data_5692 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5692 _Entry.Title ; Structural and functional insights into PINCH LIM4 domain-mediated integrin signaling ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-12 _Entry.Accession_date 2003-02-13 _Entry.Last_release_date 2003-08-08 _Entry.Original_release_date 2003-08-08 _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 Algirdas Velyvis . . . 5692 2 Julie Vaynberg . . . 5692 3 Olga Vinogradova . . . 5692 4 Yongjun Zhang . . . 5692 5 Chuanyue Wu . . . 5692 6 Jun Qin . . . 5692 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5692 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 227 5692 '15N chemical shifts' 71 5692 '1H chemical shifts' 446 5692 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-08-08 2003-02-12 original author . 5692 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5692 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22708834 _Citation.DOI . _Citation.PubMed_ID 12794636 _Citation.Full_citation . _Citation.Title ; Structural and Functional Insights into PINCH LIM4 Domain-mediated Integrin Signaling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 7 _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 558 _Citation.Page_last 564 _Citation.Year 2003 _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 Algirdas Velyvis . . . 5692 1 2 Julie Vaynberg . . . 5692 1 3 Yanwu Yang . . . 5692 1 4 Olga Vinogradova . . . 5692 1 5 Yongjun Zhang . . . 5692 1 6 Chuanyue Wu . . . 5692 1 7 Jun Qin . . . 5692 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_LIM4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_LIM4 _Assembly.Entry_ID 5692 _Assembly.ID 1 _Assembly.Name '4th LIM domain of PINCH protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _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 5692 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 LIM4 1 $LIM4 . . . native . . . . . 5692 1 2 'Zinc ion (II)' 2 $ZN . . . native . . . . . 5692 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 . PDB 1NYP . . . . . . 5692 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '4th LIM domain of PINCH protein' system 5692 1 LIM4 abbreviation 5692 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'protein recognition domain from an adaptor protein' 5692 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LIM4 _Entity.Sf_category entity _Entity.Sf_framecode LIM4 _Entity.Entry_ID 5692 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '4th LIM domain of PINCH protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMGVPICGACRRPIEGRVV NAMGKQWHVEHFVCAKCEKP FLGHRHYERKGLAYCETHYN QLFGDV ; _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 'all other bound' _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1NYP . "4th Lim Domain Of Pinch Protein" . . . . . 100.00 66 100.00 100.00 4.05e-41 . . . . 5692 1 2 no PDB 1U5S . "Nmr Structure Of The Complex Between Nck-2 Sh3 Domain And Pinch-1 Lim4 Domain" . . . . . 100.00 66 100.00 100.00 4.05e-41 . . . . 5692 1 3 no GB AGW21640 . "NLS-YFP-Lim4-CFP [Yeast integrative vector pYFP-Lim4-CFP]" . . . . . 100.00 575 96.97 96.97 7.76e-41 . . . . 5692 1 4 no GB EFB20618 . "hypothetical protein PANDA_020828 [Ailuropoda melanoleuca]" . . . . . 98.48 276 98.46 98.46 1.12e-37 . . . . 5692 1 5 no GB ELW62207 . "LIM and senescent cell antigen-like-containing domain protein 2 [Tupaia chinensis]" . . . . . 54.55 263 97.22 100.00 5.98e-16 . . . . 5692 1 6 no GB KFP50847 . "LIM and senescent cell antigen-like-containing domain protein 1, partial [Cathartes aura]" . . . . . 98.48 274 98.46 98.46 1.05e-37 . . . . 5692 1 7 no GB KFP56517 . "LIM and senescent cell antigen-like-containing domain protein 1, partial [Cariama cristata]" . . . . . 98.48 274 98.46 98.46 1.05e-37 . . . . 5692 1 8 no REF XP_002832613 . "PREDICTED: LIM and senescent cell antigen-like-containing domain protein 1 isoform X1 [Pongo abelii]" . . . . . 100.00 272 96.97 96.97 8.20e-38 . . . . 5692 1 9 no REF XP_002930391 . "PREDICTED: LIM and senescent cell antigen-like-containing domain protein 1-like, partial [Ailuropoda melanoleuca]" . . . . . 100.00 302 96.97 96.97 1.15e-37 . . . . 5692 1 10 no REF XP_004005972 . "PREDICTED: LOW QUALITY PROTEIN: LIM and senescent cell antigen-like-containing domain protein 1 [Ovis aries]" . . . . . 98.48 388 98.46 98.46 6.72e-37 . . . . 5692 1 11 no REF XP_004938580 . "PREDICTED: LIM and senescent cell antigen-like-containing domain protein 1-like [Gallus gallus]" . . . . . 92.42 101 98.36 98.36 3.26e-36 . . . . 5692 1 12 no REF XP_005953270 . "PREDICTED: LIM and senescent cell antigen-like-containing domain protein 1-like, partial [Haplochromis burtoni]" . . . . . 100.00 257 96.97 96.97 7.08e-38 . . . . 5692 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '4th LIM domain of PINCH protein' common 5692 1 LIM4 abbreviation 5692 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 . GLY . 5692 1 2 . SER . 5692 1 3 . MET . 5692 1 4 . GLY . 5692 1 5 . VAL . 5692 1 6 . PRO . 5692 1 7 . ILE . 5692 1 8 . CYS . 5692 1 9 . GLY . 5692 1 10 . ALA . 5692 1 11 . CYS . 5692 1 12 . ARG . 5692 1 13 . ARG . 5692 1 14 . PRO . 5692 1 15 . ILE . 5692 1 16 . GLU . 5692 1 17 . GLY . 5692 1 18 . ARG . 5692 1 19 . VAL . 5692 1 20 . VAL . 5692 1 21 . ASN . 5692 1 22 . ALA . 5692 1 23 . MET . 5692 1 24 . GLY . 5692 1 25 . LYS . 5692 1 26 . GLN . 5692 1 27 . TRP . 5692 1 28 . HIS . 5692 1 29 . VAL . 5692 1 30 . GLU . 5692 1 31 . HIS . 5692 1 32 . PHE . 5692 1 33 . VAL . 5692 1 34 . CYS . 5692 1 35 . ALA . 5692 1 36 . LYS . 5692 1 37 . CYS . 5692 1 38 . GLU . 5692 1 39 . LYS . 5692 1 40 . PRO . 5692 1 41 . PHE . 5692 1 42 . LEU . 5692 1 43 . GLY . 5692 1 44 . HIS . 5692 1 45 . ARG . 5692 1 46 . HIS . 5692 1 47 . TYR . 5692 1 48 . GLU . 5692 1 49 . ARG . 5692 1 50 . LYS . 5692 1 51 . GLY . 5692 1 52 . LEU . 5692 1 53 . ALA . 5692 1 54 . TYR . 5692 1 55 . CYS . 5692 1 56 . GLU . 5692 1 57 . THR . 5692 1 58 . HIS . 5692 1 59 . TYR . 5692 1 60 . ASN . 5692 1 61 . GLN . 5692 1 62 . LEU . 5692 1 63 . PHE . 5692 1 64 . GLY . 5692 1 65 . ASP . 5692 1 66 . VAL . 