22 H 1 1.218 0.04 . 1 . . . . 33 THR HG22 . 16252 1 329 . 1 1 33 33 THR HG23 H 1 1.218 0.04 . 1 . . . . 33 THR HG23 . 16252 1 330 . 1 1 33 33 THR C C 13 175.142 0.1 . 1 . . . . 33 THR C . 16252 1 331 . 1 1 33 33 THR CA C 13 60.031 0.1 . 1 . . . . 33 THR CA . 16252 1 332 . 1 1 33 33 THR CB C 13 71.157 0.1 . 1 . . . . 33 THR CB . 16252 1 333 . 1 1 33 33 THR N N 15 114.979 0.1 . 1 . . . . 33 THR N . 16252 1 334 . 1 1 34 34 LYS H H 1 8.958 0.04 . 1 . . . . 34 LYS H . 16252 1 335 . 1 1 34 34 LYS HA H 1 3.732 0.04 . 1 . . . . 34 LYS HA . 16252 1 336 . 1 1 34 34 LYS HB2 H 1 1.769 0.04 . 2 . . . . 34 LYS HB2 . 16252 1 337 . 1 1 34 34 LYS HB3 H 1 1.734 0.04 . 2 . . . . 34 LYS HB3 . 16252 1 338 . 1 1 34 34 LYS HD2 H 1 1.608 0.04 . 2 . . . . 34 LYS HD2 . 16252 1 339 . 1 1 34 34 LYS HD3 H 1 1.608 0.04 . 2 . . . . 34 LYS HD3 . 16252 1 340 . 1 1 34 34 LYS HE2 H 1 2.884 0.04 . 2 . . . . 34 LYS HE2 . 16252 1 341 . 1 1 34 34 LYS HE3 H 1 2.884 0.04 . 2 . . . . 34 LYS HE3 . 16252 1 342 . 1 1 34 34 LYS HG2 H 1 1.455 0.04 . 2 . . . . 34 LYS HG2 . 16252 1 343 . 1 1 34 34 LYS HG3 H 1 1.238 0.04 . 2 . . . . 34 LYS HG3 . 16252 1 344 . 1 1 34 34 LYS C C 13 178.838 0.1 . 1 . . . . 34 LYS C . 16252 1 345 . 1 1 34 34 LYS CA C 13 60.301 0.1 . 1 . . . . 34 LYS CA . 16252 1 346 . 1 1 34 34 LYS CB C 13 31.858 0.1 . 1 . . . . 34 LYS CB . 16252 1 347 . 1 1 34 34 LYS N N 15 121.762 0.1 . 1 . . . . 34 LYS N . 16252 1 348 . 1 1 35 35 ASP H H 1 8.522 0.04 . 1 . . . . 35 ASP H . 16252 1 349 . 1 1 35 35 ASP HA H 1 4.288 0.04 . 1 . . . . 35 ASP HA . 16252 1 350 . 1 1 35 35 ASP HB2 H 1 2.505 0.04 . 2 . . . . 35 ASP HB2 . 16252 1 351 . 1 1 35 35 ASP HB3 H 1 2.453 0.04 . 2 . . . . 35 ASP HB3 . 16252 1 352 . 1 1 35 35 ASP C C 13 178.506 0.1 . 1 . . . . 35 ASP C . 16252 1 353 . 1 1 35 35 ASP CA C 13 57.198 0.1 . 1 . . . . 35 ASP CA . 16252 1 354 . 1 1 35 35 ASP CB C 13 40.999 0.1 . 1 . . . . 35 ASP CB . 16252 1 355 . 1 1 35 35 ASP N N 15 118.488 0.1 . 1 . . . . 35 ASP N . 16252 1 356 . 1 1 36 36 LYS H H 1 7.526 0.04 . 1 . . . . 36 LYS H . 16252 1 357 . 1 1 36 36 LYS HA H 1 3.893 0.04 . 1 . . . . 36 LYS HA . 16252 1 358 . 1 1 36 36 LYS HB2 H 1 1.638 0.04 . 2 . . . . 36 LYS HB2 . 16252 1 359 . 1 1 36 36 LYS HB3 H 1 1.638 0.04 . 2 . . . . 36 LYS HB3 . 16252 1 360 . 1 1 36 36 LYS HG2 H 1 1.798 0.04 . 2 . . . . 36 LYS HG2 . 16252 1 361 . 1 1 36 36 LYS HG3 H 1 1.798 0.04 . 2 . . . . 36 LYS HG3 . 16252 1 362 . 1 1 36 36 LYS C C 13 177.884 0.1 . 1 . . . . 36 LYS C . 16252 1 363 . 1 1 36 36 LYS CA C 13 58.452 0.1 . 1 . . . . 36 LYS CA . 16252 1 364 . 1 1 36 36 LYS CB C 13 31.743 0.1 . 1 . . . . 36 LYS CB . 16252 1 365 . 1 1 36 36 LYS N N 15 120.660 0.1 . 1 . . . . 36 LYS N . 16252 1 366 . 1 1 37 37 ARG H H 1 8.657 0.04 . 1 . . . . 37 ARG H . 16252 1 367 . 1 1 37 37 ARG HA H 1 3.562 0.04 . 1 . . . . 37 ARG HA . 16252 1 368 . 1 1 37 37 ARG HB2 H 1 1.621 0.04 . 2 . . . . 37 ARG HB2 . 16252 1 369 . 1 1 37 37 ARG HB3 H 1 1.574 0.04 . 2 . . . . 37 ARG HB3 . 16252 1 370 . 1 1 37 37 ARG HD2 H 1 3.13 0.04 . 2 . . . . 37 ARG HD2 . 16252 1 371 . 1 1 37 37 ARG HD3 H 1 3.13 0.04 . 2 . . . . 37 ARG HD3 . 16252 1 372 . 1 1 37 37 ARG HG2 H 1 1.387 0.04 . 2 . . . . 37 ARG HG2 . 16252 1 373 . 1 1 37 37 ARG HG3 H 1 1.387 0.04 . 2 . . . . 37 ARG HG3 . 16252 1 374 . 1 1 37 37 ARG C C 13 177.724 0.1 . 1 . . . . 37 ARG C . 16252 1 375 . 1 1 37 37 ARG CA C 13 60.058 0.1 . 1 . . . . 37 ARG CA . 16252 1 376 . 1 1 37 37 ARG CB C 13 30.366 0.1 . 1 . . . . 37 ARG CB . 16252 1 377 . 1 1 37 37 ARG N N 15 120.811 0.1 . 1 . . . . 37 ARG N . 16252 1 378 . 1 1 38 38 ARG H H 1 7.693 0.04 . 1 . . . . 38 ARG H . 16252 1 379 . 1 1 38 38 ARG HA H 1 3.776 0.04 . 1 . . . . 38 ARG HA . 16252 1 380 . 1 1 38 38 ARG HB2 H 1 1.909 0.04 . 2 . . . . 38 ARG HB2 . 16252 1 381 . 1 1 38 38 ARG HB3 H 1 1.909 0.04 . 2 . . . . 38 ARG HB3 . 16252 1 382 . 1 1 38 38 ARG C C 13 178.785 0.1 . 1 . . . . 38 ARG C . 16252 1 383 . 1 1 38 38 ARG CA C 13 59.925 0.1 . 1 . . . . 38 ARG CA . 16252 1 384 . 1 1 38 38 ARG CB C 13 29.972 0.1 . 1 . . . . 38 ARG CB . 16252 1 385 . 1 1 38 38 ARG N N 15 119.300 0.1 . 1 . . . . 38 ARG N . 16252 1 386 . 