data_5360 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5360 _Entry.Title ; PsaE sub-unit of the photosystem I of the cyanobacterium Synechocystis sp. PCC 6803 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-05-03 _Entry.Accession_date 2002-05-03 _Entry.Last_release_date 2003-02-25 _Entry.Original_release_date 2003-02-25 _Entry.Origination author _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 P. Barth . . . 5360 2 P. Savarin . . . 5360 3 B. Gilquin . . . 5360 4 B. Lagoutte . . . 5360 5 F. Ochsenbein . . . 5360 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5360 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 497 5360 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-02-25 2002-05-03 original author . 5360 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5360 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22325495 _Citation.DOI . _Citation.PubMed_ID 12437347 _Citation.Full_citation . _Citation.Title ; Solution NMR Structure and Backbone Dynamics of the PsaE Subunit of the Photosystem I from Synechocystis sp. PCC 6803 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 47 _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 13902 _Citation.Page_last 13914 _Citation.Year 2002 _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 Patrick Barth . . . 5360 1 2 Philippe Savarin . . . 5360 1 3 Bernard Gilquin . . . 5360 1 4 Bernard Lagoutte . . . 5360 1 5 Francoise Ochsenbein . . . 5360 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PsaE _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PsaE _Assembly.Entry_ID 5360 _Assembly.ID 1 _Assembly.Name 'Photosystem I reaction center subunit E' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5360 1 stop_ 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 'PsaE monomer' 1 $PsaE . . . native . . . . . 5360 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Photosystem I reaction center subunit E' system 5360 1 PsaE abbreviation 5360 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PsaE _Entity.Sf_category entity _Entity.Sf_framecode PsaE _Entity.Entry_ID 5360 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Photosystem I reaction center subunit E' _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 ; ALNRGDKVRIKRTESYWYGD VGTVASVEKSGILYPVIVRF DRVNYNGFSGSASGVNTNNF AENELELVQAAAK ; _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 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1GXI . "Psae Sub-Unit Of The Photosystem I Of The Cyanobacterium Synechocystis Sp. Pcc 6803" . . . . . 100.00 73 100.00 100.00 9.05e-44 . . . . 5360 1 2 no PDB 4KT0 . "Crystal Structure Of A Virus Like Photosystem I From The Cyanobacterium Synechocystis Pcc 6803" . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 3 no PDB 4L6V . "Crystal Structure Of A Virus Like Photosystem I From The Cyanobacterium Synechocystis Pcc 6803" . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 4 no DBJ BAA18383 . "photosystem I subunit IV [Synechocystis sp. PCC 6803]" . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 5 no DBJ BAK50556 . "photosystem I subunit IV [Synechocystis sp. PCC 6803]" . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 6 no DBJ BAL29555 . "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. GT-I]" . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 7 no DBJ BAL32724 . "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. PCC-N]" . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 8 no DBJ BAL35893 . "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. PCC-P]" . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 9 no GB AAA88629 . "photosystem I subunit III [Synechocystis sp.]" . . . . . 100.00 74 98.63 98.63 5.42e-43 . . . . 5360 1 10 no GB AAB26646 . "photosystem I subunit E, PSI-E [Synechocystis]" . . . . . 84.93 62 100.00 100.00 1.42e-35 . . . . 5360 1 11 no GB AGF52071 . "photosystem I subunit IV [Synechocystis sp. PCC 6803]" . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 12 no GB AIE74398 . "photosystem I subunit IV (PsaE) [Synechocystis sp. PCC 6714]" . . . . . 100.00 74 98.63 100.00 3.11e-43 . . . . 5360 1 13 no REF NP_441703 . "photosystem I reaction center subunit IV [Synechocystis sp. PCC 6803]" . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 14 no REF WP_010873003 . "photosystem I reaction center subunit IV [Synechocystis sp. PCC 6803]" . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 15 no REF YP_005383570 . "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. GT-I]" . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 16 no REF YP_005386739 . "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. PCC-P]" . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 17 no REF YP_005409446 . "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. PCC-N]" . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 18 no SP P12975 . "RecName: Full=Photosystem I reaction center subunit IV; AltName: Full=Photosystem I 8.1 kDa protein; AltName: Full=p30 protein " . . . . . 100.00 74 100.00 100.00 6.09e-44 . . . . 5360 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Photosystem I reaction center subunit E' common 5360 1 PsaE abbreviation 5360 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 . ALA . 5360 1 2 . LEU . 5360 1 3 . ASN . 5360 1 4 . ARG . 5360 1 5 . GLY . 5360 1 6 . ASP . 5360 1 7 . LYS . 5360 1 8 . VAL . 