data_280 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 280 _Entry.Title ; Determination of the Secondary Structure of Interleukin-8 by Nuclear Magnetic Resonance Spectroscopy ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 G. Clore . Marius . 280 2 Ettore Appella . . . 280 3 Masaki Yamada . . . 280 4 Kouji Matsushima . . . 280 5 Angela Gronenborn . M. . 280 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 280 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 530 280 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 4 . . 2010-06-10 . revision BMRB 'Complete natural source information' 280 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 280 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 280 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 280 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 280 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Clore, G. Marius, Appella, Ettore, Yamada, Masaki, Matsushima, Kouji, Gronenborn, Angela M., "Determination of the Secondary Structure of Interleukin-8 by Nuclear Magnetic Resonance Spectroscopy," J. Biol. Chem. 264 (32), 18907-18911 (1989). ; _Citation.Title ; Determination of the Secondary Structure of Interleukin-8 by Nuclear Magnetic Resonance Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 264 _Citation.Journal_issue 32 _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 18907 _Citation.Page_last 18911 _Citation.Year 1989 _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 G. Clore . Marius . 280 1 2 Ettore Appella . . . 280 1 3 Masaki Yamada . . . 280 1 4 Kouji Matsushima . . . 280 1 5 Angela Gronenborn . M. . 280 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_interleukin_8 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_interleukin_8 _Assembly.Entry_ID 280 _Assembly.ID 1 _Assembly.Name 'interleukin 8' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'interleukin 8' 1 $interleukin_8 . . . . . . . . . 280 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'interleukin 8' system 280 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_interleukin_8 _Entity.Sf_category entity _Entity.Sf_framecode interleukin_8 _Entity.Entry_ID 280 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'interleukin 8' _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 ; SAKELRCQCIKTYSKPFHPK FIKELRVIESGPHCANTEII VKLSDGRELCLDPKENWVQR VVEKFLKRAENS ; _Entity.Polymer_seq_one_letter_code ; SAKELRCQCIKTYSKPFHPK FIKELRVIESGPHCANTEII VKLSDGRELCLDPKENWVQR VVEKFLKRAENS ; _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ICW . "Interleukin-8, Mutant With Glu 38 Replaced By Cys And Cys 50 Replaced By Ala" . . . . . 100.00 72 97.22 97.22 9.04e-42 . . . . 280 1 2 no PDB 1IKL . "Nmr Study Of Monomeric Human Interleukin-8 (Minimized Average Structure)" . . . . . 100.00 72 98.61 98.61 2.47e-43 . . . . 280 1 3 no PDB 1IKM . "Nmr Study Of Monomeric Human Interleukin-8 (30 Structures)" . . . . . 100.00 72 98.61 98.61 2.47e-43 . . . . 280 1 4 no PDB 1IL8 . "Three-Dimensional Structure Of Interleukin 8 In Solution" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 280 1 5 no PDB 1ILP . "Cxcr-1 N-Terminal Peptide Bound To Interleukin-8" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 280 1 6 no PDB 1ILQ . "Cxcr-1 N-Terminal Peptide Bound To Interleukin-8 (Minimized Mean)" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 280 1 7 no PDB 1QE6 . "Interleukin-8 With An Added Disulfide Between Residues 5 And 33 (l5c/h33c)" . . . . . 100.00 72 97.22 97.22 1.29e-41 . . . . 280 1 8 no PDB 2IL8 . "Three-Dimensional Structure Of Interleukin 8 In Solution" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 280 1 9 no PDB 3IL8 . "Crystal Structure Of Interleukin 8: Symbiosis Of Nmr And Crystallography" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 280 1 10 no DBJ BAA03245 . "LUCT/interleukin-8 [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 7.99e-45 . . . . 280 1 11 no DBJ BAG34815 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 7.99e-45 . . . . 280 1 12 no DBJ BAJ20387 . "interleukin 8 [synthetic construct]" . . . . . 100.00 99 100.00 100.00 7.99e-45 . . . . 280 1 13 no EMBL CAA68742 . "MDNCF precursor (AA -27 to 72) [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 7.99e-45 . . . . 280 1 14 no EMBL CAA77745 . "interleukin 8 [Homo sapiens]" . . . . . 97.22 97 100.00 100.00 3.35e-43 . . . . 280 1 15 no EMBL CAG46948 . "IL8 [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 7.99e-45 . . . . 280 1 16 no GB AAA35611 . "beta-thromboglobulin-like protein precursor [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 7.99e-45 . . . . 280 1 17 no GB AAA36323 . "monocyte-derived neutrophil-activating protein precursor [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 7.99e-45 . . . . 280 1 18 no GB AAA59158 . "interleukin 8 [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 7.99e-45 . . . . 280 1 19 no GB AAA74722 . "neutrophil-activating factor [synthetic construct]" . . . . . 100.00 73 100.00 100.00 2.64e-44 . . . . 280 1 20 no GB AAB01177 . "interleukin-8 [synthetic construct]" . . . . . 100.00 73 100.00 100.00 2.64e-44 . . . . 280 1 21 no REF NP_000575 . "interleukin-8 precursor [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 7.99e-45 . . . . 