5692 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 . GLY 1 1 5692 1 . SER 2 2 5692 1 . MET 3 3 5692 1 . GLY 4 4 5692 1 . VAL 5 5 5692 1 . PRO 6 6 5692 1 . ILE 7 7 5692 1 . CYS 8 8 5692 1 . GLY 9 9 5692 1 . ALA 10 10 5692 1 . CYS 11 11 5692 1 . ARG 12 12 5692 1 . ARG 13 13 5692 1 . PRO 14 14 5692 1 . ILE 15 15 5692 1 . GLU 16 16 5692 1 . GLY 17 17 5692 1 . ARG 18 18 5692 1 . VAL 19 19 5692 1 . VAL 20 20 5692 1 . ASN 21 21 5692 1 . ALA 22 22 5692 1 . MET 23 23 5692 1 . GLY 24 24 5692 1 . LYS 25 25 5692 1 . GLN 26 26 5692 1 . TRP 27 27 5692 1 . HIS 28 28 5692 1 . VAL 29 29 5692 1 . GLU 30 30 5692 1 . HIS 31 31 5692 1 . PHE 32 32 5692 1 . VAL 33 33 5692 1 . CYS 34 34 5692 1 . ALA 35 35 5692 1 . LYS 36 36 5692 1 . CYS 37 37 5692 1 . GLU 38 38 5692 1 . LYS 39 39 5692 1 . PRO 40 40 5692 1 . PHE 41 41 5692 1 . LEU 42 42 5692 1 . GLY 43 43 5692 1 . HIS 44 44 5692 1 . ARG 45 45 5692 1 . HIS 46 46 5692 1 . TYR 47 47 5692 1 . GLU 48 48 5692 1 . ARG 49 49 5692 1 . LYS 50 50 5692 1 . GLY 51 51 5692 1 . LEU 52 52 5692 1 . ALA 53 53 5692 1 . TYR 54 54 5692 1 . CYS 55 55 5692 1 . GLU 56 56 5692 1 . THR 57 57 5692 1 . HIS 58 58 5692 1 . TYR 59 59 5692 1 . ASN 60 60 5692 1 . GLN 61 61 5692 1 . LEU 62 62 5692 1 . PHE 63 63 5692 1 . GLY 64 64 5692 1 . ASP 65 65 5692 1 . VAL 66 66 5692 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 5692 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . ZN . 5692 2 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 5692 _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 $LIM4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5692 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 5692 _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 $LIM4 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5692 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 5692 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 5692 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 5692 ZN [Zn++] SMILES CACTVS 3.341 5692 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 5692 ZN [Zn+2] SMILES ACDLabs 10.04 5692 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 5692 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5692 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 5692 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5692 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5692 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_the_sample _Sample.Sf_category sample _Sample.Sf_framecode the_sample _Sample.Entry_ID 5692 _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 '4th LIM domain of PINCH protein' '[U-95% 13C; U-95% 15N]' . . 1 $LIM4 . . 1.7 . . mM . . . . 5692 1 2 NaCl . . . . . . . 50 . . mM . . . . 5692 1 3 Na2HPO4 . . . . . . . 25 . . mM . . . . 5692 1 stop_ save_ ####################### # Sample conditions # ####################### save_the_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode the_conditions _Sample_condition_list.Entry_ID 5692 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 125 0.03 mM 5692 1 pH 6.5 0.2 pH 5692 1 temperature 298 1 K 5692 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5692 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5692 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5692 _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 Varian INOVA . 500 . . . 5692 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 5692 _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-15N HSQC' . . . . . . . . . . . 1 $the_sample . . . 1 $the_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5692 1 2 HNCACB . . . . . . . . . . . 1 $the_sample . . . 1 $the_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5692 1 3 HNCO . . . . . . . . . . . 1 $the_sample . . . 1 $the_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5692 1 4 N,C-edited-NOESY . . . . . . . . . . . 1 $the_sample . . . 1 $the_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5692 1 5 HNHA . . . . . . . . . . . 1 $the_sample . . . 1 $the_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5692 1 6 HCCH-TOCSY . . . . . . . . . . . 1 $the_sample . . . 1 $the_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5692 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 5692 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRPipe _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 5692 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRPipe _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 5692 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5692 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name N,C-edited-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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5692 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNHA _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRPipe _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5692 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRPipe _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 5692 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5692 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5692 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5692 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 5692 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $the_conditions _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 $the_sample . 5692 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER CA C 13 58.19 0.2 . 1 . . . . . . . . 5692 1 2 . 1 1 2 2 SER CB C 13 63.70 0.2 . 1 . . . . . . . . 5692 1 3 . 1 1 3 3 MET H H 1 8.58 0.02 . 1 . . . . . . . . 5692 1 4 . 1 1 3 3 MET HA H 1 4.53 0.02 . 1 . . . . . . . . 5692 1 5 . 1 1 3 3 MET HB2 H 1 2.11 0.02 . 2 . . . . . . . . 5692 1 6 . 1 1 3 3 MET HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5692 1 7 . 1 1 3 3 MET HG2 H 1 2.61 0.02 . 2 . . . . . . . . 5692 1 8 . 1 1 3 3 MET HG3 H 1 2.55 0.02 . 2 . . . . . . . . 5692 1 9 . 1 1 3 3 MET CA C 13 55.44 0.2 . 1 . . . . . . . . 5692 1 10 . 1 1 3 3 MET CB C 13 32.77 0.2 . 1 . . . . . . . . 5692 1 11 . 1 1 3 3 MET CG C 13 31.82 0.2 . 1 . . . . . . . . 5692 1 12 . 1 1 3 3 MET N N 15 124.88 0.2 . 1 . . . . . . . . 5692 1 13 . 1 1 4 4 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 5692 1 14 . 1 1 4 4 GLY HA2 H 1 3.92 0.02 . 1 . . . . . . . . 5692 1 15 . 1 1 4 4 GLY HA3 H 1 3.92 0.02 . 1 . . . . . . . . 5692 1 16 . 1 1 4 4 GLY CA C 13 44.99 0.2 . 1 . . . . . . . . 5692 1 17 . 1 1 4 4 GLY N N 15 112.79 0.2 . 1 . . . . . . . . 5692 1 18 . 1 1 5 5 VAL H H 1 7.82 0.02 . 1 . . . . . . . . 5692 1 19 . 1 1 5 5 VAL HA H 1 4.40 0.02 . 1 . . . . . . . . 5692 1 20 . 1 1 5 5 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 5692 1 21 . 1 1 5 5 VAL HG21 H 1 0.89 0.02 . 1 . . . . . . . . 5692 1 22 . 1 1 5 5 VAL HG22 H 1 0.89 0.02 . 1 . . . . . . . . 5692 1 23 . 