1 1 39 39 ARG H H 1 7.586 0.04 . 1 . . . . 39 ARG H . 16252 1 387 . 1 1 39 39 ARG HA H 1 4.033 0.04 . 1 . . . . 39 ARG HA . 16252 1 388 . 1 1 39 39 ARG HB2 H 1 1.883 0.04 . 2 . . . . 39 ARG HB2 . 16252 1 389 . 1 1 39 39 ARG HB3 H 1 1.835 0.04 . 2 . . . . 39 ARG HB3 . 16252 1 390 . 1 1 39 39 ARG HD2 H 1 3.119 0.04 . 2 . . . . 39 ARG HD2 . 16252 1 391 . 1 1 39 39 ARG HD3 H 1 3.076 0.04 . 2 . . . . 39 ARG HD3 . 16252 1 392 . 1 1 39 39 ARG HG2 H 1 1.682 0.04 . 2 . . . . 39 ARG HG2 . 16252 1 393 . 1 1 39 39 ARG HG3 H 1 1.561 0.04 . 2 . . . . 39 ARG HG3 . 16252 1 394 . 1 1 39 39 ARG C C 13 178.956 0.1 . 1 . . . . 39 ARG C . 16252 1 395 . 1 1 39 39 ARG CA C 13 59.409 0.1 . 1 . . . . 39 ARG CA . 16252 1 396 . 1 1 39 39 ARG CB C 13 29.736 0.1 . 1 . . . . 39 ARG CB . 16252 1 397 . 1 1 39 39 ARG N N 15 121.047 0.1 . 1 . . . . 39 ARG N . 16252 1 398 . 1 1 40 40 ILE H H 1 8.846 0.04 . 1 . . . . 40 ILE H . 16252 1 399 . 1 1 40 40 ILE HA H 1 3.874 0.04 . 1 . . . . 40 ILE HA . 16252 1 400 . 1 1 40 40 ILE HB H 1 1.712 0.04 . 1 . . . . 40 ILE HB . 16252 1 401 . 1 1 40 40 ILE HD11 H 1 0.695 0.04 . 1 . . . . 40 ILE HD11 . 16252 1 402 . 1 1 40 40 ILE HD12 H 1 0.695 0.04 . 1 . . . . 40 ILE HD12 . 16252 1 403 . 1 1 40 40 ILE HD13 H 1 0.695 0.04 . 1 . . . . 40 ILE HD13 . 16252 1 404 . 1 1 40 40 ILE HG12 H 1 1.019 0.04 . 2 . . . . 40 ILE HG12 . 16252 1 405 . 1 1 40 40 ILE HG13 H 1 1.019 0.04 . 2 . . . . 40 ILE HG13 . 16252 1 406 . 1 1 40 40 ILE HG21 H 1 0.795 0.04 . 1 . . . . 40 ILE HG21 . 16252 1 407 . 1 1 40 40 ILE HG22 H 1 0.795 0.04 . 1 . . . . 40 ILE HG22 . 16252 1 408 . 1 1 40 40 ILE HG23 H 1 0.795 0.04 . 1 . . . . 40 ILE HG23 . 16252 1 409 . 1 1 40 40 ILE C C 13 180.254 0.1 . 1 . . . . 40 ILE C . 16252 1 410 . 1 1 40 40 ILE CA C 13 64.404 0.1 . 1 . . . . 40 ILE CA . 16252 1 411 . 1 1 40 40 ILE CB C 13 38.243 0.1 . 1 . . . . 40 ILE CB . 16252 1 412 . 1 1 40 40 ILE CD1 C 13 14.668 0.1 . 1 . . . . 40 ILE CD1 . 16252 1 413 . 1 1 40 40 ILE CG2 C 13 18.883 0.1 . 1 . . . . 40 ILE CG2 . 16252 1 414 . 1 1 40 40 ILE N N 15 120.480 0.1 . 1 . . . . 40 ILE N . 16252 1 415 . 1 1 41 41 SER H H 1 8.311 0.04 . 1 . . . . 41 SER H . 16252 1 416 . 1 1 41 41 SER HA H 1 4.068 0.04 . 1 . . . . 41 SER HA . 16252 1 417 . 1 1 41 41 SER HB2 H 1 3.742 0.04 . 2 . . . . 41 SER HB2 . 16252 1 418 . 1 1 41 41 SER HB3 H 1 3.742 0.04 . 2 . . . . 41 SER HB3 . 16252 1 419 . 1 1 41 41 SER C C 13 176.206 0.1 . 1 . . . . 41 SER C . 16252 1 420 . 1 1 41 41 SER CA C 13 61.176 0.1 . 1 . . . . 41 SER CA . 16252 1 421 . 1 1 41 41 SER CB C 13 63.439 0.1 . 1 . . . . 41 SER CB . 16252 1 422 . 1 1 41 41 SER N N 15 119.289 0.1 . 1 . . . . 41 SER N . 16252 1 423 . 1 1 42 42 ALA H H 1 7.775 0.04 . 1 . . . . 42 ALA H . 16252 1 424 . 1 1 42 42 ALA HA H 1 4.104 0.04 . 1 . . . . 42 ALA HA . 16252 1 425 . 1 1 42 42 ALA HB1 H 1 1.478 0.04 . 1 . . . . 42 ALA HB1 . 16252 1 426 . 1 1 42 42 ALA HB2 H 1 1.478 0.04 . 1 . . . . 42 ALA HB2 . 16252 1 427 . 1 1 42 42 ALA HB3 H 1 1.478 0.04 . 1 . . . . 42 ALA HB3 . 16252 1 428 . 1 1 42 42 ALA C C 13 180.325 0.1 . 1 . . . . 42 ALA C . 16252 1 429 . 1 1 42 42 ALA CA C 13 54.802 0.1 . 1 . . . . 42 ALA CA . 16252 1 430 . 1 1 42 42 ALA CB C 13 18.106 0.1 . 1 . . . . 42 ALA CB . 16252 1 431 . 1 1 42 42 ALA N N 15 122.299 0.1 . 1 . . . . 42 ALA N . 16252 1 432 . 1 1 43 43 THR H H 1 8.121 0.04 . 1 . . . . 43 THR H . 16252 1 433 . 1 1 43 43 THR HA H 1 3.970 0.04 . 1 . . . . 43 THR HA . 16252 1 434 . 1 1 43 43 THR HB H 1 4.085 0.04 . 1 . . . . 43 THR HB . 16252 1 435 . 1 1 43 43 THR HG21 H 1 1.116 0.04 . 1 . . . . 43 THR HG21 . 16252 1 436 . 1 1 43 43 THR HG22 H 1 1.116 0.04 . 1 . . . . 43 THR HG22 . 16252 1 437 . 1 1 43 43 THR HG23 H 1 1.116 0.04 . 1 . . . . 43 THR HG23 . 16252 1 438 . 1 1 43 43 THR C C 13 176.328 0.1 . 1 . . . . 43 THR C . 16252 1 439 . 1 1 43 43 THR CA C 13 65.403 0.1 . 1 . . . . 43 THR CA . 16252 1 440 . 1 1 43 43 THR CB C 13 69.067 0.1 . 1 . . . . 43 THR CB . 16252 1 441 . 1 1 43 43 THR N N 15 112.564 0.1 . 1 . . . . 43 THR N . 16252 1 442 . 1 1 44 44 THR H H 1 7.995 0.04 . 1 . . . . 44 THR H . 16252 1 443 . 1 1 44 44 THR HA H 1 4.256 0.04 . 1 . . . . 