5360 1 9 . ARG . 5360 1 10 . ILE . 5360 1 11 . LYS . 5360 1 12 . ARG . 5360 1 13 . THR . 5360 1 14 . GLU . 5360 1 15 . SER . 5360 1 16 . TYR . 5360 1 17 . TRP . 5360 1 18 . TYR . 5360 1 19 . GLY . 5360 1 20 . ASP . 5360 1 21 . VAL . 5360 1 22 . GLY . 5360 1 23 . THR . 5360 1 24 . VAL . 5360 1 25 . ALA . 5360 1 26 . SER . 5360 1 27 . VAL . 5360 1 28 . GLU . 5360 1 29 . LYS . 5360 1 30 . SER . 5360 1 31 . GLY . 5360 1 32 . ILE . 5360 1 33 . LEU . 5360 1 34 . TYR . 5360 1 35 . PRO . 5360 1 36 . VAL . 5360 1 37 . ILE . 5360 1 38 . VAL . 5360 1 39 . ARG . 5360 1 40 . PHE . 5360 1 41 . ASP . 5360 1 42 . ARG . 5360 1 43 . VAL . 5360 1 44 . ASN . 5360 1 45 . TYR . 5360 1 46 . ASN . 5360 1 47 . GLY . 5360 1 48 . PHE . 5360 1 49 . SER . 5360 1 50 . GLY . 5360 1 51 . SER . 5360 1 52 . ALA . 5360 1 53 . SER . 5360 1 54 . GLY . 5360 1 55 . VAL . 5360 1 56 . ASN . 5360 1 57 . THR . 5360 1 58 . ASN . 5360 1 59 . ASN . 5360 1 60 . PHE . 5360 1 61 . ALA . 5360 1 62 . GLU . 5360 1 63 . ASN . 5360 1 64 . GLU . 5360 1 65 . LEU . 5360 1 66 . GLU . 5360 1 67 . LEU . 5360 1 68 . VAL . 5360 1 69 . GLN . 5360 1 70 . ALA . 5360 1 71 . ALA . 5360 1 72 . ALA . 5360 1 73 . LYS . 5360 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 . ALA 1 1 5360 1 . LEU 2 2 5360 1 . ASN 3 3 5360 1 . ARG 4 4 5360 1 . GLY 5 5 5360 1 . ASP 6 6 5360 1 . LYS 7 7 5360 1 . VAL 8 8 5360 1 . ARG 9 9 5360 1 . ILE 10 10 5360 1 . LYS 11 11 5360 1 . ARG 12 12 5360 1 . THR 13 13 5360 1 . GLU 14 14 5360 1 . SER 15 15 5360 1 . TYR 16 16 5360 1 . TRP 17 17 5360 1 . TYR 18 18 5360 1 . GLY 19 19 5360 1 . ASP 20 20 5360 1 . VAL 21 21 5360 1 . GLY 22 22 5360 1 . THR 23 23 5360 1 . VAL 24 24 5360 1 . ALA 25 25 5360 1 . SER 26 26 5360 1 . VAL 27 27 5360 1 . GLU 28 28 5360 1 . LYS 29 29 5360 1 . SER 30 30 5360 1 . GLY 31 31 5360 1 . ILE 32 32 5360 1 . LEU 33 33 5360 1 . TYR 34 34 5360 1 . PRO 35 35 5360 1 . VAL 36 36 5360 1 . ILE 37 37 5360 1 . VAL 38 38 5360 1 . ARG 39 39 5360 1 . PHE 40 40 5360 1 . ASP 41 41 5360 1 . ARG 42 42 5360 1 . VAL 43 43 5360 1 . ASN 44 44 5360 1 . TYR 45 45 5360 1 . ASN 46 46 5360 1 . GLY 47 47 5360 1 . PHE 48 48 5360 1 . SER 49 49 5360 1 . GLY 50 50 5360 1 . SER 51 51 5360 1 . ALA 52 52 5360 1 . SER 53 53 5360 1 . GLY 54 54 5360 1 . VAL 55 55 5360 1 . ASN 56 56 5360 1 . THR 57 57 5360 1 . ASN 58 58 5360 1 . ASN 59 59 5360 1 . PHE 60 60 5360 1 . ALA 61 61 5360 1 . GLU 62 62 5360 1 . ASN 63 63 5360 1 . GLU 64 64 5360 1 . LEU 65 65 5360 1 . GLU 66 66 5360 1 . LEU 67 67 5360 1 . VAL 68 68 5360 1 . GLN 69 69 5360 1 . ALA 70 70 5360 1 . ALA 71 71 5360 1 . ALA 72 72 5360 1 . LYS 73 73 5360 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 5360 _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 $PsaE . 1148 . . 'Synechocystis sp' . . . Eubacteria . Synechocystis sp 'PCC 6803' . . . . . . . . . . . . . . . . . . . . 5360 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 5360 _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 $PsaE . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5360 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5360 _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 . 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 'Photosystem I reaction center subunit E' . . . 1 $PsaE . . 0.5 . . mM . . . . 5360 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5360 _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 5.3 0.2 n/a 5360 1 temperature 293 1 K 5360 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 5360 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 5360 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer3 _NMR_spectrometer.Entry_ID 5360 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5360 _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 NMR_spectrometer1 Bruker DRX . 500 . . . 5360 1 2 NMR_spectrometer2 Bruker DRX . 600 . . . 5360 1 3 NMR_spectrometer3 Bruker DRX . 800 . . . 5360 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 5360 _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 HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5360 1 2 HMQC-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5360 1 3 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5360 1 4 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5360 1 5 NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5360 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5360 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5360 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HMQC-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5360 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5360 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5360 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5360 _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 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct . internal cylindrical parallel_to_Bo . . . . . . 5360 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5360 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 HSQC . . . 5360 1 2 HMQC-COSY . . . 5360 1 3 TOCSY . . . 5360 1 4 NOESY . . . 5360 1 5 NOESY-HSQC . . . 5360 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 ALA HA H 1 4.18 0.005 . . . . . . . . . . 5360 1 2 . 1 1 1 1 ALA HB1 H 1 1.49 0.005 . . . . . . . . . . 5360 1 3 . 1 1 1 1 ALA HB2 H 1 1.49 0.005 . . . . . . . . . . 5360 1 4 . 1 1 1 1 ALA HB3 H 1 1.49 0.005 . . . . . . . . . . 