data_2217 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2217 _Entry.Title ; Structural characterization of a 39-residue synthetic peptide containing the two zinc binding domains from the HIV-1 p7 nucleocapsid protein by CD and NMR spectroscopy ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Omichinski . G. . 2217 2 G. Clore . Marius . 2217 3 Kazuyasu Sakaguchi . . . 2217 4 Ettore Appella . . . 2217 5 Angela Gronenborn . M. . 2217 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2217 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 255 2217 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 4 . . 2010-06-16 . revision BMRB 'Complete natural source information' 2217 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2217 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2217 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2217 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2217 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Omichinski, James G., Clore, G. Marius, Sakaguchi, Kazuyasu, Appella, Ettore, Gronenborn, Angela M., "Structural characterization of a 39-residue synthetic peptide containing the two zinc binding domains from the HIV-1 p7 nucleocapsid protein by CD and NMR spectroscopy," FEBS Lett. 292 (1-2), 25-30 (1991). ; _Citation.Title ; Structural characterization of a 39-residue synthetic peptide containing the two zinc binding domains from the HIV-1 p7 nucleocapsid protein by CD and NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 292 _Citation.Journal_issue 1-2 _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 25 _Citation.Page_last 30 _Citation.Year 1991 _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 James Omichinski . G. . 2217 1 2 G. Clore . Marius . 2217 1 3 Kazuyasu Sakaguchi . . . 2217 1 4 Ettore Appella . . . 2217 1 5 Angela Gronenborn . M. . 2217 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_nucleocapsid_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_nucleocapsid_protein _Assembly.Entry_ID 2217 _Assembly.ID 1 _Assembly.Name 'nucleocapsid protein' _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 . _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 'nucleocapsid protein' 1 $nucleocapsid_protein . . . . . . . . . 2217 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'nucleocapsid protein' system 2217 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nucleocapsid_protein _Entity.Sf_category entity _Entity.Sf_framecode nucleocapsid_protein _Entity.Entry_ID 2217 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'nucleocapsid protein' _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 ; VKCFNCGKEGHTARNCRAPR KKGCWKCGKEGHQMKDCTE ; _Entity.Polymer_seq_one_letter_code ; VKCFNCGKEGHTARNCRAPR KKGCWKCGKEGHQMKDCTE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 39 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 17216 . NCp7(12-55) . . . . . 100.00 44 100.00 100.00 1.39e-18 . . . . 2217 1 2 no BMRB 25532 . Gag . . . . . 100.00 432 100.00 100.00 6.44e-19 . . . . 2217 1 3 no PDB 1BJ6 . "1h Nmr Of (12-53) Ncp7D(ACGCC) COMPLEX, 10 STRUCTURES" . . . . . 100.00 42 100.00 100.00 1.96e-18 . . . . 2217 1 4 no PDB 1ESK . "Solution Structure Of Ncp7 From Hiv-1" . . . . . 100.00 42 100.00 100.00 1.96e-18 . . . . 