1 1 5 5 VAL HG23 H 1 0.89 0.02 . 1 . . . . . . . . 5692 1 24 . 1 1 5 5 VAL HG11 H 1 0.94 0.02 . 1 . . . . . . . . 5692 1 25 . 1 1 5 5 VAL HG12 H 1 0.94 0.02 . 1 . . . . . . . . 5692 1 26 . 1 1 5 5 VAL HG13 H 1 0.94 0.02 . 1 . . . . . . . . 5692 1 27 . 1 1 5 5 VAL CA C 13 59.53 0.2 . 1 . . . . . . . . 5692 1 28 . 1 1 5 5 VAL CB C 13 32.55 0.2 . 1 . . . . . . . . 5692 1 29 . 1 1 5 5 VAL CG2 C 13 20.32 0.2 . 1 . . . . . . . . 5692 1 30 . 1 1 5 5 VAL CG1 C 13 21.15 0.2 . 1 . . . . . . . . 5692 1 31 . 1 1 5 5 VAL N N 15 123.21 0.2 . 1 . . . . . . . . 5692 1 32 . 1 1 6 6 PRO HA H 1 4.35 0.02 . 1 . . . . . . . . 5692 1 33 . 1 1 6 6 PRO HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5692 1 34 . 1 1 6 6 PRO HB3 H 1 1.57 0.02 . 2 . . . . . . . . 5692 1 35 . 1 1 6 6 PRO HG2 H 1 2.09 0.02 . 2 . . . . . . . . 5692 1 36 . 1 1 6 6 PRO HG3 H 1 1.94 0.02 . 2 . . . . . . . . 5692 1 37 . 1 1 6 6 PRO HD2 H 1 3.83 0.02 . 2 . . . . . . . . 5692 1 38 . 1 1 6 6 PRO HD3 H 1 3.73 0.02 . 2 . . . . . . . . 5692 1 39 . 1 1 6 6 PRO CA C 13 62.40 0.2 . 1 . . . . . . . . 5692 1 40 . 1 1 6 6 PRO CB C 13 32.28 0.2 . 1 . . . . . . . . 5692 1 41 . 1 1 6 6 PRO CG C 13 27.52 0.2 . 1 . . . . . . . . 5692 1 42 . 1 1 6 6 PRO CD C 13 50.80 0.2 . 1 . . . . . . . . 5692 1 43 . 1 1 7 7 ILE H H 1 8.03 0.02 . 1 . . . . . . . . 5692 1 44 . 1 1 7 7 ILE HA H 1 4.10 0.02 . 1 . . . . . . . . 5692 1 45 . 1 1 7 7 ILE HB H 1 1.57 0.02 . 1 . . . . . . . . 5692 1 46 . 1 1 7 7 ILE HG12 H 1 1.28 0.02 . 2 . . . . . . . . 5692 1 47 . 1 1 7 7 ILE HG13 H 1 1.19 0.02 . 2 . . . . . . . . 5692 1 48 . 1 1 7 7 ILE HG21 H 1 0.53 0.02 . 1 . . . . . . . . 5692 1 49 . 1 1 7 7 ILE HG22 H 1 0.53 0.02 . 1 . . . . . . . . 5692 1 50 . 1 1 7 7 ILE HG23 H 1 0.53 0.02 . 1 . . . . . . . . 5692 1 51 . 1 1 7 7 ILE HD11 H 1 0.58 0.02 . 1 . . . . . . . . 5692 1 52 . 1 1 7 7 ILE HD12 H 1 0.58 0.02 . 1 . . . . . . . . 5692 1 53 . 1 1 7 7 ILE HD13 H 1 0.58 0.02 . 1 . . . . . . . . 5692 1 54 . 1 1 7 7 ILE CA C 13 57.73 0.2 . 1 . . . . . . . . 5692 1 55 . 1 1 7 7 ILE CB C 13 38.92 0.2 . 1 . . . . . . . . 5692 1 56 . 1 1 7 7 ILE CG1 C 13 26.26 0.2 . 1 . . . . . . . . 5692 1 57 . 1 1 7 7 ILE CG2 C 13 17.06 0.2 . 1 . . . . . . . . 5692 1 58 . 1 1 7 7 ILE CD1 C 13 11.02 0.2 . 1 . . . . . . . . 5692 1 59 . 1 1 7 7 ILE N N 15 123.75 0.2 . 1 . . . . . . . . 5692 1 60 . 1 1 8 8 CYS H H 1 7.91 0.02 . 1 . . . . . . . . 5692 1 61 . 1 1 8 8 CYS HA H 1 4.35 0.02 . 1 . . . . . . . . 5692 1 62 . 1 1 8 8 CYS HB2 H 1 2.55 0.02 . 2 . . . . . . . . 5692 1 63 . 1 1 8 8 CYS HB3 H 1 3.70 0.02 . 2 . . . . . . . . 5692 1 64 . 1 1 8 8 CYS CA C 13 58.35 0.2 . 1 . . . . . . . . 5692 1 65 . 1 1 8 8 CYS CB C 13 32.13 0.2 . 1 . . . . . . . . 5692 1 66 . 1 1 8 8 CYS N N 15 128.66 0.2 . 1 . . . . . . . . 5692 1 67 . 1 1 9 9 GLY H H 1 9.03 0.02 . 1 . . . . . . . . 5692 1 68 . 1 1 9 9 GLY HA2 H 1 2.35 0.02 . 2 . . . . . . . . 5692 1 69 . 1 1 9 9 GLY HA3 H 1 3.66 0.02 . 2 . . . . . . . . 5692 1 70 . 1 1 9 9 GLY CA C 13 46.40 0.2 . 1 . . . . . . . . 5692 1 71 . 1 1 9 9 GLY N N 15 118.40 0.2 . 1 . . . . . . . . 5692 1 72 . 1 1 10 10 ALA H H 1 8.97 0.02 . 1 . . . . . . . . 5692 1 73 . 1 1 10 10 ALA HA H 1 4.90 0.02 . 1 . . . . . . . . 5692 1 74 . 1 1 10 10 ALA HB1 H 1 1.95 0.02 . 1 . . . . . . . . 5692 1 75 . 1 1 10 10 ALA HB2 H 1 1.95 0.02 . 1 . . . . . . . . 5692 1 76 . 1 1 10 10 ALA HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5692 1 77 . 1 1 10 10 ALA CA C 13 53.46 0.2 . 1 . . . . . . . . 5692 1 78 . 1 1 10 10 ALA CB C 13 21.58 0.2 . 1 . . . . . . . . 5692 1 79 . 1 1 10 10 ALA N N 15 126.92 0.2 . 1 . . . . . . . . 5692 1 80 . 1 1 11 11 CYS H H 1 7.84 0.02 . 1 . . . . . . . . 5692 1 81 . 1 1 11 11 CYS HA H 1 4.75 0.02 . 1 . . . . . . . . 5692 1 82 . 1 1 11 11 CYS HB2 H 1 3.31 0.02 . 2 . . . . . . . . 5692 1 83 . 1 1 11 11 CYS HB3 H 1 2.65 0.02 . 2 . . . . . . . . 5692 1 84 . 1 1 11 11 CYS CA C 13 58.59 0.2 . 1 . . . . . . . . 5692 1 85 . 1 1 11 11 CYS CB C 13 30.35 0.2 . 1 . . . . . . . . 5692 1 86 . 1 1 11 11 CYS N N 15 117.38 0.2 . 1 . . . . . . . . 5692 1 87 . 1 1 12 12 ARG H H 1 7.93 0.02 . 1 . . . . . . . . 5692 1 88 . 1 1 12 12 ARG HA H 1 3.97 0.02 . 1 . . . . . . . . 5692 1 89 . 1 1 12 12 ARG HB2 H 1 2.12 0.02 . 2 . . . . . . . . 5692 1 90 . 1 1 12 12 ARG HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5692 1 91 . 1 1 12 12 ARG HG2 H 1 1.50 0.02 . 1 . . . . . . . . 5692 1 92 . 1 1 12 12 ARG HG3 H 1 1.50 0.02 . 1 . . . . . . . . 5692 1 93 . 1 1 12 12 ARG HD2 H 1 3.16 0.02 . 1 . . . . . . . . 5692 1 94 . 1 1 12 12 ARG HD3 H 1 3.16 0.02 . 1 . . . . . . . . 5692 1 95 . 1 1 12 12 ARG HE H 1 7.10 0.02 . 1 . . . . . . . . 5692 1 96 . 1 1 12 12 ARG CA C 13 57.20 0.2 . 1 . . . . . . . . 5692 1 97 . 1 1 12 12 ARG CB C 13 26.49 0.2 . 1 . . . . . . . . 5692 1 98 . 1 1 12 12 ARG CG C 13 27.23 0.2 . 1 . . . . . . . . 5692 1 99 . 1 1 12 12 ARG CD C 13 42.80 0.2 . 1 . . . . . . . . 5692 1 100 . 1 1 12 12 ARG N N 15 118.10 0.2 . 1 . . . . . . . . 5692 1 101 . 1 1 12 12 ARG NE N 15 86.49 0.2 . 1 . . . . . . . . 5692 1 102 . 1 1 13 13 ARG H H 1 8.16 0.02 . 1 . . . . . . . . 5692 1 103 . 1 1 13 13 ARG HA H 1 5.00 0.02 . 1 . . . . . . . . 5692 1 104 . 1 1 13 13 ARG HB2 H 1 2.21 0.02 . 2 . . . . . . . . 5692 1 105 . 1 1 13 13 ARG HB3 H 1 2.09 0.02 . 2 . . . . . . . . 5692 1 106 . 1 1 13 13 ARG HG2 H 1 1.92 0.02 . 2 . . . . . . . . 5692 1 107 . 1 1 13 13 ARG HG3 H 1 1.76 0.02 . 2 . . . . . . . . 5692 1 108 . 1 1 13 13 ARG HD2 H 1 3.34 0.02 . 1 . . . . . . . . 5692 1 109 . 1 1 13 13 ARG HD3 H 1 3.34 0.02 . 1 . . . . . . . . 5692 1 110 . 1 1 13 13 ARG HE H 1 7.30 0.02 . 1 . . . . . . . . 5692 1 111 . 1 1 13 13 ARG CA C 13 53.30 0.2 . 1 . . . . . . . . 5692 1 112 . 1 1 13 13 ARG CB C 13 30.71 0.2 . 1 . . . . . . . . 5692 1 113 . 1 1 13 13 ARG CG C 13 27.17 0.2 . 1 . . . . . . . . 5692 1 114 . 1 1 13 13 ARG CD C 13 43.09 0.2 . 1 . . . . . . . . 5692 1 115 . 1 1 13 13 ARG N N 15 121.52 0.2 . 1 . . . . . . . . 5692 1 116 . 1 1 13 13 ARG NE N 15 87.12 0.2 . 1 . . . . . . . . 5692 1 117 . 1 1 14 14 PRO HA H 1 4.71 0.02 . 1 . . . . . . . . 5692 1 118 . 1 1 14 14 PRO HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5692 1 119 . 1 1 14 14 PRO HB3 H 1 1.78 0.02 . 2 . . . . . . . . 5692 1 120 . 1 1 14 14 PRO HG2 H 1 2.11 0.02 . 2 . . . . . . . . 5692 1 121 . 1 1 14 14 PRO HG3 H 1 1.84 0.02 . 2 . . . . . . . . 5692 1 122 . 1 1 14 14 PRO HD2 H 1 3.87 0.02 . 2 . . . . . . . . 5692 1 123 . 1 1 14 14 PRO HD3 H 1 3.67 0.02 . 2 . . . . . . . . 5692 1 124 . 1 1 14 14 PRO CA C 13 62.45 0.2 . 