44 THR HA . 16252 1 444 . 1 1 44 44 THR HB H 1 3.981 0.04 . 1 . . . . 44 THR HB . 16252 1 445 . 1 1 44 44 THR HG21 H 1 1.135 0.04 . 1 . . . . 44 THR HG21 . 16252 1 446 . 1 1 44 44 THR HG22 H 1 1.135 0.04 . 1 . . . . 44 THR HG22 . 16252 1 447 . 1 1 44 44 THR HG23 H 1 1.135 0.04 . 1 . . . . 44 THR HG23 . 16252 1 448 . 1 1 44 44 THR C C 13 175.909 0.1 . 1 . . . . 44 THR C . 16252 1 449 . 1 1 44 44 THR CA C 13 62.828 0.1 . 1 . . . . 44 THR CA . 16252 1 450 . 1 1 44 44 THR CB C 13 71.984 0.1 . 1 . . . . 44 THR CB . 16252 1 451 . 1 1 44 44 THR N N 15 108.432 0.1 . 1 . . . . 44 THR N . 16252 1 452 . 1 1 45 45 ASN H H 1 8.061 0.04 . 1 . . . . 45 ASN H . 16252 1 453 . 1 1 45 45 ASN HA H 1 4.344 0.04 . 1 . . . . 45 ASN HA . 16252 1 454 . 1 1 45 45 ASN HB2 H 1 3.076 0.04 . 2 . . . . 45 ASN HB2 . 16252 1 455 . 1 1 45 45 ASN HB3 H 1 2.835 0.04 . 2 . . . . 45 ASN HB3 . 16252 1 456 . 1 1 45 45 ASN C C 13 174.180 0.1 . 1 . . . . 45 ASN C . 16252 1 457 . 1 1 45 45 ASN CA C 13 55.383 0.1 . 1 . . . . 45 ASN CA . 16252 1 458 . 1 1 45 45 ASN CB C 13 37.514 0.1 . 1 . . . . 45 ASN CB . 16252 1 459 . 1 1 45 45 ASN N N 15 117.853 0.1 . 1 . . . . 45 ASN N . 16252 1 460 . 1 1 46 46 LEU H H 1 7.564 0.04 . 1 . . . . 46 LEU H . 16252 1 461 . 1 1 46 46 LEU HA H 1 4.521 0.04 . 1 . . . . 46 LEU HA . 16252 1 462 . 1 1 46 46 LEU HB2 H 1 1.446 0.04 . 2 . . . . 46 LEU HB2 . 16252 1 463 . 1 1 46 46 LEU HB3 H 1 1.278 0.04 . 2 . . . . 46 LEU HB3 . 16252 1 464 . 1 1 46 46 LEU HD11 H 1 0.636 0.04 . 2 . . . . 46 LEU HD11 . 16252 1 465 . 1 1 46 46 LEU HD12 H 1 0.636 0.04 . 2 . . . . 46 LEU HD12 . 16252 1 466 . 1 1 46 46 LEU HD13 H 1 0.636 0.04 . 2 . . . . 46 LEU HD13 . 16252 1 467 . 1 1 46 46 LEU HD21 H 1 0.522 0.04 . 2 . . . . 46 LEU HD21 . 16252 1 468 . 1 1 46 46 LEU HD22 H 1 0.522 0.04 . 2 . . . . 46 LEU HD22 . 16252 1 469 . 1 1 46 46 LEU HD23 H 1 0.522 0.04 . 2 . . . . 46 LEU HD23 . 16252 1 470 . 1 1 46 46 LEU HG H 1 1.342 0.04 . 1 . . . . 46 LEU HG . 16252 1 471 . 1 1 46 46 LEU C C 13 176.888 0.1 . 1 . . . . 46 LEU C . 16252 1 472 . 1 1 46 46 LEU CA C 13 53.358 0.1 . 1 . . . . 46 LEU CA . 16252 1 473 . 1 1 46 46 LEU CB C 13 44.679 0.1 . 1 . . . . 46 LEU CB . 16252 1 474 . 1 1 46 46 LEU CD1 C 13 23.490 0.1 . 2 . . . . 46 LEU CD1 . 16252 1 475 . 1 1 46 46 LEU CD2 C 13 25.901 0.1 . 2 . . . . 46 LEU CD2 . 16252 1 476 . 1 1 46 46 LEU N N 15 120.524 0.1 . 1 . . . . 46 LEU N . 16252 1 477 . 1 1 47 47 SER H H 1 9.230 0.04 . 1 . . . . 47 SER H . 16252 1 478 . 1 1 47 47 SER HA H 1 4.324 0.04 . 1 . . . . 47 SER HA . 16252 1 479 . 1 1 47 47 SER HB2 H 1 3.960 0.04 . 2 . . . . 47 SER HB2 . 16252 1 480 . 1 1 47 47 SER HB3 H 1 3.960 0.04 . 2 . . . . 47 SER HB3 . 16252 1 481 . 1 1 47 47 SER C C 13 174.867 0.1 . 1 . . . . 47 SER C . 16252 1 482 . 1 1 47 47 SER CA C 13 57.191 0.1 . 1 . . . . 47 SER CA . 16252 1 483 . 1 1 47 47 SER CB C 13 64.435 0.1 . 1 . . . . 47 SER CB . 16252 1 484 . 1 1 47 47 SER N N 15 119.076 0.1 . 1 . . . . 47 SER N . 16252 1 485 . 1 1 48 48 GLU H H 1 9.166 0.04 . 1 . . . . 48 GLU H . 16252 1 486 . 1 1 48 48 GLU HA H 1 3.650 0.04 . 1 . . . . 48 GLU HA . 16252 1 487 . 1 1 48 48 GLU HB2 H 1 1.983 0.04 . 2 . . . . 48 GLU HB2 . 16252 1 488 . 1 1 48 48 GLU HB3 H 1 1.865 0.04 . 2 . . . . 48 GLU HB3 . 16252 1 489 . 1 1 48 48 GLU HG2 H 1 2.526 0.04 . 2 . . . . 48 GLU HG2 . 16252 1 490 . 1 1 48 48 GLU HG3 H 1 2.488 0.04 . 2 . . . . 48 GLU HG3 . 16252 1 491 . 1 1 48 48 GLU C C 13 178.681 0.1 . 1 . . . . 48 GLU C . 16252 1 492 . 1 1 48 48 GLU CA C 13 61.767 0.1 . 1 . . . . 48 GLU CA . 16252 1 493 . 1 1 48 48 GLU CB C 13 29.601 0.1 . 1 . . . . 48 GLU CB . 16252 1 494 . 1 1 48 48 GLU N N 15 121.700 0.1 . 1 . . . . 48 GLU N . 16252 1 495 . 1 1 49 49 ARG H H 1 8.441 0.04 . 1 . . . . 49 ARG H . 16252 1 496 . 1 1 49 49 ARG HA H 1 4.025 0.04 . 1 . . . . 49 ARG HA . 16252 1 497 . 1 1 49 49 ARG HB2 H 1 1.657 0.04 . 2 . . . . 49 ARG HB2 . 16252 1 498 . 1 1 49 49 ARG HB3 H 1 1.657 0.04 . 2 . . . . 49 ARG HB3 . 16252 1 499 . 1 1 49 49 ARG HD2 H 1 3.078 0.04 . 2 . . . . 49 ARG HD2 . 16252 1 500 . 1 1 49 49 ARG HD3 H 1 3.163 0.04 . 2 . . . . 49 ARG HD3 . 16252 1 501 . 1 1 49 49 ARG C C 13 178.043 0.1 . 