2217 1 5 no PDB 1Q3Y . "Nmr Structure Of The Cys28his Mutant (D Form) Of The Nucleocapsid Protein Ncp7 Of Hiv-1." . . . . . 100.00 42 97.44 97.44 3.04e-17 . . . . 2217 1 6 no PDB 1Q3Z . "Nmr Structure Of The Cys28his Mutant (e Form) Of The Nucleocapsid Protein Ncp7 Of Hiv-1" . . . . . 100.00 42 97.44 97.44 3.04e-17 . . . . 2217 1 7 no PDB 2EXF . "Solution Structure Of The Hiv-1 Nucleocapsid (Ncp7(12-55)) Complexed With The Dna (-) Primer Binding Site" . . . . . 100.00 44 100.00 100.00 1.39e-18 . . . . 2217 1 8 no PDB 2JZW . "How The Hiv-1 Nucleocapsid Protein Binds And Destabilises The (-)primer Binding Site During Reverse Transcription" . . . . . 100.00 44 100.00 100.00 1.39e-18 . . . . 2217 1 9 no PDB 2L4L . "Structural Insights Into The Ctar Dna Recognition By The Hiv-1 Nucleocapsid Protein: Role Of Sugar Deoxyriboses In The Binding " . . . . . 100.00 45 100.00 100.00 1.30e-18 . . . . 2217 1 10 no DBJ BAA12988 . "Gag [Human immunodeficiency virus 1]" . . . . . 100.00 512 97.44 97.44 6.77e-20 . . . . 2217 1 11 no DBJ BAA12996 . "Gag [Human immunodeficiency virus 1]" . . . . . 100.00 512 100.00 100.00 8.88e-19 . . . . 2217 1 12 no DBJ BAB85751 . "Gag-pol fusion polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 1434 97.44 97.44 1.25e-20 . . . . 2217 1 13 no DBJ BAB85752 . "Gag protein [Human immunodeficiency virus 1]" . . . . . 100.00 499 97.44 97.44 4.03e-18 . . . . 2217 1 14 no DBJ BAC02530 . "gag-pol polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 872 97.44 97.44 9.29e-18 . . . . 2217 1 15 no EMBL CAA77483 . "p24/p25/p7, partial [Human immunodeficiency virus 1]" . . . . . 100.00 76 97.44 97.44 7.02e-19 . . . . 2217 1 16 no EMBL CAA77621 . "gag polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 500 97.44 97.44 4.61e-18 . . . . 2217 1 17 no EMBL CAB58976 . "GAG protein [Human immunodeficiency virus 1]" . . . . . 100.00 491 97.44 97.44 4.00e-18 . . . . 2217 1 18 no EMBL CAB58988 . "GAG protein [Human immunodeficiency virus 1]" . . . . . 100.00 494 97.44 97.44 3.98e-18 . . . . 2217 1 19 no EMBL CAB98186 . "GAG protein [Human immunodeficiency virus 1]" . . . . . 100.00 502 97.44 100.00 1.29e-18 . . . . 2217 1 20 no GB AAA44201 . "gag polyprotein precursor [Human immunodeficiency virus 1]" . . . . . 100.00 512 100.00 100.00 8.04e-19 . . . . 2217 1 21 no GB AAA45076 . "gag protein, partial [Human immunodeficiency virus 1]" . . . . . 100.00 495 97.44 97.44 4.12e-18 . . . . 2217 1 22 no GB AAA76686 . "gag [Human immunodeficiency virus 1]" . . . . . 100.00 500 97.44 97.44 4.39e-18 . . . . 2217 1 23 no GB AAA85230 . "gag [Human immunodeficiency virus 1]" . . . . . 100.00 499 97.44 97.44 4.03e-18 . . . . 2217 1 24 no GB AAB05598 . "gag polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 498 97.44 97.44 4.18e-18 . . . . 2217 1 25 no PIR FOVWLV . "gag polyprotein - human immunodeficiency virus type 1 (isolate LAV-1a)" . . . . . 100.00 500 97.44 97.44 3.97e-18 . . . . 2217 1 26 no PRF 1102247B . "protein gag" . . . . . 100.00 512 100.00 100.00 8.04e-19 . . . . 2217 1 27 no PRF 1103299C . "gag gene" . . . . . 100.00 478 100.00 100.00 1.09e-18 . . . . 2217 1 28 no REF NP_057849 . "Gag-Pol [Human immunodeficiency virus 1]" . . . . . 100.00 1435 100.00 100.00 2.04e-21 . . . . 