5360 1 5 . 1 1 2 2 LEU H H 1 8.60 0.005 . . . . . . . . . . 5360 1 6 . 1 1 2 2 LEU HA H 1 4.51 0.005 . . . . . . . . . . 5360 1 7 . 1 1 2 2 LEU HB2 H 1 1.64 0.005 . . . . . . . . . . 5360 1 8 . 1 1 2 2 LEU HB3 H 1 1.54 0.005 . . . . . . . . . . 5360 1 9 . 1 1 2 2 LEU HG H 1 1.22 0.005 . . . . . . . . . . 5360 1 10 . 1 1 2 2 LEU HD11 H 1 0.83 0.005 . . . . . . . . . . 5360 1 11 . 1 1 2 2 LEU HD12 H 1 0.83 0.005 . . . . . . . . . . 5360 1 12 . 1 1 2 2 LEU HD13 H 1 0.83 0.005 . . . . . . . . . . 5360 1 13 . 1 1 2 2 LEU HD21 H 1 0.7 0.005 . . . . . . . . . . 5360 1 14 . 1 1 2 2 LEU HD22 H 1 0.7 0.005 . . . . . . . . . . 5360 1 15 . 1 1 2 2 LEU HD23 H 1 0.7 0.005 . . . . . . . . . . 5360 1 16 . 1 1 3 3 ASN H H 1 9.07 0.005 . . . . . . . . . . 5360 1 17 . 1 1 3 3 ASN HA H 1 4.84 0.005 . . . . . . . . . . 5360 1 18 . 1 1 3 3 ASN HB2 H 1 2.58 0.005 . . . . . . . . . . 5360 1 19 . 1 1 3 3 ASN HB3 H 1 2.54 0.005 . . . . . . . . . . 5360 1 20 . 1 1 3 3 ASN HD21 H 1 6.95 0.005 . . . . . . . . . . 5360 1 21 . 1 1 3 3 ASN HD22 H 1 8.09 0.005 . . . . . . . . . . 5360 1 22 . 1 1 4 4 ARG H H 1 8.53 0.005 . . . . . . . . . . 5360 1 23 . 1 1 4 4 ARG HA H 1 3.52 0.005 . . . . . . . . . . 5360 1 24 . 1 1 4 4 ARG HB2 H 1 1.65 0.005 . . . . . . . . . . 5360 1 25 . 1 1 4 4 ARG HB3 H 1 1.60 0.005 . . . . . . . . . . 5360 1 26 . 1 1 4 4 ARG HG2 H 1 1.36 0.005 . . . . . . . . . . 5360 1 27 . 1 1 4 4 ARG HG3 H 1 1.36 0.005 . . . . . . . . . . 5360 1 28 . 1 1 4 4 ARG HD2 H 1 3.22 0.005 . . . . . . . . . . 5360 1 29 . 1 1 4 4 ARG HD3 H 1 3.18 0.005 . . . . . . . . . . 5360 1 30 . 1 1 5 5 GLY H H 1 9.16 0.005 . . . . . . . . . . 5360 1 31 . 1 1 5 5 GLY HA2 H 1 4.42 0.005 . . . . . . . . . . 5360 1 32 . 1 1 5 5 GLY HA3 H 1 3.34 0.005 . . . . . . . . . . 5360 1 33 . 1 1 6 6 ASP H H 1 8.14 0.005 . . . . . . . . . . 5360 1 34 . 1 1 6 6 ASP HA H 1 4.51 0.005 . . . . . . . . . . 5360 1 35 . 1 1 6 6 ASP HB2 H 1 2.66 0.005 . . . . . . . . . . 5360 1 36 . 1 1 6 6 ASP HB3 H 1 2.26 0.005 . . . . . . . . . . 5360 1 37 . 1 1 7 7 LYS H H 1 8.85 0.005 . . . . . . . . . . 5360 1 38 . 1 1 7 7 LYS HA H 1 5.28 0.005 . . . . . . . . . . 5360 1 39 . 1 1 7 7 LYS HB2 H 1 1.8 0.005 . . . . . . . . . . 5360 1 40 . 1 1 7 7 LYS HB3 H 1 1.44 0.005 . . . . . . . . . . 5360 1 41 . 1 1 7 7 LYS HG2 H 1 1.36 0.005 . . . . . . . . . . 5360 1 42 . 1 1 7 7 LYS HG3 H 1 1.36 0.005 . . . . . . . . . . 5360 1 43 . 1 1 7 7 LYS HD2 H 1 1.55 0.005 . . . . . . . . . . 5360 1 44 . 1 1 7 7 LYS HD3 H 1 1.50 0.005 . . . . . . . . . . 5360 1 45 . 1 1 7 7 LYS HE2 H 1 2.82 0.005 . . . . . . . . . . 5360 1 46 . 1 1 7 7 LYS HE3 H 1 2.82 0.005 . . . . . . . . . . 5360 1 47 . 1 1 8 8 VAL H H 1 8.80 0.005 . . . . . . . . . . 5360 1 48 . 1 1 8 8 VAL HA H 1 5.27 0.005 . . . . . . . . . . 5360 1 49 . 1 1 8 8 VAL HB H 1 1.67 0.005 . . . . . . . . . . 5360 1 50 . 1 1 8 8 VAL HG11 H 1 0.61 0.005 . . . . . . . . . . 5360 1 51 . 1 1 8 8 VAL HG12 H 1 0.61 0.005 . . . . . . . . . . 5360 1 52 . 1 1 8 8 VAL HG13 H 1 0.61 0.005 . . . . . . . . . . 5360 1 53 . 1 1 8 8 VAL HG21 H 1 0.46 0.005 . . . . . . . . . . 5360 1 54 . 1 1 8 8 VAL HG22 H 1 0.46 0.005 . . . . . . . . . . 5360 1 55 . 1 1 8 8 VAL HG23 H 1 0.46 0.005 . . . . . . . . . . 5360 1 56 . 1 1 9 9 ARG H H 1 9.56 0.005 . . . . . . . . . . 5360 1 57 . 1 1 9 9 ARG HA H 1 5.22 0.005 . . . . . . . . . . 5360 1 58 . 1 1 9 9 ARG HB2 H 1 1.64 0.005 . . . . . . . . . . 5360 1 59 . 1 1 9 9 ARG HB3 H 1 1.60 0.005 . . . . . . . . . . 5360 1 60 . 1 1 9 9 ARG HG2 H 1 1.10 0.005 . . . . . . . . . . 5360 1 61 . 1 1 9 9 ARG HG3 H 1 1.20 0.005 . . . . . . . . . . 5360 1 62 . 1 1 9 9 ARG HD2 H 1 3.00 0.005 . . . . . . . . . . 5360 1 63 . 1 1 9 9 ARG HD3 H 1 3.10 0.005 . . . . . . . . . . 5360 1 64 . 1 1 10 10 ILE H H 1 8.10 0.005 . . . . . . . . . . 5360 1 65 . 1 1 10 10 ILE HA H 1 3.82 0.005 . . . . . . . . . . 5360 1 66 . 1 1 10 10 ILE HB H 1 2.58 0.005 . . . . . . . . . . 5360 1 67 . 1 1 10 10 ILE HG12 H 1 1.02 0.005 . . . . . . . . . . 5360 1 68 . 1 1 10 10 ILE HG13 H 1 1.78 0.005 . . . . . . . . . . 5360 1 69 . 1 1 10 10 ILE HG21 H 1 0.97 0.005 . . . . . . . . . . 5360 1 70 . 1 1 10 10 ILE HG22 H 1 0.97 0.005 . . . . . . . . . . 5360 1 71 . 1 1 10 10 ILE HG23 H 1 0.97 0.005 . . . . . . . . . . 5360 1 72 . 1 1 11 11 LYS H H 1 8.95 0.005 . . . . . . . . . . 5360 1 73 . 1 1 11 11 LYS HA H 1 4.60 0.005 . . . . . . . . . . 5360 1 74 . 1 1 11 11 LYS HB2 H 1 2.08 0.005 . . . . . . . . . . 5360 1 75 . 1 1 11 11 LYS HB3 H 1 1.55 0.005 . . . . . . . . . . 5360 1 76 . 1 1 11 11 LYS HG2 H 1 1.30 0.005 . . . . . . . . . . 5360 1 77 . 1 1 11 11 LYS HG3 H 1 1.30 0.005 . . . . . . . . . . 5360 1 78 . 1 1 11 11 LYS HD2 H 1 1.50 0.005 . . . . . . . . . . 5360 1 79 . 1 1 11 11 LYS HD3 H 1 1.50 0.005 . . . . . . . . . . 5360 1 80 . 1 1 11 11 LYS HE2 H 1 2.94 0.005 . . . . . . . . . . 5360 1 81 . 1 1 11 11 LYS HE3 H 1 2.79 0.005 . . . . . . . . . . 5360 1 82 . 1 1 12 12 ARG H H 1 6.62 0.005 . . . . . . . . . . 5360 1 83 . 1 1 12 12 ARG HA H 1 4.64 0.005 . . . . . . . . . . 5360 1 84 . 1 1 12 12 ARG HB2 H 1 1.84 0.005 . . . . . . . . . . 5360 1 85 . 1 1 12 12 ARG HB3 H 1 1.54 0.005 . . . . . . . . . . 5360 1 86 . 1 1 12 12 ARG HG2 H 1 2.13 0.005 . . . . . . . . . . 5360 1 87 . 1 1 12 12 ARG HG3 H 1 2.01 0.005 . . . . . . . . . . 5360 1 88 . 1 1 12 12 ARG HD2 H 1 3.06 0.005 . . . . . . . . . . 5360 1 89 . 