1 . . . . . . . . 5692 1 125 . 1 1 14 14 PRO CB C 13 32.70 0.2 . 1 . . . . . . . . 5692 1 126 . 1 1 14 14 PRO CG C 13 27.82 0.2 . 1 . . . . . . . . 5692 1 127 . 1 1 14 14 PRO CD C 13 50.89 0.2 . 1 . . . . . . . . 5692 1 128 . 1 1 15 15 ILE H H 1 8.18 0.02 . 1 . . . . . . . . 5692 1 129 . 1 1 15 15 ILE HA H 1 3.85 0.02 . 1 . . . . . . . . 5692 1 130 . 1 1 15 15 ILE HB H 1 1.27 0.02 . 1 . . . . . . . . 5692 1 131 . 1 1 15 15 ILE HG12 H 1 1.18 0.02 . 1 . . . . . . . . 5692 1 132 . 1 1 15 15 ILE HG13 H 1 -0.65 0.02 . 1 . . . . . . . . 5692 1 133 . 1 1 15 15 ILE HG21 H 1 0.57 0.02 . 1 . . . . . . . . 5692 1 134 . 1 1 15 15 ILE HG22 H 1 0.57 0.02 . 1 . . . . . . . . 5692 1 135 . 1 1 15 15 ILE HG23 H 1 0.57 0.02 . 1 . . . . . . . . 5692 1 136 . 1 1 15 15 ILE HD11 H 1 0.28 0.02 . 1 . . . . . . . . 5692 1 137 . 1 1 15 15 ILE HD12 H 1 0.28 0.02 . 1 . . . . . . . . 5692 1 138 . 1 1 15 15 ILE HD13 H 1 0.28 0.02 . 1 . . . . . . . . 5692 1 139 . 1 1 15 15 ILE CA C 13 60.53 0.2 . 1 . . . . . . . . 5692 1 140 . 1 1 15 15 ILE CB C 13 38.75 0.2 . 1 . . . . . . . . 5692 1 141 . 1 1 15 15 ILE CG1 C 13 26.25 0.2 . 1 . . . . . . . . 5692 1 142 . 1 1 15 15 ILE CG2 C 13 19.30 0.2 . 1 . . . . . . . . 5692 1 143 . 1 1 15 15 ILE CD1 C 13 15.76 0.2 . 1 . . . . . . . . 5692 1 144 . 1 1 15 15 ILE N N 15 125.69 0.2 . 1 . . . . . . . . 5692 1 145 . 1 1 16 16 GLU H H 1 8.96 0.02 . 1 . . . . . . . . 5692 1 146 . 1 1 16 16 GLU HA H 1 4.39 0.02 . 1 . . . . . . . . 5692 1 147 . 1 1 16 16 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 5692 1 148 . 1 1 16 16 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5692 1 149 . 1 1 16 16 GLU HG2 H 1 2.23 0.02 . 1 . . . . . . . . 5692 1 150 . 1 1 16 16 GLU HG3 H 1 2.23 0.02 . 1 . . . . . . . . 5692 1 151 . 1 1 16 16 GLU CA C 13 56.06 0.2 . 1 . . . . . . . . 5692 1 152 . 1 1 16 16 GLU CB C 13 30.28 0.2 . 1 . . . . . . . . 5692 1 153 . 1 1 16 16 GLU CG C 13 36.02 0.2 . 1 . . . . . . . . 5692 1 154 . 1 1 16 16 GLU N N 15 129.97 0.2 . 1 . . . . . . . . 5692 1 155 . 1 1 17 17 GLY H H 1 7.94 0.02 . 1 . . . . . . . . 5692 1 156 . 1 1 17 17 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 5692 1 157 . 1 1 17 17 GLY HA3 H 1 4.12 0.02 . 2 . . . . . . . . 5692 1 158 . 1 1 17 17 GLY CA C 13 44.44 0.2 . 1 . . . . . . . . 5692 1 159 . 1 1 17 17 GLY N N 15 113.17 0.2 . 1 . . . . . . . . 5692 1 160 . 1 1 18 18 ARG H H 1 8.44 0.02 . 1 . . . . . . . . 5692 1 161 . 1 1 18 18 ARG HA H 1 4.10 0.02 . 1 . . . . . . . . 5692 1 162 . 1 1 18 18 ARG HB2 H 1 1.78 0.02 . 1 . . . . . . . . 5692 1 163 . 1 1 18 18 ARG HB3 H 1 1.78 0.02 . 1 . . . . . . . . 5692 1 164 . 1 1 18 18 ARG HG2 H 1 1.68 0.02 . 2 . . . . . . . . 5692 1 165 . 1 1 18 18 ARG HG3 H 1 1.53 0.02 . 2 . . . . . . . . 5692 1 166 . 1 1 18 18 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 5692 1 167 . 1 1 18 18 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 5692 1 168 . 1 1 18 18 ARG HE H 1 7.26 0.02 . 1 . . . . . . . . 5692 1 169 . 1 1 18 18 ARG CA C 13 57.17 0.2 . 1 . . . . . . . . 5692 1 170 . 1 1 18 18 ARG CB C 13 30.34 0.2 . 1 . . . . . . . . 5692 1 171 . 1 1 18 18 ARG CG C 13 27.29 0.2 . 1 . . . . . . . . 5692 1 172 . 1 1 18 18 ARG CD C 13 43.50 0.2 . 1 . . . . . . . . 5692 1 173 . 1 1 18 18 ARG N N 15 127.32 0.2 . 1 . . . . . . . . 5692 1 174 . 1 1 18 18 ARG NE N 15 86.58 0.2 . 1 . . . . . . . . 5692 1 175 . 1 1 19 19 VAL H H 1 8.28 0.02 . 1 . . . . . . . . 5692 1 176 . 1 1 19 19 VAL HA H 1 4.19 0.02 . 1 . . . . . . . . 5692 1 177 . 1 1 19 19 VAL HB H 1 1.93 0.02 . 1 . . . . . . . . 5692 1 178 . 1 1 19 19 VAL HG11 H 1 0.78 0.02 . 1 . . . . . . . . 5692 1 179 . 1 1 19 19 VAL HG12 H 1 0.78 0.02 . 1 . . . . . . . . 5692 1 180 . 1 1 19 19 VAL HG13 H 1 0.78 0.02 . 1 . . . . . . . . 5692 1 181 . 1 1 19 19 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5692 1 182 . 1 1 19 19 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5692 1 183 . 1 1 19 19 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5692 1 184 . 1 1 19 19 VAL CA C 13 61.05 0.2 . 1 . . . . . . . . 5692 1 185 . 1 1 19 19 VAL CB C 13 34.49 0.2 . 1 . . . . . . . . 5692 1 186 . 1 1 19 19 VAL CG1 C 13 21.62 0.2 . 1 . . . . . . . . 5692 1 187 . 1 1 19 19 VAL CG2 C 13 22.09 0.2 . 1 . . . . . . . . 5692 1 188 . 1 1 19 19 VAL N N 15 126.38 0.2 . 1 . . . . . . . . 5692 1 189 . 1 1 20 20 VAL H H 1 8.57 0.02 . 1 . . . . . . . . 5692 1 190 . 1 1 20 20 VAL HA H 1 4.23 0.02 . 1 . . . . . . . . 5692 1 191 . 1 1 20 20 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 5692 1 192 . 1 1 20 20 VAL HG11 H 1 0.66 0.02 . 1 . . . . . . . . 5692 1 193 . 1 1 20 20 VAL HG12 H 1 0.66 0.02 . 1 . . . . . . . . 5692 1 194 . 1 1 20 20 VAL HG13 H 1 0.66 0.02 . 1 . . . . . . . . 5692 1 195 . 1 1 20 20 VAL HG21 H 1 1.04 0.02 . 1 . . . . . . . . 5692 1 196 . 1 1 20 20 VAL HG22 H 1 1.04 0.02 . 1 . . . . . . . . 5692 1 197 . 1 1 20 20 VAL HG23 H 1 1.04 0.02 . 1 . . . . . . . . 5692 1 198 . 1 1 20 20 VAL CA C 13 61.50 0.2 . 1 . . . . . . . . 5692 1 199 . 1 1 20 20 VAL CB C 13 33.48 0.2 . 1 . . . . . . . . 5692 1 200 . 1 1 20 20 VAL CG1 C 13 20.96 0.2 . 1 . . . . . . . . 5692 1 201 . 1 1 20 20 VAL CG2 C 13 22.39 0.2 . 1 . . . . . . . . 5692 1 202 . 1 1 20 20 VAL N N 15 128.94 0.2 . 1 . . . . . . . . 5692 1 203 . 1 1 21 21 ASN H H 1 8.84 0.02 . 1 . . . . . . . . 5692 1 204 . 1 1 21 21 ASN HA H 1 5.42 0.02 . 1 . . . . . . . . 5692 1 205 . 1 1 21 21 ASN HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5692 1 206 . 1 1 21 21 ASN HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5692 1 207 . 1 1 21 21 ASN HD22 H 1 6.84 0.02 . 1 . . . . . . . . 5692 1 208 . 1 1 21 21 ASN HD21 H 1 7.46 0.02 . 1 . . . . . . . . 5692 1 209 . 1 1 21 21 ASN CA C 13 52.27 0.2 . 1 . . . . . . . . 5692 1 210 . 1 1 21 21 ASN CB C 13 39.98 0.2 . 1 . . . . . . . . 5692 1 211 . 1 1 21 21 ASN N N 15 130.04 0.2 . 1 . . . . . . . . 5692 1 212 . 1 1 21 21 ASN ND2 N 15 116.09 0.2 . 1 . . . . . . . . 5692 1 213 . 1 1 22 22 ALA H H 1 8.56 0.02 . 1 . . . . . . . . 5692 1 214 . 1 1 22 22 ALA HA H 1 4.46 0.02 . 1 . . . . . . . . 5692 1 215 . 1 1 22 22 ALA HB1 H 1 0.47 0.02 . 1 . . . . . . . . 5692 1 216 . 1 1 22 22 ALA HB2 H 1 0.47 0.02 . 1 . . . . . . . . 5692 1 217 . 1 1 22 22 ALA HB3 H 1 0.47 0.02 . 1 . . . . . . . . 5692 1 218 . 1 1 22 22 ALA CA C 13 52.91 0.2 . 1 . . . . . . . . 5692 1 219 . 1 1 22 22 ALA CB C 13 22.16 0.2 . 1 . . . . . . . . 5692 1 220 . 1 1 22 22 ALA N N 15 126.05 0.2 . 1 . . . . . . . . 5692 1 221 . 1 1 23 23 MET H H 1 9.77 0.02 . 