280 1 22 no REF XP_001156432 . "PREDICTED: interleukin-8 [Pan troglodytes]" . . . . . 100.00 99 100.00 100.00 7.99e-45 . . . . 280 1 23 no REF XP_002814902 . "PREDICTED: interleukin-8 isoform X1 [Pongo abelii]" . . . . . 98.61 101 100.00 100.00 3.09e-44 . . . . 280 1 24 no REF XP_002814903 . "PREDICTED: interleukin-8 [Pongo abelii]" . . . . . 98.61 101 100.00 100.00 3.09e-44 . . . . 280 1 25 no REF XP_003832383 . "PREDICTED: interleukin-8 [Pan paniscus]" . . . . . 100.00 99 100.00 100.00 7.99e-45 . . . . 280 1 26 no SP P10145 . "RecName: Full=Interleukin-8; Short=IL-8; AltName: Full=C-X-C motif chemokine 8; AltName: Full=Chemokine (C-X-C motif) ligand 8;" . . . . . 100.00 99 100.00 100.00 7.99e-45 . . . . 280 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'interleukin 8' common 280 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 . SER . 280 1 2 . ALA . 280 1 3 . LYS . 280 1 4 . GLU . 280 1 5 . LEU . 280 1 6 . ARG . 280 1 7 . CYS . 280 1 8 . GLN . 280 1 9 . CYS . 280 1 10 . ILE . 280 1 11 . LYS . 280 1 12 . THR . 280 1 13 . TYR . 280 1 14 . SER . 280 1 15 . LYS . 280 1 16 . PRO . 280 1 17 . PHE . 280 1 18 . HIS . 280 1 19 . PRO . 280 1 20 . LYS . 280 1 21 . PHE . 280 1 22 . ILE . 280 1 23 . LYS . 280 1 24 . GLU . 280 1 25 . LEU . 280 1 26 . ARG . 280 1 27 . VAL . 280 1 28 . ILE . 280 1 29 . GLU . 280 1 30 . SER . 280 1 31 . GLY . 280 1 32 . PRO . 280 1 33 . HIS . 280 1 34 . CYS . 280 1 35 . ALA . 280 1 36 . ASN . 280 1 37 . THR . 280 1 38 . GLU . 280 1 39 . ILE . 280 1 40 . ILE . 280 1 41 . VAL . 280 1 42 . LYS . 280 1 43 . LEU . 280 1 44 . SER . 280 1 45 . ASP . 280 1 46 . GLY . 280 1 47 . ARG . 280 1 48 . GLU . 280 1 49 . LEU . 280 1 50 . CYS . 280 1 51 . LEU . 280 1 52 . ASP . 280 1 53 . PRO . 280 1 54 . LYS . 280 1 55 . GLU . 280 1 56 . ASN . 280 1 57 . TRP . 280 1 58 . VAL . 280 1 59 . GLN . 280 1 60 . ARG . 280 1 61 . VAL . 280 1 62 . VAL . 280 1 63 . GLU . 280 1 64 . LYS . 280 1 65 . PHE . 280 1 66 . LEU . 280 1 67 . LYS . 280 1 68 . ARG . 280 1 69 . ALA . 280 1 70 . GLU . 280 1 71 . ASN . 280 1 72 . SER . 280 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 . SER 1 1 280 1 . ALA 2 2 280 1 . LYS 3 3 280 1 . GLU 4 4 280 1 . LEU 5 5 280 1 . ARG 6 6 280 1 . CYS 7 7 280 1 . GLN 8 8 280 1 . CYS 9 9 280 1 . ILE 10 10 280 1 . LYS 11 11 280 1 . THR 12 12 280 1 . TYR 13 13 280 1 . SER 14 14 280 1 . LYS 15 15 280 1 . PRO 16 16 280 1 . PHE 17 17 280 1 . HIS 18 18 280 1 . PRO 19 19 280 1 . LYS 20 20 280 1 . PHE 21 21 280 1 . ILE 22 22 280 1 . LYS 23 23 280 1 . GLU 24 24 280 1 . LEU 25 25 280 1 . ARG 26 26 280 1 . VAL 27 27 280 1 . ILE 28 28 280 1 . GLU 29 29 280 1 . SER 30 30 280 1 . GLY 31 31 280 1 . PRO 32 32 280 1 . HIS 33 33 280 1 . CYS 34 34 280 1 . ALA 35 35 280 1 . ASN 36 36 280 1 . THR 37 37 280 1 . GLU 38 38 280 1 . ILE 39 39 280 1 . ILE 40 40 280 1 . VAL 41 41 280 1 . LYS 42 42 280 1 . LEU 43 43 280 1 . SER 44 44 280 1 . ASP 45 45 280 1 . GLY 46 46 280 1 . ARG 47 47 280 1 . GLU 48 48 280 1 . LEU 49 49 280 1 . CYS 50 50 280 1 . LEU 51 51 280 1 . ASP 52 52 280 1 . PRO 53 53 280 1 . LYS 54 54 280 1 . GLU 55 55 280 1 . ASN 56 56 280 1 . TRP 57 57 280 1 . VAL 58 58 280 1 . GLN 59 59 280 1 . ARG 60 60 280 1 . VAL 61 61 280 1 . VAL 62 62 280 1 . GLU 63 63 280 1 . LYS 64 64 280 1 . PHE 65 65 280 1 . LEU 66 66 280 1 . LYS 67 67 280 1 . ARG 68 68 280 1 . ALA 69 69 280 1 . GLU 70 70 280 1 . ASN 71 71 280 1 . SER 72 72 280 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 280 _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 $interleukin_8 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens generic . . . monocyte . . . . . . . . . . . . . . . . 280 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 280 _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 $interleukin_8 . 'not available' 'Escherichia coli' . . . Escherichia coli HB101 . . . . . . . . . . . . . . . . . . . . . . 280 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 280 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 280 _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 5.2 . na 280 1 temperature 313 . K 280 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 280 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 280 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 280 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 280 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 280 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 280 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 280 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 280 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 280 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 SER HA H 1 4.16 . . 1 . . . . . . . . 280 1 2 . 1 1 1 1 SER HB2 H 1 4.01 . . 1 . . . . . . . . 280 1 3 . 1 1 1 1 SER HB3 H 1 4.01 . . 1 . . . . . . . . 280 1 4 . 1 1 2 2 ALA H H 1 8.22 . . 1 . . . . . . . . 280 1 5 . 1 1 2 2 ALA HA H 1 4.39 . . 1 . . . . . . . . 280 1 6 . 1 1 2 2 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 280 1 7 . 1 1 2 2 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 280 1 8 . 1 1 2 2 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 280 1 9 . 1 1 3 3 LYS H H 1 8.22 . . 1 . . . . . . . . 280 1 10 . 1 1 3 3 LYS HA H 1 4.25 . . 