2217 1 29 no REF NP_057850 . "Pr55(Gag) [Human immunodeficiency virus 1]" . . . . . 100.00 500 100.00 100.00 9.26e-19 . . . . 2217 1 30 no REF NP_579881 . "nucleocapsid [Human immunodeficiency virus 1]" . . . . . 100.00 55 100.00 100.00 9.03e-19 . . . . 2217 1 31 no SP P03347 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 100.00 512 100.00 100.00 8.04e-19 . . . . 2217 1 32 no SP P03348 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 100.00 512 97.44 97.44 6.77e-20 . . . . 2217 1 33 no SP P03366 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 100.00 1447 100.00 100.00 2.04e-21 . . . . 2217 1 34 no SP P03367 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 100.00 1447 97.44 97.44 1.00e-20 . . . . 2217 1 35 no SP P04585 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 100.00 1435 100.00 100.00 2.04e-21 . . . . 2217 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'nucleocapsid protein' common 2217 1 'zinc finger domains p7-DF' variant 2217 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 . VAL . 2217 1 2 . LYS . 2217 1 3 . CYS . 2217 1 4 . PHE . 2217 1 5 . ASN . 2217 1 6 . CYS . 2217 1 7 . GLY . 2217 1 8 . LYS . 2217 1 9 . GLU . 2217 1 10 . GLY . 2217 1 11 . HIS . 2217 1 12 . THR . 2217 1 13 . ALA . 2217 1 14 . ARG . 2217 1 15 . ASN . 2217 1 16 . CYS . 2217 1 17 . ARG . 2217 1 18 . ALA . 2217 1 19 . PRO . 2217 1 20 . ARG . 2217 1 21 . LYS . 2217 1 22 . LYS . 2217 1 23 . GLY . 2217 1 24 . CYS . 2217 1 25 . TRP . 2217 1 26 . LYS . 2217 1 27 . CYS . 2217 1 28 . GLY . 2217 1 29 . LYS . 2217 1 30 . GLU . 2217 1 31 . GLY . 2217 1 32 . HIS . 2217 1 33 . GLN . 2217 1 34 . MET . 2217 1 35 . LYS . 2217 1 36 . ASP . 2217 1 37 . CYS . 2217 1 38 . THR . 2217 1 39 . GLU . 2217 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 . VAL 1 1 2217 1 . LYS 2 2 2217 1 . CYS 3 3 2217 1 . PHE 4 4 2217 1 . ASN 5 5 2217 1 . CYS 6 6 2217 1 . GLY 7 7 2217 1 . LYS 8 8 2217 1 . GLU 9 9 2217 1 . GLY 10 10 2217 1 . HIS 11 11 2217 1 . THR 12 12 2217 1 . ALA 13 13 2217 1 . ARG 14 14 2217 1 . ASN 15 15 2217 1 . CYS 16 16 2217 1 . ARG 17 17 2217 1 . ALA 18 18 2217 1 . PRO 19 19 2217 1 . ARG 20 20 2217 1 . LYS 21 21 2217 1 . LYS 22 22 2217 1 . GLY 23 23 2217 1 . CYS 24 24 2217 1 . TRP 25 25 2217 1 . LYS 26 26 2217 1 . CYS 27 27 2217 1 . GLY 28 28 2217 1 . LYS 29 29 2217 1 . GLU 30 30 2217 1 . GLY 31 31 2217 1 . HIS 32 32 2217 1 . GLN 33 33 2217 1 . MET 34 34 2217 1 . LYS 35 35 2217 1 . ASP 36 36 2217 1 . CYS 37 37 2217 1 . THR 38 38 2217 1 . GLU 39 39 2217 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 2217 _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 $nucleocapsid_protein . 12721 virus . HIV HIV . . Virus . HIV . generic . . . . . . . . . . . . . . . . . . . . 2217 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 2217 _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 $nucleocapsid_protein . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2217 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2217 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 2217 _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 pH 5.8 . na 2217 1 temperature 288 . K 2217 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 2217 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 2217 _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 unknown unknown . 