data_4314 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4314 _Entry.Title ; 1H Assignments for the Human Chemokine HCC2 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-03-04 _Entry.Accession_date 1999-03-04 _Entry.Last_release_date 1999-03-22 _Entry.Original_release_date 1999-03-22 _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 Heinrich Sticht . . . 4314 2 Sylvia Escher . E. . 4314 3 Kristian Schweimer . . . 4314 4 Wolf-Georg Forssmann . . . 4314 5 Paul Roesch . . . 4314 6 Knut Adermann . . . 4314 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4314 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 465 4314 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 . . 1999-03-22 1999-03-04 original author . 4314 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4314 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99255353 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Sticht, H., Escher, S. E., Schweimer, K., Forssmann, W-G., Roesch, P., and Adermann, K., "Solution Structure of the Human CC chemokine 2:A Monomeric Representative of the CC chemokine Subtype," Biochemistry 38, 5995-6002 (1999). ; _Citation.Title ; Solution Structure of the Human CC chemokine 2:A Monomeric Representative of the CC chemokine Subtype ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 38 _Citation.Journal_issue 19 _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 5995 _Citation.Page_last 6002 _Citation.Year 1999 _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 Heinrich Sticht . . . 4314 1 2 Sylvia Escher . E. . 4314 1 3 Kristian Schweimer . . . 4314 1 4 Wolf-Georg Forssmann . . . 4314 1 5 Paul Roesch . . . 4314 1 6 Knut Adermann . . . 4314 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HCC-2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HCC-2 _Assembly.Entry_ID 4314 _Assembly.ID 1 _Assembly.Name 'HCC-2 chemokine' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4314 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 'HCC-2 monomer' 1 $HCC-2 . . . native . . . . . 4314 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 6 6 SG . 1 . 1 CYS 30 30 SG . . . . . . . . . . 4314 1 2 disulfide single . 1 . . CYS 7 7 SG . 1 . 1 CYS 46 46 SG . . . . . . . . . . 4314 1 3 disulfide single . 1 . . CYS 17 17 SG . 1 . 1 CYS 57 57 SG . . . . . . . . . . 4314 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 6 6 HG . . . . 4314 1 2 . 1 1 CYS 7 7 HG . . . . 4314 1 3 . 1 1 CYS 17 17 HG . . . . 4314 1 4 . 1 1 CYS 30 30 HG . . . . 4314 1 5 . 1 1 CYS 46 46 HG . . . . 4314 1 6 . 1 1 CYS 57 57 HG . . . . 4314 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2HCC . 'Solution Structure Of The Human Chemokine Hcc-2, Nmr, 30 Structures' . . . . 4314 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID HCC-2 abbreviation 4314 1 'HCC-2 chemokine' system 4314 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HCC-2 _Entity.Sf_category entity _Entity.Sf_framecode HCC-2 _Entity.Entry_ID 4314 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HCC-2 _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 ; HFAADCCTSYISQSIPCSLM KSYFETSSECSKPGVIFLTK KGRQVCAKPSGPGVQDCMKK LKPYSI ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 2HCC . "Solution Structure Of The Human Chemokine Hcc-2, Nmr, 30 Structures" . . . . . 100.00 66 100.00 100.00 6.11e-39 . . . . 4314 1 2 no DBJ BAG72997 . "chemokine (C-C motif) ligand 15 [synthetic construct]" . . . . . 100.00 113 100.00 100.00 7.65e-40 . . . . 4314 1 3 no EMBL CAA94306 . "chemokine CC-2 [Homo sapiens]" . . . . . 100.00 113 100.00 100.00 7.65e-40 . . . . 4314 1 4 no EMBL CAA94308 . "chemokine CC-2 [Homo sapiens]" . . . . . 100.00 113 100.00 100.00 7.65e-40 . . . . 4314 1 5 no GB AAB94617 . "MIP-1 delta [Homo sapiens]" . . . . . 100.00 113 100.00 100.00 9.40e-40 . . . . 4314 1 6 no GB AAC63328 . "small inducible cytokine A15 precursor [Homo sapiens]" . . . . . 100.00 113 100.00 100.00 7.65e-40 . . . . 4314 1 7 no GB AAD10847 . "chemokine [Homo sapiens]" . . . . . 100.00 113 100.00 100.00 8.62e-40 . . . . 4314 1 8 no GB AAI40942 . "Chemokine (C-C motif) ligand 15 [Homo sapiens]" . . . . . 100.00 113 100.00 100.00 7.65e-40 . . . . 4314 1 9 no GB AIC55093 . "CCL15, partial [synthetic construct]" . . . . . 100.00 113 100.00 100.00 7.65e-40 . . . . 4314 1 10 no REF NP_116741 . "C-C motif chemokine 15 preproprotein [Homo sapiens]" . . . . . 100.00 113 100.00 100.00 7.65e-40 . . . . 4314 1 11 no REF XP_003315559 . "PREDICTED: C-C motif chemokine 15 [Pan troglodytes]" . . . . . 100.00 113 100.00 100.00 6.57e-40 . . . . 4314 1 12 no REF XP_008969502 . "PREDICTED: C-C motif chemokine 15 [Pan paniscus]" . . . . . 100.00 113 100.00 100.00 6.57e-40 . . . . 4314 1 13 no REF XP_008969503 . "PREDICTED: C-C motif chemokine 15 [Pan paniscus]" . . . . . 100.00 113 100.00 100.00 6.57e-40 . . . . 4314 1 14 no REF XP_009430647 . "PREDICTED: C-C motif chemokine 15 [Pan troglodytes]" . . . . . 100.00 113 100.00 100.00 6.57e-40 . . . . 4314 1 15 no SP Q16663 . "RecName: Full=C-C motif chemokine 15; AltName: Full=Chemokine CC-2; Short=HCC-2; AltName: Full=Leukotactin-1; Short=LKN-1; AltN" . . . . . 