1 . . . . 49 ARG C . 16252 1 502 . 1 1 49 49 ARG CA C 13 58.940 0.1 . 1 . . . . 49 ARG CA . 16252 1 503 . 1 1 49 49 ARG CB C 13 29.659 0.1 . 1 . . . . 49 ARG CB . 16252 1 504 . 1 1 49 49 ARG N N 15 119.432 0.1 . 1 . . . . 49 ARG N . 16252 1 505 . 1 1 50 50 GLN H H 1 7.994 0.04 . 1 . . . . 50 GLN H . 16252 1 506 . 1 1 50 50 GLN HA H 1 3.924 0.04 . 1 . . . . 50 GLN HA . 16252 1 507 . 1 1 50 50 GLN HB2 H 1 2.961 0.04 . 2 . . . . 50 GLN HB2 . 16252 1 508 . 1 1 50 50 GLN HB3 H 1 2.126 0.04 . 2 . . . . 50 GLN HB3 . 16252 1 509 . 1 1 50 50 GLN HG2 H 1 2.482 0.04 . 2 . . . . 50 GLN HG2 . 16252 1 510 . 1 1 50 50 GLN HG3 H 1 2.482 0.04 . 2 . . . . 50 GLN HG3 . 16252 1 511 . 1 1 50 50 GLN C C 13 179.886 0.1 . 1 . . . . 50 GLN C . 16252 1 512 . 1 1 50 50 GLN CA C 13 59.072 0.1 . 1 . . . . 50 GLN CA . 16252 1 513 . 1 1 50 50 GLN CB C 13 29.631 0.1 . 1 . . . . 50 GLN CB . 16252 1 514 . 1 1 50 50 GLN CG C 13 34.19 0.1 . 1 . . . . 50 GLN CG . 16252 1 515 . 1 1 50 50 GLN N N 15 118.800 0.1 . 1 . . . . 50 GLN N . 16252 1 516 . 1 1 51 51 VAL H H 1 8.271 0.04 . 1 . . . . 51 VAL H . 16252 1 517 . 1 1 51 51 VAL HA H 1 3.598 0.04 . 1 . . . . 51 VAL HA . 16252 1 518 . 1 1 51 51 VAL HB H 1 2.259 0.04 . 1 . . . . 51 VAL HB . 16252 1 519 . 1 1 51 51 VAL HG11 H 1 0.853 0.04 . 2 . . . . 51 VAL HG11 . 16252 1 520 . 1 1 51 51 VAL HG12 H 1 0.853 0.04 . 2 . . . . 51 VAL HG12 . 16252 1 521 . 1 1 51 51 VAL HG13 H 1 0.853 0.04 . 2 . . . . 51 VAL HG13 . 16252 1 522 . 1 1 51 51 VAL HG21 H 1 0.934 0.04 . 2 . . . . 51 VAL HG21 . 16252 1 523 . 1 1 51 51 VAL HG22 H 1 0.934 0.04 . 2 . . . . 51 VAL HG22 . 16252 1 524 . 1 1 51 51 VAL HG23 H 1 0.934 0.04 . 2 . . . . 51 VAL HG23 . 16252 1 525 . 1 1 51 51 VAL C C 13 177.204 0.1 . 1 . . . . 51 VAL C . 16252 1 526 . 1 1 51 51 VAL CA C 13 67.654 0.1 . 1 . . . . 51 VAL CA . 16252 1 527 . 1 1 51 51 VAL CB C 13 31.725 0.1 . 1 . . . . 51 VAL CB . 16252 1 528 . 1 1 51 51 VAL CG1 C 13 23.254 0.1 . 1 . . . . 51 VAL CG1 . 16252 1 529 . 1 1 51 51 VAL N N 15 121.701 0.1 . 1 . . . . 51 VAL N . 16252 1 530 . 1 1 52 52 THR H H 1 8.405 0.04 . 1 . . . . 52 THR H . 16252 1 531 . 1 1 52 52 THR HA H 1 3.831 0.04 . 1 . . . . 52 THR HA . 16252 1 532 . 1 1 52 52 THR HB H 1 4.371 0.04 . 1 . . . . 52 THR HB . 16252 1 533 . 1 1 52 52 THR HG21 H 1 1.174 0.04 . 1 . . . . 52 THR HG21 . 16252 1 534 . 1 1 52 52 THR HG22 H 1 1.174 0.04 . 1 . . . . 52 THR HG22 . 16252 1 535 . 1 1 52 52 THR HG23 H 1 1.174 0.04 . 1 . . . . 52 THR HG23 . 16252 1 536 . 1 1 52 52 THR C C 13 177.204 0.1 . 1 . . . . 52 THR C . 16252 1 537 . 1 1 52 52 THR CA C 13 67.746 0.1 . 1 . . . . 52 THR CA . 16252 1 538 . 1 1 52 52 THR CB C 13 68.777 0.1 . 1 . . . . 52 THR CB . 16252 1 539 . 1 1 52 52 THR N N 15 118.216 0.1 . 1 . . . . 52 THR N . 16252 1 540 . 1 1 53 53 ILE H H 1 8.388 0.04 . 1 . . . . 53 ILE H . 16252 1 541 . 1 1 53 53 ILE HA H 1 3.692 0.04 . 1 . . . . 53 ILE HA . 16252 1 542 . 1 1 53 53 ILE HB H 1 1.848 0.04 . 1 . . . . 53 ILE HB . 16252 1 543 . 1 1 53 53 ILE HD11 H 1 0.737 0.04 . 1 . . . . 53 ILE HD11 . 16252 1 544 . 1 1 53 53 ILE HD12 H 1 0.737 0.04 . 1 . . . . 53 ILE HD12 . 16252 1 545 . 1 1 53 53 ILE HD13 H 1 0.737 0.04 . 1 . . . . 53 ILE HD13 . 16252 1 546 . 1 1 53 53 ILE HG12 H 1 1.624 0.04 . 2 . . . . 53 ILE HG12 . 16252 1 547 . 1 1 53 53 ILE HG13 H 1 1.112 0.04 . 2 . . . . 53 ILE HG13 . 16252 1 548 . 1 1 53 53 ILE HG21 H 1 0.885 0.04 . 1 . . . . 53 ILE HG21 . 16252 1 549 . 1 1 53 53 ILE HG22 H 1 0.885 0.04 . 1 . . . . 53 ILE HG22 . 16252 1 550 . 1 1 53 53 ILE HG23 H 1 0.885 0.04 . 1 . . . . 53 ILE HG23 . 16252 1 551 . 1 1 53 53 ILE C C 13 177.304 0.1 . 1 . . . . 53 ILE C . 16252 1 552 . 1 1 53 53 ILE CA C 13 64.646 0.1 . 1 . . . . 53 ILE CA . 16252 1 553 . 1 1 53 53 ILE CB C 13 38.170 0.1 . 1 . . . . 53 ILE CB . 16252 1 554 . 1 1 53 53 ILE CD1 C 13 13.117 0.1 . 1 . . . . 53 ILE CD1 . 16252 1 555 . 1 1 53 53 ILE CG2 C 13 17.164 0.1 . 1 . . . . 53 ILE CG2 . 16252 1 556 . 1 1 53 53 ILE N N 15 122.577 0.1 . 1 . . . . 53 ILE N . 16252 1 557 . 1 1 54 54 TRP H H 1 8.363 0.04 . 1 . . . . 54 TRP H . 16252 1 558 . 1 1 54 54 TRP HA H 1 3.872 0.04 . 1 . . . . 