1 . . . . . . . . 280 1 11 . 1 1 3 3 LYS HB2 H 1 1.77 . . 1 . . . . . . . . 280 1 12 . 1 1 3 3 LYS HB3 H 1 1.77 . . 1 . . . . . . . . 280 1 13 . 1 1 4 4 GLU H H 1 8.24 . . 1 . . . . . . . . 280 1 14 . 1 1 4 4 GLU HA H 1 4.3 . . 1 . . . . . . . . 280 1 15 . 1 1 4 4 GLU HB2 H 1 1.95 . . 2 . . . . . . . . 280 1 16 . 1 1 4 4 GLU HB3 H 1 2.02 . . 2 . . . . . . . . 280 1 17 . 1 1 4 4 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 280 1 18 . 1 1 4 4 GLU HG3 H 1 2.25 . . 1 . . . . . . . . 280 1 19 . 1 1 5 5 LEU H H 1 8.13 . . 1 . . . . . . . . 280 1 20 . 1 1 5 5 LEU HA H 1 4.42 . . 1 . . . . . . . . 280 1 21 . 1 1 5 5 LEU HB2 H 1 1.54 . . 2 . . . . . . . . 280 1 22 . 1 1 5 5 LEU HB3 H 1 1.69 . . 2 . . . . . . . . 280 1 23 . 1 1 5 5 LEU HG H 1 1.61 . . 1 . . . . . . . . 280 1 24 . 1 1 5 5 LEU HD11 H 1 .82 . . 2 . . . . . . . . 280 1 25 . 1 1 5 5 LEU HD12 H 1 .82 . . 2 . . . . . . . . 280 1 26 . 1 1 5 5 LEU HD13 H 1 .82 . . 2 . . . . . . . . 280 1 27 . 1 1 5 5 LEU HD21 H 1 .9 . . 2 . . . . . . . . 280 1 28 . 1 1 5 5 LEU HD22 H 1 .9 . . 2 . . . . . . . . 280 1 29 . 1 1 5 5 LEU HD23 H 1 .9 . . 2 . . . . . . . . 280 1 30 . 1 1 6 6 ARG H H 1 8.24 . . 1 . . . . . . . . 280 1 31 . 1 1 6 6 ARG HA H 1 4.92 . . 1 . . . . . . . . 280 1 32 . 1 1 6 6 ARG HB2 H 1 1.8 . . 2 . . . . . . . . 280 1 33 . 1 1 6 6 ARG HB3 H 1 2.1 . . 2 . . . . . . . . 280 1 34 . 1 1 6 6 ARG HG2 H 1 1.58 . . 1 . . . . . . . . 280 1 35 . 1 1 6 6 ARG HG3 H 1 1.58 . . 1 . . . . . . . . 280 1 36 . 1 1 6 6 ARG HD2 H 1 3.2 . . 1 . . . . . . . . 280 1 37 . 1 1 6 6 ARG HD3 H 1 3.2 . . 1 . . . . . . . . 280 1 38 . 1 1 6 6 ARG HE H 1 7.18 . . 1 . . . . . . . . 280 1 39 . 1 1 7 7 CYS H H 1 8.07 . . 1 . . . . . . . . 280 1 40 . 1 1 7 7 CYS HA H 1 4.69 . . 1 . . . . . . . . 280 1 41 . 1 1 7 7 CYS HB2 H 1 2.72 . . 2 . . . . . . . . 280 1 42 . 1 1 7 7 CYS HB3 H 1 4.04 . . 2 . . . . . . . . 280 1 43 . 1 1 8 8 GLN H H 1 11.94 . . 1 . . . . . . . . 280 1 44 . 1 1 8 8 GLN HA H 1 4.24 . . 1 . . . . . . . . 280 1 45 . 1 1 8 8 GLN HB2 H 1 2.03 . . 2 . . . . . . . . 280 1 46 . 1 1 8 8 GLN HB3 H 1 2.14 . . 2 . . . . . . . . 280 1 47 . 1 1 8 8 GLN HG2 H 1 2.3 . . 2 . . . . . . . . 280 1 48 . 1 1 8 8 GLN HG3 H 1 2.41 . . 2 . . . . . . . . 280 1 49 . 1 1 8 8 GLN HE21 H 1 6.63 . . 2 . . . . . . . . 280 1 50 . 1 1 8 8 GLN HE22 H 1 7.55 . . 2 . . . . . . . . 280 1 51 . 1 1 9 9 CYS H H 1 9.58 . . 1 . . . . . . . . 280 1 52 . 1 1 9 9 CYS HA H 1 4.76 . . 1 . . . . . . . . 280 1 53 . 1 1 9 9 CYS HB2 H 1 2.72 . . 2 . . . . . . . . 280 1 54 . 1 1 9 9 CYS HB3 H 1 3.4 . . 2 . . . . . . . . 280 1 55 . 1 1 10 10 ILE H H 1 8.58 . . 1 . . . . . . . . 280 1 56 . 1 1 10 10 ILE HA H 1 4.18 . . 1 . . . . . . . . 280 1 57 . 1 1 10 10 ILE HB H 1 1.94 . . 1 . . . . . . . . 280 1 58 . 1 1 10 10 ILE HG12 H 1 1.25 . . 2 . . . . . . . . 280 1 59 . 1 1 10 10 ILE HG13 H 1 1.49 . . 2 . . . . . . . . 280 1 60 . 1 1 10 10 ILE HG21 H 1 .96 . . 1 . . . . . . . . 280 1 61 . 1 1 10 10 ILE HG22 H 1 .96 . . 1 . . . . . . . . 280 1 62 . 1 1 10 10 ILE HG23 H 1 .96 . . 1 . . . . . . . . 280 1 63 . 1 1 10 10 ILE HD11 H 1 .89 . . 1 . . . . . . . . 280 1 64 . 1 1 10 10 ILE HD12 H 1 .89 . . 1 . . . . . . . . 280 1 65 . 1 1 10 10 ILE HD13 H 1 .89 . . 1 . . . . . . . . 280 1 66 . 1 1 11 11 LYS H H 1 7.75 . . 1 . . . . . . . . 280 1 67 . 1 1 11 11 LYS HA H 1 4.69 . . 1 . . . . . . . . 280 1 68 . 1 1 11 11 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 280 1 69 . 1 1 11 11 LYS HB3 H 1 1.94 . . 2 . . . . . . . . 280 1 70 . 1 1 11 11 LYS HG2 H 1 1.44 . . 2 . . . . . . . . 280 1 71 . 1 1 11 11 LYS HG3 H 1 1.49 . . 2 . . . . . . . . 280 1 72 . 1 1 11 11 LYS HD2 H 1 1.77 . . 1 . . . . . . . . 280 1 73 . 1 1 11 11 LYS HD3 H 1 1.77 . . 1 . . . . . . . . 280 1 74 . 1 1 11 11 LYS HE2 H 1 3.06 . . 1 . . . . . . . . 280 1 75 . 1 1 11 11 LYS HE3 H 1 3.06 . . 1 . . . . . . . . 280 1 76 . 1 1 12 12 THR H H 1 8.29 . . 1 . . . . . . . . 280 1 77 . 1 1 12 12 THR HA H 1 4.59 . . 1 . . . . . . . . 280 1 78 . 1 1 12 12 THR HB H 1 4.21 . . 1 . . . . . . . . 280 1 79 . 1 1 12 12 THR HG21 H 1 1.04 . . 1 . . . . . . . . 280 1 80 . 1 1 12 12 THR HG22 H 1 1.04 . . 1 . . . . . . . . 280 1 81 . 1 1 12 12 THR HG23 H 1 1.04 . . 1 . . . . . . . . 280 1 82 . 1 1 13 13 TYR H H 1 8.95 . . 1 . . . . . . . . 280 1 83 . 1 1 13 13 TYR HA H 1 4.73 . . 1 . . . . . . . . 280 1 84 . 1 1 13 13 TYR HB2 H 1 3.18 . . 1 . . . . . . . . 280 1 85 . 1 1 13 13 TYR HB3 H 1 3.18 . . 1 . . . . . . . . 280 1 86 . 1 1 13 13 TYR HD1 H 1 7.36 . . 1 . . . . . . . . 280 1 87 . 1 1 13 13 TYR HD2 H 1 7.36 . . 1 . . . . . . . . 280 1 88 . 1 1 13 13 TYR HE1 H 1 7.19 . . 1 . . . . . . . . 280 1 89 . 1 1 13 13 TYR HE2 H 1 7.19 . . 1 . . . . . . . . 280 1 90 . 1 1 14 14 SER H H 1 8.15 . . 1 . . . . . . . . 280 1 91 . 1 1 14 14 SER HA H 1 4.87 . . 1 . . . . . . . . 280 1 92 . 1 1 14 14 SER HB2 H 1 3.99 . . 2 . . . . . . . . 280 1 93 . 1 1 14 14 SER HB3 H 1 4.02 . . 2 . . . . . . . . 280 1 94 . 1 1 15 15 LYS H H 1 6.29 . . 1 . . . . . . . . 280 1 95 . 1 1 15 15 LYS HA H 1 4.57 . . 1 . . . . . . . . 280 1 96 . 1 1 15 15 LYS HB2 H 1 1.47 . . 2 . . . . . . . . 280 1 97 . 1 1 15 15 LYS HB3 H 1 1.64 . . 2 . . . . . . . . 280 1 98 . 1 1 15 15 LYS HG2 H 1 1.23 . . 1 . . . . . . . . 280 1 99 . 1 1 15 15 LYS HG3 H 1 1.23 . . 1 . . . . . . . . 