1 . . . . . . . . 5692 1 222 . 1 1 23 23 MET HA H 1 4.22 0.02 . 1 . . . . . . . . 5692 1 223 . 1 1 23 23 MET HB2 H 1 2.47 0.02 . 1 . . . . . . . . 5692 1 224 . 1 1 23 23 MET HB3 H 1 2.47 0.02 . 1 . . . . . . . . 5692 1 225 . 1 1 23 23 MET HG2 H 1 2.47 0.02 . 2 . . . . . . . . 5692 1 226 . 1 1 23 23 MET HG3 H 1 2.43 0.02 . 2 . . . . . . . . 5692 1 227 . 1 1 23 23 MET HE1 H 1 2.00 0.02 . 1 . . . . . . . . 5692 1 228 . 1 1 23 23 MET HE2 H 1 2.00 0.02 . 1 . . . . . . . . 5692 1 229 . 1 1 23 23 MET HE3 H 1 2.00 0.02 . 1 . . . . . . . . 5692 1 230 . 1 1 23 23 MET CA C 13 56.28 0.2 . 1 . . . . . . . . 5692 1 231 . 1 1 23 23 MET CB C 13 29.87 0.2 . 1 . . . . . . . . 5692 1 232 . 1 1 23 23 MET CG C 13 32.42 0.2 . 1 . . . . . . . . 5692 1 233 . 1 1 23 23 MET CE C 13 16.53 0.2 . 1 . . . . . . . . 5692 1 234 . 1 1 23 23 MET N N 15 122.37 0.2 . 1 . . . . . . . . 5692 1 235 . 1 1 24 24 GLY H H 1 8.79 0.02 . 1 . . . . . . . . 5692 1 236 . 1 1 24 24 GLY HA2 H 1 4.13 0.02 . 2 . . . . . . . . 5692 1 237 . 1 1 24 24 GLY HA3 H 1 3.66 0.02 . 2 . . . . . . . . 5692 1 238 . 1 1 24 24 GLY CA C 13 45.58 0.2 . 1 . . . . . . . . 5692 1 239 . 1 1 24 24 GLY N N 15 108.17 0.2 . 1 . . . . . . . . 5692 1 240 . 1 1 25 25 LYS H H 1 7.86 0.02 . 1 . . . . . . . . 5692 1 241 . 1 1 25 25 LYS HA H 1 4.46 0.02 . 1 . . . . . . . . 5692 1 242 . 1 1 25 25 LYS HB2 H 1 1.35 0.02 . 2 . . . . . . . . 5692 1 243 . 1 1 25 25 LYS HB3 H 1 1.25 0.02 . 2 . . . . . . . . 5692 1 244 . 1 1 25 25 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 5692 1 245 . 1 1 25 25 LYS HG3 H 1 1.26 0.02 . 2 . . . . . . . . 5692 1 246 . 1 1 25 25 LYS HD2 H 1 1.59 0.02 . 2 . . . . . . . . 5692 1 247 . 1 1 25 25 LYS HD3 H 1 1.41 0.02 . 2 . . . . . . . . 5692 1 248 . 1 1 25 25 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 5692 1 249 . 1 1 25 25 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 5692 1 250 . 1 1 25 25 LYS CA C 13 54.29 0.2 . 1 . . . . . . . . 5692 1 251 . 1 1 25 25 LYS CB C 13 36.84 0.2 . 1 . . . . . . . . 5692 1 252 . 1 1 25 25 LYS CG C 13 25.45 0.2 . 1 . . . . . . . . 5692 1 253 . 1 1 25 25 LYS CD C 13 29.53 0.2 . 1 . . . . . . . . 5692 1 254 . 1 1 25 25 LYS CE C 13 42.34 0.2 . 1 . . . . . . . . 5692 1 255 . 1 1 25 25 LYS N N 15 122.80 0.2 . 1 . . . . . . . . 5692 1 256 . 1 1 26 26 GLN H H 1 7.92 0.02 . 1 . . . . . . . . 5692 1 257 . 1 1 26 26 GLN HA H 1 5.28 0.02 . 1 . . . . . . . . 5692 1 258 . 1 1 26 26 GLN HB2 H 1 1.78 0.02 . 2 . . . . . . . . 5692 1 259 . 1 1 26 26 GLN HB3 H 1 1.41 0.02 . 2 . . . . . . . . 5692 1 260 . 1 1 26 26 GLN HG2 H 1 2.18 0.02 . 1 . . . . . . . . 5692 1 261 . 1 1 26 26 GLN HG3 H 1 2.18 0.02 . 1 . . . . . . . . 5692 1 262 . 1 1 26 26 GLN HE22 H 1 6.71 0.02 . 1 . . . . . . . . 5692 1 263 . 1 1 26 26 GLN HE21 H 1 7.49 0.02 . 1 . . . . . . . . 5692 1 264 . 1 1 26 26 GLN CA C 13 54.83 0.2 . 1 . . . . . . . . 5692 1 265 . 1 1 26 26 GLN CB C 13 31.40 0.2 . 1 . . . . . . . . 5692 1 266 . 1 1 26 26 GLN CG C 13 35.24 0.2 . 1 . . . . . . . . 5692 1 267 . 1 1 26 26 GLN N N 15 122.32 0.2 . 1 . . . . . . . . 5692 1 268 . 1 1 26 26 GLN NE2 N 15 115.37 0.2 . 1 . . . . . . . . 5692 1 269 . 1 1 27 27 TRP H H 1 8.74 0.02 . 1 . . . . . . . . 5692 1 270 . 1 1 27 27 TRP HA H 1 5.55 0.02 . 1 . . . . . . . . 5692 1 271 . 1 1 27 27 TRP HB2 H 1 2.59 0.02 . 1 . . . . . . . . 5692 1 272 . 1 1 27 27 TRP HB3 H 1 3.55 0.02 . 1 . . . . . . . . 5692 1 273 . 1 1 27 27 TRP HD1 H 1 6.74 0.02 . 1 . . . . . . . . 5692 1 274 . 1 1 27 27 TRP HE1 H 1 9.71 0.02 . 1 . . . . . . . . 5692 1 275 . 1 1 27 27 TRP HZ2 H 1 7.27 0.02 . 1 . . . . . . . . 5692 1 276 . 1 1 27 27 TRP HH2 H 1 7.35 0.02 . 1 . . . . . . . . 5692 1 277 . 1 1 27 27 TRP HE3 H 1 7.69 0.02 . 1 . . . . . . . . 5692 1 278 . 1 1 27 27 TRP HZ3 H 1 7.13 0.02 . 1 . . . . . . . . 5692 1 279 . 1 1 27 27 TRP CA C 13 55.59 0.2 . 1 . . . . . . . . 5692 1 280 . 1 1 27 27 TRP CB C 13 32.95 0.2 . 1 . . . . . . . . 5692 1 281 . 1 1 27 27 TRP CD1 C 13 128.24 0.2 . 1 . . . . . . . . 5692 1 282 . 1 1 27 27 TRP CZ2 C 13 113.94 0.2 . 1 . . . . . . . . 5692 1 283 . 1 1 27 27 TRP CH2 C 13 123.77 0.2 . 1 . . . . . . . . 5692 1 284 . 1 1 27 27 TRP CE3 C 13 121.21 0.2 . 1 . . . . . . . . 5692 1 285 . 1 1 27 27 TRP CZ3 C 13 121.09 0.2 . 1 . . . . . . . . 5692 1 286 . 1 1 27 27 TRP N N 15 119.40 0.2 . 1 . . . . . . . . 5692 1 287 . 1 1 27 27 TRP NE1 N 15 132.42 0.2 . 1 . . . . . . . . 5692 1 288 . 1 1 28 28 HIS H H 1 8.89 0.02 . 1 . . . . . . . . 5692 1 289 . 1 1 28 28 HIS HA H 1 4.79 0.02 . 1 . . . . . . . . 5692 1 290 . 1 1 28 28 HIS HB2 H 1 2.52 0.02 . 2 . . . . . . . . 5692 1 291 . 1 1 28 28 HIS HB3 H 1 3.46 0.02 . 2 . . . . . . . . 5692 1 292 . 1 1 28 28 HIS HD2 H 1 7.75 0.02 . 1 . . . . . . . . 5692 1 293 . 1 1 28 28 HIS CA C 13 59.48 0.2 . 1 . . . . . . . . 5692 1 294 . 1 1 28 28 HIS CB C 13 30.57 0.2 . 1 . . . . . . . . 5692 1 295 . 1 1 28 28 HIS CD2 C 13 120.40 0.2 . 1 . . . . . . . . 5692 1 296 . 1 1 28 28 HIS N N 15 123.19 0.2 . 1 . . . . . . . . 5692 1 297 . 1 1 29 29 VAL H H 1 9.38 0.02 . 1 . . . . . . . . 5692 1 298 . 1 1 29 29 VAL HA H 1 3.75 0.02 . 1 . . . . . . . . 5692 1 299 . 1 1 29 29 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 5692 1 300 . 1 1 29 29 VAL HG11 H 1 0.98 0.02 . 1 . . . . . . . . 5692 1 301 . 1 1 29 29 VAL HG12 H 1 0.98 0.02 . 1 . . . . . . . . 5692 1 302 . 1 1 29 29 VAL HG13 H 1 0.98 0.02 . 1 . . . . . . . . 5692 1 303 . 1 1 29 29 VAL HG21 H 1 1.08 0.02 . 1 . . . . . . . . 5692 1 304 . 1 1 29 29 VAL HG22 H 1 1.08 0.02 . 1 . . . . . . . . 5692 1 305 . 1 1 29 29 VAL HG23 H 1 1.08 0.02 . 1 . . . . . . . . 5692 1 306 . 1 1 29 29 VAL CA C 13 66.61 0.2 . 1 . . . . . . . . 5692 1 307 . 1 1 29 29 VAL CB C 13 31.72 0.2 . 1 . . . . . . . . 5692 1 308 . 1 1 29 29 VAL CG1 C 13 21.13 0.2 . 1 . . . . . . . . 5692 1 309 . 1 1 29 29 VAL CG2 C 13 22.41 0.2 . 1 . . . . . . . . 5692 1 310 . 1 1 29 29 VAL N N 15 128.33 0.2 . 1 . . . . . . . . 5692 1 311 . 1 1 30 30 GLU H H 1 9.60 0.02 . 1 . . . . . . . . 5692 1 312 . 1 1 30 30 GLU HA H 1 4.00 0.02 . 1 . . . . . . . . 5692 1 313 . 1 1 30 30 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5692 1 314 . 1 1 30 30 GLU HB3 H 1 1.79 0.02 . 2 . . . . . . . . 5692 1 315 . 1 1 30 30 GLU HG2 H 1 2.10 0.02 . 2 . . . . . . . . 5692 1 316 . 1 1 30 30 GLU HG3 H 1 1.88 0.02 . 2 . . . . . . . . 5692 1 317 . 1 1 30 30 GLU CA C 13 58.15 0.2 . 1 . . . . . . . . 5692 1 318 . 1 1 30 30 GLU CB C 13 28.31 0.2 . 1 . . . . . . . . 5692 1 319 . 1 1 30 30 GLU CG C 13 35.88 0.2 . 1 . . . . . . . . 