54 TRP HA . 16252 1 559 . 1 1 54 54 TRP HB2 H 1 3.405 0.04 . 2 . . . . 54 TRP HB2 . 16252 1 560 . 1 1 54 54 TRP HB3 H 1 3.223 0.04 . 2 . . . . 54 TRP HB3 . 16252 1 561 . 1 1 54 54 TRP HD1 H 1 6.468 0.04 . 1 . . . . 54 TRP HD1 . 16252 1 562 . 1 1 54 54 TRP HE1 H 1 9.249 0.04 . 1 . . . . 54 TRP HE1 . 16252 1 563 . 1 1 54 54 TRP HE3 H 1 5.555 0.04 . 1 . . . . 54 TRP HE3 . 16252 1 564 . 1 1 54 54 TRP HH2 H 1 6.144 0.04 . 1 . . . . 54 TRP HH2 . 16252 1 565 . 1 1 54 54 TRP HZ2 H 1 7.047 0.04 . 1 . . . . 54 TRP HZ2 . 16252 1 566 . 1 1 54 54 TRP HZ3 H 1 6.753 0.04 . 1 . . . . 54 TRP HZ3 . 16252 1 567 . 1 1 54 54 TRP C C 13 179.686 0.1 . 1 . . . . 54 TRP C . 16252 1 568 . 1 1 54 54 TRP CA C 13 63.314 0.1 . 1 . . . . 54 TRP CA . 16252 1 569 . 1 1 54 54 TRP CB C 13 28.337 0.1 . 1 . . . . 54 TRP CB . 16252 1 570 . 1 1 54 54 TRP CD1 C 13 126.252 0.1 . 1 . . . . 54 TRP CD1 . 16252 1 571 . 1 1 54 54 TRP N N 15 122.152 0.1 . 1 . . . . 54 TRP N . 16252 1 572 . 1 1 54 54 TRP NE1 N 15 128.996 0.1 . 1 . . . . 54 TRP NE1 . 16252 1 573 . 1 1 55 55 PHE H H 1 8.711 0.04 . 1 . . . . 55 PHE H . 16252 1 574 . 1 1 55 55 PHE HA H 1 3.632 0.04 . 1 . . . . 55 PHE HA . 16252 1 575 . 1 1 55 55 PHE HB2 H 1 3.343 0.04 . 2 . . . . 55 PHE HB2 . 16252 1 576 . 1 1 55 55 PHE HB3 H 1 3.129 0.04 . 2 . . . . 55 PHE HB3 . 16252 1 577 . 1 1 55 55 PHE HD1 H 1 6.970 0.04 . 3 . . . . 55 PHE HD1 . 16252 1 578 . 1 1 55 55 PHE HD2 H 1 6.970 0.04 . 3 . . . . 55 PHE HD2 . 16252 1 579 . 1 1 55 55 PHE HE1 H 1 6.739 0.04 . 3 . . . . 55 PHE HE1 . 16252 1 580 . 1 1 55 55 PHE HE2 H 1 6.739 0.04 . 3 . . . . 55 PHE HE2 . 16252 1 581 . 1 1 55 55 PHE HZ H 1 6.579 0.04 . 1 . . . . 55 PHE HZ . 16252 1 582 . 1 1 55 55 PHE C C 13 177.638 0.1 . 1 . . . . 55 PHE C . 16252 1 583 . 1 1 55 55 PHE CA C 13 63.232 0.1 . 1 . . . . 55 PHE CA . 16252 1 584 . 1 1 55 55 PHE CB C 13 39.475 0.1 . 1 . . . . 55 PHE CB . 16252 1 585 . 1 1 55 55 PHE N N 15 119.336 0.1 . 1 . . . . 55 PHE N . 16252 1 586 . 1 1 56 56 GLN H H 1 8.101 0.04 . 1 . . . . 56 GLN H . 16252 1 587 . 1 1 56 56 GLN HA H 1 3.889 0.04 . 1 . . . . 56 GLN HA . 16252 1 588 . 1 1 56 56 GLN HB2 H 1 2.168 0.04 . 2 . . . . 56 GLN HB2 . 16252 1 589 . 1 1 56 56 GLN HB3 H 1 2.014 0.04 . 2 . . . . 56 GLN HB3 . 16252 1 590 . 1 1 56 56 GLN HG2 H 1 2.425 0.04 . 2 . . . . 56 GLN HG2 . 16252 1 591 . 1 1 56 56 GLN HG3 H 1 2.343 0.04 . 2 . . . . 56 GLN HG3 . 16252 1 592 . 1 1 56 56 GLN C C 13 178.690 0.1 . 1 . . . . 56 GLN C . 16252 1 593 . 1 1 56 56 GLN CA C 13 59.036 0.1 . 1 . . . . 56 GLN CA . 16252 1 594 . 1 1 56 56 GLN CB C 13 28.242 0.1 . 1 . . . . 56 GLN CB . 16252 1 595 . 1 1 56 56 GLN N N 15 118.232 0.1 . 1 . . . . 56 GLN N . 16252 1 596 . 1 1 57 57 ASN H H 1 8.293 0.04 . 1 . . . . 57 ASN H . 16252 1 597 . 1 1 57 57 ASN HA H 1 4.195 0.04 . 1 . . . . 57 ASN HA . 16252 1 598 . 1 1 57 57 ASN HB2 H 1 2.573 0.04 . 2 . . . . 57 ASN HB2 . 16252 1 599 . 1 1 57 57 ASN HB3 H 1 2.374 0.04 . 2 . . . . 57 ASN HB3 . 16252 1 600 . 1 1 57 57 ASN C C 13 177.135 0.1 . 1 . . . . 57 ASN C . 16252 1 601 . 1 1 57 57 ASN CA C 13 55.060 0.1 . 1 . . . . 57 ASN CA . 16252 1 602 . 1 1 57 57 ASN CB C 13 37.675 0.1 . 1 . . . . 57 ASN CB . 16252 1 603 . 1 1 57 57 ASN N N 15 117.700 0.1 . 1 . . . . 57 ASN N . 16252 1 604 . 1 1 58 58 ARG H H 1 7.983 0.04 . 1 . . . . 58 ARG H . 16252 1 605 . 1 1 58 58 ARG HA H 1 3.286 0.04 . 1 . . . . 58 ARG HA . 16252 1 606 . 1 1 58 58 ARG HB2 H 1 0.690 0.04 . 2 . . . . 58 ARG HB2 . 16252 1 607 . 1 1 58 58 ARG HB3 H 1 -0.467 0.04 . 2 . . . . 58 ARG HB3 . 16252 1 608 . 1 1 58 58 ARG HD2 H 1 1.545 0.04 . 2 . . . . 58 ARG HD2 . 16252 1 609 . 1 1 58 58 ARG HD3 H 1 1.545 0.04 . 2 . . . . 58 ARG HD3 . 16252 1 610 . 1 1 58 58 ARG HG2 H 1 0.750 0.04 . 2 . . . . 58 ARG HG2 . 16252 1 611 . 1 1 58 58 ARG HG3 H 1 0.750 0.04 . 2 . . . . 58 ARG HG3 . 16252 1 612 . 1 1 58 58 ARG C C 13 178.534 0.1 . 1 . . . . 58 ARG C . 16252 1 613 . 1 1 58 58 ARG CA C 13 56.574 0.1 . 1 . . . . 58 ARG CA . 16252 1 614 . 1 1 58 58 ARG CB C 13 28.344 0.1 . 1 . . . . 58 ARG CB . 16252 1 615 . 1 1 58 58 ARG N N 15 124.218 0.1 . 1 . . . . 58 ARG N . 16252 1 616 . 1 1 59 59 ARG H H 1 7.501 0.04 . 