280 1 100 . 1 1 15 15 LYS HD2 H 1 1.66 . . 1 . . . . . . . . 280 1 101 . 1 1 15 15 LYS HD3 H 1 1.66 . . 1 . . . . . . . . 280 1 102 . 1 1 15 15 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 280 1 103 . 1 1 15 15 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 280 1 104 . 1 1 16 16 PRO HA H 1 1.63 . . 1 . . . . . . . . 280 1 105 . 1 1 16 16 PRO HB2 H 1 1.07 . . 2 . . . . . . . . 280 1 106 . 1 1 16 16 PRO HB3 H 1 1.21 . . 2 . . . . . . . . 280 1 107 . 1 1 16 16 PRO HG2 H 1 .17 . . 2 . . . . . . . . 280 1 108 . 1 1 16 16 PRO HG3 H 1 1.45 . . 2 . . . . . . . . 280 1 109 . 1 1 16 16 PRO HD2 H 1 3.17 . . 2 . . . . . . . . 280 1 110 . 1 1 16 16 PRO HD3 H 1 3.5 . . 2 . . . . . . . . 280 1 111 . 1 1 17 17 PHE H H 1 5.86 . . 1 . . . . . . . . 280 1 112 . 1 1 17 17 PHE HA H 1 4.96 . . 1 . . . . . . . . 280 1 113 . 1 1 17 17 PHE HB2 H 1 3.16 . . 2 . . . . . . . . 280 1 114 . 1 1 17 17 PHE HB3 H 1 3.23 . . 2 . . . . . . . . 280 1 115 . 1 1 17 17 PHE HD1 H 1 7.68 . . 1 . . . . . . . . 280 1 116 . 1 1 17 17 PHE HD2 H 1 7.68 . . 1 . . . . . . . . 280 1 117 . 1 1 17 17 PHE HE1 H 1 7.34 . . 1 . . . . . . . . 280 1 118 . 1 1 17 17 PHE HE2 H 1 7.34 . . 1 . . . . . . . . 280 1 119 . 1 1 17 17 PHE HZ H 1 7.17 . . 1 . . . . . . . . 280 1 120 . 1 1 18 18 HIS H H 1 8.59 . . 1 . . . . . . . . 280 1 121 . 1 1 18 18 HIS HA H 1 4.67 . . 1 . . . . . . . . 280 1 122 . 1 1 18 18 HIS HB2 H 1 3.17 . . 2 . . . . . . . . 280 1 123 . 1 1 18 18 HIS HB3 H 1 3.29 . . 2 . . . . . . . . 280 1 124 . 1 1 18 18 HIS HD2 H 1 7.23 . . 1 . . . . . . . . 280 1 125 . 1 1 18 18 HIS HE1 H 1 7.83 . . 1 . . . . . . . . 280 1 126 . 1 1 19 19 PRO HA H 1 4.44 . . 1 . . . . . . . . 280 1 127 . 1 1 19 19 PRO HB2 H 1 2.13 . . 2 . . . . . . . . 280 1 128 . 1 1 19 19 PRO HB3 H 1 2.56 . . 2 . . . . . . . . 280 1 129 . 1 1 19 19 PRO HG2 H 1 1.93 . . 2 . . . . . . . . 280 1 130 . 1 1 19 19 PRO HG3 H 1 1.98 . . 2 . . . . . . . . 280 1 131 . 1 1 19 19 PRO HD2 H 1 2.82 . . 2 . . . . . . . . 280 1 132 . 1 1 19 19 PRO HD3 H 1 3.98 . . 2 . . . . . . . . 280 1 133 . 1 1 20 20 LYS H H 1 11.53 . . 1 . . . . . . . . 280 1 134 . 1 1 20 20 LYS HA H 1 4.3 . . 1 . . . . . . . . 280 1 135 . 1 1 20 20 LYS HB2 H 1 1.74 . . 2 . . . . . . . . 280 1 136 . 1 1 20 20 LYS HB3 H 1 1.83 . . 2 . . . . . . . . 280 1 137 . 1 1 20 20 LYS HG2 H 1 .32 . . 1 . . . . . . . . 280 1 138 . 1 1 20 20 LYS HG3 H 1 .32 . . 1 . . . . . . . . 280 1 139 . 1 1 20 20 LYS HD2 H 1 .91 . . 2 . . . . . . . . 280 1 140 . 1 1 20 20 LYS HD3 H 1 1.1 . . 2 . . . . . . . . 280 1 141 . 1 1 20 20 LYS HE2 H 1 2.35 . . 1 . . . . . . . . 280 1 142 . 1 1 20 20 LYS HE3 H 1 2.35 . . 1 . . . . . . . . 280 1 143 . 1 1 21 21 PHE H H 1 7.79 . . 1 . . . . . . . . 280 1 144 . 1 1 21 21 PHE HA H 1 4.59 . . 1 . . . . . . . . 280 1 145 . 1 1 21 21 PHE HB2 H 1 2.98 . . 2 . . . . . . . . 280 1 146 . 1 1 21 21 PHE HB3 H 1 3.44 . . 2 . . . . . . . . 280 1 147 . 1 1 21 21 PHE HD1 H 1 7.7 . . 1 . . . . . . . . 280 1 148 . 1 1 21 21 PHE HD2 H 1 7.7 . . 1 . . . . . . . . 280 1 149 . 1 1 21 21 PHE HE1 H 1 7.53 . . 1 . . . . . . . . 280 1 150 . 1 1 21 21 PHE HE2 H 1 7.53 . . 1 . . . . . . . . 280 1 151 . 1 1 21 21 PHE HZ H 1 7.39 . . 1 . . . . . . . . 280 1 152 . 1 1 22 22 ILE H H 1 7.82 . . 1 . . . . . . . . 280 1 153 . 1 1 22 22 ILE HA H 1 3.7 . . 1 . . . . . . . . 280 1 154 . 1 1 22 22 ILE HB H 1 1.69 . . 1 . . . . . . . . 280 1 155 . 1 1 22 22 ILE HG12 H 1 .79 . . 2 . . . . . . . . 280 1 156 . 1 1 22 22 ILE HG13 H 1 .91 . . 2 . . . . . . . . 280 1 157 . 1 1 22 22 ILE HG21 H 1 -.07 . . 1 . . . . . . . . 280 1 158 . 1 1 22 22 ILE HG22 H 1 -.07 . . 1 . . . . . . . . 280 1 159 . 1 1 22 22 ILE HG23 H 1 -.07 . . 1 . . . . . . . . 280 1 160 . 1 1 22 22 ILE HD11 H 1 .31 . . 1 . . . . . . . . 280 1 161 . 1 1 22 22 ILE HD12 H 1 .31 . . 1 . . . . . . . . 280 1 162 . 1 1 22 22 ILE HD13 H 1 .31 . . 1 . . . . . . . . 280 1 163 . 1 1 23 23 LYS H H 1 8.72 . . 1 . . . . . . . . 280 1 164 . 1 1 23 23 LYS HA H 1 4.98 . . 1 . . . . . . . . 280 1 165 . 1 1 23 23 LYS HB2 H 1 1.59 . . 2 . . . . . . . . 280 1 166 . 1 1 23 23 LYS HB3 H 1 2 . . 2 . . . . . . . . 280 1 167 . 1 1 24 24 GLU H H 1 7.69 . . 1 . . . . . . . . 280 1 168 . 1 1 24 24 GLU HA H 1 5.4 . . 1 . . . . . . . . 280 1 169 . 1 1 24 24 GLU HB2 H 1 1.98 . . 2 . . . . . . . . 280 1 170 . 1 1 24 24 GLU HB3 H 1 2.08 . . 2 . . . . . . . . 280 1 171 . 1 1 24 24 GLU HG2 H 1 2.26 . . 1 . . . . . . . . 280 1 172 . 1 1 24 24 GLU HG3 H 1 2.26 . . 1 . . . . . . . . 280 1 173 . 1 1 25 25 LEU H H 1 8.96 . . 1 . . . . . . . . 280 1 174 . 1 1 25 25 LEU HA H 1 4.97 . . 1 . . . . . . . . 280 1 175 . 1 1 25 25 LEU HB2 H 1 1.35 . . 2 . . . . . . . . 280 1 176 . 1 1 25 25 LEU HB3 H 1 1.9 . . 2 . . . . . . . . 280 1 177 . 1 1 25 25 LEU HG H 1 1.5 . . 1 . . . . . . . . 280 1 178 . 1 1 25 25 LEU HD11 H 1 .85 . . 2 . . . . . . . . 280 1 179 . 1 1 25 25 LEU HD12 H 1 .85 . . 2 . . . . . . . . 280 1 180 . 1 1 25 25 LEU HD13 H 1 .85 . . 2 . . . . . . . . 280 1 181 . 1 1 25 25 LEU HD21 H 1 .99 . . 2 . . . . . . . . 280 1 182 . 1 1 25 25 LEU HD22 H 1 .99 . . 2 . . . . . . . . 280 1 183 . 1 1 25 25 LEU HD23 H 1 .99 . . 2 . . . . . . . . 280 1 184 . 1 1 26 26 ARG H H 1 9.33 . . 1 . . . . . . . . 280 1 185 . 1 1 26 26 ARG HA H 1 5.74 . . 1 . . . . . . . . 280 1 186 . 1 1 26 26 ARG HB2 H 1 1.74 . . 