100.00 113 100.00 100.00 9.40e-40 . . . . 4314 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HCC-2 abbreviation 4314 1 HCC-2 common 4314 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 . HIS . 4314 1 2 . PHE . 4314 1 3 . ALA . 4314 1 4 . ALA . 4314 1 5 . ASP . 4314 1 6 . CYS . 4314 1 7 . CYS . 4314 1 8 . THR . 4314 1 9 . SER . 4314 1 10 . TYR . 4314 1 11 . ILE . 4314 1 12 . SER . 4314 1 13 . GLN . 4314 1 14 . SER . 4314 1 15 . ILE . 4314 1 16 . PRO . 4314 1 17 . CYS . 4314 1 18 . SER . 4314 1 19 . LEU . 4314 1 20 . MET . 4314 1 21 . LYS . 4314 1 22 . SER . 4314 1 23 . TYR . 4314 1 24 . PHE . 4314 1 25 . GLU . 4314 1 26 . THR . 4314 1 27 . SER . 4314 1 28 . SER . 4314 1 29 . GLU . 4314 1 30 . CYS . 4314 1 31 . SER . 4314 1 32 . LYS . 4314 1 33 . PRO . 4314 1 34 . GLY . 4314 1 35 . VAL . 4314 1 36 . ILE . 4314 1 37 . PHE . 4314 1 38 . LEU . 4314 1 39 . THR . 4314 1 40 . LYS . 4314 1 41 . LYS . 4314 1 42 . GLY . 4314 1 43 . ARG . 4314 1 44 . GLN . 4314 1 45 . VAL . 4314 1 46 . CYS . 4314 1 47 . ALA . 4314 1 48 . LYS . 4314 1 49 . PRO . 4314 1 50 . SER . 4314 1 51 . GLY . 4314 1 52 . PRO . 4314 1 53 . GLY . 4314 1 54 . VAL . 4314 1 55 . GLN . 4314 1 56 . ASP . 4314 1 57 . CYS . 4314 1 58 . MET . 4314 1 59 . LYS . 4314 1 60 . LYS . 4314 1 61 . LEU . 4314 1 62 . LYS . 4314 1 63 . PRO . 4314 1 64 . TYR . 4314 1 65 . SER . 4314 1 66 . ILE . 4314 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 . HIS 1 1 4314 1 . PHE 2 2 4314 1 . ALA 3 3 4314 1 . ALA 4 4 4314 1 . ASP 5 5 4314 1 . CYS 6 6 4314 1 . CYS 7 7 4314 1 . THR 8 8 4314 1 . SER 9 9 4314 1 . TYR 10 10 4314 1 . ILE 11 11 4314 1 . SER 12 12 4314 1 . GLN 13 13 4314 1 . SER 14 14 4314 1 . ILE 15 15 4314 1 . PRO 16 16 4314 1 . CYS 17 17 4314 1 . SER 18 18 4314 1 . LEU 19 19 4314 1 . MET 20 20 4314 1 . LYS 21 21 4314 1 . SER 22 22 4314 1 . TYR 23 23 4314 1 . PHE 24 24 4314 1 . GLU 25 25 4314 1 . THR 26 26 4314 1 . SER 27 27 4314 1 . SER 28 28 4314 1 . GLU 29 29 4314 1 . CYS 30 30 4314 1 . SER 31 31 4314 1 . LYS 32 32 4314 1 . PRO 33 33 4314 1 . GLY 34 34 4314 1 . VAL 35 35 4314 1 . ILE 36 36 4314 1 . PHE 37 37 4314 1 . LEU 38 38 4314 1 . THR 39 39 4314 1 . LYS 40 40 4314 1 . LYS 41 41 4314 1 . GLY 42 42 4314 1 . ARG 43 43 4314 1 . GLN 44 44 4314 1 . VAL 45 45 4314 1 . CYS 46 46 4314 1 . ALA 47 47 4314 1 . LYS 48 48 4314 1 . PRO 49 49 4314 1 . SER 50 50 4314 1 . GLY 51 51 4314 1 . PRO 52 52 4314 1 . GLY 53 53 4314 1 . VAL 54 54 4314 1 . GLN 55 55 4314 1 . ASP 56 56 4314 1 . CYS 57 57 4314 1 . MET 58 58 4314 1 . LYS 59 59 4314 1 . LYS 60 60 4314 1 . LEU 61 61 4314 1 . LYS 62 62 4314 1 . PRO 63 63 4314 1 . TYR 64 64 4314 1 . SER 65 65 4314 1 . ILE 66 66 4314 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 4314 _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 $HCC-2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4314 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 4314 _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 $HCC-2 . 'recombinant technology' 'Pichia pastoris' Yeast . . Pichia pastoris . . . . . . . . . . . . . . . . . . . . . . . 4314 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4314 _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 HCC-2 . . . 1 $HCC-2 . . 1.7 . . mM . . . . 4314 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4314 _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 3.0 0.2 na 4314 1 temperature 298 1.2 K 4314 1 stop_ save_ ############################ # Computer software used # ############################ save_NDEE _Software.Sf_category software _Software.Sf_framecode NDEE _Software.Entry_ID 4314 _Software.ID 1 _Software.Name NDEE _Software.Version 2.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID ; data processing graphical data evaluation ; 4314 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer-1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer-1 _NMR_spectrometer.Entry_ID 4314 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer-2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer-2 _NMR_spectrometer.Entry_ID 4314 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4314 _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_spectrometer-1 Bruker AMX . 600 . . . 4314 1 2 NMR_spectrometer-2 Bruker AMX . 400 . . . 4314 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 4314 _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 '1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4314 1 2 '1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4314 1 3 '1H-1H DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4314 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 4314 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-1H 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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4314 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-1H 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4314 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-1H DQF-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_ #################### # 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 4314 _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 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4314 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4314 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 $sample_1 . 