1 . . . . 59 ARG H . 16252 1 617 . 1 1 59 59 ARG HA H 1 4.274 0.04 . 1 . . . . 59 ARG HA . 16252 1 618 . 1 1 59 59 ARG HB2 H 1 1.954 0.04 . 2 . . . . 59 ARG HB2 . 16252 1 619 . 1 1 59 59 ARG HB3 H 1 1.613 0.04 . 2 . . . . 59 ARG HB3 . 16252 1 620 . 1 1 59 59 ARG HG2 H 1 2.034 0.04 . 2 . . . . 59 ARG HG2 . 16252 1 621 . 1 1 59 59 ARG HG3 H 1 2.034 0.04 . 2 . . . . 59 ARG HG3 . 16252 1 622 . 1 1 59 59 ARG C C 13 179.850 0.1 . 1 . . . . 59 ARG C . 16252 1 623 . 1 1 59 59 ARG CA C 13 59.216 0.1 . 1 . . . . 59 ARG CA . 16252 1 624 . 1 1 59 59 ARG CB C 13 31.654 0.1 . 1 . . . . 59 ARG CB . 16252 1 625 . 1 1 59 59 ARG N N 15 118.225 0.1 . 1 . . . . 59 ARG N . 16252 1 626 . 1 1 60 60 VAL H H 1 7.401 0.04 . 1 . . . . 60 VAL H . 16252 1 627 . 1 1 60 60 VAL HA H 1 3.666 0.04 . 1 . . . . 60 VAL HA . 16252 1 628 . 1 1 60 60 VAL HB H 1 2.064 0.04 . 1 . . . . 60 VAL HB . 16252 1 629 . 1 1 60 60 VAL HG11 H 1 0.982 0.04 . 2 . . . . 60 VAL HG11 . 16252 1 630 . 1 1 60 60 VAL HG12 H 1 0.982 0.04 . 2 . . . . 60 VAL HG12 . 16252 1 631 . 1 1 60 60 VAL HG13 H 1 0.982 0.04 . 2 . . . . 60 VAL HG13 . 16252 1 632 . 1 1 60 60 VAL HG21 H 1 0.839 0.04 . 2 . . . . 60 VAL HG21 . 16252 1 633 . 1 1 60 60 VAL HG22 H 1 0.839 0.04 . 2 . . . . 60 VAL HG22 . 16252 1 634 . 1 1 60 60 VAL HG23 H 1 0.839 0.04 . 2 . . . . 60 VAL HG23 . 16252 1 635 . 1 1 60 60 VAL C C 13 177.772 0.1 . 1 . . . . 60 VAL C . 16252 1 636 . 1 1 60 60 VAL CA C 13 65.188 0.1 . 1 . . . . 60 VAL CA . 16252 1 637 . 1 1 60 60 VAL CB C 13 31.652 0.1 . 1 . . . . 60 VAL CB . 16252 1 638 . 1 1 60 60 VAL N N 15 119.052 0.1 . 1 . . . . 60 VAL N . 16252 1 639 . 1 1 61 61 LYS H H 1 7.587 0.04 . 1 . . . . 61 LYS H . 16252 1 640 . 1 1 61 61 LYS HA H 1 3.906 0.04 . 1 . . . . 61 LYS HA . 16252 1 641 . 1 1 61 61 LYS HB2 H 1 1.692 0.04 . 2 . . . . 61 LYS HB2 . 16252 1 642 . 1 1 61 61 LYS HB3 H 1 1.645 0.04 . 2 . . . . 61 LYS HB3 . 16252 1 643 . 1 1 61 61 LYS HD2 H 1 1.219 0.04 . 2 . . . . 61 LYS HD2 . 16252 1 644 . 1 1 61 61 LYS HD3 H 1 1.219 0.04 . 2 . . . . 61 LYS HD3 . 16252 1 645 . 1 1 61 61 LYS HE2 H 1 2.717 0.04 . 2 . . . . 61 LYS HE2 . 16252 1 646 . 1 1 61 61 LYS HE3 H 1 2.717 0.04 . 2 . . . . 61 LYS HE3 . 16252 1 647 . 1 1 61 61 LYS HG2 H 1 1.393 0.04 . 2 . . . . 61 LYS HG2 . 16252 1 648 . 1 1 61 61 LYS HG3 H 1 1.333 0.04 . 2 . . . . 61 LYS HG3 . 16252 1 649 . 1 1 61 61 LYS C C 13 177.705 0.1 . 1 . . . . 61 LYS C . 16252 1 650 . 1 1 61 61 LYS CA C 13 58.068 0.1 . 1 . . . . 61 LYS CA . 16252 1 651 . 1 1 61 61 LYS CB C 13 32.335 0.1 . 1 . . . . 61 LYS CB . 16252 1 652 . 1 1 61 61 LYS N N 15 120.721 0.1 . 1 . . . . 61 LYS N . 16252 1 653 . 1 1 62 62 GLU H H 1 7.625 0.04 . 1 . . . . 62 GLU H . 16252 1 654 . 1 1 62 62 GLU HA H 1 4.040 0.04 . 1 . . . . 62 GLU HA . 16252 1 655 . 1 1 62 62 GLU HB2 H 1 2.026 0.04 . 2 . . . . 62 GLU HB2 . 16252 1 656 . 1 1 62 62 GLU HB3 H 1 1.917 0.04 . 2 . . . . 62 GLU HB3 . 16252 1 657 . 1 1 62 62 GLU HG2 H 1 2.289 0.04 . 2 . . . . 62 GLU HG2 . 16252 1 658 . 1 1 62 62 GLU HG3 H 1 2.231 0.04 . 2 . . . . 62 GLU HG3 . 16252 1 659 . 1 1 62 62 GLU C C 13 176.996 0.1 . 1 . . . . 62 GLU C . 16252 1 660 . 1 1 62 62 GLU CA C 13 57.510 0.1 . 1 . . . . 62 GLU CA . 16252 1 661 . 1 1 62 62 GLU CB C 13 29.742 0.1 . 1 . . . . 62 GLU CB . 16252 1 662 . 1 1 62 62 GLU CG C 13 36.313 0.1 . 1 . . . . 62 GLU CG . 16252 1 663 . 1 1 62 62 GLU N N 15 119.064 0.1 . 1 . . . . 62 GLU N . 16252 1 664 . 1 1 63 63 LYS H H 1 7.841 0.04 . 1 . . . . 63 LYS H . 16252 1 665 . 1 1 63 63 LYS HA H 1 4.064 0.04 . 1 . . . . 63 LYS HA . 16252 1 666 . 1 1 63 63 LYS HB2 H 1 1.766 0.04 . 2 . . . . 63 LYS HB2 . 16252 1 667 . 1 1 63 63 LYS HB3 H 1 1.766 0.04 . 2 . . . . 63 LYS HB3 . 16252 1 668 . 1 1 63 63 LYS HD2 H 1 1.595 0.04 . 2 . . . . 63 LYS HD2 . 16252 1 669 . 1 1 63 63 LYS HD3 H 1 1.595 0.04 . 2 . . . . 63 LYS HD3 . 16252 1 670 . 1 1 63 63 LYS HE2 H 1 2.882 0.04 . 2 . . . . 63 LYS HE2 . 16252 1 671 . 1 1 63 63 LYS HE3 H 1 2.882 0.04 . 2 . . . . 63 LYS HE3 . 16252 1 672 . 1 1 63 63 LYS HG2 H 1 1.449 0.04 . 2 . . . . 63 LYS HG2 . 16252 1 673 . 1 1 63 63 LYS HG3 H 1 1.372 0.04 . 2 . . . . 63 LYS HG3 . 16252 1 674 . 