1 1 12 12 ARG HD3 H 1 3.45 0.005 . . . . . . . . . . 5360 1 90 . 1 1 13 13 THR H H 1 8.52 0.005 . . . . . . . . . . 5360 1 91 . 1 1 13 13 THR HA H 1 3.76 0.005 . . . . . . . . . . 5360 1 92 . 1 1 13 13 THR HB H 1 2.91 0.005 . . . . . . . . . . 5360 1 93 . 1 1 13 13 THR HG21 H 1 0.91 0.005 . . . . . . . . . . 5360 1 94 . 1 1 13 13 THR HG22 H 1 0.91 0.005 . . . . . . . . . . 5360 1 95 . 1 1 13 13 THR HG23 H 1 0.91 0.005 . . . . . . . . . . 5360 1 96 . 1 1 14 14 GLU H H 1 8.65 0.005 . . . . . . . . . . 5360 1 97 . 1 1 14 14 GLU HA H 1 4.18 0.005 . . . . . . . . . . 5360 1 98 . 1 1 14 14 GLU HB2 H 1 1.97 0.005 . . . . . . . . . . 5360 1 99 . 1 1 14 14 GLU HB3 H 1 1.87 0.005 . . . . . . . . . . 5360 1 100 . 1 1 14 14 GLU HG2 H 1 2.18 0.005 . . . . . . . . . . 5360 1 101 . 1 1 14 14 GLU HG3 H 1 2.03 0.005 . . . . . . . . . . 5360 1 102 . 1 1 15 15 SER H H 1 7.57 0.005 . . . . . . . . . . 5360 1 103 . 1 1 15 15 SER HA H 1 4.39 0.005 . . . . . . . . . . 5360 1 104 . 1 1 15 15 SER HB2 H 1 3.98 0.005 . . . . . . . . . . 5360 1 105 . 1 1 15 15 SER HB3 H 1 3.92 0.005 . . . . . . . . . . 5360 1 106 . 1 1 16 16 TYR H H 1 9.08 0.005 . . . . . . . . . . 5360 1 107 . 1 1 16 16 TYR HA H 1 3.91 0.005 . . . . . . . . . . 5360 1 108 . 1 1 16 16 TYR HB2 H 1 2.63 0.005 . . . . . . . . . . 5360 1 109 . 1 1 16 16 TYR HB3 H 1 1.38 0.005 . . . . . . . . . . 5360 1 110 . 1 1 16 16 TYR HD1 H 1 5.56 0.005 . . . . . . . . . . 5360 1 111 . 1 1 16 16 TYR HD2 H 1 5.56 0.005 . . . . . . . . . . 5360 1 112 . 1 1 16 16 TYR HE1 H 1 6.23 0.005 . . . . . . . . . . 5360 1 113 . 1 1 16 16 TYR HE2 H 1 6.23 0.005 . . . . . . . . . . 5360 1 114 . 1 1 17 17 TRP H H 1 8.00 0.005 . . . . . . . . . . 5360 1 115 . 1 1 17 17 TRP HA H 1 4.16 0.005 . . . . . . . . . . 5360 1 116 . 1 1 17 17 TRP HB2 H 1 2.95 0.005 . . . . . . . . . . 5360 1 117 . 1 1 17 17 TRP HB3 H 1 2.25 0.005 . . . . . . . . . . 5360 1 118 . 1 1 17 17 TRP HD1 H 1 7.02 0.005 . . . . . . . . . . 5360 1 119 . 1 1 17 17 TRP HE1 H 1 10.35 0.005 . . . . . . . . . . 5360 1 120 . 1 1 17 17 TRP HE3 H 1 7.25 0.005 . . . . . . . . . . 5360 1 121 . 1 1 17 17 TRP HZ2 H 1 7.55 0.005 . . . . . . . . . . 5360 1 122 . 1 1 17 17 TRP HZ3 H 1 7.55 0.005 . . . . . . . . . . 5360 1 123 . 1 1 17 17 TRP HH2 H 1 6.99 0.005 . . . . . . . . . . 5360 1 124 . 1 1 18 18 TYR H H 1 7.41 0.005 . . . . . . . . . . 5360 1 125 . 1 1 18 18 TYR HA H 1 3.83 0.005 . . . . . . . . . . 5360 1 126 . 1 1 18 18 TYR HB2 H 1 3.66 0.005 . . . . . . . . . . 5360 1 127 . 1 1 18 18 TYR HB3 H 1 2.58 0.005 . . . . . . . . . . 5360 1 128 . 1 1 18 18 TYR HD1 H 1 6.86 0.005 . . . . . . . . . . 5360 1 129 . 1 1 18 18 TYR HD2 H 1 6.86 0.005 . . . . . . . . . . 5360 1 130 . 1 1 18 18 TYR HE1 H 1 6.73 0.005 . . . . . . . . . . 5360 1 131 . 1 1 18 18 TYR HE2 H 1 6.73 0.005 . . . . . . . . . . 5360 1 132 . 1 1 19 19 GLY H H 1 8.36 0.005 . . . . . . . . . . 5360 1 133 . 1 1 19 19 GLY HA2 H 1 3.10 0.005 . . . . . . . . . . 5360 1 134 . 1 1 19 19 GLY HA3 H 1 3.85 0.005 . . . . . . . . . . 5360 1 135 . 1 1 20 20 ASP H H 1 8.61 0.005 . . . . . . . . . . 5360 1 136 . 1 1 20 20 ASP HA H 1 4.75 0.005 . . . . . . . . . . 5360 1 137 . 1 1 20 20 ASP HB2 H 1 2.98 0.005 . . . . . . . . . . 5360 1 138 . 1 1 20 20 ASP HB3 H 1 2.75 0.005 . . . . . . . . . . 5360 1 139 . 1 1 21 21 VAL H H 1 8.66 0.005 . . . . . . . . . . 5360 1 140 . 1 1 21 21 VAL HA H 1 5.04 0.005 . . . . . . . . . . 5360 1 141 . 1 1 21 21 VAL HB H 1 1.88 0.005 . . . . . . . . . . 5360 1 142 . 1 1 21 21 VAL HG11 H 1 0.84 0.005 . . . . . . . . . . 5360 1 143 . 1 1 21 21 VAL HG12 H 1 0.84 0.005 . . . . . . . . . . 5360 1 144 . 1 1 21 21 VAL HG13 H 1 0.84 0.005 . . . . . . . . . . 5360 1 145 . 1 1 21 21 VAL HG21 H 1 0.69 0.005 . . . . . . . . . . 5360 1 146 . 1 1 21 21 VAL HG22 H 1 0.69 0.005 . . . . . . . . . . 5360 1 147 . 1 1 21 21 VAL HG23 H 1 0.69 0.005 . . . . . . . . . . 5360 1 148 . 1 1 22 22 GLY H H 1 9.00 0.005 . . . . . . . . . . 5360 1 149 . 1 1 22 22 GLY HA2 H 1 4.57 0.005 . . . . . . . . . . 5360 1 150 . 1 1 22 22 GLY HA3 H 1 2.82 0.005 . . . . . . . . . . 5360 1 151 . 1 1 23 23 THR H H 1 8.32 0.005 . . . . . . . . . . 5360 1 152 . 1 1 23 23 THR HA H 1 4.94 0.005 . . . . . . . . . . 5360 1 153 . 1 1 23 23 THR HB H 1 3.57 0.005 . . . . . . . . . . 5360 1 154 . 1 1 23 23 THR HG21 H 1 0.96 0.005 . . . . . . . . . . 5360 1 155 . 1 1 23 23 THR HG22 H 1 0.96 0.005 . . . . . . . . . . 5360 1 156 . 1 1 23 23 THR HG23 H 1 0.96 0.005 . . . . . . . . . . 5360 1 157 . 1 1 24 24 VAL H H 1 9.44 0.005 . . . . . . . . . . 5360 1 158 . 1 1 24 24 VAL HA H 1 3.63 0.005 . . . . . . . . . . 5360 1 159 . 1 1 24 24 VAL HB H 1 2.25 0.005 . . . . . . . . . . 5360 1 160 . 1 1 24 24 VAL HG11 H 1 0.79 0.005 . . . . . . . . . . 5360 1 161 . 1 1 24 24 VAL HG12 H 1 0.79 0.005 . . . . . . . . . . 5360 1 162 . 1 1 24 24 VAL HG13 H 1 0.79 0.005 . . . . . . . . . . 5360 1 163 . 1 1 24 24 VAL HG21 H 1 0.47 0.005 . . . . . . . . . . 5360 1 164 . 1 1 24 24 VAL HG22 H 1 0.47 0.005 . . . . . . . . . . 5360 1 165 . 1 1 24 24 VAL HG23 H 1 0.47 0.005 . . . . . . . . . . 5360 1 166 . 1 1 25 25 ALA H H 1 9.83 0.005 . . . . . . . . . . 5360 1 167 . 1 1 25 25 ALA HA H 1 4.37 0.005 . . . . . . . . . . 5360 1 168 . 1 1 25 25 ALA HB1 H 1 1.22 0.005 . . . . . . . . . . 5360 1 169 . 1 1 25 25 ALA HB2 H 1 1.22 0.005 . . . . . . . . . . 5360 1 170 . 1 1 25 25 ALA HB3 H 1 1.22 0.005 . . . . . . . . . . 5360 1 171 . 