5692 1 320 . 1 1 30 30 GLU N N 15 118.40 0.2 . 1 . . . . . . . . 5692 1 321 . 1 1 31 31 HIS H H 1 7.92 0.02 . 1 . . . . . . . . 5692 1 322 . 1 1 31 31 HIS HA H 1 5.11 0.02 . 1 . . . . . . . . 5692 1 323 . 1 1 31 31 HIS HB2 H 1 3.88 0.02 . 2 . . . . . . . . 5692 1 324 . 1 1 31 31 HIS HB3 H 1 3.40 0.02 . 2 . . . . . . . . 5692 1 325 . 1 1 31 31 HIS HD2 H 1 6.99 0.02 . 1 . . . . . . . . 5692 1 326 . 1 1 31 31 HIS CA C 13 53.05 0.2 . 1 . . . . . . . . 5692 1 327 . 1 1 31 31 HIS CB C 13 33.92 0.2 . 1 . . . . . . . . 5692 1 328 . 1 1 31 31 HIS CD2 C 13 116.60 0.2 . 1 . . . . . . . . 5692 1 329 . 1 1 31 31 HIS N N 15 116.53 0.2 . 1 . . . . . . . . 5692 1 330 . 1 1 32 32 PHE H H 1 7.02 0.02 . 1 . . . . . . . . 5692 1 331 . 1 1 32 32 PHE HA H 1 4.62 0.02 . 1 . . . . . . . . 5692 1 332 . 1 1 32 32 PHE HB2 H 1 2.47 0.02 . 2 . . . . . . . . 5692 1 333 . 1 1 32 32 PHE HB3 H 1 2.89 0.02 . 2 . . . . . . . . 5692 1 334 . 1 1 32 32 PHE HD1 H 1 6.16 0.02 . 1 . . . . . . . . 5692 1 335 . 1 1 32 32 PHE HD2 H 1 6.16 0.02 . 1 . . . . . . . . 5692 1 336 . 1 1 32 32 PHE HE1 H 1 6.28 0.02 . 1 . . . . . . . . 5692 1 337 . 1 1 32 32 PHE HE2 H 1 6.28 0.02 . 1 . . . . . . . . 5692 1 338 . 1 1 32 32 PHE HZ H 1 5.45 0.02 . 1 . . . . . . . . 5692 1 339 . 1 1 32 32 PHE CA C 13 55.81 0.2 . 1 . . . . . . . . 5692 1 340 . 1 1 32 32 PHE CB C 13 37.20 0.2 . 1 . . . . . . . . 5692 1 341 . 1 1 32 32 PHE CD1 C 13 130.22 0.2 . 1 . . . . . . . . 5692 1 342 . 1 1 32 32 PHE CD2 C 13 130.22 0.2 . 1 . . . . . . . . 5692 1 343 . 1 1 32 32 PHE CE1 C 13 130.19 0.2 . 1 . . . . . . . . 5692 1 344 . 1 1 32 32 PHE CE2 C 13 130.19 0.2 . 1 . . . . . . . . 5692 1 345 . 1 1 32 32 PHE CZ C 13 127.66 0.2 . 1 . . . . . . . . 5692 1 346 . 1 1 32 32 PHE N N 15 125.75 0.2 . 1 . . . . . . . . 5692 1 347 . 1 1 33 33 VAL H H 1 7.73 0.02 . 1 . . . . . . . . 5692 1 348 . 1 1 33 33 VAL HA H 1 3.96 0.02 . 1 . . . . . . . . 5692 1 349 . 1 1 33 33 VAL HB H 1 1.14 0.02 . 1 . . . . . . . . 5692 1 350 . 1 1 33 33 VAL HG21 H 1 0.45 0.02 . 1 . . . . . . . . 5692 1 351 . 1 1 33 33 VAL HG22 H 1 0.45 0.02 . 1 . . . . . . . . 5692 1 352 . 1 1 33 33 VAL HG23 H 1 0.45 0.02 . 1 . . . . . . . . 5692 1 353 . 1 1 33 33 VAL HG11 H 1 0.33 0.02 . 1 . . . . . . . . 5692 1 354 . 1 1 33 33 VAL HG12 H 1 0.33 0.02 . 1 . . . . . . . . 5692 1 355 . 1 1 33 33 VAL HG13 H 1 0.33 0.02 . 1 . . . . . . . . 5692 1 356 . 1 1 33 33 VAL CA C 13 57.61 0.2 . 1 . . . . . . . . 5692 1 357 . 1 1 33 33 VAL CB C 13 36.00 0.2 . 1 . . . . . . . . 5692 1 358 . 1 1 33 33 VAL CG2 C 13 17.79 0.2 . 1 . . . . . . . . 5692 1 359 . 1 1 33 33 VAL CG1 C 13 20.36 0.2 . 1 . . . . . . . . 5692 1 360 . 1 1 33 33 VAL N N 15 121.33 0.2 . 1 . . . . . . . . 5692 1 361 . 1 1 34 34 CYS H H 1 6.46 0.02 . 1 . . . . . . . . 5692 1 362 . 1 1 34 34 CYS HA H 1 4.15 0.02 . 1 . . . . . . . . 5692 1 363 . 1 1 34 34 CYS HB2 H 1 2.78 0.02 . 2 . . . . . . . . 5692 1 364 . 1 1 34 34 CYS HB3 H 1 3.41 0.02 . 2 . . . . . . . . 5692 1 365 . 1 1 34 34 CYS CA C 13 58.06 0.2 . 1 . . . . . . . . 5692 1 366 . 1 1 34 34 CYS CB C 13 31.78 0.2 . 1 . . . . . . . . 5692 1 367 . 1 1 34 34 CYS N N 15 122.95 0.2 . 1 . . . . . . . . 5692 1 368 . 1 1 35 35 ALA H H 1 9.28 0.02 . 1 . . . . . . . . 5692 1 369 . 1 1 35 35 ALA HA H 1 4.04 0.02 . 1 . . . . . . . . 5692 1 370 . 1 1 35 35 ALA HB1 H 1 1.23 0.02 . 1 . . . . . . . . 5692 1 371 . 1 1 35 35 ALA HB2 H 1 1.23 0.02 . 1 . . . . . . . . 5692 1 372 . 1 1 35 35 ALA HB3 H 1 1.23 0.02 . 1 . . . . . . . . 5692 1 373 . 1 1 35 35 ALA CA C 13 54.20 0.2 . 1 . . . . . . . . 5692 1 374 . 1 1 35 35 ALA CB C 13 19.28 0.2 . 1 . . . . . . . . 5692 1 375 . 1 1 35 35 ALA N N 15 134.69 0.2 . 1 . . . . . . . . 5692 1 376 . 1 1 36 36 LYS H H 1 9.02 0.02 . 1 . . . . . . . . 5692 1 377 . 1 1 36 36 LYS HA H 1 4.55 0.02 . 1 . . . . . . . . 5692 1 378 . 1 1 36 36 LYS HB2 H 1 1.69 0.02 . 1 . . . . . . . . 5692 1 379 . 1 1 36 36 LYS HB3 H 1 1.69 0.02 . 1 . . . . . . . . 5692 1 380 . 1 1 36 36 LYS HG2 H 1 1.06 0.02 . 2 . . . . . . . . 5692 1 381 . 1 1 36 36 LYS HG3 H 1 0.97 0.02 . 2 . . . . . . . . 5692 1 382 . 1 1 36 36 LYS HD2 H 1 1.58 0.02 . 2 . . . . . . . . 5692 1 383 . 1 1 36 36 LYS HD3 H 1 1.50 0.02 . 2 . . . . . . . . 5692 1 384 . 1 1 36 36 LYS HE2 H 1 2.84 0.02 . 2 . . . . . . . . 5692 1 385 . 1 1 36 36 LYS HE3 H 1 2.78 0.02 . 2 . . . . . . . . 5692 1 386 . 1 1 36 36 LYS CA C 13 56.68 0.2 . 1 . . . . . . . . 5692 1 387 . 1 1 36 36 LYS CB C 13 33.32 0.2 . 1 . . . . . . . . 5692 1 388 . 1 1 36 36 LYS CG C 13 24.08 0.2 . 1 . . . . . . . . 5692 1 389 . 1 1 36 36 LYS CD C 13 27.90 0.2 . 1 . . . . . . . . 5692 1 390 . 1 1 36 36 LYS CE C 13 41.99 0.2 . 1 . . . . . . . . 5692 1 391 . 1 1 36 36 LYS N N 15 121.10 0.2 . 1 . . . . . . . . 5692 1 392 . 1 1 37 37 CYS H H 1 8.00 0.02 . 1 . . . . . . . . 5692 1 393 . 1 1 37 37 CYS HA H 1 4.70 0.02 . 1 . . . . . . . . 5692 1 394 . 1 1 37 37 CYS HB2 H 1 3.35 0.02 . 2 . . . . . . . . 5692 1 395 . 1 1 37 37 CYS HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5692 1 396 . 1 1 37 37 CYS CA C 13 58.35 0.2 . 1 . . . . . . . . 5692 1 397 . 1 1 37 37 CYS CB C 13 32.41 0.2 . 1 . . . . . . . . 5692 1 398 . 1 1 37 37 CYS N N 15 118.91 0.2 . 1 . . . . . . . . 5692 1 399 . 1 1 38 38 GLU H H 1 8.31 0.02 . 1 . . . . . . . . 5692 1 400 . 1 1 38 38 GLU HA H 1 3.83 0.02 . 1 . . . . . . . . 5692 1 401 . 1 1 38 38 GLU HB2 H 1 2.20 0.02 . 1 . . . . . . . . 5692 1 402 . 1 1 38 38 GLU HB3 H 1 2.20 0.02 . 1 . . . . . . . . 5692 1 403 . 1 1 38 38 GLU HG2 H 1 2.06 0.02 . 1 . . . . . . . . 5692 1 404 . 1 1 38 38 GLU HG3 H 1 2.06 0.02 . 1 . . . . . . . . 5692 1 405 . 1 1 38 38 GLU CA C 13 57.15 0.2 . 1 . . . . . . . . 5692 1 406 . 1 1 38 38 GLU CB C 13 26.27 0.2 . 1 . . . . . . . . 5692 1 407 . 1 1 38 38 GLU CG C 13 35.75 0.2 . 1 . . . . . . . . 5692 1 408 . 1 1 38 38 GLU N N 15 119.27 0.2 . 1 . . . . . . . . 5692 1 409 . 1 1 39 39 LYS H H 1 7.44 0.02 . 1 . . . . . . . . 5692 1 410 . 1 1 39 39 LYS HA H 1 4.70 0.02 . 1 . . . . . . . . 5692 1 411 . 1 1 39 39 LYS HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5692 1 412 . 1 1 39 39 LYS HB3 H 1 1.69 0.02 . 2 . . . . . . . . 5692 1 413 . 1 1 39 39 LYS HG2 H 1 1.56 0.02 . 2 . . . . . . . . 5692 1 414 . 1 1 39 39 LYS HG3 H 1 1.43 0.02 . 2 . . . . . . . . 5692 1 415 . 1 1 39 39 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 5692 1 416 . 1 1 39 39 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 5692 1 417 . 1 1 39 39 LYS HE2 H 1 3.05 0.02 . 1 . . . . . . . . 5692 1 418 . 1 1 39 39 LYS HE3 H 1 3.05 0.02 . 