1 1 63 63 LYS C C 13 176.865 0.1 . 1 . . . . 63 LYS C . 16252 1 675 . 1 1 63 63 LYS CA C 13 57.213 0.1 . 1 . . . . 63 LYS CA . 16252 1 676 . 1 1 63 63 LYS CB C 13 32.501 0.1 . 1 . . . . 63 LYS CB . 16252 1 677 . 1 1 63 63 LYS N N 15 120.291 0.1 . 1 . . . . 63 LYS N . 16252 1 678 . 1 1 64 64 LYS H H 1 8.028 0.04 . 1 . . . . 64 LYS H . 16252 1 679 . 1 1 64 64 LYS HA H 1 4.114 0.04 . 1 . . . . 64 LYS HA . 16252 1 680 . 1 1 64 64 LYS HB2 H 1 1.674 0.04 . 2 . . . . 64 LYS HB2 . 16252 1 681 . 1 1 64 64 LYS HB3 H 1 1.674 0.04 . 2 . . . . 64 LYS HB3 . 16252 1 682 . 1 1 64 64 LYS C C 13 176.929 0.1 . 1 . . . . 64 LYS C . 16252 1 683 . 1 1 64 64 LYS CA C 13 57.087 0.1 . 1 . . . . 64 LYS CA . 16252 1 684 . 1 1 64 64 LYS CB C 13 32.575 0.1 . 1 . . . . 64 LYS CB . 16252 1 685 . 1 1 64 64 LYS N N 15 121.514 0.1 . 1 . . . . 64 LYS N . 16252 1 686 . 1 1 65 65 VAL H H 1 8.054 0.04 . 1 . . . . 65 VAL H . 16252 1 687 . 1 1 65 65 VAL HA H 1 3.877 0.04 . 1 . . . . 65 VAL HA . 16252 1 688 . 1 1 65 65 VAL HB H 1 1.991 0.04 . 1 . . . . 65 VAL HB . 16252 1 689 . 1 1 65 65 VAL HG11 H 1 0.867 0.04 . 2 . . . . 65 VAL HG11 . 16252 1 690 . 1 1 65 65 VAL HG12 H 1 0.867 0.04 . 2 . . . . 65 VAL HG12 . 16252 1 691 . 1 1 65 65 VAL HG13 H 1 0.867 0.04 . 2 . . . . 65 VAL HG13 . 16252 1 692 . 1 1 65 65 VAL HG21 H 1 0.805 0.04 . 2 . . . . 65 VAL HG21 . 16252 1 693 . 1 1 65 65 VAL HG22 H 1 0.805 0.04 . 2 . . . . 65 VAL HG22 . 16252 1 694 . 1 1 65 65 VAL HG23 H 1 0.805 0.04 . 2 . . . . 65 VAL HG23 . 16252 1 695 . 1 1 65 65 VAL C C 13 176.528 0.1 . 1 . . . . 65 VAL C . 16252 1 696 . 1 1 65 65 VAL CA C 13 63.078 0.1 . 1 . . . . 65 VAL CA . 16252 1 697 . 1 1 65 65 VAL CB C 13 32.402 0.1 . 1 . . . . 65 VAL CB . 16252 1 698 . 1 1 65 65 VAL N N 15 122.215 0.1 . 1 . . . . 65 VAL N . 16252 1 699 . 1 1 66 66 ILE H H 1 8.249 0.04 . 1 . . . . 66 ILE H . 16252 1 700 . 1 1 66 66 ILE HA H 1 3.959 0.04 . 1 . . . . 66 ILE HA . 16252 1 701 . 1 1 66 66 ILE HB H 1 1.759 0.04 . 1 . . . . 66 ILE HB . 16252 1 702 . 1 1 66 66 ILE HD11 H 1 0.745 0.04 . 1 . . . . 66 ILE HD11 . 16252 1 703 . 1 1 66 66 ILE HD12 H 1 0.745 0.04 . 1 . . . . 66 ILE HD12 . 16252 1 704 . 1 1 66 66 ILE HD13 H 1 0.745 0.04 . 1 . . . . 66 ILE HD13 . 16252 1 705 . 1 1 66 66 ILE HG12 H 1 1.420 0.04 . 2 . . . . 66 ILE HG12 . 16252 1 706 . 1 1 66 66 ILE HG13 H 1 1.106 0.04 . 2 . . . . 66 ILE HG13 . 16252 1 707 . 1 1 66 66 ILE HG21 H 1 0.793 0.04 . 1 . . . . 66 ILE HG21 . 16252 1 708 . 1 1 66 66 ILE HG22 H 1 0.793 0.04 . 1 . . . . 66 ILE HG22 . 16252 1 709 . 1 1 66 66 ILE HG23 H 1 0.793 0.04 . 1 . . . . 66 ILE HG23 . 16252 1 710 . 1 1 66 66 ILE C C 13 176.195 0.1 . 1 . . . . 66 ILE C . 16252 1 711 . 1 1 66 66 ILE CA C 13 61.456 0.1 . 1 . . . . 66 ILE CA . 16252 1 712 . 1 1 66 66 ILE CB C 13 38.341 0.1 . 1 . . . . 66 ILE CB . 16252 1 713 . 1 1 66 66 ILE CD1 C 13 12.818 0.1 . 1 . . . . 66 ILE CD1 . 16252 1 714 . 1 1 66 66 ILE CG2 C 13 17.250 0.1 . 1 . . . . 66 ILE CG2 . 16252 1 715 . 1 1 66 66 ILE N N 15 124.992 0.1 . 1 . . . . 66 ILE N . 16252 1 716 . 1 1 67 67 ASN H H 1 8.453 0.04 . 1 . . . . 67 ASN H . 16252 1 717 . 1 1 67 67 ASN HA H 1 4.572 0.04 . 1 . . . . 67 ASN HA . 16252 1 718 . 1 1 67 67 ASN HB2 H 1 2.726 0.04 . 2 . . . . 67 ASN HB2 . 16252 1 719 . 1 1 67 67 ASN HB3 H 1 2.639 0.04 . 2 . . . . 67 ASN HB3 . 16252 1 720 . 1 1 67 67 ASN C C 13 175.280 0.1 . 1 . . . . 67 ASN C . 16252 1 721 . 1 1 67 67 ASN CA C 13 53.038 0.1 . 1 . . . . 67 ASN CA . 16252 1 722 . 1 1 67 67 ASN CB C 13 38.564 0.1 . 1 . . . . 67 ASN CB . 16252 1 723 . 1 1 67 67 ASN N N 15 122.874 0.1 . 1 . . . . 67 ASN N . 16252 1 724 . 1 1 68 68 LYS H H 1 8.275 0.04 . 1 . . . . 68 LYS H . 16252 1 725 . 1 1 68 68 LYS HA H 1 4.108 0.04 . 1 . . . . 68 LYS HA . 16252 1 726 . 1 1 68 68 LYS HB2 H 1 1.695 0.04 . 2 . . . . 68 LYS HB2 . 16252 1 727 . 1 1 68 68 LYS HB3 H 1 1.695 0.04 . 2 . . . . 68 LYS HB3 . 16252 1 728 . 1 1 68 68 LYS C C 13 176.652 0.1 . 1 . . . . 68 LYS C . 16252 1 729 . 1 1 68 68 LYS CA C 13 56.887 0.1 . 1 . . . . 68 LYS CA . 16252 1 730 . 1 1 68 68 LYS CB C 13 32.660 0.1 . 1 . . . . 68 LYS CB . 16252 1 731 . 1 1 68 68 LYS N N 15 122.561 0.1 . 