0 'spectrometer information not available' . . 2217 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 2217 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 2217 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 2217 _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 H . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2217 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 2217 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 2217 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 VAL HA H 1 3.77 . . 1 . . . . . . . . 2217 1 2 . 1 1 1 1 VAL HB H 1 2.01 . . 1 . . . . . . . . 2217 1 3 . 1 1 1 1 VAL HG11 H 1 .83 . . 1 . . . . . . . . 2217 1 4 . 1 1 1 1 VAL HG12 H 1 .83 . . 1 . . . . . . . . 2217 1 5 . 1 1 1 1 VAL HG13 H 1 .83 . . 1 . . . . . . . . 2217 1 6 . 1 1 1 1 VAL HG21 H 1 .83 . . 1 . . . . . . . . 2217 1 7 . 1 1 1 1 VAL HG22 H 1 .83 . . 1 . . . . . . . . 2217 1 8 . 1 1 1 1 VAL HG23 H 1 .83 . . 1 . . . . . . . . 2217 1 9 . 1 1 2 2 LYS H H 1 8.52 . . 1 . . . . . . . . 2217 1 10 . 1 1 2 2 LYS HA H 1 4.41 . . 1 . . . . . . . . 2217 1 11 . 1 1 2 2 LYS HB2 H 1 1.5 . . 2 . . . . . . . . 2217 1 12 . 1 1 2 2 LYS HB3 H 1 1.44 . . 2 . . . . . . . . 2217 1 13 . 1 1 2 2 LYS HG2 H 1 1.01 . . 1 . . . . . . . . 2217 1 14 . 1 1 2 2 LYS HG3 H 1 1.01 . . 1 . . . . . . . . 2217 1 15 . 1 1 2 2 LYS HD2 H 1 1.07 . . 1 . . . . . . . . 2217 1 16 . 1 1 2 2 LYS HD3 H 1 1.07 . . 1 . . . . . . . . 2217 1 17 . 1 1 2 2 LYS HE2 H 1 2.86 . . 1 . . . . . . . . 2217 1 18 . 1 1 2 2 LYS HE3 H 1 2.86 . . 1 . . . . . . . . 2217 1 19 . 1 1 3 3 CYS H H 1 8.31 . . 1 . . . . . . . . 2217 1 20 . 1 1 3 3 CYS HA H 1 4.06 . . 1 . . . . . . . . 2217 1 21 . 1 1 3 3 CYS HB2 H 1 2.78 . . 2 . . . . . . . . 2217 1 22 . 1 1 3 3 CYS HB3 H 1 1.79 . . 2 . . . . . . . . 2217 1 23 . 1 1 4 4 PHE H H 1 8.84 . . 1 . . . . . . . . 2217 1 24 . 1 1 4 4 PHE HA H 1 4.47 . . 1 . . . . . . . . 2217 1 25 . 1 1 4 4 PHE HB2 H 1 3.11 . . 2 . . . . . . . . 2217 1 26 . 1 1 4 4 PHE HB3 H 1 3.22 . . 2 . . . . . . . . 2217 1 27 . 1 1 4 4 PHE HD1 H 1 7.29 . . 1 . . . . . . . . 2217 1 28 . 1 1 4 4 PHE HD2 H 1 7.29 . . 1 . . . . . . . . 2217 1 29 . 1 1 4 4 PHE HE1 H 1 7.34 . . 1 . . . . . . . . 2217 1 30 . 1 1 4 4 PHE HE2 H 1 7.34 . . 1 . . . . . . . . 2217 1 31 . 1 1 4 4 PHE HZ H 1 7.34 . . 1 . . . . . . . . 2217 1 32 . 1 1 5 5 ASN H H 1 9.56 . . 1 . . . . . . . . 2217 1 33 . 1 1 5 5 ASN HA H 1 4.71 . . 1 . . . . . . . . 2217 1 34 . 1 1 5 5 ASN HB2 H 1 2.75 . . 2 . . . . . . . . 2217 1 35 . 1 1 5 5 ASN HB3 H 1 3.1 . . 2 . . . . . . . . 2217 1 36 . 1 1 5 5 ASN HD21 H 1 6.83 . . 2 . . . . . . . . 2217 1 37 . 1 1 5 5 ASN HD22 H 1 8.08 . . 2 . . . . . . . . 2217 1 38 . 1 1 6 6 CYS H H 1 8.83 . . 1 . . . . . . . . 2217 1 39 . 1 1 6 6 CYS HA H 1 4.91 . . 1 . . . . . . . . 2217 1 40 . 1 1 6 6 CYS HB2 H 1 3.23 . . 2 . . . . . . . . 2217 1 41 . 1 1 6 6 CYS HB3 H 1 2.48 . . 2 . . . . . . . . 2217 1 42 . 1 1 7 7 GLY H H 1 7.94 . . 1 . . . . . . . . 2217 1 43 . 1 1 7 7 GLY HA2 H 1 3.77 . . 2 . . . . . . . . 2217 1 44 . 1 1 7 7 GLY HA3 H 1 4.09 . . 2 . . . . . . . . 2217 1 45 . 1 1 8 8 LYS H H 1 8.14 . . 1 . . . . . . . . 2217 1 46 . 1 1 8 8 LYS HA H 1 4.41 . . 1 . . . . . . . . 