1 . . . . . . . . 5692 1 419 . 1 1 39 39 LYS CA C 13 53.53 0.2 . 1 . . . . . . . . 5692 1 420 . 1 1 39 39 LYS CB C 13 32.53 0.2 . 1 . . . . . . . . 5692 1 421 . 1 1 39 39 LYS CG C 13 24.89 0.2 . 1 . . . . . . . . 5692 1 422 . 1 1 39 39 LYS CD C 13 28.86 0.2 . 1 . . . . . . . . 5692 1 423 . 1 1 39 39 LYS CE C 13 42.26 0.2 . 1 . . . . . . . . 5692 1 424 . 1 1 39 39 LYS N N 15 121.05 0.2 . 1 . . . . . . . . 5692 1 425 . 1 1 40 40 PRO HA H 1 4.51 0.02 . 1 . . . . . . . . 5692 1 426 . 1 1 40 40 PRO HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5692 1 427 . 1 1 40 40 PRO HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5692 1 428 . 1 1 40 40 PRO HG2 H 1 2.12 0.02 . 2 . . . . . . . . 5692 1 429 . 1 1 40 40 PRO HG3 H 1 2.05 0.02 . 2 . . . . . . . . 5692 1 430 . 1 1 40 40 PRO HD2 H 1 3.85 0.02 . 2 . . . . . . . . 5692 1 431 . 1 1 40 40 PRO HD3 H 1 3.75 0.02 . 2 . . . . . . . . 5692 1 432 . 1 1 40 40 PRO CA C 13 61.74 0.2 . 1 . . . . . . . . 5692 1 433 . 1 1 40 40 PRO CB C 13 31.48 0.2 . 1 . . . . . . . . 5692 1 434 . 1 1 40 40 PRO CG C 13 26.91 0.2 . 1 . . . . . . . . 5692 1 435 . 1 1 40 40 PRO CD C 13 50.80 0.2 . 1 . . . . . . . . 5692 1 436 . 1 1 41 41 PHE H H 1 6.94 0.02 . 1 . . . . . . . . 5692 1 437 . 1 1 41 41 PHE HA H 1 4.20 0.02 . 1 . . . . . . . . 5692 1 438 . 1 1 41 41 PHE HB2 H 1 3.45 0.02 . 2 . . . . . . . . 5692 1 439 . 1 1 41 41 PHE HB3 H 1 2.60 0.02 . 2 . . . . . . . . 5692 1 440 . 1 1 41 41 PHE HD1 H 1 6.59 0.02 . 1 . . . . . . . . 5692 1 441 . 1 1 41 41 PHE HD2 H 1 6.59 0.02 . 1 . . . . . . . . 5692 1 442 . 1 1 41 41 PHE HE1 H 1 6.39 0.02 . 1 . . . . . . . . 5692 1 443 . 1 1 41 41 PHE HE2 H 1 6.39 0.02 . 1 . . . . . . . . 5692 1 444 . 1 1 41 41 PHE CA C 13 60.71 0.2 . 1 . . . . . . . . 5692 1 445 . 1 1 41 41 PHE CB C 13 38.90 0.2 . 1 . . . . . . . . 5692 1 446 . 1 1 41 41 PHE CD1 C 13 131.82 0.2 . 1 . . . . . . . . 5692 1 447 . 1 1 41 41 PHE CD2 C 13 131.82 0.2 . 1 . . . . . . . . 5692 1 448 . 1 1 41 41 PHE CE1 C 13 128.24 0.2 . 1 . . . . . . . . 5692 1 449 . 1 1 41 41 PHE CE2 C 13 128.24 0.2 . 1 . . . . . . . . 5692 1 450 . 1 1 41 41 PHE N N 15 121.92 0.2 . 1 . . . . . . . . 5692 1 451 . 1 1 42 42 LEU H H 1 8.77 0.02 . 1 . . . . . . . . 5692 1 452 . 1 1 42 42 LEU HA H 1 3.77 0.02 . 1 . . . . . . . . 5692 1 453 . 1 1 42 42 LEU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5692 1 454 . 1 1 42 42 LEU HB3 H 1 1.51 0.02 . 2 . . . . . . . . 5692 1 455 . 1 1 42 42 LEU HG H 1 1.40 0.02 . 1 . . . . . . . . 5692 1 456 . 1 1 42 42 LEU HD11 H 1 0.81 0.02 . 1 . . . . . . . . 5692 1 457 . 1 1 42 42 LEU HD12 H 1 0.81 0.02 . 1 . . . . . . . . 5692 1 458 . 1 1 42 42 LEU HD13 H 1 0.81 0.02 . 1 . . . . . . . . 5692 1 459 . 1 1 42 42 LEU HD21 H 1 0.95 0.02 . 1 . . . . . . . . 5692 1 460 . 1 1 42 42 LEU HD22 H 1 0.95 0.02 . 1 . . . . . . . . 5692 1 461 . 1 1 42 42 LEU HD23 H 1 0.95 0.02 . 1 . . . . . . . . 5692 1 462 . 1 1 42 42 LEU CA C 13 55.45 0.2 . 1 . . . . . . . . 5692 1 463 . 1 1 42 42 LEU CB C 13 38.73 0.2 . 1 . . . . . . . . 5692 1 464 . 1 1 42 42 LEU CG C 13 26.19 0.2 . 1 . . . . . . . . 5692 1 465 . 1 1 42 42 LEU CD1 C 13 22.64 0.2 . 1 . . . . . . . . 5692 1 466 . 1 1 42 42 LEU CD2 C 13 25.70 0.2 . 1 . . . . . . . . 5692 1 467 . 1 1 42 42 LEU N N 15 117.30 0.2 . 1 . . . . . . . . 5692 1 468 . 1 1 43 43 GLY H H 1 8.72 0.02 . 1 . . . . . . . . 5692 1 469 . 1 1 43 43 GLY HA2 H 1 4.12 0.02 . 2 . . . . . . . . 5692 1 470 . 1 1 43 43 GLY HA3 H 1 3.84 0.02 . 2 . . . . . . . . 5692 1 471 . 1 1 43 43 GLY CA C 13 45.20 0.2 . 1 . . . . . . . . 5692 1 472 . 1 1 43 43 GLY N N 15 109.26 0.2 . 1 . . . . . . . . 5692 1 473 . 1 1 44 44 HIS H H 1 8.07 0.02 . 1 . . . . . . . . 5692 1 474 . 1 1 44 44 HIS HA H 1 4.67 0.02 . 1 . . . . . . . . 5692 1 475 . 1 1 44 44 HIS HB2 H 1 3.54 0.02 . 1 . . . . . . . . 5692 1 476 . 1 1 44 44 HIS HB3 H 1 3.54 0.02 . 1 . . . . . . . . 5692 1 477 . 1 1 44 44 HIS HE1 H 1 7.33 0.02 . 1 . . . . . . . . 5692 1 478 . 1 1 44 44 HIS HD2 H 1 7.52 0.02 . 1 . . . . . . . . 5692 1 479 . 1 1 44 44 HIS CA C 13 55.65 0.2 . 1 . . . . . . . . 5692 1 480 . 1 1 44 44 HIS CB C 13 29.67 0.2 . 1 . . . . . . . . 5692 1 481 . 1 1 44 44 HIS CE1 C 13 136.69 0.2 . 1 . . . . . . . . 5692 1 482 . 1 1 44 44 HIS CD2 C 13 120.08 0.2 . 1 . . . . . . . . 5692 1 483 . 1 1 44 44 HIS N N 15 121.33 0.2 . 1 . . . . . . . . 5692 1 484 . 1 1 45 45 ARG H H 1 8.61 0.02 . 1 . . . . . . . . 5692 1 485 . 1 1 45 45 ARG HA H 1 4.00 0.02 . 1 . . . . . . . . 5692 1 486 . 1 1 45 45 ARG HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5692 1 487 . 1 1 45 45 ARG HB3 H 1 1.60 0.02 . 2 . . . . . . . . 5692 1 488 . 1 1 45 45 ARG HG2 H 1 1.42 0.02 . 2 . . . . . . . . 5692 1 489 . 1 1 45 45 ARG HG3 H 1 1.28 0.02 . 2 . . . . . . . . 5692 1 490 . 1 1 45 45 ARG HD2 H 1 3.02 0.02 . 1 . . . . . . . . 5692 1 491 . 1 1 45 45 ARG HD3 H 1 3.02 0.02 . 1 . . . . . . . . 5692 1 492 . 1 1 45 45 ARG HE H 1 6.78 0.02 . 1 . . . . . . . . 5692 1 493 . 1 1 45 45 ARG CA C 13 57.05 0.2 . 1 . . . . . . . . 5692 1 494 . 1 1 45 45 ARG CB C 13 30.95 0.2 . 1 . . . . . . . . 5692 1 495 . 1 1 45 45 ARG CG C 13 26.62 0.2 . 1 . . . . . . . . 5692 1 496 . 1 1 45 45 ARG CD C 13 43.36 0.2 . 1 . . . . . . . . 5692 1 497 . 1 1 45 45 ARG N N 15 123.75 0.2 . 1 . . . . . . . . 5692 1 498 . 1 1 45 45 ARG NE N 15 86.45 0.2 . 1 . . . . . . . . 5692 1 499 . 1 1 46 46 HIS H H 1 7.72 0.02 . 1 . . . . . . . . 5692 1 500 . 1 1 46 46 HIS HA H 1 4.92 0.02 . 1 . . . . . . . . 5692 1 501 . 1 1 46 46 HIS HB2 H 1 1.95 0.02 . 1 . . . . . . . . 5692 1 502 . 1 1 46 46 HIS HB3 H 1 0.94 0.02 . 1 . . . . . . . . 5692 1 503 . 1 1 46 46 HIS HD2 H 1 6.67 0.02 . 1 . . . . . . . . 5692 1 504 . 1 1 46 46 HIS CA C 13 53.48 0.2 . 1 . . . . . . . . 5692 1 505 . 1 1 46 46 HIS CB C 13 31.06 0.2 . 1 . . . . . . . . 5692 1 506 . 1 1 46 46 HIS CD2 C 13 119.08 0.2 . 1 . . . . . . . . 5692 1 507 . 1 1 46 46 HIS N N 15 119.89 0.2 . 1 . . . . . . . . 5692 1 508 . 1 1 47 47 TYR H H 1 8.92 0.02 . 1 . . . . . . . . 5692 1 509 . 1 1 47 47 TYR HA H 1 4.30 0.02 . 1 . . . . . . . . 5692 1 510 . 1 1 47 47 TYR HB2 H 1 2.27 0.02 . 2 . . . . . . . . 5692 1 511 . 1 1 47 47 TYR HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5692 1 512 . 1 1 47 47 TYR HD1 H 1 6.62 0.02 . 1 . . . . . . . . 5692 1 513 . 1 1 47 47 TYR HD2 H 1 6.62 0.02 . 1 . . . . . . . . 5692 1 514 . 1 1 47 47 TYR HE1 H 1 6.53 0.02 . 1 . . . . . . . . 5692 1 515 . 1 1 47 47 TYR HE2 H 1 6.53 0.02 . 1 . . . . . . . . 5692 1 516 . 1 1 47 47 TYR CA C 13 56.73 0.2 . 