4314 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 HIS HA H 1 4.28 0.01 . 1 . . . . . . . . 4314 1 2 . 1 1 1 1 HIS HB2 H 1 3.37 0.01 . 2 . . . . . . . . 4314 1 3 . 1 1 1 1 HIS HB3 H 1 3.32 0.01 . 2 . . . . . . . . 4314 1 4 . 1 1 1 1 HIS HD2 H 1 7.36 0.01 . 1 . . . . . . . . 4314 1 5 . 1 1 1 1 HIS HE1 H 1 8.64 0.01 . 1 . . . . . . . . 4314 1 6 . 1 1 2 2 PHE H H 1 8.69 0.01 . 1 . . . . . . . . 4314 1 7 . 1 1 2 2 PHE HA H 1 4.65 0.01 . 1 . . . . . . . . 4314 1 8 . 1 1 2 2 PHE HB2 H 1 3.03 0.01 . 1 . . . . . . . . 4314 1 9 . 1 1 2 2 PHE HB3 H 1 3.03 0.01 . 1 . . . . . . . . 4314 1 10 . 1 1 2 2 PHE HD1 H 1 7.22 0.01 . 1 . . . . . . . . 4314 1 11 . 1 1 2 2 PHE HD2 H 1 7.22 0.01 . 1 . . . . . . . . 4314 1 12 . 1 1 2 2 PHE HE1 H 1 7.30 0.01 . 1 . . . . . . . . 4314 1 13 . 1 1 2 2 PHE HE2 H 1 7.30 0.01 . 1 . . . . . . . . 4314 1 14 . 1 1 2 2 PHE HZ H 1 7.26 0.01 . 1 . . . . . . . . 4314 1 15 . 1 1 3 3 ALA H H 1 8.30 0.01 . 1 . . . . . . . . 4314 1 16 . 1 1 3 3 ALA HA H 1 4.28 0.01 . 1 . . . . . . . . 4314 1 17 . 1 1 3 3 ALA HB1 H 1 1.32 0.01 . 1 . . . . . . . . 4314 1 18 . 1 1 3 3 ALA HB2 H 1 1.32 0.01 . 1 . . . . . . . . 4314 1 19 . 1 1 3 3 ALA HB3 H 1 1.32 0.01 . 1 . . . . . . . . 4314 1 20 . 1 1 4 4 ALA H H 1 8.04 0.01 . 1 . . . . . . . . 4314 1 21 . 1 1 4 4 ALA HA H 1 4.26 0.01 . 1 . . . . . . . . 4314 1 22 . 1 1 4 4 ALA HB1 H 1 1.37 0.01 . 1 . . . . . . . . 4314 1 23 . 1 1 4 4 ALA HB2 H 1 1.37 0.01 . 1 . . . . . . . . 4314 1 24 . 1 1 4 4 ALA HB3 H 1 1.37 0.01 . 1 . . . . . . . . 4314 1 25 . 1 1 5 5 ASP H H 1 8.29 0.01 . 1 . . . . . . . . 4314 1 26 . 1 1 5 5 ASP HA H 1 4.81 0.01 . 1 . . . . . . . . 4314 1 27 . 1 1 5 5 ASP HB2 H 1 3.03 0.01 . 2 . . . . . . . . 4314 1 28 . 1 1 5 5 ASP HB3 H 1 2.86 0.01 . 2 . . . . . . . . 4314 1 29 . 1 1 6 6 CYS H H 1 8.07 0.01 . 1 . . . . . . . . 4314 1 30 . 1 1 6 6 CYS HA H 1 5.20 0.01 . 1 . . . . . . . . 4314 1 31 . 1 1 6 6 CYS HB2 H 1 3.54 0.01 . 2 . . . . . . . . 4314 1 32 . 1 1 6 6 CYS HB3 H 1 2.61 0.01 . 2 . . . . . . . . 4314 1 33 . 1 1 7 7 CYS H H 1 9.43 0.01 . 1 . . . . . . . . 4314 1 34 . 1 1 7 7 CYS HA H 1 4.82 0.01 . 1 . . . . . . . . 4314 1 35 . 1 1 7 7 CYS HB2 H 1 2.98 0.01 . 2 . . . . . . . . 4314 1 36 . 1 1 7 7 CYS HB3 H 1 2.60 0.01 . 2 . . . . . . . . 4314 1 37 . 1 1 8 8 THR H H 1 8.90 0.01 . 1 . . . . . . . . 4314 1 38 . 1 1 8 8 THR HA H 1 4.23 0.01 . 1 . . . . . . . . 4314 1 39 . 1 1 8 8 THR HB H 1 4.28 0.01 . 1 . . . . . . . . 4314 1 40 . 1 1 8 8 THR HG21 H 1 1.15 0.01 . 1 . . . . . . . . 4314 1 41 . 1 1 8 8 THR HG22 H 1 1.15 0.01 . 1 . . . . . . . . 4314 1 42 . 1 1 8 8 THR HG23 H 1 1.15 0.01 . 1 . . . . . . . . 4314 1 43 . 1 1 9 9 SER H H 1 7.62 0.01 . 1 . . . . . . . . 4314 1 44 . 1 1 9 9 SER HA H 1 4.27 0.01 . 1 . . . . . . . . 4314 1 45 . 1 1 9 9 SER HB2 H 1 3.79 0.01 . 1 . . . . . . . . 4314 1 46 . 1 1 9 9 SER HB3 H 1 3.79 0.01 . 1 . . . . . . . . 4314 1 47 . 1 1 10 10 TYR H H 1 8.30 0.01 . 1 . . . . . . . . 4314 1 48 . 1 1 10 10 TYR HA H 1 5.02 0.01 . 1 . . . . . . . . 4314 1 49 . 1 1 10 10 TYR HB2 H 1 3.08 0.01 . 2 . . . . . . . . 4314 1 50 . 1 1 10 10 TYR HB3 H 1 2.66 0.01 . 2 . . . . . . . . 4314 1 51 . 1 1 10 10 TYR HD1 H 1 6.87 0.01 . 1 . . . . . . . . 4314 1 52 . 1 1 10 10 TYR HD2 H 1 6.87 0.01 . 1 . . . . . . . . 4314 1 53 . 1 1 10 10 TYR HE1 H 1 6.80 0.01 . 1 . . . . . . . . 4314 1 54 . 1 1 10 10 TYR HE2 H 1 6.80 0.01 . 1 . . . . . . . . 4314 1 55 . 1 1 11 11 ILE H H 1 8.53 0.01 . 1 . . . . . . . . 4314 1 56 . 1 1 11 11 ILE HA H 1 4.46 0.01 . 1 . . . . . . . . 4314 1 57 . 1 1 11 11 ILE HB H 1 2.05 0.01 . 1 . . . . . . . . 4314 1 58 . 1 1 11 11 ILE HG12 H 1 1.65 0.01 . 2 . . . . . . . . 4314 1 59 . 1 1 11 11 ILE HG13 H 1 1.34 0.01 . 2 . . . . . . . . 4314 1 60 . 1 1 11 11 ILE HG21 H 1 0.81 0.01 . 1 . . . . . . . . 4314 1 61 . 1 1 11 11 ILE HG22 H 1 0.81 0.01 . 1 . . . . . . . . 4314 1 62 . 1 1 11 11 ILE HG23 H 1 0.81 0.01 . 1 . . . . . . . . 4314 1 63 . 1 1 11 11 ILE HD11 H 1 1.11 0.01 . 1 . . . . . . . . 4314 1 64 . 1 1 11 11 ILE HD12 H 1 1.11 0.01 . 1 . . . . . . . . 4314 1 65 . 1 1 11 11 ILE HD13 H 1 1.11 0.01 . 1 . . . . . . . . 4314 1 66 . 1 1 12 12 SER H H 1 8.64 0.01 . 1 . . . . . . . . 4314 1 67 . 1 1 12 12 SER HA H 1 4.67 0.01 . 1 . . . . . . . . 4314 1 68 . 1 1 12 12 SER HB2 H 1 3.98 0.01 . 2 . . . . . . . . 4314 1 69 . 1 1 12 12 SER HB3 H 1 3.92 0.01 . 2 . . . . . . . . 4314 1 70 . 1 1 13 13 GLN H H 1 7.49 0.01 . 1 . . . . . . . . 4314 1 71 . 1 1 13 13 GLN HA H 1 4.46 0.01 . 1 . . . . . . . . 4314 1 72 . 1 1 13 13 GLN HB2 H 1 2.16 0.01 . 2 . . . . . . . . 4314 1 73 . 1 1 13 13 GLN HB3 H 1 2.00 0.01 . 2 . . . . . . . . 4314 1 74 . 1 1 13 13 GLN HG2 H 1 2.36 0.01 . 1 . . . . . . . . 4314 1 75 . 1 1 13 13 GLN HG3 H 1 2.36 0.01 . 1 . . . . . . . . 4314 1 76 . 1 1 13 13 GLN HE21 H 1 7.47 0.01 . 