1 1 26 26 SER H H 1 7.67 0.005 . . . . . . . . . . 5360 1 172 . 1 1 26 26 SER HA H 1 4.28 0.005 . . . . . . . . . . 5360 1 173 . 1 1 26 26 SER HB2 H 1 3.77 0.005 . . . . . . . . . . 5360 1 174 . 1 1 26 26 SER HB3 H 1 3.68 0.005 . . . . . . . . . . 5360 1 175 . 1 1 27 27 VAL H H 1 8.40 0.005 . . . . . . . . . . 5360 1 176 . 1 1 27 27 VAL HA H 1 4.68 0.005 . . . . . . . . . . 5360 1 177 . 1 1 27 27 VAL HB H 1 1.88 0.005 . . . . . . . . . . 5360 1 178 . 1 1 27 27 VAL HG11 H 1 0.85 0.005 . . . . . . . . . . 5360 1 179 . 1 1 27 27 VAL HG12 H 1 0.85 0.005 . . . . . . . . . . 5360 1 180 . 1 1 27 27 VAL HG13 H 1 0.85 0.005 . . . . . . . . . . 5360 1 181 . 1 1 27 27 VAL HG21 H 1 0.7 0.005 . . . . . . . . . . 5360 1 182 . 1 1 27 27 VAL HG22 H 1 0.7 0.005 . . . . . . . . . . 5360 1 183 . 1 1 27 27 VAL HG23 H 1 0.7 0.005 . . . . . . . . . . 5360 1 184 . 1 1 28 28 GLU H H 1 9.44 0.005 . . . . . . . . . . 5360 1 185 . 1 1 28 28 GLU HA H 1 4.35 0.005 . . . . . . . . . . 5360 1 186 . 1 1 28 28 GLU HB2 H 1 1.94 0.005 . . . . . . . . . . 5360 1 187 . 1 1 28 28 GLU HB3 H 1 1.97 0.005 . . . . . . . . . . 5360 1 188 . 1 1 28 28 GLU HG2 H 1 2.31 0.005 . . . . . . . . . . 5360 1 189 . 1 1 28 28 GLU HG3 H 1 2.20 0.005 . . . . . . . . . . 5360 1 190 . 1 1 29 29 LYS H H 1 8.67 0.005 . . . . . . . . . . 5360 1 191 . 1 1 29 29 LYS HA H 1 4.33 0.005 . . . . . . . . . . 5360 1 192 . 1 1 29 29 LYS HB2 H 1 1.96 0.005 . . . . . . . . . . 5360 1 193 . 1 1 29 29 LYS HB3 H 1 1.70 0.005 . . . . . . . . . . 5360 1 194 . 1 1 29 29 LYS HG2 H 1 1.43 0.005 . . . . . . . . . . 5360 1 195 . 1 1 29 29 LYS HG3 H 1 1.47 0.005 . . . . . . . . . . 5360 1 196 . 1 1 29 29 LYS HD2 H 1 1.60 0.005 . . . . . . . . . . 5360 1 197 . 1 1 29 29 LYS HD3 H 1 1.74 0.005 . . . . . . . . . . 5360 1 198 . 1 1 29 29 LYS HE2 H 1 2.97 0.005 . . . . . . . . . . 5360 1 199 . 1 1 29 29 LYS HE3 H 1 2.97 0.005 . . . . . . . . . . 5360 1 200 . 1 1 30 30 SER H H 1 7.81 0.005 . . . . . . . . . . 5360 1 201 . 1 1 30 30 SER HA H 1 4.32 0.005 . . . . . . . . . . 5360 1 202 . 1 1 30 30 SER HB2 H 1 3.94 0.005 . . . . . . . . . . 5360 1 203 . 1 1 30 30 SER HB3 H 1 3.84 0.005 . . . . . . . . . . 5360 1 204 . 1 1 31 31 GLY H H 1 8.77 0.005 . . . . . . . . . . 5360 1 205 . 1 1 31 31 GLY HA2 H 1 4.07 0.005 . . . . . . . . . . 5360 1 206 . 1 1 31 31 GLY HA3 H 1 3.76 0.005 . . . . . . . . . . 5360 1 207 . 1 1 32 32 ILE H H 1 7.15 0.005 . . . . . . . . . . 5360 1 208 . 1 1 32 32 ILE HA H 1 4.18 0.005 . . . . . . . . . . 5360 1 209 . 1 1 32 32 ILE HB H 1 2.00 0.005 . . . . . . . . . . 5360 1 210 . 1 1 32 32 ILE HG12 H 1 1.03 0.005 . . . . . . . . . . 5360 1 211 . 1 1 32 32 ILE HG13 H 1 1.03 0.005 . . . . . . . . . . 5360 1 212 . 1 1 32 32 ILE HG21 H 1 0.84 0.005 . . . . . . . . . . 5360 1 213 . 1 1 32 32 ILE HG22 H 1 0.84 0.005 . . . . . . . . . . 5360 1 214 . 1 1 32 32 ILE HG23 H 1 0.84 0.005 . . . . . . . . . . 5360 1 215 . 1 1 32 32 ILE HD11 H 1 0.75 0.005 . . . . . . . . . . 5360 1 216 . 1 1 32 32 ILE HD12 H 1 0.75 0.005 . . . . . . . . . . 5360 1 217 . 1 1 32 32 ILE HD13 H 1 0.75 0.005 . . . . . . . . . . 5360 1 218 . 1 1 33 33 LEU H H 1 8.19 0.005 . . . . . . . . . . 5360 1 219 . 1 1 33 33 LEU HA H 1 3.81 0.005 . . . . . . . . . . 5360 1 220 . 1 1 33 33 LEU HB2 H 1 1.26 0.005 . . . . . . . . . . 5360 1 221 . 1 1 33 33 LEU HB3 H 1 1.11 0.005 . . . . . . . . . . 5360 1 222 . 1 1 33 33 LEU HG H 1 0.9 0.005 . . . . . . . . . . 5360 1 223 . 1 1 33 33 LEU HD11 H 1 0.74 0.005 . . . . . . . . . . 5360 1 224 . 1 1 33 33 LEU HD12 H 1 0.74 0.005 . . . . . . . . . . 5360 1 225 . 1 1 33 33 LEU HD13 H 1 0.74 0.005 . . . . . . . . . . 5360 1 226 . 1 1 33 33 LEU HD21 H 1 0.64 0.005 . . . . . . . . . . 5360 1 227 . 1 1 33 33 LEU HD22 H 1 0.64 0.005 . . . . . . . . . . 5360 1 228 . 1 1 33 33 LEU HD23 H 1 0.64 0.005 . . . . . . . . . . 5360 1 229 . 1 1 34 34 TYR H H 1 7.74 0.005 . . . . . . . . . . 5360 1 230 . 1 1 34 34 TYR HA H 1 4.68 0.005 . . . . . . . . . . 5360 1 231 . 1 1 34 34 TYR HB2 H 1 2.82 0.005 . . . . . . . . . . 5360 1 232 . 1 1 34 34 TYR HB3 H 1 2.22 0.005 . . . . . . . . . . 5360 1 233 . 1 1 34 34 TYR HD1 H 1 7.11 0.005 . . . . . . . . . . 5360 1 234 . 1 1 34 34 TYR HD2 H 1 7.11 0.005 . . . . . . . . . . 5360 1 235 . 1 1 34 34 TYR HE1 H 1 6.84 0.005 . . . . . . . . . . 5360 1 236 . 1 1 34 34 TYR HE2 H 1 6.84 0.005 . . . . . . . . . . 5360 1 237 . 1 1 35 35 PRO HA H 1 4.67 0.005 . . . . . . . . . . 5360 1 238 . 1 1 35 35 PRO HB2 H 1 2.22 0.005 . . . . . . . . . . 5360 1 239 . 1 1 35 35 PRO HB3 H 1 2.12 0.005 . . . . . . . . . . 5360 1 240 . 1 1 35 35 PRO HG2 H 1 1.96 0.005 . . . . . . . . . . 5360 1 241 . 1 1 35 35 PRO HG3 H 1 2.02 0.005 . . . . . . . . . . 5360 1 242 . 1 1 35 35 PRO HD2 H 1 3.67 0.005 . . . . . . . . . . 5360 1 243 . 1 1 35 35 PRO HD3 H 1 3.87 0.005 . . . . . . . . . . 5360 1 244 . 1 1 36 36 VAL H H 1 8.83 0.005 . . . . . . . . . . 5360 1 245 . 1 1 36 36 VAL HA H 1 4.36 0.005 . . . . . . . . . . 5360 1 246 . 1 1 36 36 VAL HB H 1 2.11 0.005 . . . . . . . . . . 5360 1 247 . 1 1 36 36 VAL HG11 H 1 0.87 0.005 . . . . . . . . . . 5360 1 248 . 1 1 36 36 VAL HG12 H 1 0.87 0.005 . . . . . . . . . . 5360 1 249 . 1 1 36 36 VAL HG13 H 1 0.87 0.005 . . . . . . . . . . 5360 1 250 . 1 1 36 36 VAL HG21 H 1 0.7 0.005 . . . . . . . . . . 5360 1 251 . 1 1 36 36 VAL HG22 H 1 0.7 0.005 . . . . . . . . . . 5360 1 252 . 1 1 36 36 VAL HG23 H 1 0.7 0.005 . . . . . . . . . . 5360 1 253 . 