2217 1 47 . 1 1 8 8 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 2217 1 48 . 1 1 8 8 LYS HB3 H 1 1.81 . . 2 . . . . . . . . 2217 1 49 . 1 1 8 8 LYS HG2 H 1 1.72 . . 1 . . . . . . . . 2217 1 50 . 1 1 8 8 LYS HG3 H 1 1.72 . . 1 . . . . . . . . 2217 1 51 . 1 1 8 8 LYS HD2 H 1 1.5 . . 1 . . . . . . . . 2217 1 52 . 1 1 8 8 LYS HD3 H 1 1.5 . . 1 . . . . . . . . 2217 1 53 . 1 1 8 8 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 2217 1 54 . 1 1 8 8 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 2217 1 55 . 1 1 9 9 GLU H H 1 8.44 . . 1 . . . . . . . . 2217 1 56 . 1 1 9 9 GLU HA H 1 4.52 . . 1 . . . . . . . . 2217 1 57 . 1 1 9 9 GLU HB2 H 1 1.86 . . 2 . . . . . . . . 2217 1 58 . 1 1 9 9 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 2217 1 59 . 1 1 9 9 GLU HG2 H 1 2.21 . . 2 . . . . . . . . 2217 1 60 . 1 1 9 9 GLU HG3 H 1 2.37 . . 2 . . . . . . . . 2217 1 61 . 1 1 10 10 GLY H H 1 8.56 . . 1 . . . . . . . . 2217 1 62 . 1 1 10 10 GLY HA2 H 1 4.47 . . 2 . . . . . . . . 2217 1 63 . 1 1 10 10 GLY HA3 H 1 3.74 . . 2 . . . . . . . . 2217 1 64 . 1 1 11 11 HIS H H 1 7.22 . . 1 . . . . . . . . 2217 1 65 . 1 1 11 11 HIS HA H 1 4.8 . . 1 . . . . . . . . 2217 1 66 . 1 1 11 11 HIS HB2 H 1 3.21 . . 1 . . . . . . . . 2217 1 67 . 1 1 11 11 HIS HB3 H 1 3.21 . . 1 . . . . . . . . 2217 1 68 . 1 1 11 11 HIS HD2 H 1 7.06 . . 1 . . . . . . . . 2217 1 69 . 1 1 11 11 HIS HE1 H 1 7.41 . . 1 . . . . . . . . 2217 1 70 . 1 1 12 12 THR H H 1 8.27 . . 1 . . . . . . . . 2217 1 71 . 1 1 12 12 THR HA H 1 4.68 . . 1 . . . . . . . . 2217 1 72 . 1 1 12 12 THR HB H 1 4.48 . . 1 . . . . . . . . 2217 1 73 . 1 1 12 12 THR HG21 H 1 1.15 . . 1 . . . . . . . . 2217 1 74 . 1 1 12 12 THR HG22 H 1 1.15 . . 1 . . . . . . . . 2217 1 75 . 1 1 12 12 THR HG23 H 1 1.15 . . 1 . . . . . . . . 2217 1 76 . 1 1 13 13 ALA H H 1 8.93 . . 1 . . . . . . . . 2217 1 77 . 1 1 13 13 ALA HA H 1 4.63 . . 1 . . . . . . . . 2217 1 78 . 1 1 13 13 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 2217 1 79 . 1 1 13 13 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 2217 1 80 . 1 1 13 13 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 2217 1 81 . 1 1 14 14 ARG H H 1 8.11 . . 1 . . . . . . . . 2217 1 82 . 1 1 14 14 ARG HA H 1 4.1 . . 1 . . . . . . . . 2217 1 83 . 1 1 14 14 ARG HB2 H 1 1.69 . . 2 . . . . . . . . 2217 1 84 . 1 1 14 14 ARG HB3 H 1 1.82 . . 2 . . . . . . . . 2217 1 85 . 1 1 14 14 ARG HG2 H 1 1.61 . . 1 . . . . . . . . 2217 1 86 . 1 1 14 14 ARG HG3 H 1 1.61 . . 1 . . . . . . . . 2217 1 87 . 1 1 14 14 ARG HD2 H 1 3.16 . . 1 . . . . . . . . 2217 1 88 . 1 1 14 14 ARG HD3 H 1 3.16 . . 1 . . . . . . . . 2217 1 89 . 1 1 14 14 ARG HE H 1 7.21 . . 1 . . . . . . . . 2217 1 90 . 1 1 15 15 ASN H H 1 7.93 . . 1 . . . . . . . . 2217 1 91 . 1 1 15 15 ASN HA H 1 4.98 . . 1 . . . . . . . . 2217 1 92 . 1 1 15 15 ASN HB2 H 1 2.58 . . 2 . . . . . . . . 2217 1 93 . 1 1 15 15 ASN HB3 H 1 3 . . 2 . . . . . . . . 2217 1 94 . 1 1 15 15 ASN HD21 H 1 6.93 . . 2 . . . . . . . . 2217 1 95 . 1 1 15 15 ASN HD22 H 1 7.8 . . 2 . . . . . . . . 2217 1 96 . 1 1 16 16 CYS H H 1 7.52 . . 1 . . . . . . . . 2217 1 97 . 1 1 16 16 CYS HA H 1 3.86 . . 1 . . . . . . . . 2217 1 98 . 1 1 16 16 CYS HB2 H 1 3.34 . . 2 . . . . . . . . 2217 1 99 . 1 1 16 16 CYS HB3 H 1 2.95 . . 