2 . . . . . . . . 4314 1 77 . 1 1 13 13 GLN HE22 H 1 6.90 0.01 . 2 . . . . . . . . 4314 1 78 . 1 1 14 14 SER H H 1 8.36 0.01 . 1 . . . . . . . . 4314 1 79 . 1 1 14 14 SER HA H 1 4.14 0.01 . 1 . . . . . . . . 4314 1 80 . 1 1 14 14 SER HB2 H 1 3.69 0.01 . 2 . . . . . . . . 4314 1 81 . 1 1 14 14 SER HB3 H 1 3.65 0.01 . 2 . . . . . . . . 4314 1 82 . 1 1 15 15 ILE H H 1 7.14 0.01 . 1 . . . . . . . . 4314 1 83 . 1 1 15 15 ILE HA H 1 3.88 0.01 . 1 . . . . . . . . 4314 1 84 . 1 1 15 15 ILE HB H 1 1.54 0.01 . 1 . . . . . . . . 4314 1 85 . 1 1 15 15 ILE HG12 H 1 1.08 0.01 . 2 . . . . . . . . 4314 1 86 . 1 1 15 15 ILE HG13 H 1 0.74 0.01 . 2 . . . . . . . . 4314 1 87 . 1 1 15 15 ILE HG21 H 1 0.16 0.01 . 1 . . . . . . . . 4314 1 88 . 1 1 15 15 ILE HG22 H 1 0.16 0.01 . 1 . . . . . . . . 4314 1 89 . 1 1 15 15 ILE HG23 H 1 0.16 0.01 . 1 . . . . . . . . 4314 1 90 . 1 1 15 15 ILE HD11 H 1 0.34 0.01 . 1 . . . . . . . . 4314 1 91 . 1 1 15 15 ILE HD12 H 1 0.34 0.01 . 1 . . . . . . . . 4314 1 92 . 1 1 15 15 ILE HD13 H 1 0.34 0.01 . 1 . . . . . . . . 4314 1 93 . 1 1 16 16 PRO HA H 1 4.84 0.01 . 1 . . . . . . . . 4314 1 94 . 1 1 16 16 PRO HB2 H 1 1.94 0.01 . 1 . . . . . . . . 4314 1 95 . 1 1 16 16 PRO HB3 H 1 1.94 0.01 . 1 . . . . . . . . 4314 1 96 . 1 1 16 16 PRO HG2 H 1 2.18 0.01 . 2 . . . . . . . . 4314 1 97 . 1 1 16 16 PRO HG3 H 1 2.06 0.01 . 2 . . . . . . . . 4314 1 98 . 1 1 16 16 PRO HD2 H 1 3.96 0.01 . 2 . . . . . . . . 4314 1 99 . 1 1 16 16 PRO HD3 H 1 3.16 0.01 . 2 . . . . . . . . 4314 1 100 . 1 1 17 17 CYS H H 1 8.02 0.01 . 1 . . . . . . . . 4314 1 101 . 1 1 17 17 CYS HA H 1 3.89 0.01 . 1 . . . . . . . . 4314 1 102 . 1 1 17 17 CYS HB2 H 1 3.00 0.01 . 2 . . . . . . . . 4314 1 103 . 1 1 17 17 CYS HB3 H 1 2.96 0.01 . 2 . . . . . . . . 4314 1 104 . 1 1 18 18 SER H H 1 8.51 0.01 . 1 . . . . . . . . 4314 1 105 . 1 1 18 18 SER HA H 1 4.29 0.01 . 1 . . . . . . . . 4314 1 106 . 1 1 18 18 SER HB2 H 1 3.98 0.01 . 2 . . . . . . . . 4314 1 107 . 1 1 18 18 SER HB3 H 1 3.93 0.01 . 2 . . . . . . . . 4314 1 108 . 1 1 19 19 LEU H H 1 7.68 0.01 . 1 . . . . . . . . 4314 1 109 . 1 1 19 19 LEU HA H 1 4.46 0.01 . 1 . . . . . . . . 4314 1 110 . 1 1 19 19 LEU HB2 H 1 1.87 0.01 . 2 . . . . . . . . 4314 1 111 . 1 1 19 19 LEU HB3 H 1 1.80 0.01 . 2 . . . . . . . . 4314 1 112 . 1 1 19 19 LEU HG H 1 1.72 0.01 . 1 . . . . . . . . 4314 1 113 . 1 1 19 19 LEU HD11 H 1 0.96 0.01 . 2 . . . . . . . . 4314 1 114 . 1 1 19 19 LEU HD12 H 1 0.96 0.01 . 2 . . . . . . . . 4314 1 115 . 1 1 19 19 LEU HD13 H 1 0.96 0.01 . 2 . . . . . . . . 4314 1 116 . 1 1 19 19 LEU HD21 H 1 0.88 0.01 . 2 . . . . . . . . 4314 1 117 . 1 1 19 19 LEU HD22 H 1 0.88 0.01 . 2 . . . . . . . . 4314 1 118 . 1 1 19 19 LEU HD23 H 1 0.88 0.01 . 2 . . . . . . . . 4314 1 119 . 1 1 20 20 MET H H 1 8.05 0.01 . 1 . . . . . . . . 4314 1 120 . 1 1 20 20 MET HA H 1 4.98 0.01 . 1 . . . . . . . . 4314 1 121 . 1 1 20 20 MET HB2 H 1 2.51 0.01 . 2 . . . . . . . . 4314 1 122 . 1 1 20 20 MET HB3 H 1 2.02 0.01 . 2 . . . . . . . . 4314 1 123 . 1 1 20 20 MET HG2 H 1 2.74 0.01 . 2 . . . . . . . . 4314 1 124 . 1 1 20 20 MET HG3 H 1 2.37 0.01 . 2 . . . . . . . . 4314 1 125 . 1 1 20 20 MET HE1 H 1 1.77 0.01 . 1 . . . . . . . . 4314 1 126 . 1 1 20 20 MET HE2 H 1 1.77 0.01 . 1 . . . . . . . . 4314 1 127 . 1 1 20 20 MET HE3 H 1 1.77 0.01 . 1 . . . . . . . . 4314 1 128 . 1 1 21 21 LYS H H 1 9.53 0.01 . 1 . . . . . . . . 4314 1 129 . 1 1 21 21 LYS HA H 1 4.73 0.01 . 1 . . . . . . . . 4314 1 130 . 1 1 21 21 LYS HB2 H 1 1.69 0.01 . 1 . . . . . . . . 4314 1 131 . 1 1 21 21 LYS HB3 H 1 1.69 0.01 . 1 . . . . . . . . 4314 1 132 . 1 1 21 21 LYS HG2 H 1 1.36 0.01 . 1 . . . . . . . . 4314 1 133 . 1 1 21 21 LYS HG3 H 1 1.36 0.01 . 1 . . . . . . . . 4314 1 134 . 1 1 21 21 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 4314 1 135 . 1 1 21 21 LYS HE3 H 1 3.01 0.01 . 1 . . . . . . . . 4314 1 136 . 1 1 21 21 LYS HZ1 H 1 7.56 0.01 . 1 . . . . . . . . 4314 1 137 . 1 1 21 21 LYS HZ2 H 1 7.56 0.01 . 1 . . . . . . . . 4314 1 138 . 1 1 21 21 LYS HZ3 H 1 7.56 0.01 . 1 . . . . . . . . 4314 1 139 . 1 1 22 22 SER H H 1 7.99 0.01 . 1 . . . . . . . . 4314 1 140 . 1 1 22 22 SER HA H 1 4.73 0.01 . 1 . . . . . . . . 4314 1 141 . 1 1 22 22 SER HB2 H 1 4.10 0.01 . 2 . . . . . . . . 4314 1 142 . 1 1 22 22 SER HB3 H 1 3.84 0.01 . 2 . . . . . . . . 4314 1 143 . 1 1 23 23 TYR H H 1 7.99 0.01 . 1 . . . . . . . . 4314 1 144 . 1 1 23 23 TYR HA H 1 5.66 0.01 . 1 . . . . . . . . 4314 1 145 . 1 1 23 23 TYR HB2 H 1 2.41 0.01 . 2 . . . . . . . . 4314 1 146 . 1 1 23 23 TYR HB3 H 1 1.98 0.01 . 2 . . . . . . . . 4314 1 147 . 1 1 23 23 TYR HD1 H 1 6.58 0.01 . 1 . . . . . . . . 4314 1 148 . 1 1 23 23 TYR HD2 H 1 6.58 0.01 . 1 . . . . . . . . 4314 1 149 . 1 1 23 23 TYR HE1 H 1 6.78 0.01 . 1 . . . . . . . . 4314 1 150 . 1 1 23 23 TYR HE2 H 1 6.78 0.01 . 1 . . . . . . . . 4314 1 151 . 1 1 24 24 PHE H H 1 9.11 0.01 . 1 . . . . . . . . 4314 1 152 . 1 1 24 24 PHE HA H 1 4.70 0.01 . 1 . . . . . . . . 4314 1 153 . 1 1 24 24 PHE HB2 H 1 3.21 0.01 . 2 . . . . . . . . 4314 1 154 . 1 1 24 24 PHE HB3 H 1 3.02 0.01 . 2 . . . . . . . . 4314 1 155 . 