1 1 37 37 ILE H H 1 8.86 0.005 . . . . . . . . . . 5360 1 254 . 1 1 37 37 ILE HA H 1 4.40 0.005 . . . . . . . . . . 5360 1 255 . 1 1 37 37 ILE HB H 1 1.87 0.005 . . . . . . . . . . 5360 1 256 . 1 1 37 37 ILE HG12 H 1 0.95 0.005 . . . . . . . . . . 5360 1 257 . 1 1 37 37 ILE HG13 H 1 1.53 0.005 . . . . . . . . . . 5360 1 258 . 1 1 37 37 ILE HG21 H 1 0.67 0.005 . . . . . . . . . . 5360 1 259 . 1 1 37 37 ILE HG22 H 1 0.67 0.005 . . . . . . . . . . 5360 1 260 . 1 1 37 37 ILE HG23 H 1 0.67 0.005 . . . . . . . . . . 5360 1 261 . 1 1 37 37 ILE HD11 H 1 0.77 0.005 . . . . . . . . . . 5360 1 262 . 1 1 37 37 ILE HD12 H 1 0.77 0.005 . . . . . . . . . . 5360 1 263 . 1 1 37 37 ILE HD13 H 1 0.77 0.005 . . . . . . . . . . 5360 1 264 . 1 1 38 38 VAL H H 1 8.81 0.005 . . . . . . . . . . 5360 1 265 . 1 1 38 38 VAL HA H 1 4.20 0.005 . . . . . . . . . . 5360 1 266 . 1 1 38 38 VAL HB H 1 1.60 0.005 . . . . . . . . . . 5360 1 267 . 1 1 38 38 VAL HG11 H 1 0.65 0.005 . . . . . . . . . . 5360 1 268 . 1 1 38 38 VAL HG12 H 1 0.65 0.005 . . . . . . . . . . 5360 1 269 . 1 1 38 38 VAL HG13 H 1 0.65 0.005 . . . . . . . . . . 5360 1 270 . 1 1 39 39 ARG H H 1 8.65 0.005 . . . . . . . . . . 5360 1 271 . 1 1 39 39 ARG HA H 1 4.80 0.005 . . . . . . . . . . 5360 1 272 . 1 1 39 39 ARG HB2 H 1 1.54 0.005 . . . . . . . . . . 5360 1 273 . 1 1 39 39 ARG HB3 H 1 1.40 0.005 . . . . . . . . . . 5360 1 274 . 1 1 39 39 ARG HG2 H 1 1.47 0.005 . . . . . . . . . . 5360 1 275 . 1 1 39 39 ARG HG3 H 1 1.47 0.005 . . . . . . . . . . 5360 1 276 . 1 1 39 39 ARG HD2 H 1 3.08 0.005 . . . . . . . . . . 5360 1 277 . 1 1 39 39 ARG HD3 H 1 3.08 0.005 . . . . . . . . . . 5360 1 278 . 1 1 40 40 PHE H H 1 8.86 0.005 . . . . . . . . . . 5360 1 279 . 1 1 40 40 PHE HA H 1 4.78 0.005 . . . . . . . . . . 5360 1 280 . 1 1 40 40 PHE HB2 H 1 3.33 0.005 . . . . . . . . . . 5360 1 281 . 1 1 40 40 PHE HB3 H 1 2.30 0.005 . . . . . . . . . . 5360 1 282 . 1 1 40 40 PHE HD1 H 1 6.31 0.005 . . . . . . . . . . 5360 1 283 . 1 1 40 40 PHE HD2 H 1 6.31 0.005 . . . . . . . . . . 5360 1 284 . 1 1 40 40 PHE HE1 H 1 6.39 0.005 . . . . . . . . . . 5360 1 285 . 1 1 40 40 PHE HE2 H 1 6.39 0.005 . . . . . . . . . . 5360 1 286 . 1 1 40 40 PHE HZ H 1 6.59 0.005 . . . . . . . . . . 5360 1 287 . 1 1 41 41 ASP H H 1 8.86 0.005 . . . . . . . . . . 5360 1 288 . 1 1 41 41 ASP HA H 1 4.63 0.005 . . . . . . . . . . 5360 1 289 . 1 1 41 41 ASP HB2 H 1 2.77 0.005 . . . . . . . . . . 5360 1 290 . 1 1 41 41 ASP HB3 H 1 2.63 0.005 . . . . . . . . . . 5360 1 291 . 1 1 42 42 ARG H H 1 8.07 0.005 . . . . . . . . . . 5360 1 292 . 1 1 42 42 ARG HA H 1 4.50 0.005 . . . . . . . . . . 5360 1 293 . 1 1 42 42 ARG HB2 H 1 1.97 0.005 . . . . . . . . . . 5360 1 294 . 1 1 42 42 ARG HB3 H 1 1.92 0.005 . . . . . . . . . . 5360 1 295 . 1 1 42 42 ARG HG2 H 1 1.79 0.005 . . . . . . . . . . 5360 1 296 . 1 1 42 42 ARG HG3 H 1 1.56 0.005 . . . . . . . . . . 5360 1 297 . 1 1 42 42 ARG HD2 H 1 3.28 0.005 . . . . . . . . . . 5360 1 298 . 1 1 42 42 ARG HD3 H 1 3.16 0.005 . . . . . . . . . . 5360 1 299 . 1 1 43 43 VAL H H 1 8.50 0.005 . . . . . . . . . . 5360 1 300 . 1 1 43 43 VAL HA H 1 4.02 0.005 . . . . . . . . . . 5360 1 301 . 1 1 43 43 VAL HB H 1 1.74 0.005 . . . . . . . . . . 5360 1 302 . 1 1 43 43 VAL HG11 H 1 0.89 0.005 . . . . . . . . . . 5360 1 303 . 1 1 43 43 VAL HG12 H 1 0.89 0.005 . . . . . . . . . . 5360 1 304 . 1 1 43 43 VAL HG13 H 1 0.89 0.005 . . . . . . . . . . 5360 1 305 . 1 1 43 43 VAL HG21 H 1 0.28 0.005 . . . . . . . . . . 5360 1 306 . 1 1 43 43 VAL HG22 H 1 0.28 0.005 . . . . . . . . . . 5360 1 307 . 1 1 43 43 VAL HG23 H 1 0.28 0.005 . . . . . . . . . . 5360 1 308 . 1 1 44 44 ASN H H 1 8.75 0.005 . . . . . . . . . . 5360 1 309 . 1 1 44 44 ASN HA H 1 4.20 0.005 . . . . . . . . . . 5360 1 310 . 1 1 44 44 ASN HB2 H 1 2.65 0.005 . . . . . . . . . . 5360 1 311 . 1 1 44 44 ASN HB3 H 1 1.74 0.005 . . . . . . . . . . 5360 1 312 . 1 1 44 44 ASN HD21 H 1 5.78 0.005 . . . . . . . . . . 5360 1 313 . 1 1 44 44 ASN HD22 H 1 6.52 0.005 . . . . . . . . . . 5360 1 314 . 1 1 45 45 TYR H H 1 8.64 0.005 . . . . . . . . . . 5360 1 315 . 1 1 45 45 TYR HA H 1 4.51 0.005 . . . . . . . . . . 5360 1 316 . 1 1 45 45 TYR HB2 H 1 3.18 0.005 . . . . . . . . . . 5360 1 317 . 1 1 45 45 TYR HB3 H 1 2.67 0.005 . . . . . . . . . . 5360 1 318 . 1 1 45 45 TYR HD1 H 1 7.08 0.005 . . . . . . . . . . 5360 1 319 . 1 1 45 45 TYR HD2 H 1 7.08 0.005 . . . . . . . . . . 5360 1 320 . 1 1 45 45 TYR HE1 H 1 6.76 0.005 . . . . . . . . . . 5360 1 321 . 1 1 45 45 TYR HE2 H 1 6.76 0.005 . . . . . . . . . . 5360 1 322 . 1 1 46 46 ASN H H 1 8.27 0.005 . . . . . . . . . . 5360 1 323 . 1 1 46 46 ASN HA H 1 4.47 0.005 . . . . . . . . . . 5360 1 324 . 1 1 46 46 ASN HB2 H 1 2.68 0.005 . . . . . . . . . . 5360 1 325 . 1 1 46 46 ASN HB3 H 1 2.63 0.005 . . . . . . . . . . 5360 1 326 . 1 1 46 46 ASN HD21 H 1 6.92 0.005 . . . . . . . . . . 5360 1 327 . 1 1 46 46 ASN HD22 H 1 7.56 0.005 . . . . . . . . . . 5360 1 328 . 1 1 47 47 GLY H H 1 8.22 0.005 . . . . . . . . . . 5360 1 329 . 1 1 47 47 GLY HA2 H 1 3.83 0.005 . . . . . . . . . . 5360 1 330 . 1 1 47 47 GLY HA3 H 1 3.76 0.005 . . . . . . . . . . 5360 1 331 . 1 1 48 48 PHE H H 1 8.14 0.005 . . . . . . . . . . 5360 1 332 . 1 1 48 48 PHE HA H 1 4.65 0.005 . . . . . . . . . . 5360 1 333 . 1 1 48 48 PHE HB2 H 1 3.12 0.005 . . . . . . . . . . 5360 1 334 . 1 1 48 48 PHE HB3 H 1 2.97 0.005 . . . . . . . . . . 