2 . . . . . . . . 2217 1 100 . 1 1 17 17 ARG H H 1 8.36 . . 1 . . . . . . . . 2217 1 101 . 1 1 17 17 ARG HA H 1 4.23 . . 1 . . . . . . . . 2217 1 102 . 1 1 17 17 ARG HB2 H 1 1.74 . . 2 . . . . . . . . 2217 1 103 . 1 1 17 17 ARG HB3 H 1 1.85 . . 2 . . . . . . . . 2217 1 104 . 1 1 17 17 ARG HG2 H 1 1.64 . . 1 . . . . . . . . 2217 1 105 . 1 1 17 17 ARG HG3 H 1 1.64 . . 1 . . . . . . . . 2217 1 106 . 1 1 17 17 ARG HD2 H 1 3.12 . . 1 . . . . . . . . 2217 1 107 . 1 1 17 17 ARG HD3 H 1 3.12 . . 1 . . . . . . . . 2217 1 108 . 1 1 17 17 ARG HE H 1 7.2 . . 1 . . . . . . . . 2217 1 109 . 1 1 18 18 ALA H H 1 8.26 . . 1 . . . . . . . . 2217 1 110 . 1 1 18 18 ALA HA H 1 4.54 . . 1 . . . . . . . . 2217 1 111 . 1 1 18 18 ALA HB1 H 1 1.3 . . 1 . . . . . . . . 2217 1 112 . 1 1 18 18 ALA HB2 H 1 1.3 . . 1 . . . . . . . . 2217 1 113 . 1 1 18 18 ALA HB3 H 1 1.3 . . 1 . . . . . . . . 2217 1 114 . 1 1 19 19 PRO HA H 1 4.24 . . 1 . . . . . . . . 2217 1 115 . 1 1 19 19 PRO HB2 H 1 1.78 . . 2 . . . . . . . . 2217 1 116 . 1 1 19 19 PRO HB3 H 1 2.18 . . 2 . . . . . . . . 2217 1 117 . 1 1 19 19 PRO HG2 H 1 1.93 . . 1 . . . . . . . . 2217 1 118 . 1 1 19 19 PRO HG3 H 1 1.93 . . 1 . . . . . . . . 2217 1 119 . 1 1 19 19 PRO HD2 H 1 3.54 . . 2 . . . . . . . . 2217 1 120 . 1 1 19 19 PRO HD3 H 1 3.74 . . 2 . . . . . . . . 2217 1 121 . 1 1 20 20 ARG H H 1 8.42 . . 1 . . . . . . . . 2217 1 122 . 1 1 20 20 ARG HA H 1 4.25 . . 1 . . . . . . . . 2217 1 123 . 1 1 20 20 ARG HB2 H 1 1.7 . . 2 . . . . . . . . 2217 1 124 . 1 1 20 20 ARG HB3 H 1 1.78 . . 2 . . . . . . . . 2217 1 125 . 1 1 20 20 ARG HG2 H 1 1.58 . . 1 . . . . . . . . 2217 1 126 . 1 1 20 20 ARG HG3 H 1 1.58 . . 1 . . . . . . . . 2217 1 127 . 1 1 20 20 ARG HD2 H 1 3.08 . . 1 . . . . . . . . 2217 1 128 . 1 1 20 20 ARG HD3 H 1 3.08 . . 1 . . . . . . . . 2217 1 129 . 1 1 20 20 ARG HE H 1 7.12 . . 1 . . . . . . . . 2217 1 130 . 1 1 21 21 LYS H H 1 8.3 . . 1 . . . . . . . . 2217 1 131 . 1 1 21 21 LYS HA H 1 4.24 . . 1 . . . . . . . . 2217 1 132 . 1 1 21 21 LYS HB2 H 1 1.78 . . 2 . . . . . . . . 2217 1 133 . 1 1 21 21 LYS HB3 H 1 1.69 . . 2 . . . . . . . . 2217 1 134 . 1 1 21 21 LYS HG2 H 1 1.33 . . 1 . . . . . . . . 2217 1 135 . 1 1 21 21 LYS HG3 H 1 1.33 . . 1 . . . . . . . . 2217 1 136 . 1 1 21 21 LYS HD2 H 1 1.55 . . 1 . . . . . . . . 2217 1 137 . 1 1 21 21 LYS HD3 H 1 1.55 . . 1 . . . . . . . . 2217 1 138 . 1 1 21 21 LYS HE2 H 1 2.86 . . 1 . . . . . . . . 2217 1 139 . 1 1 21 21 LYS HE3 H 1 2.86 . . 1 . . . . . . . . 2217 1 140 . 1 1 22 22 LYS H H 1 8.39 . . 1 . . . . . . . . 2217 1 141 . 1 1 22 22 LYS HA H 1 4.33 . . 1 . . . . . . . . 2217 1 142 . 1 1 22 22 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 2217 1 143 . 1 1 22 22 LYS HB3 H 1 1.7 . . 2 . . . . . . . . 2217 1 144 . 1 1 22 22 LYS HG2 H 1 1.41 . . 2 . . . . . . . . 2217 1 145 . 1 1 22 22 LYS HG3 H 1 1.37 . . 2 . . . . . . . . 2217 1 146 . 1 1 22 22 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 2217 1 147 . 1 1 22 22 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 2217 1 148 . 1 1 22 22 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 2217 1 149 . 1 1 22 22 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 2217 1 150 . 1 1 23 23 GLY H H 1 8.24 . . 1 . . . . . . . . 2217 1 151 . 