1 1 24 24 PHE HD1 H 1 6.97 0.01 . 1 . . . . . . . . 4314 1 156 . 1 1 24 24 PHE HD2 H 1 6.97 0.01 . 1 . . . . . . . . 4314 1 157 . 1 1 24 24 PHE HE1 H 1 7.11 0.01 . 1 . . . . . . . . 4314 1 158 . 1 1 24 24 PHE HE2 H 1 7.11 0.01 . 1 . . . . . . . . 4314 1 159 . 1 1 24 24 PHE HZ H 1 7.19 0.01 . 1 . . . . . . . . 4314 1 160 . 1 1 25 25 GLU H H 1 8.94 0.01 . 1 . . . . . . . . 4314 1 161 . 1 1 25 25 GLU HA H 1 4.77 0.01 . 1 . . . . . . . . 4314 1 162 . 1 1 25 25 GLU HB2 H 1 2.34 0.01 . 2 . . . . . . . . 4314 1 163 . 1 1 25 25 GLU HB3 H 1 2.11 0.01 . 2 . . . . . . . . 4314 1 164 . 1 1 25 25 GLU HG2 H 1 2.66 0.01 . 2 . . . . . . . . 4314 1 165 . 1 1 25 25 GLU HG3 H 1 2.59 0.01 . 2 . . . . . . . . 4314 1 166 . 1 1 26 26 THR H H 1 8.11 0.01 . 1 . . . . . . . . 4314 1 167 . 1 1 26 26 THR HA H 1 4.50 0.01 . 1 . . . . . . . . 4314 1 168 . 1 1 26 26 THR HB H 1 5.01 0.01 . 1 . . . . . . . . 4314 1 169 . 1 1 26 26 THR HG21 H 1 1.36 0.01 . 1 . . . . . . . . 4314 1 170 . 1 1 26 26 THR HG22 H 1 1.36 0.01 . 1 . . . . . . . . 4314 1 171 . 1 1 26 26 THR HG23 H 1 1.36 0.01 . 1 . . . . . . . . 4314 1 172 . 1 1 27 27 SER H H 1 8.95 0.01 . 1 . . . . . . . . 4314 1 173 . 1 1 27 27 SER HA H 1 4.46 0.01 . 1 . . . . . . . . 4314 1 174 . 1 1 27 27 SER HB2 H 1 4.23 0.01 . 2 . . . . . . . . 4314 1 175 . 1 1 27 27 SER HB3 H 1 4.05 0.01 . 2 . . . . . . . . 4314 1 176 . 1 1 28 28 SER H H 1 9.00 0.01 . 1 . . . . . . . . 4314 1 177 . 1 1 28 28 SER HA H 1 4.35 0.01 . 1 . . . . . . . . 4314 1 178 . 1 1 28 28 SER HB2 H 1 4.08 0.01 . 2 . . . . . . . . 4314 1 179 . 1 1 28 28 SER HB3 H 1 4.02 0.01 . 2 . . . . . . . . 4314 1 180 . 1 1 29 29 GLU H H 1 8.36 0.01 . 1 . . . . . . . . 4314 1 181 . 1 1 29 29 GLU HA H 1 4.27 0.01 . 1 . . . . . . . . 4314 1 182 . 1 1 29 29 GLU HB2 H 1 1.91 0.01 . 2 . . . . . . . . 4314 1 183 . 1 1 29 29 GLU HB3 H 1 1.87 0.01 . 2 . . . . . . . . 4314 1 184 . 1 1 29 29 GLU HG2 H 1 2.44 0.01 . 2 . . . . . . . . 4314 1 185 . 1 1 29 29 GLU HG3 H 1 2.14 0.01 . 2 . . . . . . . . 4314 1 186 . 1 1 30 30 CYS H H 1 7.61 0.01 . 1 . . . . . . . . 4314 1 187 . 1 1 30 30 CYS HA H 1 4.69 0.01 . 1 . . . . . . . . 4314 1 188 . 1 1 30 30 CYS HB2 H 1 3.57 0.01 . 2 . . . . . . . . 4314 1 189 . 1 1 30 30 CYS HB3 H 1 2.86 0.01 . 2 . . . . . . . . 4314 1 190 . 1 1 31 31 SER H H 1 8.76 0.01 . 1 . . . . . . . . 4314 1 191 . 1 1 31 31 SER HA H 1 4.17 0.01 . 1 . . . . . . . . 4314 1 192 . 1 1 31 31 SER HB2 H 1 3.97 0.01 . 1 . . . . . . . . 4314 1 193 . 1 1 31 31 SER HB3 H 1 3.97 0.01 . 1 . . . . . . . . 4314 1 194 . 1 1 32 32 LYS H H 1 8.08 0.01 . 1 . . . . . . . . 4314 1 195 . 1 1 32 32 LYS HA H 1 4.87 0.01 . 1 . . . . . . . . 4314 1 196 . 1 1 32 32 LYS HB2 H 1 1.79 0.01 . 1 . . . . . . . . 4314 1 197 . 1 1 32 32 LYS HB3 H 1 1.79 0.01 . 1 . . . . . . . . 4314 1 198 . 1 1 32 32 LYS HG2 H 1 1.43 0.01 . 2 . . . . . . . . 4314 1 199 . 1 1 32 32 LYS HG3 H 1 1.88 0.01 . 2 . . . . . . . . 4314 1 200 . 1 1 32 32 LYS HD2 H 1 1.64 0.01 . 1 . . . . . . . . 4314 1 201 . 1 1 32 32 LYS HD3 H 1 1.64 0.01 . 1 . . . . . . . . 4314 1 202 . 1 1 32 32 LYS HE2 H 1 2.96 0.01 . 1 . . . . . . . . 4314 1 203 . 1 1 32 32 LYS HE3 H 1 2.96 0.01 . 1 . . . . . . . . 4314 1 204 . 1 1 32 32 LYS HZ1 H 1 7.54 0.01 . 1 . . . . . . . . 4314 1 205 . 1 1 32 32 LYS HZ2 H 1 7.54 0.01 . 1 . . . . . . . . 4314 1 206 . 1 1 32 32 LYS HZ3 H 1 7.54 0.01 . 1 . . . . . . . . 4314 1 207 . 1 1 33 33 PRO HA H 1 4.65 0.01 . 1 . . . . . . . . 4314 1 208 . 1 1 33 33 PRO HB2 H 1 2.32 0.01 . 2 . . . . . . . . 4314 1 209 . 1 1 33 33 PRO HB3 H 1 1.81 0.01 . 2 . . . . . . . . 4314 1 210 . 1 1 33 33 PRO HG2 H 1 2.05 0.01 . 2 . . . . . . . . 4314 1 211 . 1 1 33 33 PRO HG3 H 1 1.96 0.01 . 2 . . . . . . . . 4314 1 212 . 1 1 33 33 PRO HD2 H 1 3.82 0.01 . 2 . . . . . . . . 4314 1 213 . 1 1 33 33 PRO HD3 H 1 3.65 0.01 . 2 . . . . . . . . 4314 1 214 . 1 1 34 34 GLY H H 1 8.46 0.01 . 1 . . . . . . . . 4314 1 215 . 1 1 34 34 GLY HA2 H 1 4.64 0.01 . 2 . . . . . . . . 4314 1 216 . 1 1 34 34 GLY HA3 H 1 4.03 0.01 . 2 . . . . . . . . 4314 1 217 . 1 1 35 35 VAL H H 1 9.00 0.01 . 1 . . . . . . . . 4314 1 218 . 1 1 35 35 VAL HA H 1 4.30 0.01 . 1 . . . . . . . . 4314 1 219 . 1 1 35 35 VAL HB H 1 1.68 0.01 . 1 . . . . . . . . 4314 1 220 . 1 1 35 35 VAL HG11 H 1 0.79 0.01 . 2 . . . . . . . . 4314 1 221 . 1 1 35 35 VAL HG12 H 1 0.79 0.01 . 2 . . . . . . . . 4314 1 222 . 1 1 35 35 VAL HG13 H 1 0.79 0.01 . 2 . . . . . . . . 4314 1 223 . 1 1 35 35 VAL HG21 H 1 0.25 0.01 . 2 . . . . . . . . 4314 1 224 . 1 1 35 35 VAL HG22 H 1 0.25 0.01 . 2 . . . . . . . . 4314 1 225 . 1 1 35 35 VAL HG23 H 1 0.25 0.01 . 2 . . . . . . . . 4314 1 226 . 1 1 36 36 ILE H H 1 8.67 0.01 . 1 . . . . . . . . 4314 1 227 . 1 1 36 36 ILE HA H 1 4.64 0.01 . 1 . . . . . . . . 4314 1 228 . 1 1 36 36 ILE HB H 1 0.57 0.01 . 1 . . . . . . . . 4314 1 229 . 1 1 36 36 ILE HG12 H 1 1.31 0.01 . 1 . . . . . . . . 4314 1 230 . 1 1 36 36 ILE HG13 H 1 1.31 0.01 . 1 . . . . . . . . 4314 1 231 . 1 1 36 36 ILE HG21 H 1 0.50 0.01 . 1 . . . . . . . . 4314 1 232 . 1 1 36 36 ILE HG22 H 1 0.50 0.01 . 1 . . . . . . . . 4314 1 233 . 1 1 36 36 ILE HG23 H 1 0.50 0.01 . 