5360 1 335 . 1 1 48 48 PHE HD1 H 1 7.23 0.005 . . . . . . . . . . 5360 1 336 . 1 1 48 48 PHE HD2 H 1 7.23 0.005 . . . . . . . . . . 5360 1 337 . 1 1 48 48 PHE HE1 H 1 7.30 0.005 . . . . . . . . . . 5360 1 338 . 1 1 48 48 PHE HE2 H 1 7.30 0.005 . . . . . . . . . . 5360 1 339 . 1 1 48 48 PHE HZ H 1 7.34 0.005 . . . . . . . . . . 5360 1 340 . 1 1 49 49 SER H H 1 8.43 0.005 . . . . . . . . . . 5360 1 341 . 1 1 49 49 SER HA H 1 4.35 0.005 . . . . . . . . . . 5360 1 342 . 1 1 49 49 SER HB2 H 1 3.81 0.005 . . . . . . . . . . 5360 1 343 . 1 1 49 49 SER HB3 H 1 3.75 0.005 . . . . . . . . . . 5360 1 344 . 1 1 50 50 GLY H H 1 8.13 0.005 . . . . . . . . . . 5360 1 345 . 1 1 50 50 GLY HA2 H 1 3.95 0.005 . . . . . . . . . . 5360 1 346 . 1 1 50 50 GLY HA3 H 1 3.85 0.005 . . . . . . . . . . 5360 1 347 . 1 1 51 51 SER H H 1 8.14 0.005 . . . . . . . . . . 5360 1 348 . 1 1 51 51 SER HA H 1 4.44 0.005 . . . . . . . . . . 5360 1 349 . 1 1 51 51 SER HB2 H 1 3.90 0.005 . . . . . . . . . . 5360 1 350 . 1 1 51 51 SER HB3 H 1 3.80 0.005 . . . . . . . . . . 5360 1 351 . 1 1 52 52 ALA H H 1 8.47 0.005 . . . . . . . . . . 5360 1 352 . 1 1 52 52 ALA HA H 1 4.40 0.005 . . . . . . . . . . 5360 1 353 . 1 1 52 52 ALA HB1 H 1 1.41 0.005 . . . . . . . . . . 5360 1 354 . 1 1 52 52 ALA HB2 H 1 1.41 0.005 . . . . . . . . . . 5360 1 355 . 1 1 52 52 ALA HB3 H 1 1.41 0.005 . . . . . . . . . . 5360 1 356 . 1 1 53 53 SER H H 1 8.19 0.005 . . . . . . . . . . 5360 1 357 . 1 1 53 53 SER HA H 1 4.50 0.005 . . . . . . . . . . 5360 1 358 . 1 1 53 53 SER HB2 H 1 3.83 0.005 . . . . . . . . . . 5360 1 359 . 1 1 53 53 SER HB3 H 1 3.76 0.005 . . . . . . . . . . 5360 1 360 . 1 1 54 54 GLY H H 1 8.15 0.005 . . . . . . . . . . 5360 1 361 . 1 1 54 54 GLY HA2 H 1 3.72 0.005 . . . . . . . . . . 5360 1 362 . 1 1 54 54 GLY HA3 H 1 3.50 0.005 . . . . . . . . . . 5360 1 363 . 1 1 55 55 VAL H H 1 8.01 0.005 . . . . . . . . . . 5360 1 364 . 1 1 55 55 VAL HA H 1 4.48 0.005 . . . . . . . . . . 5360 1 365 . 1 1 55 55 VAL HB H 1 2.16 0.005 . . . . . . . . . . 5360 1 366 . 1 1 55 55 VAL HG11 H 1 1.12 0.005 . . . . . . . . . . 5360 1 367 . 1 1 55 55 VAL HG12 H 1 1.12 0.005 . . . . . . . . . . 5360 1 368 . 1 1 55 55 VAL HG13 H 1 1.12 0.005 . . . . . . . . . . 5360 1 369 . 1 1 55 55 VAL HG21 H 1 1.03 0.005 . . . . . . . . . . 5360 1 370 . 1 1 55 55 VAL HG22 H 1 1.03 0.005 . . . . . . . . . . 5360 1 371 . 1 1 55 55 VAL HG23 H 1 1.03 0.005 . . . . . . . . . . 5360 1 372 . 1 1 56 56 ASN H H 1 8.81 0.005 . . . . . . . . . . 5360 1 373 . 1 1 56 56 ASN HA H 1 5.22 0.005 . . . . . . . . . . 5360 1 374 . 1 1 56 56 ASN HB2 H 1 3.48 0.005 . . . . . . . . . . 5360 1 375 . 1 1 56 56 ASN HB3 H 1 2.59 0.005 . . . . . . . . . . 5360 1 376 . 1 1 56 56 ASN HD21 H 1 6.73 0.005 . . . . . . . . . . 5360 1 377 . 1 1 56 56 ASN HD22 H 1 7.63 0.005 . . . . . . . . . . 5360 1 378 . 1 1 57 57 THR H H 1 7.48 0.005 . . . . . . . . . . 5360 1 379 . 1 1 57 57 THR HA H 1 5.54 0.005 . . . . . . . . . . 5360 1 380 . 1 1 57 57 THR HB H 1 3.92 0.005 . . . . . . . . . . 5360 1 381 . 1 1 57 57 THR HG21 H 1 1.02 0.005 . . . . . . . . . . 5360 1 382 . 1 1 57 57 THR HG22 H 1 1.02 0.005 . . . . . . . . . . 5360 1 383 . 1 1 57 57 THR HG23 H 1 1.02 0.005 . . . . . . . . . . 5360 1 384 . 1 1 58 58 ASN H H 1 8.70 0.005 . . . . . . . . . . 5360 1 385 . 1 1 58 58 ASN HA H 1 4.79 0.005 . . . . . . . . . . 5360 1 386 . 1 1 58 58 ASN HB2 H 1 2.72 0.005 . . . . . . . . . . 5360 1 387 . 1 1 58 58 ASN HB3 H 1 2.55 0.005 . . . . . . . . . . 5360 1 388 . 1 1 58 58 ASN HD21 H 1 7.16 0.005 . . . . . . . . . . 5360 1 389 . 1 1 58 58 ASN HD22 H 1 7.63 0.005 . . . . . . . . . . 5360 1 390 . 1 1 59 59 ASN H H 1 8.07 0.005 . . . . . . . . . . 5360 1 391 . 1 1 59 59 ASN HA H 1 5.52 0.005 . . . . . . . . . . 5360 1 392 . 1 1 59 59 ASN HB2 H 1 2.82 0.005 . . . . . . . . . . 5360 1 393 . 1 1 59 59 ASN HB3 H 1 2.48 0.005 . . . . . . . . . . 5360 1 394 . 1 1 59 59 ASN HD21 H 1 6.77 0.005 . . . . . . . . . . 5360 1 395 . 1 1 59 59 ASN HD22 H 1 7.67 0.005 . . . . . . . . . . 5360 1 396 . 1 1 60 60 PHE H H 1 9.65 0.005 . . . . . . . . . . 5360 1 397 . 1 1 60 60 PHE HA H 1 4.60 0.005 . . . . . . . . . . 5360 1 398 . 1 1 60 60 PHE HB2 H 1 3.45 0.005 . . . . . . . . . . 5360 1 399 . 1 1 60 60 PHE HB3 H 1 2.44 0.005 . . . . . . . . . . 5360 1 400 . 1 1 60 60 PHE HD1 H 1 7.14 0.005 . . . . . . . . . . 5360 1 401 . 1 1 60 60 PHE HD2 H 1 7.14 0.005 . . . . . . . . . . 5360 1 402 . 1 1 60 60 PHE HE1 H 1 7.19 0.005 . . . . . . . . . . 5360 1 403 . 1 1 60 60 PHE HE2 H 1 7.19 0.005 . . . . . . . . . . 5360 1 404 . 1 1 60 60 PHE HZ H 1 7.34 0.005 . . . . . . . . . . 5360 1 405 . 1 1 61 61 ALA H H 1 9.82 0.005 . . . . . . . . . . 5360 1 406 . 1 1 61 61 ALA HA H 1 5.03 0.005 . . . . . . . . . . 5360 1 407 . 1 1 61 61 ALA HB1 H 1 1.69 0.005 . . . . . . . . . . 5360 1 408 . 1 1 61 61 ALA HB2 H 1 1.69 0.005 . . . . . . . . . . 5360 1 409 . 1 1 61 61 ALA HB3 H 1 1.69 0.005 . . . . . . . . . . 5360 1 410 . 1 1 62 62 GLU H H 1 9.55 0.005 . . . . . . . . . . 5360 1 411 . 1 1 62 62 GLU HA H 1 3.76 0.005 . . . . . . . . . . 5360 1 412 . 1 1 62 62 GLU HB2 H 1 2.17 0.005 . . . . . . . . . . 5360 1 413 . 1 1 62 62 GLU HB3 H 1 2.04 0.005 . . . . . . . . . . 5360 1 414 . 1 1 62 62 GLU HG2 H 1 2.23 0.005 . . . . . . . . . . 5360 1 415 . 1 1 62 62 GLU HG3 H 1 2.23 0.005 . . . . . . . . . . 5360 1 416 . 1 1 63 63 ASN H H 1 8.37 0.005 . . . . . . . . . . 