1 1 23 23 GLY HA2 H 1 3.75 . . 2 . . . . . . . . 2217 1 152 . 1 1 23 23 GLY HA3 H 1 3.56 . . 2 . . . . . . . . 2217 1 153 . 1 1 24 24 CYS H H 1 8.17 . . 1 . . . . . . . . 2217 1 154 . 1 1 24 24 CYS HA H 1 4 . . 1 . . . . . . . . 2217 1 155 . 1 1 24 24 CYS HB2 H 1 2.01 . . 2 . . . . . . . . 2217 1 156 . 1 1 24 24 CYS HB3 H 1 2.86 . . 2 . . . . . . . . 2217 1 157 . 1 1 25 25 TRP H H 1 8.6 . . 1 . . . . . . . . 2217 1 158 . 1 1 25 25 TRP HA H 1 4.48 . . 1 . . . . . . . . 2217 1 159 . 1 1 25 25 TRP HB2 H 1 3.4 . . 2 . . . . . . . . 2217 1 160 . 1 1 25 25 TRP HB3 H 1 3.43 . . 2 . . . . . . . . 2217 1 161 . 1 1 25 25 TRP HD1 H 1 7.34 . . 1 . . . . . . . . 2217 1 162 . 1 1 25 25 TRP HE1 H 1 10.13 . . 1 . . . . . . . . 2217 1 163 . 1 1 25 25 TRP HE3 H 1 7.6 . . 1 . . . . . . . . 2217 1 164 . 1 1 25 25 TRP HZ2 H 1 7.5 . . 1 . . . . . . . . 2217 1 165 . 1 1 25 25 TRP HZ3 H 1 7.14 . . 1 . . . . . . . . 2217 1 166 . 1 1 25 25 TRP HH2 H 1 7.23 . . 1 . . . . . . . . 2217 1 167 . 1 1 26 26 LYS H H 1 9.44 . . 1 . . . . . . . . 2217 1 168 . 1 1 26 26 LYS HA H 1 4.25 . . 1 . . . . . . . . 2217 1 169 . 1 1 26 26 LYS HB2 H 1 1.66 . . 2 . . . . . . . . 2217 1 170 . 1 1 26 26 LYS HB3 H 1 2.24 . . 2 . . . . . . . . 2217 1 171 . 1 1 26 26 LYS HG2 H 1 1.31 . . 1 . . . . . . . . 2217 1 172 . 1 1 26 26 LYS HG3 H 1 1.31 . . 1 . . . . . . . . 2217 1 173 . 1 1 26 26 LYS HD2 H 1 1.82 . . 1 . . . . . . . . 2217 1 174 . 1 1 26 26 LYS HD3 H 1 1.82 . . 1 . . . . . . . . 2217 1 175 . 1 1 26 26 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 2217 1 176 . 1 1 26 26 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 2217 1 177 . 1 1 27 27 CYS H H 1 8.69 . . 1 . . . . . . . . 2217 1 178 . 1 1 27 27 CYS HA H 1 4.94 . . 1 . . . . . . . . 2217 1 179 . 1 1 27 27 CYS HB2 H 1 2.53 . . 2 . . . . . . . . 2217 1 180 . 1 1 27 27 CYS HB3 H 1 3.22 . . 2 . . . . . . . . 2217 1 181 . 1 1 28 28 GLY H H 1 8.19 . . 1 . . . . . . . . 2217 1 182 . 1 1 28 28 GLY HA2 H 1 3.85 . . 2 . . . . . . . . 2217 1 183 . 1 1 28 28 GLY HA3 H 1 4.07 . . 2 . . . . . . . . 2217 1 184 . 1 1 29 29 LYS H H 1 8.47 . . 1 . . . . . . . . 2217 1 185 . 1 1 29 29 LYS HA H 1 4.37 . . 1 . . . . . . . . 2217 1 186 . 1 1 29 29 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 2217 1 187 . 1 1 29 29 LYS HB3 H 1 1.88 . . 2 . . . . . . . . 2217 1 188 . 1 1 29 29 LYS HG2 H 1 1.77 . . 2 . . . . . . . . 2217 1 189 . 1 1 29 29 LYS HG3 H 1 1.6 . . 2 . . . . . . . . 2217 1 190 . 1 1 29 29 LYS HD2 H 1 1.41 . . 1 . . . . . . . . 2217 1 191 . 1 1 29 29 LYS HD3 H 1 1.41 . . 1 . . . . . . . . 2217 1 192 . 1 1 29 29 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 2217 1 193 . 1 1 29 29 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 2217 1 194 . 1 1 30 30 GLU H H 1 8.55 . . 1 . . . . . . . . 2217 1 195 . 1 1 30 30 GLU HA H 1 4.22 . . 1 . . . . . . . . 2217 1 196 . 1 1 30 30 GLU HB2 H 1 1.86 . . 2 . . . . . . . . 2217 1 197 . 1 1 30 30 GLU HB3 H 1 1.99 . . 2 . . . . . . . . 2217 1 198 . 1 1 30 30 GLU HG2 H 1 2.11 . . 2 . . . . . . . . 2217 1 199 . 1 1 30 30 GLU HG3 H 1 2.22 . . 2 . . . . . . . . 2217 1 200 . 1 1 31 31 GLY H H 1 8.67 . . 1 . . . . . . . . 2217 1 201 . 1 1 31 31 GLY HA2 H 1 4.34 . . 2 . . . . . . . . 2217 1 202 . 1 1 31 31 GLY HA3 H 1 3.69 . . 2 . . . . . . . . 2217 1 203 . 