1 . . . . . . . . 4314 1 234 . 1 1 36 36 ILE HD11 H 1 0.79 0.01 . 1 . . . . . . . . 4314 1 235 . 1 1 36 36 ILE HD12 H 1 0.79 0.01 . 1 . . . . . . . . 4314 1 236 . 1 1 36 36 ILE HD13 H 1 0.79 0.01 . 1 . . . . . . . . 4314 1 237 . 1 1 37 37 PHE H H 1 9.24 0.01 . 1 . . . . . . . . 4314 1 238 . 1 1 37 37 PHE HA H 1 4.83 0.01 . 1 . . . . . . . . 4314 1 239 . 1 1 37 37 PHE HB2 H 1 3.49 0.01 . 2 . . . . . . . . 4314 1 240 . 1 1 37 37 PHE HB3 H 1 2.81 0.01 . 2 . . . . . . . . 4314 1 241 . 1 1 37 37 PHE HD1 H 1 7.12 0.01 . 1 . . . . . . . . 4314 1 242 . 1 1 37 37 PHE HD2 H 1 7.12 0.01 . 1 . . . . . . . . 4314 1 243 . 1 1 37 37 PHE HE1 H 1 6.87 0.01 . 1 . . . . . . . . 4314 1 244 . 1 1 37 37 PHE HE2 H 1 6.87 0.01 . 1 . . . . . . . . 4314 1 245 . 1 1 38 38 LEU H H 1 8.56 0.01 . 1 . . . . . . . . 4314 1 246 . 1 1 38 38 LEU HA H 1 5.30 0.01 . 1 . . . . . . . . 4314 1 247 . 1 1 38 38 LEU HB2 H 1 1.57 0.01 . 1 . . . . . . . . 4314 1 248 . 1 1 38 38 LEU HB3 H 1 1.57 0.01 . 1 . . . . . . . . 4314 1 249 . 1 1 38 38 LEU HG H 1 1.52 0.01 . 1 . . . . . . . . 4314 1 250 . 1 1 38 38 LEU HD11 H 1 0.77 0.01 . 1 . . . . . . . . 4314 1 251 . 1 1 38 38 LEU HD12 H 1 0.77 0.01 . 1 . . . . . . . . 4314 1 252 . 1 1 38 38 LEU HD13 H 1 0.77 0.01 . 1 . . . . . . . . 4314 1 253 . 1 1 38 38 LEU HD21 H 1 0.77 0.01 . 1 . . . . . . . . 4314 1 254 . 1 1 38 38 LEU HD22 H 1 0.77 0.01 . 1 . . . . . . . . 4314 1 255 . 1 1 38 38 LEU HD23 H 1 0.77 0.01 . 1 . . . . . . . . 4314 1 256 . 1 1 39 39 THR H H 1 9.49 0.01 . 1 . . . . . . . . 4314 1 257 . 1 1 39 39 THR HA H 1 5.11 0.01 . 1 . . . . . . . . 4314 1 258 . 1 1 39 39 THR HB H 1 4.85 0.01 . 1 . . . . . . . . 4314 1 259 . 1 1 39 39 THR HG1 H 1 6.21 0.01 . 1 . . . . . . . . 4314 1 260 . 1 1 39 39 THR HG21 H 1 1.31 0.01 . 1 . . . . . . . . 4314 1 261 . 1 1 39 39 THR HG22 H 1 1.31 0.01 . 1 . . . . . . . . 4314 1 262 . 1 1 39 39 THR HG23 H 1 1.31 0.01 . 1 . . . . . . . . 4314 1 263 . 1 1 40 40 LYS H H 1 8.84 0.01 . 1 . . . . . . . . 4314 1 264 . 1 1 40 40 LYS HA H 1 3.97 0.01 . 1 . . . . . . . . 4314 1 265 . 1 1 40 40 LYS HB2 H 1 2.07 0.01 . 2 . . . . . . . . 4314 1 266 . 1 1 40 40 LYS HB3 H 1 1.81 0.01 . 2 . . . . . . . . 4314 1 267 . 1 1 40 40 LYS HG2 H 1 1.41 0.01 . 2 . . . . . . . . 4314 1 268 . 1 1 40 40 LYS HG3 H 1 1.29 0.01 . 2 . . . . . . . . 4314 1 269 . 1 1 40 40 LYS HD2 H 1 1.72 0.01 . 2 . . . . . . . . 4314 1 270 . 1 1 40 40 LYS HD3 H 1 1.68 0.01 . 2 . . . . . . . . 4314 1 271 . 1 1 40 40 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 4314 1 272 . 1 1 40 40 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 4314 1 273 . 1 1 40 40 LYS HZ1 H 1 7.55 0.01 . 1 . . . . . . . . 4314 1 274 . 1 1 40 40 LYS HZ2 H 1 7.55 0.01 . 1 . . . . . . . . 4314 1 275 . 1 1 40 40 LYS HZ3 H 1 7.55 0.01 . 1 . . . . . . . . 4314 1 276 . 1 1 41 41 LYS H H 1 7.52 0.01 . 1 . . . . . . . . 4314 1 277 . 1 1 41 41 LYS HA H 1 4.49 0.01 . 1 . . . . . . . . 4314 1 278 . 1 1 41 41 LYS HB2 H 1 2.12 0.01 . 2 . . . . . . . . 4314 1 279 . 1 1 41 41 LYS HB3 H 1 1.63 0.01 . 2 . . . . . . . . 4314 1 280 . 1 1 41 41 LYS HG2 H 1 1.54 0.01 . 2 . . . . . . . . 4314 1 281 . 1 1 41 41 LYS HG3 H 1 1.41 0.01 . 2 . . . . . . . . 4314 1 282 . 1 1 41 41 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 4314 1 283 . 1 1 41 41 LYS HD3 H 1 1.69 0.01 . 1 . . . . . . . . 4314 1 284 . 1 1 41 41 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 4314 1 285 . 1 1 41 41 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 4314 1 286 . 1 1 42 42 GLY H H 1 8.05 0.01 . 1 . . . . . . . . 4314 1 287 . 1 1 42 42 GLY HA2 H 1 4.25 0.01 . 2 . . . . . . . . 4314 1 288 . 1 1 42 42 GLY HA3 H 1 3.66 0.01 . 2 . . . . . . . . 4314 1 289 . 1 1 43 43 ARG H H 1 7.65 0.01 . 1 . . . . . . . . 4314 1 290 . 1 1 43 43 ARG HA H 1 4.58 0.01 . 1 . . . . . . . . 4314 1 291 . 1 1 43 43 ARG HB2 H 1 1.92 0.01 . 2 . . . . . . . . 4314 1 292 . 1 1 43 43 ARG HB3 H 1 1.71 0.01 . 2 . . . . . . . . 4314 1 293 . 1 1 43 43 ARG HG2 H 1 1.65 0.01 . 2 . . . . . . . . 4314 1 294 . 1 1 43 43 ARG HG3 H 1 1.52 0.01 . 2 . . . . . . . . 4314 1 295 . 1 1 43 43 ARG HD2 H 1 3.23 0.01 . 2 . . . . . . . . 4314 1 296 . 1 1 43 43 ARG HD3 H 1 3.16 0.01 . 2 . . . . . . . . 4314 1 297 . 1 1 43 43 ARG HE H 1 7.18 0.01 . 1 . . . . . . . . 4314 1 298 . 1 1 44 44 GLN H H 1 8.62 0.01 . 1 . . . . . . . . 4314 1 299 . 1 1 44 44 GLN HA H 1 5.20 0.01 . 1 . . . . . . . . 4314 1 300 . 1 1 44 44 GLN HB2 H 1 2.01 0.01 . 2 . . . . . . . . 4314 1 301 . 1 1 44 44 GLN HB3 H 1 1.91 0.01 . 2 . . . . . . . . 4314 1 302 . 1 1 44 44 GLN HG2 H 1 2.54 0.01 . 2 . . . . . . . . 4314 1 303 . 1 1 44 44 GLN HG3 H 1 2.13 0.01 . 2 . . . . . . . . 4314 1 304 . 1 1 44 44 GLN HE21 H 1 7.43 0.01 . 2 . . . . . . . . 4314 1 305 . 1 1 44 44 GLN HE22 H 1 7.00 0.01 . 2 . . . . . . . . 4314 1 306 . 1 1 45 45 VAL H H 1 9.48 0.01 . 1 . . . . . . . . 4314 1 307 . 1 1 45 45 VAL HA H 1 4.36 0.01 . 1 . . . . . . . . 4314 1 308 . 1 1 45 45 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 4314 1 309 . 1 1 45 45 VAL HG11 H 1 0.91 0.01 . 2 . . . . . . . . 4314 1 310 . 1 1 45 45 VAL HG12 H 1 0.91 0.01 . 2 . . . . . . . . 