2 . . . . . . . . 280 1 187 . 1 1 26 26 ARG HB3 H 1 1.51 . . 2 . . . . . . . . 280 1 188 . 1 1 26 26 ARG HG2 H 1 1.8 . . 2 . . . . . . . . 280 1 189 . 1 1 26 26 ARG HG3 H 1 1.89 . . 2 . . . . . . . . 280 1 190 . 1 1 26 26 ARG HD2 H 1 3.11 . . 1 . . . . . . . . 280 1 191 . 1 1 26 26 ARG HD3 H 1 3.11 . . 1 . . . . . . . . 280 1 192 . 1 1 26 26 ARG HE H 1 7.28 . . 1 . . . . . . . . 280 1 193 . 1 1 27 27 VAL H H 1 9.42 . . 1 . . . . . . . . 280 1 194 . 1 1 27 27 VAL HA H 1 5.12 . . 1 . . . . . . . . 280 1 195 . 1 1 27 27 VAL HB H 1 2.26 . . 1 . . . . . . . . 280 1 196 . 1 1 27 27 VAL HG11 H 1 .8 . . 2 . . . . . . . . 280 1 197 . 1 1 27 27 VAL HG12 H 1 .8 . . 2 . . . . . . . . 280 1 198 . 1 1 27 27 VAL HG13 H 1 .8 . . 2 . . . . . . . . 280 1 199 . 1 1 27 27 VAL HG21 H 1 1.1 . . 2 . . . . . . . . 280 1 200 . 1 1 27 27 VAL HG22 H 1 1.1 . . 2 . . . . . . . . 280 1 201 . 1 1 27 27 VAL HG23 H 1 1.1 . . 2 . . . . . . . . 280 1 202 . 1 1 28 28 ILE H H 1 9.38 . . 1 . . . . . . . . 280 1 203 . 1 1 28 28 ILE HA H 1 4.67 . . 1 . . . . . . . . 280 1 204 . 1 1 28 28 ILE HB H 1 2.07 . . 1 . . . . . . . . 280 1 205 . 1 1 28 28 ILE HG12 H 1 .99 . . 2 . . . . . . . . 280 1 206 . 1 1 28 28 ILE HG13 H 1 1.43 . . 2 . . . . . . . . 280 1 207 . 1 1 28 28 ILE HG21 H 1 1.08 . . 1 . . . . . . . . 280 1 208 . 1 1 28 28 ILE HG22 H 1 1.08 . . 1 . . . . . . . . 280 1 209 . 1 1 28 28 ILE HG23 H 1 1.08 . . 1 . . . . . . . . 280 1 210 . 1 1 28 28 ILE HD11 H 1 .87 . . 1 . . . . . . . . 280 1 211 . 1 1 28 28 ILE HD12 H 1 .87 . . 1 . . . . . . . . 280 1 212 . 1 1 28 28 ILE HD13 H 1 .87 . . 1 . . . . . . . . 280 1 213 . 1 1 29 29 GLU H H 1 8.39 . . 1 . . . . . . . . 280 1 214 . 1 1 29 29 GLU HA H 1 4.47 . . 1 . . . . . . . . 280 1 215 . 1 1 29 29 GLU HB2 H 1 2.24 . . 2 . . . . . . . . 280 1 216 . 1 1 29 29 GLU HB3 H 1 2.46 . . 2 . . . . . . . . 280 1 217 . 1 1 29 29 GLU HG2 H 1 3.14 . . 1 . . . . . . . . 280 1 218 . 1 1 29 29 GLU HG3 H 1 3.14 . . 1 . . . . . . . . 280 1 219 . 1 1 30 30 SER H H 1 7.67 . . 1 . . . . . . . . 280 1 220 . 1 1 30 30 SER HA H 1 4.2 . . 1 . . . . . . . . 280 1 221 . 1 1 30 30 SER HB2 H 1 3.76 . . 2 . . . . . . . . 280 1 222 . 1 1 30 30 SER HB3 H 1 3.91 . . 2 . . . . . . . . 280 1 223 . 1 1 31 31 GLY H H 1 8.21 . . 1 . . . . . . . . 280 1 224 . 1 1 31 31 GLY HA2 H 1 4.14 . . 2 . . . . . . . . 280 1 225 . 1 1 31 31 GLY HA3 H 1 4.23 . . 2 . . . . . . . . 280 1 226 . 1 1 32 32 PRO HA H 1 4.21 . . 1 . . . . . . . . 280 1 227 . 1 1 32 32 PRO HB2 H 1 1.79 . . 2 . . . . . . . . 280 1 228 . 1 1 32 32 PRO HB3 H 1 2.37 . . 2 . . . . . . . . 280 1 229 . 1 1 32 32 PRO HG2 H 1 1.99 . . 2 . . . . . . . . 280 1 230 . 1 1 32 32 PRO HG3 H 1 2.04 . . 2 . . . . . . . . 280 1 231 . 1 1 32 32 PRO HD2 H 1 3.84 . . 2 . . . . . . . . 280 1 232 . 1 1 32 32 PRO HD3 H 1 3.66 . . 2 . . . . . . . . 280 1 233 . 1 1 33 33 HIS H H 1 8.31 . . 1 . . . . . . . . 280 1 234 . 1 1 33 33 HIS HA H 1 4.5 . . 1 . . . . . . . . 280 1 235 . 1 1 33 33 HIS HB2 H 1 3.05 . . 1 . . . . . . . . 280 1 236 . 1 1 33 33 HIS HB3 H 1 3.05 . . 1 . . . . . . . . 280 1 237 . 1 1 33 33 HIS HD2 H 1 7.1 . . 1 . . . . . . . . 280 1 238 . 1 1 33 33 HIS HE1 H 1 8.02 . . 1 . . . . . . . . 280 1 239 . 1 1 34 34 CYS H H 1 6.74 . . 1 . . . . . . . . 280 1 240 . 1 1 34 34 CYS HA H 1 4.54 . . 1 . . . . . . . . 280 1 241 . 1 1 34 34 CYS HB2 H 1 2.78 . . 2 . . . . . . . . 280 1 242 . 1 1 34 34 CYS HB3 H 1 3.02 . . 2 . . . . . . . . 280 1 243 . 1 1 35 35 ALA H H 1 8.73 . . 1 . . . . . . . . 280 1 244 . 1 1 35 35 ALA HA H 1 4.23 . . 1 . . . . . . . . 280 1 245 . 1 1 35 35 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 280 1 246 . 1 1 35 35 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 280 1 247 . 1 1 35 35 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 280 1 248 . 1 1 36 36 ASN H H 1 7.41 . . 1 . . . . . . . . 280 1 249 . 1 1 36 36 ASN HA H 1 5.14 . . 1 . . . . . . . . 280 1 250 . 1 1 36 36 ASN HB2 H 1 2.58 . . 2 . . . . . . . . 280 1 251 . 1 1 36 36 ASN HB3 H 1 2.83 . . 2 . . . . . . . . 280 1 252 . 1 1 36 36 ASN HD21 H 1 6.96 . . 2 . . . . . . . . 280 1 253 . 1 1 36 36 ASN HD22 H 1 7.53 . . 2 . . . . . . . . 280 1 254 . 1 1 37 37 THR H H 1 9.07 . . 1 . . . . . . . . 280 1 255 . 1 1 37 37 THR HA H 1 4.59 . . 1 . . . . . . . . 280 1 256 . 1 1 37 37 THR HB H 1 4.1 . . 1 . . . . . . . . 280 1 257 . 1 1 37 37 THR HG21 H 1 .96 . . 1 . . . . . . . . 280 1 258 . 1 1 37 37 THR HG22 H 1 .96 . . 1 . . . . . . . . 280 1 259 . 1 1 37 37 THR HG23 H 1 .96 . . 1 . . . . . . . . 280 1 260 . 1 1 38 38 GLU H H 1 8.48 . . 1 . . . . . . . . 280 1 261 . 1 1 38 38 GLU HA H 1 4.98 . . 1 . . . . . . . . 280 1 262 . 1 1 38 38 GLU HB2 H 1 2.03 . . 1 . . . . . . . . 280 1 263 . 1 1 38 38 GLU HB3 H 1 2.03 . . 1 . . . . . . . . 280 1 264 . 1 1 38 38 GLU HG2 H 1 2.48 . . 1 . . . . . . . . 280 1 265 . 1 1 38 38 GLU HG3 H 1 2.48 . . 1 . . . . . . . . 280 1 266 . 1 1 39 39 ILE H H 1 8.71 . . 1 . . . . . . . . 280 1 267 . 1 1 39 39 ILE HA H 1 4.9 . . 1 . . . . . . . . 280 1 268 . 1 1 39 39 ILE HB H 1 1.95 . . 1 . . . . . . . . 280 1 269 . 1 1 39 39 ILE HG12 H 1 1.12 . . 2 . . . . . . . . 280 1 270 . 1 1 39 39 ILE HG13 H 1 1.53 . . 2 . . . . . . . . 280 1 271 . 1 1 39 39 ILE HG21 H 1 .7 . . 1 . . . . . . . . 280 1 272 . 1 1 39 39 ILE HG22 H 1 .7 . . 