1 1 32 32 HIS H H 1 7.14 . . 1 . . . . . . . . 2217 1 204 . 1 1 32 32 HIS HA H 1 4.78 . . 1 . . . . . . . . 2217 1 205 . 1 1 32 32 HIS HB2 H 1 3.19 . . 1 . . . . . . . . 2217 1 206 . 1 1 32 32 HIS HB3 H 1 3.19 . . 1 . . . . . . . . 2217 1 207 . 1 1 32 32 HIS HD2 H 1 6.84 . . 1 . . . . . . . . 2217 1 208 . 1 1 32 32 HIS HE1 H 1 7.48 . . 1 . . . . . . . . 2217 1 209 . 1 1 33 33 GLN H H 1 8.95 . . 1 . . . . . . . . 2217 1 210 . 1 1 33 33 GLN HA H 1 4.6 . . 1 . . . . . . . . 2217 1 211 . 1 1 33 33 GLN HB2 H 1 1.92 . . 1 . . . . . . . . 2217 1 212 . 1 1 33 33 GLN HB3 H 1 1.92 . . 1 . . . . . . . . 2217 1 213 . 1 1 33 33 GLN HG2 H 1 2.37 . . 2 . . . . . . . . 2217 1 214 . 1 1 33 33 GLN HG3 H 1 2.44 . . 2 . . . . . . . . 2217 1 215 . 1 1 33 33 GLN HE21 H 1 6.88 . . 2 . . . . . . . . 2217 1 216 . 1 1 33 33 GLN HE22 H 1 7.66 . . 2 . . . . . . . . 2217 1 217 . 1 1 34 34 MET H H 1 8.94 . . 1 . . . . . . . . 2217 1 218 . 1 1 34 34 MET HA H 1 4.83 . . 1 . . . . . . . . 2217 1 219 . 1 1 34 34 MET HB2 H 1 2.15 . . 1 . . . . . . . . 2217 1 220 . 1 1 34 34 MET HB3 H 1 2.15 . . 1 . . . . . . . . 2217 1 221 . 1 1 34 34 MET HG2 H 1 2.51 . . 1 . . . . . . . . 2217 1 222 . 1 1 34 34 MET HG3 H 1 2.51 . . 1 . . . . . . . . 2217 1 223 . 1 1 34 34 MET HE1 H 1 2.09 . . 1 . . . . . . . . 2217 1 224 . 1 1 34 34 MET HE2 H 1 2.09 . . 1 . . . . . . . . 2217 1 225 . 1 1 34 34 MET HE3 H 1 2.09 . . 1 . . . . . . . . 2217 1 226 . 1 1 35 35 LYS H H 1 8.63 . . 1 . . . . . . . . 2217 1 227 . 1 1 35 35 LYS HA H 1 4.24 . . 1 . . . . . . . . 2217 1 228 . 1 1 35 35 LYS HB2 H 1 1.73 . . 2 . . . . . . . . 2217 1 229 . 1 1 35 35 LYS HB3 H 1 1.88 . . 2 . . . . . . . . 2217 1 230 . 1 1 35 35 LYS HG2 H 1 1.22 . . 1 . . . . . . . . 2217 1 231 . 1 1 35 35 LYS HG3 H 1 1.22 . . 1 . . . . . . . . 2217 1 232 . 1 1 35 35 LYS HD2 H 1 1.33 . . 1 . . . . . . . . 2217 1 233 . 1 1 35 35 LYS HD3 H 1 1.33 . . 1 . . . . . . . . 2217 1 234 . 1 1 35 35 LYS HE2 H 1 3 . . 1 . . . . . . . . 2217 1 235 . 1 1 35 35 LYS HE3 H 1 3 . . 1 . . . . . . . . 2217 1 236 . 1 1 36 36 ASP H H 1 7.94 . . 1 . . . . . . . . 2217 1 237 . 1 1 36 36 ASP HA H 1 4.89 . . 1 . . . . . . . . 2217 1 238 . 1 1 36 36 ASP HB2 H 1 2.54 . . 2 . . . . . . . . 2217 1 239 . 1 1 36 36 ASP HB3 H 1 2.96 . . 2 . . . . . . . . 2217 1 240 . 1 1 37 37 CYS H H 1 7.69 . . 1 . . . . . . . . 2217 1 241 . 1 1 37 37 CYS HA H 1 3.68 . . 1 . . . . . . . . 2217 1 242 . 1 1 37 37 CYS HB2 H 1 2.87 . . 2 . . . . . . . . 2217 1 243 . 1 1 37 37 CYS HB3 H 1 3.29 . . 2 . . . . . . . . 2217 1 244 . 1 1 38 38 THR H H 1 8.32 . . 1 . . . . . . . . 2217 1 245 . 1 1 38 38 THR HA H 1 4.45 . . 1 . . . . . . . . 2217 1 246 . 1 1 38 38 THR HB H 1 4.42 . . 1 . . . . . . . . 2217 1 247 . 1 1 38 38 THR HG21 H 1 1.08 . . 1 . . . . . . . . 2217 1 248 . 1 1 38 38 THR HG22 H 1 1.08 . . 1 . . . . . . . . 2217 1 249 . 1 1 38 38 THR HG23 H 1 1.08 . . 1 . . . . . . . . 2217 1 250 . 1 1 39 39 GLU H H 1 8.62 . . 1 . . . . . . . . 2217 1 251 . 1 1 39 39 GLU HA H 1 4.06 . . 1 . . . . . . . . 2217 1 252 . 1 1 39 39 GLU HB2 H 1 1.86 . . 2 . . . . . . . . 2217 1 253 . 1 1 39 39 GLU HB3 H 1 2.13 . . 2 . . . . . . . . 2217 1 254 . 1 1 39 39 GLU HG2 H 1 2.21 . . 2 . . . . . . . . 2217 1 255 . 1 1 39 39 GLU HG3 H 1 2.37 . . 2 . . . . . . . . 2217 1 stop_ save_