4314 1 311 . 1 1 45 45 VAL HG13 H 1 0.91 0.01 . 2 . . . . . . . . 4314 1 312 . 1 1 45 45 VAL HG21 H 1 0.85 0.01 . 2 . . . . . . . . 4314 1 313 . 1 1 45 45 VAL HG22 H 1 0.85 0.01 . 2 . . . . . . . . 4314 1 314 . 1 1 45 45 VAL HG23 H 1 0.85 0.01 . 2 . . . . . . . . 4314 1 315 . 1 1 46 46 CYS H H 1 8.80 0.01 . 1 . . . . . . . . 4314 1 316 . 1 1 46 46 CYS HA H 1 5.24 0.01 . 1 . . . . . . . . 4314 1 317 . 1 1 46 46 CYS HB2 H 1 3.46 0.01 . 2 . . . . . . . . 4314 1 318 . 1 1 46 46 CYS HB3 H 1 3.18 0.01 . 2 . . . . . . . . 4314 1 319 . 1 1 47 47 ALA H H 1 9.75 0.01 . 1 . . . . . . . . 4314 1 320 . 1 1 47 47 ALA HA H 1 5.12 0.01 . 1 . . . . . . . . 4314 1 321 . 1 1 47 47 ALA HB1 H 1 1.59 0.01 . 1 . . . . . . . . 4314 1 322 . 1 1 47 47 ALA HB2 H 1 1.59 0.01 . 1 . . . . . . . . 4314 1 323 . 1 1 47 47 ALA HB3 H 1 1.59 0.01 . 1 . . . . . . . . 4314 1 324 . 1 1 48 48 LYS H H 1 8.80 0.01 . 1 . . . . . . . . 4314 1 325 . 1 1 48 48 LYS HA H 1 4.02 0.01 . 1 . . . . . . . . 4314 1 326 . 1 1 48 48 LYS HB2 H 1 1.48 0.01 . 2 . . . . . . . . 4314 1 327 . 1 1 48 48 LYS HB3 H 1 1.16 0.01 . 2 . . . . . . . . 4314 1 328 . 1 1 48 48 LYS HG2 H 1 0.89 0.01 . 2 . . . . . . . . 4314 1 329 . 1 1 48 48 LYS HG3 H 1 0.66 0.01 . 2 . . . . . . . . 4314 1 330 . 1 1 48 48 LYS HD2 H 1 1.38 0.01 . 1 . . . . . . . . 4314 1 331 . 1 1 48 48 LYS HD3 H 1 1.38 0.01 . 1 . . . . . . . . 4314 1 332 . 1 1 48 48 LYS HE2 H 1 2.69 0.01 . 1 . . . . . . . . 4314 1 333 . 1 1 48 48 LYS HE3 H 1 2.69 0.01 . 1 . . . . . . . . 4314 1 334 . 1 1 48 48 LYS HZ1 H 1 7.48 0.01 . 1 . . . . . . . . 4314 1 335 . 1 1 48 48 LYS HZ2 H 1 7.48 0.01 . 1 . . . . . . . . 4314 1 336 . 1 1 48 48 LYS HZ3 H 1 7.48 0.01 . 1 . . . . . . . . 4314 1 337 . 1 1 49 49 PRO HA H 1 4.12 0.01 . 1 . . . . . . . . 4314 1 338 . 1 1 49 49 PRO HB2 H 1 2.29 0.01 . 2 . . . . . . . . 4314 1 339 . 1 1 49 49 PRO HB3 H 1 1.94 0.01 . 2 . . . . . . . . 4314 1 340 . 1 1 49 49 PRO HG2 H 1 2.12 0.01 . 2 . . . . . . . . 4314 1 341 . 1 1 49 49 PRO HG3 H 1 1.79 0.01 . 2 . . . . . . . . 4314 1 342 . 1 1 49 49 PRO HD2 H 1 3.64 0.01 . 1 . . . . . . . . 4314 1 343 . 1 1 49 49 PRO HD3 H 1 3.64 0.01 . 1 . . . . . . . . 4314 1 344 . 1 1 50 50 SER H H 1 7.32 0.01 . 1 . . . . . . . . 4314 1 345 . 1 1 50 50 SER HA H 1 4.70 0.01 . 1 . . . . . . . . 4314 1 346 . 1 1 50 50 SER HB2 H 1 4.09 0.01 . 2 . . . . . . . . 4314 1 347 . 1 1 50 50 SER HB3 H 1 3.78 0.01 . 2 . . . . . . . . 4314 1 348 . 1 1 51 51 GLY H H 1 8.13 0.01 . 1 . . . . . . . . 4314 1 349 . 1 1 51 51 GLY HA2 H 1 4.21 0.01 . 2 . . . . . . . . 4314 1 350 . 1 1 51 51 GLY HA3 H 1 3.79 0.01 . 2 . . . . . . . . 4314 1 351 . 1 1 52 52 PRO HA H 1 4.48 0.01 . 1 . . . . . . . . 4314 1 352 . 1 1 52 52 PRO HB2 H 1 2.25 0.01 . 2 . . . . . . . . 4314 1 353 . 1 1 52 52 PRO HB3 H 1 1.86 0.01 . 2 . . . . . . . . 4314 1 354 . 1 1 52 52 PRO HG2 H 1 2.13 0.01 . 2 . . . . . . . . 4314 1 355 . 1 1 52 52 PRO HG3 H 1 1.98 0.01 . 2 . . . . . . . . 4314 1 356 . 1 1 52 52 PRO HD2 H 1 3.66 0.01 . 1 . . . . . . . . 4314 1 357 . 1 1 52 52 PRO HD3 H 1 3.66 0.01 . 1 . . . . . . . . 4314 1 358 . 1 1 53 53 GLY H H 1 9.15 0.01 . 1 . . . . . . . . 4314 1 359 . 1 1 53 53 GLY HA2 H 1 4.15 0.01 . 2 . . . . . . . . 4314 1 360 . 1 1 53 53 GLY HA3 H 1 3.93 0.01 . 2 . . . . . . . . 4314 1 361 . 1 1 54 54 VAL H H 1 7.68 0.01 . 1 . . . . . . . . 4314 1 362 . 1 1 54 54 VAL HA H 1 3.36 0.01 . 1 . . . . . . . . 4314 1 363 . 1 1 54 54 VAL HB H 1 2.07 0.01 . 1 . . . . . . . . 4314 1 364 . 1 1 54 54 VAL HG11 H 1 1.06 0.01 . 2 . . . . . . . . 4314 1 365 . 1 1 54 54 VAL HG12 H 1 1.06 0.01 . 2 . . . . . . . . 4314 1 366 . 1 1 54 54 VAL HG13 H 1 1.06 0.01 . 2 . . . . . . . . 4314 1 367 . 1 1 54 54 VAL HG21 H 1 0.96 0.01 . 2 . . . . . . . . 4314 1 368 . 1 1 54 54 VAL HG22 H 1 0.96 0.01 . 2 . . . . . . . . 4314 1 369 . 1 1 54 54 VAL HG23 H 1 0.96 0.01 . 2 . . . . . . . . 4314 1 370 . 1 1 55 55 GLN H H 1 8.91 0.01 . 1 . . . . . . . . 4314 1 371 . 1 1 55 55 GLN HA H 1 4.09 0.01 . 1 . . . . . . . . 4314 1 372 . 1 1 55 55 GLN HB2 H 1 2.14 0.01 . 2 . . . . . . . . 4314 1 373 . 1 1 55 55 GLN HB3 H 1 1.96 0.01 . 2 . . . . . . . . 4314 1 374 . 1 1 55 55 GLN HG2 H 1 2.60 0.01 . 2 . . . . . . . . 4314 1 375 . 1 1 55 55 GLN HG3 H 1 2.51 0.01 . 2 . . . . . . . . 4314 1 376 . 1 1 55 55 GLN HE21 H 1 7.68 0.01 . 2 . . . . . . . . 4314 1 377 . 1 1 55 55 GLN HE22 H 1 6.86 0.01 . 2 . . . . . . . . 4314 1 378 . 1 1 56 56 ASP H H 1 8.83 0.01 . 1 . . . . . . . . 4314 1 379 . 1 1 56 56 ASP HA H 1 4.32 0.01 . 1 . . . . . . . . 4314 1 380 . 1 1 56 56 ASP HB2 H 1 2.61 0.01 . 2 . . . . . . . . 4314 1 381 . 1 1 56 56 ASP HB3 H 1 2.53 0.01 . 2 . . . . . . . . 4314 1 382 . 1 1 57 57 CYS H H 1 7.71 0.01 . 1 . . . . . . . . 4314 1 383 . 1 1 57 57 CYS HA H 1 4.77 0.01 . 1 . . . . . . . . 4314 1 384 . 1 1 57 57 CYS HB2 H 1 3.26 0.01 . 2 . . . . . . . . 4314 1 385 . 1 1 57 57 CYS HB3 H 1 2.62 0.01 . 2 . . . . . . . . 4314 1 386 . 1 1 58 58 MET H H 1 8.45 0.01 . 1 . . . . . . . . 4314 1 387 . 1 1 58 58 MET HA H 1 3.44 0.01 . 1 . . . . . . . . 4314 1 388 . 1 1 58 58 MET HB2 H 1 1.90 0.01 . 2 . . . . . . . . 4314 1 389 . 