1 . . . . . . . . 280 1 273 . 1 1 39 39 ILE HG23 H 1 .7 . . 1 . . . . . . . . 280 1 274 . 1 1 39 39 ILE HD11 H 1 .69 . . 1 . . . . . . . . 280 1 275 . 1 1 39 39 ILE HD12 H 1 .69 . . 1 . . . . . . . . 280 1 276 . 1 1 39 39 ILE HD13 H 1 .69 . . 1 . . . . . . . . 280 1 277 . 1 1 40 40 ILE H H 1 9.32 . . 1 . . . . . . . . 280 1 278 . 1 1 40 40 ILE HA H 1 5.09 . . 1 . . . . . . . . 280 1 279 . 1 1 40 40 ILE HB H 1 1.59 . . 1 . . . . . . . . 280 1 280 . 1 1 40 40 ILE HG12 H 1 1.15 . . 2 . . . . . . . . 280 1 281 . 1 1 40 40 ILE HG13 H 1 1.47 . . 2 . . . . . . . . 280 1 282 . 1 1 40 40 ILE HG21 H 1 .8 . . 1 . . . . . . . . 280 1 283 . 1 1 40 40 ILE HG22 H 1 .8 . . 1 . . . . . . . . 280 1 284 . 1 1 40 40 ILE HG23 H 1 .8 . . 1 . . . . . . . . 280 1 285 . 1 1 40 40 ILE HD11 H 1 .75 . . 1 . . . . . . . . 280 1 286 . 1 1 40 40 ILE HD12 H 1 .75 . . 1 . . . . . . . . 280 1 287 . 1 1 40 40 ILE HD13 H 1 .75 . . 1 . . . . . . . . 280 1 288 . 1 1 41 41 VAL H H 1 9.26 . . 1 . . . . . . . . 280 1 289 . 1 1 41 41 VAL HA H 1 5.39 . . 1 . . . . . . . . 280 1 290 . 1 1 41 41 VAL HB H 1 2.07 . . 1 . . . . . . . . 280 1 291 . 1 1 41 41 VAL HG11 H 1 .88 . . 2 . . . . . . . . 280 1 292 . 1 1 41 41 VAL HG12 H 1 .88 . . 2 . . . . . . . . 280 1 293 . 1 1 41 41 VAL HG13 H 1 .88 . . 2 . . . . . . . . 280 1 294 . 1 1 41 41 VAL HG21 H 1 .95 . . 2 . . . . . . . . 280 1 295 . 1 1 41 41 VAL HG22 H 1 .95 . . 2 . . . . . . . . 280 1 296 . 1 1 41 41 VAL HG23 H 1 .95 . . 2 . . . . . . . . 280 1 297 . 1 1 42 42 LYS H H 1 8.37 . . 1 . . . . . . . . 280 1 298 . 1 1 42 42 LYS HA H 1 5.2 . . 1 . . . . . . . . 280 1 299 . 1 1 42 42 LYS HB2 H 1 1.58 . . 2 . . . . . . . . 280 1 300 . 1 1 42 42 LYS HB3 H 1 1.75 . . 2 . . . . . . . . 280 1 301 . 1 1 42 42 LYS HG2 H 1 1.33 . . 1 . . . . . . . . 280 1 302 . 1 1 42 42 LYS HG3 H 1 1.33 . . 1 . . . . . . . . 280 1 303 . 1 1 42 42 LYS HD2 H 1 1.59 . . 1 . . . . . . . . 280 1 304 . 1 1 42 42 LYS HD3 H 1 1.59 . . 1 . . . . . . . . 280 1 305 . 1 1 42 42 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 280 1 306 . 1 1 42 42 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 280 1 307 . 1 1 43 43 LEU H H 1 8.93 . . 1 . . . . . . . . 280 1 308 . 1 1 43 43 LEU HA H 1 5.45 . . 1 . . . . . . . . 280 1 309 . 1 1 43 43 LEU HB2 H 1 1.5 . . 2 . . . . . . . . 280 1 310 . 1 1 43 43 LEU HB3 H 1 2.13 . . 2 . . . . . . . . 280 1 311 . 1 1 43 43 LEU HG H 1 1.32 . . 1 . . . . . . . . 280 1 312 . 1 1 43 43 LEU HD11 H 1 .29 . . 2 . . . . . . . . 280 1 313 . 1 1 43 43 LEU HD12 H 1 .29 . . 2 . . . . . . . . 280 1 314 . 1 1 43 43 LEU HD13 H 1 .29 . . 2 . . . . . . . . 280 1 315 . 1 1 43 43 LEU HD21 H 1 .33 . . 2 . . . . . . . . 280 1 316 . 1 1 43 43 LEU HD22 H 1 .33 . . 2 . . . . . . . . 280 1 317 . 1 1 43 43 LEU HD23 H 1 .33 . . 2 . . . . . . . . 280 1 318 . 1 1 44 44 SER H H 1 9.32 . . 1 . . . . . . . . 280 1 319 . 1 1 44 44 SER HA H 1 4.11 . . 1 . . . . . . . . 280 1 320 . 1 1 44 44 SER HB2 H 1 3.93 . . 2 . . . . . . . . 280 1 321 . 1 1 44 44 SER HB3 H 1 4.19 . . 2 . . . . . . . . 280 1 322 . 1 1 45 45 ASP H H 1 7.33 . . 1 . . . . . . . . 280 1 323 . 1 1 45 45 ASP HA H 1 4.61 . . 1 . . . . . . . . 280 1 324 . 1 1 45 45 ASP HB2 H 1 2.5 . . 2 . . . . . . . . 280 1 325 . 1 1 45 45 ASP HB3 H 1 3.04 . . 2 . . . . . . . . 280 1 326 . 1 1 46 46 GLY H H 1 7.99 . . 1 . . . . . . . . 280 1 327 . 1 1 46 46 GLY HA2 H 1 3.55 . . 2 . . . . . . . . 280 1 328 . 1 1 46 46 GLY HA3 H 1 4.18 . . 2 . . . . . . . . 280 1 329 . 1 1 47 47 ARG H H 1 7.88 . . 1 . . . . . . . . 280 1 330 . 1 1 47 47 ARG HA H 1 4.1 . . 1 . . . . . . . . 280 1 331 . 1 1 47 47 ARG HB2 H 1 1.31 . . 2 . . . . . . . . 280 1 332 . 1 1 47 47 ARG HB3 H 1 1.83 . . 2 . . . . . . . . 280 1 333 . 1 1 47 47 ARG HG2 H 1 1.57 . . 1 . . . . . . . . 280 1 334 . 1 1 47 47 ARG HG3 H 1 1.57 . . 1 . . . . . . . . 280 1 335 . 1 1 47 47 ARG HD2 H 1 2.86 . . 2 . . . . . . . . 280 1 336 . 1 1 47 47 ARG HD3 H 1 3.19 . . 2 . . . . . . . . 280 1 337 . 1 1 47 47 ARG HE H 1 8.04 . . 1 . . . . . . . . 280 1 338 . 1 1 48 48 GLU H H 1 8.09 . . 1 . . . . . . . . 280 1 339 . 1 1 48 48 GLU HA H 1 5.38 . . 1 . . . . . . . . 280 1 340 . 1 1 48 48 GLU HB2 H 1 1.8 . . 2 . . . . . . . . 280 1 341 . 1 1 48 48 GLU HB3 H 1 1.9 . . 2 . . . . . . . . 280 1 342 . 1 1 48 48 GLU HG2 H 1 2.1 . . 1 . . . . . . . . 280 1 343 . 1 1 48 48 GLU HG3 H 1 2.1 . . 1 . . . . . . . . 280 1 344 . 1 1 49 49 LEU H H 1 8.86 . . 1 . . . . . . . . 280 1 345 . 1 1 49 49 LEU HA H 1 4.76 . . 1 . . . . . . . . 280 1 346 . 1 1 49 49 LEU HB2 H 1 1.31 . . 2 . . . . . . . . 280 1 347 . 1 1 49 49 LEU HB3 H 1 1.4 . . 2 . . . . . . . . 280 1 348 . 1 1 49 49 LEU HG H 1 1.13 . . 1 . . . . . . . . 280 1 349 . 1 1 49 49 LEU HD11 H 1 .1 . . 2 . . . . . . . . 280 1 350 . 1 1 49 49 LEU HD12 H 1 .1 . . 2 . . . . . . . . 280 1 351 . 1 1 49 49 LEU HD13 H 1 .1 . . 2 . . . . . . . . 280 1 352 . 1 1 49 49 LEU HD21 H 1 .5 . . 2 . . . . . . . . 280 1 353 . 1 1 49 49 LEU HD22 H 1 .5 . . 2 . . . . . . . . 280 1 354 . 1 1 49 49 LEU HD23 H 1 .5 . . 2 . . . . . . . . 280 1 355 . 1 1 50 50 CYS H H 1 8.65 . . 1 . . . . . . . . 280 1 356 . 1 1 50 50 CYS HA H 1 5.9 . . 1 . . . . . . . . 280 1 357 . 1 1 50 50 CYS HB2 H 1 3.15 . . 2 . . . . . . . . 280 1 358 . 1 1 50 50 CYS HB3 H 1 4.07 . . 2 . . . . . . . . 280 1 359 . 