1 . . . . 68 LYS N . 16252 1 732 . 1 1 69 69 LEU H H 1 8.139 0.04 . 1 . . . . 69 LEU H . 16252 1 733 . 1 1 69 69 LEU HA H 1 4.213 0.04 . 1 . . . . 69 LEU HA . 16252 1 734 . 1 1 69 69 LEU HB2 H 1 1.538 0.04 . 2 . . . . 69 LEU HB2 . 16252 1 735 . 1 1 69 69 LEU HB3 H 1 1.538 0.04 . 2 . . . . 69 LEU HB3 . 16252 1 736 . 1 1 69 69 LEU HD11 H 1 0.822 0.04 . 2 . . . . 69 LEU HD11 . 16252 1 737 . 1 1 69 69 LEU HD12 H 1 0.822 0.04 . 2 . . . . 69 LEU HD12 . 16252 1 738 . 1 1 69 69 LEU HD13 H 1 0.822 0.04 . 2 . . . . 69 LEU HD13 . 16252 1 739 . 1 1 69 69 LEU HD21 H 1 0.763 0.04 . 2 . . . . 69 LEU HD21 . 16252 1 740 . 1 1 69 69 LEU HD22 H 1 0.763 0.04 . 2 . . . . 69 LEU HD22 . 16252 1 741 . 1 1 69 69 LEU HD23 H 1 0.763 0.04 . 2 . . . . 69 LEU HD23 . 16252 1 742 . 1 1 69 69 LEU HG H 1 1.476 0.04 . 1 . . . . 69 LEU HG . 16252 1 743 . 1 1 69 69 LEU C C 13 177.374 0.1 . 1 . . . . 69 LEU C . 16252 1 744 . 1 1 69 69 LEU CA C 13 55.198 0.1 . 1 . . . . 69 LEU CA . 16252 1 745 . 1 1 69 69 LEU CB C 13 42.113 0.1 . 1 . . . . 69 LEU CB . 16252 1 746 . 1 1 69 69 LEU N N 15 122.559 0.1 . 1 . . . . 69 LEU N . 16252 1 747 . 1 1 70 70 LYS H H 1 8.202 0.04 . 1 . . . . 70 LYS H . 16252 1 748 . 1 1 70 70 LYS HA H 1 4.248 0.04 . 1 . . . . 70 LYS HA . 16252 1 749 . 1 1 70 70 LYS HB2 H 1 1.761 0.04 . 2 . . . . 70 LYS HB2 . 16252 1 750 . 1 1 70 70 LYS HB3 H 1 1.665 0.04 . 2 . . . . 70 LYS HB3 . 16252 1 751 . 1 1 70 70 LYS HD2 H 1 1.556 0.04 . 2 . . . . 70 LYS HD2 . 16252 1 752 . 1 1 70 70 LYS HD3 H 1 1.556 0.04 . 2 . . . . 70 LYS HD3 . 16252 1 753 . 1 1 70 70 LYS HE2 H 1 2.843 0.04 . 2 . . . . 70 LYS HE2 . 16252 1 754 . 1 1 70 70 LYS HE3 H 1 2.843 0.04 . 2 . . . . 70 LYS HE3 . 16252 1 755 . 1 1 70 70 LYS HG2 H 1 1.360 0.04 . 2 . . . . 70 LYS HG2 . 16252 1 756 . 1 1 70 70 LYS HG3 H 1 1.275 0.04 . 2 . . . . 70 LYS HG3 . 16252 1 757 . 1 1 70 70 LYS C C 13 176.761 0.1 . 1 . . . . 70 LYS C . 16252 1 758 . 1 1 70 70 LYS CA C 13 56.279 0.1 . 1 . . . . 70 LYS CA . 16252 1 759 . 1 1 70 70 LYS CB C 13 32.848 0.1 . 1 . . . . 70 LYS CB . 16252 1 760 . 1 1 70 70 LYS N N 15 122.222 0.1 . 1 . . . . 70 LYS N . 16252 1 761 . 1 1 71 71 THR H H 1 8.159 0.04 . 1 . . . . 71 THR H . 16252 1 762 . 1 1 71 71 THR HA H 1 4.330 0.04 . 1 . . . . 71 THR HA . 16252 1 763 . 1 1 71 71 THR HB H 1 3.897 0.04 . 1 . . . . 71 THR HB . 16252 1 764 . 1 1 71 71 THR HG21 H 1 1.088 0.04 . 1 . . . . 71 THR HG21 . 16252 1 765 . 1 1 71 71 THR HG22 H 1 1.088 0.04 . 1 . . . . 71 THR HG22 . 16252 1 766 . 1 1 71 71 THR HG23 H 1 1.088 0.04 . 1 . . . . 71 THR HG23 . 16252 1 767 . 1 1 71 71 THR C C 13 174.846 0.1 . 1 . . . . 71 THR C . 16252 1 768 . 1 1 71 71 THR CA C 13 61.653 0.1 . 1 . . . . 71 THR CA . 16252 1 769 . 1 1 71 71 THR CB C 13 70.003 0.1 . 1 . . . . 71 THR CB . 16252 1 770 . 1 1 71 71 THR N N 15 115.186 0.1 . 1 . . . . 71 THR N . 16252 1 771 . 1 1 72 72 THR H H 1 8.244 0.04 . 1 . . . . 72 THR H . 16252 1 772 . 1 1 72 72 THR HA H 1 4.287 0.04 . 1 . . . . 72 THR HA . 16252 1 773 . 1 1 72 72 THR HB H 1 4.148 0.04 . 1 . . . . 72 THR HB . 16252 1 774 . 1 1 72 72 THR HG21 H 1 1.084 0.04 . 1 . . . . 72 THR HG21 . 16252 1 775 . 1 1 72 72 THR HG22 H 1 1.084 0.04 . 1 . . . . 72 THR HG22 . 16252 1 776 . 1 1 72 72 THR HG23 H 1 1.084 0.04 . 1 . . . . 72 THR HG23 . 16252 1 777 . 1 1 72 72 THR C C 13 174.834 0.1 . 1 . . . . 72 THR C . 16252 1 778 . 1 1 72 72 THR CA C 13 61.660 0.1 . 1 . . . . 72 THR CA . 16252 1 779 . 1 1 72 72 THR CB C 13 69.877 0.1 . 1 . . . . 72 THR CB . 16252 1 780 . 1 1 72 72 THR N N 15 115.920 0.1 . 1 . . . . 72 THR N . 16252 1 781 . 1 1 73 73 SER H H 1 8.438 0.04 . 1 . . . . 73 SER H . 16252 1 782 . 1 1 73 73 SER HA H 1 4.349 0.04 . 1 . . . . 73 SER HA . 16252 1 783 . 1 1 73 73 SER HB2 H 1 3.787 0.04 . 2 . . . . 73 SER HB2 . 16252 1 784 . 1 1 73 73 SER HB3 H 1 3.787 0.04 . 2 . . . . 73 SER HB3 . 16252 1 785 . 1 1 73 73 SER C C 13 175.074 0.1 . 1 . . . . 73 SER C . 16252 1 786 . 1 1 73 73 SER CA C 13 58.736 0.1 . 1 . . . . 73 SER CA . 16252 1 787 . 1 1 73 73 SER CB C 13 63.548 0.1 . 1 . . . . 73 SER CB . 16252 1 788 . 1 1 73 73 SER N N 15 118.232 0.1 . 1 . . . . 73 SER N . 16252 1 stop_ save_