1 1 58 58 MET HB3 H 1 1.72 0.01 . 2 . . . . . . . . 4314 1 390 . 1 1 58 58 MET HG2 H 1 2.25 0.01 . 2 . . . . . . . . 4314 1 391 . 1 1 58 58 MET HG3 H 1 0.70 0.01 . 2 . . . . . . . . 4314 1 392 . 1 1 58 58 MET HE1 H 1 1.83 0.01 . 1 . . . . . . . . 4314 1 393 . 1 1 58 58 MET HE2 H 1 1.83 0.01 . 1 . . . . . . . . 4314 1 394 . 1 1 58 58 MET HE3 H 1 1.83 0.01 . 1 . . . . . . . . 4314 1 395 . 1 1 59 59 LYS H H 1 7.24 0.01 . 1 . . . . . . . . 4314 1 396 . 1 1 59 59 LYS HA H 1 4.12 0.01 . 1 . . . . . . . . 4314 1 397 . 1 1 59 59 LYS HB2 H 1 1.95 0.01 . 2 . . . . . . . . 4314 1 398 . 1 1 59 59 LYS HB3 H 1 1.91 0.01 . 2 . . . . . . . . 4314 1 399 . 1 1 59 59 LYS HG2 H 1 1.53 0.01 . 1 . . . . . . . . 4314 1 400 . 1 1 59 59 LYS HG3 H 1 1.53 0.01 . 1 . . . . . . . . 4314 1 401 . 1 1 59 59 LYS HD2 H 1 1.73 0.01 . 2 . . . . . . . . 4314 1 402 . 1 1 59 59 LYS HD3 H 1 1.68 0.01 . 2 . . . . . . . . 4314 1 403 . 1 1 59 59 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 4314 1 404 . 1 1 59 59 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 4314 1 405 . 1 1 60 60 LYS H H 1 7.56 0.01 . 1 . . . . . . . . 4314 1 406 . 1 1 60 60 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 4314 1 407 . 1 1 60 60 LYS HB2 H 1 2.04 0.01 . 1 . . . . . . . . 4314 1 408 . 1 1 60 60 LYS HB3 H 1 2.04 0.01 . 1 . . . . . . . . 4314 1 409 . 1 1 60 60 LYS HG2 H 1 1.51 0.01 . 1 . . . . . . . . 4314 1 410 . 1 1 60 60 LYS HG3 H 1 1.51 0.01 . 1 . . . . . . . . 4314 1 411 . 1 1 60 60 LYS HD2 H 1 1.67 0.01 . 1 . . . . . . . . 4314 1 412 . 1 1 60 60 LYS HD3 H 1 1.67 0.01 . 1 . . . . . . . . 4314 1 413 . 1 1 60 60 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 4314 1 414 . 1 1 60 60 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 4314 1 415 . 1 1 61 61 LEU H H 1 7.69 0.01 . 1 . . . . . . . . 4314 1 416 . 1 1 61 61 LEU HA H 1 4.72 0.01 . 1 . . . . . . . . 4314 1 417 . 1 1 61 61 LEU HB2 H 1 1.65 0.01 . 1 . . . . . . . . 4314 1 418 . 1 1 61 61 LEU HB3 H 1 1.65 0.01 . 1 . . . . . . . . 4314 1 419 . 1 1 61 61 LEU HG H 1 1.99 0.01 . 1 . . . . . . . . 4314 1 420 . 1 1 61 61 LEU HD11 H 1 0.94 0.01 . 2 . . . . . . . . 4314 1 421 . 1 1 61 61 LEU HD12 H 1 0.94 0.01 . 2 . . . . . . . . 4314 1 422 . 1 1 61 61 LEU HD13 H 1 0.94 0.01 . 2 . . . . . . . . 4314 1 423 . 1 1 61 61 LEU HD21 H 1 0.80 0.01 . 2 . . . . . . . . 4314 1 424 . 1 1 61 61 LEU HD22 H 1 0.80 0.01 . 2 . . . . . . . . 4314 1 425 . 1 1 61 61 LEU HD23 H 1 0.80 0.01 . 2 . . . . . . . . 4314 1 426 . 1 1 62 62 LYS H H 1 8.17 0.01 . 1 . . . . . . . . 4314 1 427 . 1 1 62 62 LYS HA H 1 4.80 0.01 . 1 . . . . . . . . 4314 1 428 . 1 1 62 62 LYS HB2 H 1 1.91 0.01 . 1 . . . . . . . . 4314 1 429 . 1 1 62 62 LYS HB3 H 1 1.91 0.01 . 1 . . . . . . . . 4314 1 430 . 1 1 62 62 LYS HG2 H 1 1.56 0.01 . 1 . . . . . . . . 4314 1 431 . 1 1 62 62 LYS HG3 H 1 1.56 0.01 . 1 . . . . . . . . 4314 1 432 . 1 1 62 62 LYS HD2 H 1 1.76 0.01 . 1 . . . . . . . . 4314 1 433 . 1 1 62 62 LYS HD3 H 1 1.76 0.01 . 1 . . . . . . . . 4314 1 434 . 1 1 62 62 LYS HE2 H 1 3.04 0.01 . 1 . . . . . . . . 4314 1 435 . 1 1 62 62 LYS HE3 H 1 3.04 0.01 . 1 . . . . . . . . 4314 1 436 . 1 1 63 63 PRO HA H 1 4.17 0.01 . 1 . . . . . . . . 4314 1 437 . 1 1 63 63 PRO HB2 H 1 2.02 0.01 . 2 . . . . . . . . 4314 1 438 . 1 1 63 63 PRO HB3 H 1 1.69 0.01 . 2 . . . . . . . . 4314 1 439 . 1 1 63 63 PRO HG2 H 1 1.99 0.01 . 1 . . . . . . . . 4314 1 440 . 1 1 63 63 PRO HG3 H 1 1.99 0.01 . 1 . . . . . . . . 4314 1 441 . 1 1 63 63 PRO HD2 H 1 3.84 0.01 . 2 . . . . . . . . 4314 1 442 . 1 1 63 63 PRO HD3 H 1 3.64 0.01 . 2 . . . . . . . . 4314 1 443 . 1 1 64 64 TYR H H 1 8.35 0.01 . 1 . . . . . . . . 4314 1 444 . 1 1 64 64 TYR HA H 1 4.53 0.01 . 1 . . . . . . . . 4314 1 445 . 1 1 64 64 TYR HB2 H 1 3.07 0.01 . 2 . . . . . . . . 4314 1 446 . 1 1 64 64 TYR HB3 H 1 2.91 0.01 . 2 . . . . . . . . 4314 1 447 . 1 1 64 64 TYR HD1 H 1 7.00 0.01 . 1 . . . . . . . . 4314 1 448 . 1 1 64 64 TYR HD2 H 1 7.00 0.01 . 1 . . . . . . . . 4314 1 449 . 1 1 64 64 TYR HE1 H 1 6.72 0.01 . 1 . . . . . . . . 4314 1 450 . 1 1 64 64 TYR HE2 H 1 6.72 0.01 . 1 . . . . . . . . 4314 1 451 . 1 1 65 65 SER H H 1 7.82 0.01 . 1 . . . . . . . . 4314 1 452 . 1 1 65 65 SER HA H 1 4.37 0.01 . 1 . . . . . . . . 4314 1 453 . 1 1 65 65 SER HB2 H 1 3.69 0.01 . 2 . . . . . . . . 4314 1 454 . 1 1 65 65 SER HB3 H 1 3.65 0.01 . 2 . . . . . . . . 4314 1 455 . 1 1 66 66 ILE H H 1 7.75 0.01 . 1 . . . . . . . . 4314 1 456 . 1 1 66 66 ILE HA H 1 4.13 0.01 . 1 . . . . . . . . 4314 1 457 . 1 1 66 66 ILE HB H 1 1.76 0.01 . 1 . . . . . . . . 4314 1 458 . 1 1 66 66 ILE HG12 H 1 1.35 0.01 . 2 . . . . . . . . 4314 1 459 . 1 1 66 66 ILE HG13 H 1 1.09 0.01 . 2 . . . . . . . . 4314 1 460 . 1 1 66 66 ILE HG21 H 1 0.81 0.01 . 1 . . . . . . . . 4314 1 461 . 1 1 66 66 ILE HG22 H 1 0.81 0.01 . 1 . . . . . . . . 4314 1 462 . 1 1 66 66 ILE HG23 H 1 0.81 0.01 . 1 . . . . . . . . 4314 1 463 . 1 1 66 66 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 4314 1 464 . 1 1 66 66 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 4314 1 465 . 1 1 66 66 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 4314 1 stop_ save_