1 1 51 51 LEU H H 1 8.29 . . 1 . . . . . . . . 280 1 360 . 1 1 51 51 LEU HA H 1 4.97 . . 1 . . . . . . . . 280 1 361 . 1 1 51 51 LEU HB2 H 1 1.27 . . 2 . . . . . . . . 280 1 362 . 1 1 51 51 LEU HB3 H 1 1.5 . . 2 . . . . . . . . 280 1 363 . 1 1 51 51 LEU HG H 1 1.02 . . 1 . . . . . . . . 280 1 364 . 1 1 51 51 LEU HD11 H 1 .8 . . 1 . . . . . . . . 280 1 365 . 1 1 51 51 LEU HD12 H 1 .8 . . 1 . . . . . . . . 280 1 366 . 1 1 51 51 LEU HD13 H 1 .8 . . 1 . . . . . . . . 280 1 367 . 1 1 51 51 LEU HD21 H 1 .8 . . 1 . . . . . . . . 280 1 368 . 1 1 51 51 LEU HD22 H 1 .8 . . 1 . . . . . . . . 280 1 369 . 1 1 51 51 LEU HD23 H 1 .8 . . 1 . . . . . . . . 280 1 370 . 1 1 52 52 ASP H H 1 9.17 . . 1 . . . . . . . . 280 1 371 . 1 1 52 52 ASP HA H 1 4.81 . . 1 . . . . . . . . 280 1 372 . 1 1 52 52 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 280 1 373 . 1 1 52 52 ASP HB3 H 1 2.97 . . 2 . . . . . . . . 280 1 374 . 1 1 53 53 PRO HA H 1 4.02 . . 1 . . . . . . . . 280 1 375 . 1 1 53 53 PRO HB2 H 1 3.25 . . 2 . . . . . . . . 280 1 376 . 1 1 53 53 PRO HB3 H 1 3.4 . . 2 . . . . . . . . 280 1 377 . 1 1 53 53 PRO HG2 H 1 1.84 . . 2 . . . . . . . . 280 1 378 . 1 1 53 53 PRO HG3 H 1 1.97 . . 2 . . . . . . . . 280 1 379 . 1 1 53 53 PRO HD2 H 1 4.15 . . 2 . . . . . . . . 280 1 380 . 1 1 53 53 PRO HD3 H 1 4.22 . . 2 . . . . . . . . 280 1 381 . 1 1 54 54 LYS H H 1 8.03 . . 1 . . . . . . . . 280 1 382 . 1 1 54 54 LYS HA H 1 4.03 . . 1 . . . . . . . . 280 1 383 . 1 1 54 54 LYS HB2 H 1 1.85 . . 1 . . . . . . . . 280 1 384 . 1 1 54 54 LYS HB3 H 1 1.85 . . 1 . . . . . . . . 280 1 385 . 1 1 54 54 LYS HG2 H 1 1.48 . . 1 . . . . . . . . 280 1 386 . 1 1 54 54 LYS HG3 H 1 1.48 . . 1 . . . . . . . . 280 1 387 . 1 1 54 54 LYS HD2 H 1 1.74 . . 1 . . . . . . . . 280 1 388 . 1 1 54 54 LYS HD3 H 1 1.74 . . 1 . . . . . . . . 280 1 389 . 1 1 54 54 LYS HE2 H 1 3.06 . . 1 . . . . . . . . 280 1 390 . 1 1 54 54 LYS HE3 H 1 3.06 . . 1 . . . . . . . . 280 1 391 . 1 1 55 55 GLU H H 1 7.39 . . 1 . . . . . . . . 280 1 392 . 1 1 55 55 GLU HA H 1 4.26 . . 1 . . . . . . . . 280 1 393 . 1 1 55 55 GLU HB2 H 1 1.64 . . 2 . . . . . . . . 280 1 394 . 1 1 55 55 GLU HB3 H 1 1.83 . . 2 . . . . . . . . 280 1 395 . 1 1 55 55 GLU HG2 H 1 2.22 . . 2 . . . . . . . . 280 1 396 . 1 1 55 55 GLU HG3 H 1 2.39 . . 2 . . . . . . . . 280 1 397 . 1 1 56 56 ASN H H 1 8.96 . . 1 . . . . . . . . 280 1 398 . 1 1 56 56 ASN HA H 1 4.12 . . 1 . . . . . . . . 280 1 399 . 1 1 56 56 ASN HB2 H 1 2.84 . . 2 . . . . . . . . 280 1 400 . 1 1 56 56 ASN HB3 H 1 2.99 . . 2 . . . . . . . . 280 1 401 . 1 1 56 56 ASN HD21 H 1 6.94 . . 2 . . . . . . . . 280 1 402 . 1 1 56 56 ASN HD22 H 1 7.67 . . 2 . . . . . . . . 280 1 403 . 1 1 57 57 TRP H H 1 9.14 . . 1 . . . . . . . . 280 1 404 . 1 1 57 57 TRP HA H 1 4.29 . . 1 . . . . . . . . 280 1 405 . 1 1 57 57 TRP HB2 H 1 3.27 . . 2 . . . . . . . . 280 1 406 . 1 1 57 57 TRP HB3 H 1 3.51 . . 2 . . . . . . . . 280 1 407 . 1 1 57 57 TRP HD1 H 1 7.61 . . 1 . . . . . . . . 280 1 408 . 1 1 57 57 TRP HE1 H 1 10.12 . . 1 . . . . . . . . 280 1 409 . 1 1 57 57 TRP HE3 H 1 7.3 . . 1 . . . . . . . . 280 1 410 . 1 1 57 57 TRP HZ2 H 1 7.28 . . 1 . . . . . . . . 280 1 411 . 1 1 57 57 TRP HZ3 H 1 6.21 . . 1 . . . . . . . . 280 1 412 . 1 1 57 57 TRP HH2 H 1 7 . . 1 . . . . . . . . 280 1 413 . 1 1 58 58 VAL H H 1 5.8 . . 1 . . . . . . . . 280 1 414 . 1 1 58 58 VAL HA H 1 2.7 . . 1 . . . . . . . . 280 1 415 . 1 1 58 58 VAL HB H 1 1.93 . . 1 . . . . . . . . 280 1 416 . 1 1 58 58 VAL HG11 H 1 .42 . . 2 . . . . . . . . 280 1 417 . 1 1 58 58 VAL HG12 H 1 .42 . . 2 . . . . . . . . 280 1 418 . 1 1 58 58 VAL HG13 H 1 .42 . . 2 . . . . . . . . 280 1 419 . 1 1 58 58 VAL HG21 H 1 .33 . . 2 . . . . . . . . 280 1 420 . 1 1 58 58 VAL HG22 H 1 .33 . . 2 . . . . . . . . 280 1 421 . 1 1 58 58 VAL HG23 H 1 .33 . . 2 . . . . . . . . 280 1 422 . 1 1 59 59 GLN H H 1 7.38 . . 1 . . . . . . . . 280 1 423 . 1 1 59 59 GLN HA H 1 3.6 . . 1 . . . . . . . . 280 1 424 . 1 1 59 59 GLN HB2 H 1 2.05 . . 2 . . . . . . . . 280 1 425 . 1 1 59 59 GLN HB3 H 1 4.04 . . 2 . . . . . . . . 280 1 426 . 1 1 59 59 GLN HG2 H 1 1.93 . . 2 . . . . . . . . 280 1 427 . 1 1 59 59 GLN HG3 H 1 2.57 . . 2 . . . . . . . . 280 1 428 . 1 1 59 59 GLN HE21 H 1 6.62 . . 2 . . . . . . . . 280 1 429 . 1 1 59 59 GLN HE22 H 1 7.93 . . 2 . . . . . . . . 280 1 430 . 1 1 60 60 ARG H H 1 7.93 . . 1 . . . . . . . . 280 1 431 . 1 1 60 60 ARG HA H 1 4.21 . . 1 . . . . . . . . 280 1 432 . 1 1 60 60 ARG HB2 H 1 1.92 . . 2 . . . . . . . . 280 1 433 . 1 1 60 60 ARG HB3 H 1 2.04 . . 2 . . . . . . . . 280 1 434 . 1 1 60 60 ARG HG2 H 1 1.79 . . 1 . . . . . . . . 280 1 435 . 1 1 60 60 ARG HG3 H 1 1.79 . . 1 . . . . . . . . 280 1 436 . 1 1 60 60 ARG HD2 H 1 3.26 . . 1 . . . . . . . . 280 1 437 . 1 1 60 60 ARG HD3 H 1 3.26 . . 1 . . . . . . . . 280 1 438 . 1 1 61 61 VAL H H 1 8.47 . . 1 . . . . . . . . 280 1 439 . 1 1 61 61 VAL HA H 1 3.91 . . 1 . . . . . . . . 280 1 440 . 1 1 61 61 VAL HB H 1 2.28 . . 1 . . . . . . . . 280 1 441 . 1 1 61 61 VAL HG11 H 1 1.13 . . 2 . . . . . . . . 280 1 442 . 1 1 61 61 VAL HG12 H 1 1.13 . . 2 . . . . . . . . 280 1 443 . 1 1 61 61 VAL HG13 H 1 1.13 . . 2 . . . . . . . . 280 1 444 . 1 1 61 61 VAL HG21 H 1 1.21 . . 2 . . . . . . . . 280 1 445 . 1 1 61 61 VAL HG22 H 1 1.21 . . 