5360 1 417 . 1 1 63 63 ASN HA H 1 4.65 0.005 . . . . . . . . . . 5360 1 418 . 1 1 63 63 ASN HB2 H 1 3.10 0.005 . . . . . . . . . . 5360 1 419 . 1 1 63 63 ASN HB3 H 1 2.81 0.005 . . . . . . . . . . 5360 1 420 . 1 1 63 63 ASN HD21 H 1 6.80 0.005 . . . . . . . . . . 5360 1 421 . 1 1 63 63 ASN HD22 H 1 7.62 0.005 . . . . . . . . . . 5360 1 422 . 1 1 64 64 GLU H H 1 7.95 0.005 . . . . . . . . . . 5360 1 423 . 1 1 64 64 GLU HA H 1 4.50 0.005 . . . . . . . . . . 5360 1 424 . 1 1 64 64 GLU HB2 H 1 2.50 0.005 . . . . . . . . . . 5360 1 425 . 1 1 64 64 GLU HB3 H 1 2.26 0.005 . . . . . . . . . . 5360 1 426 . 1 1 64 64 GLU HG2 H 1 2.60 0.005 . . . . . . . . . . 5360 1 427 . 1 1 64 64 GLU HG3 H 1 2.70 0.005 . . . . . . . . . . 5360 1 428 . 1 1 65 65 LEU H H 1 7.52 0.005 . . . . . . . . . . 5360 1 429 . 1 1 65 65 LEU HA H 1 5.07 0.005 . . . . . . . . . . 5360 1 430 . 1 1 65 65 LEU HB2 H 1 1.88 0.005 . . . . . . . . . . 5360 1 431 . 1 1 65 65 LEU HB3 H 1 0.84 0.005 . . . . . . . . . . 5360 1 432 . 1 1 65 65 LEU HG H 1 1.77 0.005 . . . . . . . . . . 5360 1 433 . 1 1 65 65 LEU HD11 H 1 0.56 0.005 . . . . . . . . . . 5360 1 434 . 1 1 65 65 LEU HD12 H 1 0.56 0.005 . . . . . . . . . . 5360 1 435 . 1 1 65 65 LEU HD13 H 1 0.56 0.005 . . . . . . . . . . 5360 1 436 . 1 1 65 65 LEU HD21 H 1 0.32 0.005 . . . . . . . . . . 5360 1 437 . 1 1 65 65 LEU HD22 H 1 0.32 0.005 . . . . . . . . . . 5360 1 438 . 1 1 65 65 LEU HD23 H 1 0.32 0.005 . . . . . . . . . . 5360 1 439 . 1 1 66 66 GLU H H 1 8.71 0.005 . . . . . . . . . . 5360 1 440 . 1 1 66 66 GLU HA H 1 4.68 0.005 . . . . . . . . . . 5360 1 441 . 1 1 66 66 GLU HB2 H 1 1.92 0.005 . . . . . . . . . . 5360 1 442 . 1 1 66 66 GLU HB3 H 1 1.72 0.005 . . . . . . . . . . 5360 1 443 . 1 1 66 66 GLU HG2 H 1 2.14 0.005 . . . . . . . . . . 5360 1 444 . 1 1 66 66 GLU HG3 H 1 2.14 0.005 . . . . . . . . . . 5360 1 445 . 1 1 67 67 LEU H H 1 9.13 0.005 . . . . . . . . . . 5360 1 446 . 1 1 67 67 LEU HA H 1 4.22 0.005 . . . . . . . . . . 5360 1 447 . 1 1 67 67 LEU HB2 H 1 1.78 0.005 . . . . . . . . . . 5360 1 448 . 1 1 67 67 LEU HB3 H 1 1.68 0.005 . . . . . . . . . . 5360 1 449 . 1 1 67 67 LEU HG H 1 1.30 0.005 . . . . . . . . . . 5360 1 450 . 1 1 67 67 LEU HD11 H 1 0.83 0.005 . . . . . . . . . . 5360 1 451 . 1 1 67 67 LEU HD12 H 1 0.83 0.005 . . . . . . . . . . 5360 1 452 . 1 1 67 67 LEU HD13 H 1 0.83 0.005 . . . . . . . . . . 5360 1 453 . 1 1 67 67 LEU HD21 H 1 0.80 0.005 . . . . . . . . . . 5360 1 454 . 1 1 67 67 LEU HD22 H 1 0.80 0.005 . . . . . . . . . . 5360 1 455 . 1 1 67 67 LEU HD23 H 1 0.80 0.005 . . . . . . . . . . 5360 1 456 . 1 1 68 68 VAL H H 1 9.07 0.005 . . . . . . . . . . 5360 1 457 . 1 1 68 68 VAL HA H 1 4.11 0.005 . . . . . . . . . . 5360 1 458 . 1 1 68 68 VAL HB H 1 1.68 0.005 . . . . . . . . . . 5360 1 459 . 1 1 68 68 VAL HG11 H 1 0.80 0.005 . . . . . . . . . . 5360 1 460 . 1 1 68 68 VAL HG12 H 1 0.80 0.005 . . . . . . . . . . 5360 1 461 . 1 1 68 68 VAL HG13 H 1 0.80 0.005 . . . . . . . . . . 5360 1 462 . 1 1 68 68 VAL HG21 H 1 0.80 0.005 . . . . . . . . . . 5360 1 463 . 1 1 68 68 VAL HG22 H 1 0.80 0.005 . . . . . . . . . . 5360 1 464 . 1 1 68 68 VAL HG23 H 1 0.80 0.005 . . . . . . . . . . 5360 1 465 . 1 1 69 69 GLN H H 1 7.71 0.005 . . . . . . . . . . 5360 1 466 . 1 1 69 69 GLN HA H 1 4.36 0.005 . . . . . . . . . . 5360 1 467 . 1 1 69 69 GLN HB2 H 1 1.82 0.005 . . . . . . . . . . 5360 1 468 . 1 1 69 69 GLN HB3 H 1 1.25 0.005 . . . . . . . . . . 5360 1 469 . 1 1 69 69 GLN HG2 H 1 2.00 0.005 . . . . . . . . . . 5360 1 470 . 1 1 69 69 GLN HG3 H 1 2.25 0.005 . . . . . . . . . . 5360 1 471 . 1 1 69 69 GLN HE21 H 1 6.91 0.005 . . . . . . . . . . 5360 1 472 . 1 1 69 69 GLN HE22 H 1 7.69 0.005 . . . . . . . . . . 5360 1 473 . 1 1 70 70 ALA H H 1 9.04 0.005 . . . . . . . . . . 5360 1 474 . 1 1 70 70 ALA HA H 1 4.39 0.005 . . . . . . . . . . 5360 1 475 . 1 1 70 70 ALA HB1 H 1 1.36 0.005 . . . . . . . . . . 5360 1 476 . 1 1 70 70 ALA HB2 H 1 1.36 0.005 . . . . . . . . . . 5360 1 477 . 1 1 70 70 ALA HB3 H 1 1.36 0.005 . . . . . . . . . . 5360 1 478 . 1 1 71 71 ALA H H 1 9.28 0.005 . . . . . . . . . . 5360 1 479 . 1 1 71 71 ALA HA H 1 4.11 0.005 . . . . . . . . . . 5360 1 480 . 1 1 71 71 ALA HB1 H 1 1.31 0.005 . . . . . . . . . . 5360 1 481 . 1 1 71 71 ALA HB2 H 1 1.31 0.005 . . . . . . . . . . 5360 1 482 . 1 1 71 71 ALA HB3 H 1 1.31 0.005 . . . . . . . . . . 5360 1 483 . 1 1 72 72 ALA H H 1 8.38 0.005 . . . . . . . . . . 5360 1 484 . 1 1 72 72 ALA HA H 1 4.23 0.005 . . . . . . . . . . 5360 1 485 . 1 1 72 72 ALA HB1 H 1 1.31 0.005 . . . . . . . . . . 5360 1 486 . 1 1 72 72 ALA HB2 H 1 1.31 0.005 . . . . . . . . . . 5360 1 487 . 1 1 72 72 ALA HB3 H 1 1.31 0.005 . . . . . . . . . . 5360 1 488 . 1 1 73 73 LYS H H 1 8.00 0.005 . . . . . . . . . . 5360 1 489 . 1 1 73 73 LYS HA H 1 4.10 0.005 . . . . . . . . . . 5360 1 490 . 1 1 73 73 LYS HB2 H 1 1.78 0.005 . . . . . . . . . . 5360 1 491 . 1 1 73 73 LYS HB3 H 1 1.67 0.005 . . . . . . . . . . 5360 1 492 . 1 1 73 73 LYS HG2 H 1 1.32 0.005 . . . . . . . . . . 5360 1 493 . 1 1 73 73 LYS HG3 H 1 1.30 0.005 . . . . . . . . . . 5360 1 494 . 1 1 73 73 LYS HD2 H 1 1.60 0.005 . . . . . . . . . . 5360 1 495 . 1 1 73 73 LYS HD3 H 1 1.60 0.005 . . . . . . . . . . 5360 1 496 . 1 1 73 73 LYS HE2 H 1 2.95 0.005 . . . . . . . . . . 5360 1 497 . 1 1 73 73 LYS HE3 H 1 2.95 0.005 . . . . . . . . . . 5360 1 stop_ save_