2 . . . . . . . . 280 1 446 . 1 1 61 61 VAL HG23 H 1 1.21 . . 2 . . . . . . . . 280 1 447 . 1 1 62 62 VAL H H 1 8.38 . . 1 . . . . . . . . 280 1 448 . 1 1 62 62 VAL HA H 1 3.62 . . 1 . . . . . . . . 280 1 449 . 1 1 62 62 VAL HB H 1 2.17 . . 1 . . . . . . . . 280 1 450 . 1 1 62 62 VAL HG11 H 1 .93 . . 1 . . . . . . . . 280 1 451 . 1 1 62 62 VAL HG12 H 1 .93 . . 1 . . . . . . . . 280 1 452 . 1 1 62 62 VAL HG13 H 1 .93 . . 1 . . . . . . . . 280 1 453 . 1 1 62 62 VAL HG21 H 1 .93 . . 1 . . . . . . . . 280 1 454 . 1 1 62 62 VAL HG22 H 1 .93 . . 1 . . . . . . . . 280 1 455 . 1 1 62 62 VAL HG23 H 1 .93 . . 1 . . . . . . . . 280 1 456 . 1 1 63 63 GLU H H 1 7.54 . . 1 . . . . . . . . 280 1 457 . 1 1 63 63 GLU HA H 1 3.93 . . 1 . . . . . . . . 280 1 458 . 1 1 63 63 GLU HB2 H 1 2.16 . . 2 . . . . . . . . 280 1 459 . 1 1 63 63 GLU HB3 H 1 2.24 . . 2 . . . . . . . . 280 1 460 . 1 1 63 63 GLU HG2 H 1 2.4 . . 1 . . . . . . . . 280 1 461 . 1 1 63 63 GLU HG3 H 1 2.4 . . 1 . . . . . . . . 280 1 462 . 1 1 64 64 LYS H H 1 8.13 . . 1 . . . . . . . . 280 1 463 . 1 1 64 64 LYS HA H 1 4.02 . . 1 . . . . . . . . 280 1 464 . 1 1 64 64 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 280 1 465 . 1 1 64 64 LYS HB3 H 1 2 . . 2 . . . . . . . . 280 1 466 . 1 1 64 64 LYS HG2 H 1 1.59 . . 2 . . . . . . . . 280 1 467 . 1 1 64 64 LYS HG3 H 1 2.06 . . 2 . . . . . . . . 280 1 468 . 1 1 64 64 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 280 1 469 . 1 1 64 64 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 280 1 470 . 1 1 64 64 LYS HE2 H 1 3 . . 1 . . . . . . . . 280 1 471 . 1 1 64 64 LYS HE3 H 1 3 . . 1 . . . . . . . . 280 1 472 . 1 1 65 65 PHE H H 1 8.5 . . 1 . . . . . . . . 280 1 473 . 1 1 65 65 PHE HA H 1 4.23 . . 1 . . . . . . . . 280 1 474 . 1 1 65 65 PHE HB2 H 1 3.21 . . 2 . . . . . . . . 280 1 475 . 1 1 65 65 PHE HB3 H 1 3.27 . . 2 . . . . . . . . 280 1 476 . 1 1 65 65 PHE HD1 H 1 7.14 . . 1 . . . . . . . . 280 1 477 . 1 1 65 65 PHE HD2 H 1 7.14 . . 1 . . . . . . . . 280 1 478 . 1 1 65 65 PHE HE1 H 1 7.2 . . 1 . . . . . . . . 280 1 479 . 1 1 65 65 PHE HE2 H 1 7.2 . . 1 . . . . . . . . 280 1 480 . 1 1 65 65 PHE HZ H 1 6.93 . . 1 . . . . . . . . 280 1 481 . 1 1 66 66 LEU H H 1 8.41 . . 1 . . . . . . . . 280 1 482 . 1 1 66 66 LEU HA H 1 3.43 . . 1 . . . . . . . . 280 1 483 . 1 1 66 66 LEU HB2 H 1 1.6 . . 2 . . . . . . . . 280 1 484 . 1 1 66 66 LEU HB3 H 1 1.68 . . 2 . . . . . . . . 280 1 485 . 1 1 66 66 LEU HG H 1 1.68 . . 1 . . . . . . . . 280 1 486 . 1 1 66 66 LEU HD11 H 1 .86 . . 1 . . . . . . . . 280 1 487 . 1 1 66 66 LEU HD12 H 1 .86 . . 1 . . . . . . . . 280 1 488 . 1 1 66 66 LEU HD13 H 1 .86 . . 1 . . . . . . . . 280 1 489 . 1 1 66 66 LEU HD21 H 1 .86 . . 1 . . . . . . . . 280 1 490 . 1 1 66 66 LEU HD22 H 1 .86 . . 1 . . . . . . . . 280 1 491 . 1 1 66 66 LEU HD23 H 1 .86 . . 1 . . . . . . . . 280 1 492 . 1 1 67 67 LYS H H 1 7.89 . . 1 . . . . . . . . 280 1 493 . 1 1 67 67 LYS HA H 1 3.89 . . 1 . . . . . . . . 280 1 494 . 1 1 67 67 LYS HB2 H 1 1.8 . . 2 . . . . . . . . 280 1 495 . 1 1 67 67 LYS HB3 H 1 1.85 . . 2 . . . . . . . . 280 1 496 . 1 1 67 67 LYS HG2 H 1 1.49 . . 2 . . . . . . . . 280 1 497 . 1 1 67 67 LYS HG3 H 1 1.53 . . 2 . . . . . . . . 280 1 498 . 1 1 67 67 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 280 1 499 . 1 1 67 67 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 280 1 500 . 1 1 67 67 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 280 1 501 . 1 1 67 67 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 280 1 502 . 1 1 68 68 ARG H H 1 7.49 . . 1 . . . . . . . . 280 1 503 . 1 1 68 68 ARG HA H 1 4.04 . . 1 . . . . . . . . 280 1 504 . 1 1 68 68 ARG HB2 H 1 1.83 . . 2 . . . . . . . . 280 1 505 . 1 1 68 68 ARG HB3 H 1 1.96 . . 2 . . . . . . . . 280 1 506 . 1 1 68 68 ARG HG2 H 1 1.41 . . 2 . . . . . . . . 280 1 507 . 1 1 68 68 ARG HG3 H 1 1.69 . . 2 . . . . . . . . 280 1 508 . 1 1 68 68 ARG HD2 H 1 3 . . 1 . . . . . . . . 280 1 509 . 1 1 68 68 ARG HD3 H 1 3 . . 1 . . . . . . . . 280 1 510 . 1 1 69 69 ALA H H 1 8.53 . . 1 . . . . . . . . 280 1 511 . 1 1 69 69 ALA HA H 1 3.98 . . 1 . . . . . . . . 280 1 512 . 1 1 69 69 ALA HB1 H 1 .81 . . 1 . . . . . . . . 280 1 513 . 1 1 69 69 ALA HB2 H 1 .81 . . 1 . . . . . . . . 280 1 514 . 1 1 69 69 ALA HB3 H 1 .81 . . 1 . . . . . . . . 280 1 515 . 1 1 70 70 GLU H H 1 8.12 . . 1 . . . . . . . . 280 1 516 . 1 1 70 70 GLU HA H 1 3.82 . . 1 . . . . . . . . 280 1 517 . 1 1 70 70 GLU HB2 H 1 2.04 . . 2 . . . . . . . . 280 1 518 . 1 1 70 70 GLU HB3 H 1 2.1 . . 2 . . . . . . . . 280 1 519 . 1 1 70 70 GLU HG2 H 1 2.57 . . 1 . . . . . . . . 280 1 520 . 1 1 70 70 GLU HG3 H 1 2.57 . . 1 . . . . . . . . 280 1 521 . 1 1 71 71 ASN H H 1 7.43 . . 1 . . . . . . . . 280 1 522 . 1 1 71 71 ASN HA H 1 4.75 . . 1 . . . . . . . . 280 1 523 . 1 1 71 71 ASN HB2 H 1 2.65 . . 2 . . . . . . . . 280 1 524 . 1 1 71 71 ASN HB3 H 1 2.99 . . 2 . . . . . . . . 280 1 525 . 1 1 71 71 ASN HD21 H 1 6.94 . . 2 . . . . . . . . 280 1 526 . 1 1 71 71 ASN HD22 H 1 7.66 . . 2 . . . . . . . . 280 1 527 . 1 1 72 72 SER H H 1 7.67 . . 1 . . . . . . . . 280 1 528 . 1 1 72 72 SER HA H 1 4.14 . . 1 . . . . . . . . 280 1 529 . 1 1 72 72 SER HB2 H 1 3.9 . . 1 . . . . . . . . 280 1 530 . 1 1 72 72 SER HB3 H 1 3.9 . . 1 . . . . . . . . 280 1 stop_ save_