1 . . . . . . . . 5692 1 517 . 1 1 47 47 TYR CB C 13 41.40 0.2 . 1 . . . . . . . . 5692 1 518 . 1 1 47 47 TYR CD1 C 13 132.26 0.2 . 1 . . . . . . . . 5692 1 519 . 1 1 47 47 TYR CD2 C 13 132.26 0.2 . 1 . . . . . . . . 5692 1 520 . 1 1 47 47 TYR CE1 C 13 116.87 0.2 . 1 . . . . . . . . 5692 1 521 . 1 1 47 47 TYR CE2 C 13 116.87 0.2 . 1 . . . . . . . . 5692 1 522 . 1 1 47 47 TYR N N 15 123.16 0.2 . 1 . . . . . . . . 5692 1 523 . 1 1 48 48 GLU H H 1 8.83 0.02 . 1 . . . . . . . . 5692 1 524 . 1 1 48 48 GLU HA H 1 5.52 0.02 . 1 . . . . . . . . 5692 1 525 . 1 1 48 48 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5692 1 526 . 1 1 48 48 GLU HB3 H 1 2.00 0.02 . 2 . . . . . . . . 5692 1 527 . 1 1 48 48 GLU HG2 H 1 2.42 0.02 . 1 . . . . . . . . 5692 1 528 . 1 1 48 48 GLU HG3 H 1 2.42 0.02 . 1 . . . . . . . . 5692 1 529 . 1 1 48 48 GLU CA C 13 55.14 0.2 . 1 . . . . . . . . 5692 1 530 . 1 1 48 48 GLU CB C 13 31.78 0.2 . 1 . . . . . . . . 5692 1 531 . 1 1 48 48 GLU CG C 13 36.86 0.2 . 1 . . . . . . . . 5692 1 532 . 1 1 48 48 GLU N N 15 124.47 0.2 . 1 . . . . . . . . 5692 1 533 . 1 1 49 49 ARG H H 1 9.34 0.02 . 1 . . . . . . . . 5692 1 534 . 1 1 49 49 ARG HA H 1 4.52 0.02 . 1 . . . . . . . . 5692 1 535 . 1 1 49 49 ARG HB2 H 1 1.71 0.02 . 1 . . . . . . . . 5692 1 536 . 1 1 49 49 ARG HB3 H 1 1.71 0.02 . 1 . . . . . . . . 5692 1 537 . 1 1 49 49 ARG HG2 H 1 1.32 0.02 . 2 . . . . . . . . 5692 1 538 . 1 1 49 49 ARG HG3 H 1 1.03 0.02 . 2 . . . . . . . . 5692 1 539 . 1 1 49 49 ARG HD2 H 1 2.71 0.02 . 2 . . . . . . . . 5692 1 540 . 1 1 49 49 ARG HD3 H 1 2.38 0.02 . 2 . . . . . . . . 5692 1 541 . 1 1 49 49 ARG HE H 1 7.18 0.02 . 1 . . . . . . . . 5692 1 542 . 1 1 49 49 ARG CA C 13 56.61 0.2 . 1 . . . . . . . . 5692 1 543 . 1 1 49 49 ARG CB C 13 33.20 0.2 . 1 . . . . . . . . 5692 1 544 . 1 1 49 49 ARG CG C 13 27.08 0.2 . 1 . . . . . . . . 5692 1 545 . 1 1 49 49 ARG CD C 13 42.51 0.2 . 1 . . . . . . . . 5692 1 546 . 1 1 49 49 ARG N N 15 125.51 0.2 . 1 . . . . . . . . 5692 1 547 . 1 1 49 49 ARG NE N 15 86.51 0.2 . 1 . . . . . . . . 5692 1 548 . 1 1 50 50 LYS H H 1 9.73 0.02 . 1 . . . . . . . . 5692 1 549 . 1 1 50 50 LYS HA H 1 3.96 0.02 . 1 . . . . . . . . 5692 1 550 . 1 1 50 50 LYS HB2 H 1 2.17 0.02 . 2 . . . . . . . . 5692 1 551 . 1 1 50 50 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5692 1 552 . 1 1 50 50 LYS HG2 H 1 1.47 0.02 . 1 . . . . . . . . 5692 1 553 . 1 1 50 50 LYS HG3 H 1 1.47 0.02 . 1 . . . . . . . . 5692 1 554 . 1 1 50 50 LYS HD2 H 1 1.76 0.02 . 1 . . . . . . . . 5692 1 555 . 1 1 50 50 LYS HD3 H 1 1.76 0.02 . 1 . . . . . . . . 5692 1 556 . 1 1 50 50 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 5692 1 557 . 1 1 50 50 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 5692 1 558 . 1 1 50 50 LYS CA C 13 57.13 0.2 . 1 . . . . . . . . 5692 1 559 . 1 1 50 50 LYS CB C 13 30.74 0.2 . 1 . . . . . . . . 5692 1 560 . 1 1 50 50 LYS CG C 13 25.72 0.2 . 1 . . . . . . . . 5692 1 561 . 1 1 50 50 LYS CD C 13 29.20 0.2 . 1 . . . . . . . . 5692 1 562 . 1 1 50 50 LYS CE C 13 42.09 0.2 . 1 . . . . . . . . 5692 1 563 . 1 1 50 50 LYS N N 15 130.98 0.2 . 1 . . . . . . . . 5692 1 564 . 1 1 51 51 GLY H H 1 8.91 0.02 . 1 . . . . . . . . 5692 1 565 . 1 1 51 51 GLY HA2 H 1 4.20 0.02 . 2 . . . . . . . . 5692 1 566 . 1 1 51 51 GLY HA3 H 1 3.71 0.02 . 2 . . . . . . . . 5692 1 567 . 1 1 51 51 GLY CA C 13 45.68 0.2 . 1 . . . . . . . . 5692 1 568 . 1 1 51 51 GLY N N 15 106.74 0.2 . 1 . . . . . . . . 5692 1 569 . 1 1 52 52 LEU H H 1 7.87 0.02 . 1 . . . . . . . . 5692 1 570 . 1 1 52 52 LEU HA H 1 4.70 0.02 . 1 . . . . . . . . 5692 1 571 . 1 1 52 52 LEU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5692 1 572 . 1 1 52 52 LEU HB3 H 1 1.13 0.02 . 2 . . . . . . . . 5692 1 573 . 1 1 52 52 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 5692 1 574 . 1 1 52 52 LEU HD21 H 1 1.01 0.02 . 1 . . . . . . . . 5692 1 575 . 1 1 52 52 LEU HD22 H 1 1.01 0.02 . 1 . . . . . . . . 5692 1 576 . 1 1 52 52 LEU HD23 H 1 1.01 0.02 . 1 . . . . . . . . 5692 1 577 . 1 1 52 52 LEU HD11 H 1 1.02 0.02 . 1 . . . . . . . . 5692 1 578 . 1 1 52 52 LEU HD12 H 1 1.02 0.02 . 1 . . . . . . . . 5692 1 579 . 1 1 52 52 LEU HD13 H 1 1.02 0.02 . 1 . . . . . . . . 5692 1 580 . 1 1 52 52 LEU CA C 13 53.25 0.2 . 1 . . . . . . . . 5692 1 581 . 1 1 52 52 LEU CB C 13 45.13 0.2 . 1 . . . . . . . . 5692 1 582 . 1 1 52 52 LEU CG C 13 27.25 0.2 . 1 . . . . . . . . 5692 1 583 . 1 1 52 52 LEU CD2 C 13 23.42 0.2 . 1 . . . . . . . . 5692 1 584 . 1 1 52 52 LEU CD1 C 13 25.65 0.2 . 1 . . . . . . . . 5692 1 585 . 1 1 52 52 LEU N N 15 124.05 0.2 . 1 . . . . . . . . 5692 1 586 . 1 1 53 53 ALA H H 1 8.19 0.02 . 1 . . . . . . . . 5692 1 587 . 1 1 53 53 ALA HA H 1 5.49 0.02 . 1 . . . . . . . . 5692 1 588 . 1 1 53 53 ALA HB1 H 1 1.17 0.02 . 1 . . . . . . . . 5692 1 589 . 1 1 53 53 ALA HB2 H 1 1.17 0.02 . 1 . . . . . . . . 5692 1 590 . 1 1 53 53 ALA HB3 H 1 1.17 0.02 . 1 . . . . . . . . 5692 1 591 . 1 1 53 53 ALA CA C 13 49.75 0.2 . 1 . . . . . . . . 5692 1 592 . 1 1 53 53 ALA CB C 13 22.47 0.2 . 1 . . . . . . . . 5692 1 593 . 1 1 53 53 ALA N N 15 124.63 0.2 . 1 . . . . . . . . 5692 1 594 . 1 1 54 54 TYR H H 1 9.20 0.02 . 1 . . . . . . . . 5692 1 595 . 1 1 54 54 TYR HA H 1 6.06 0.02 . 1 . . . . . . . . 5692 1 596 . 1 1 54 54 TYR HB2 H 1 2.86 0.02 . 2 . . . . . . . . 5692 1 597 . 1 1 54 54 TYR HB3 H 1 3.58 0.02 . 2 . . . . . . . . 5692 1 598 . 1 1 54 54 TYR HD1 H 1 7.18 0.02 . 1 . . . . . . . . 5692 1 599 . 1 1 54 54 TYR HD2 H 1 7.18 0.02 . 1 . . . . . . . . 5692 1 600 . 1 1 54 54 TYR HE1 H 1 6.85 0.02 . 1 . . . . . . . . 5692 1 601 . 1 1 54 54 TYR HE2 H 1 6.85 0.02 . 1 . . . . . . . . 5692 1 602 . 1 1 54 54 TYR CA C 13 56.96 0.2 . 1 . . . . . . . . 5692 1 603 . 1 1 54 54 TYR CB C 13 45.00 0.2 . 1 . . . . . . . . 5692 1 604 . 1 1 54 54 TYR CD1 C 13 132.40 0.2 . 1 . . . . . . . . 5692 1 605 . 1 1 54 54 TYR CD2 C 13 132.40 0.2 . 1 . . . . . . . . 5692 1 606 . 1 1 54 54 TYR CE1 C 13 118.50 0.2 . 1 . . . . . . . . 5692 1 607 . 1 1 54 54 TYR CE2 C 13 118.50 0.2 . 1 . . . . . . . . 5692 1 608 . 1 1 54 54 TYR N N 15 118.37 0.2 . 1 . . . . . . . . 5692 1 609 . 1 1 55 55 CYS H H 1 9.76 0.02 . 1 . . . . . . . . 5692 1 610 . 1 1 55 55 CYS HA H 1 5.32 0.02 . 1 . . . . . . . . 5692 1 611 . 1 1 55 55 CYS HB2 H 1 3.65 0.02 . 2 . . . . . . . . 5692 1 612 . 1 1 55 55 CYS HB3 H 1 3.37 0.02 . 2 . . . . . . . . 5692 1 613 . 1 1 55 55 CYS CA C 13 57.32 0.2 . 1 . . . . . . . . 5692 1 614 . 1 1 55 55 CYS CB C 13 30.51 0.2 . 1 . . . . . . . . 5692 1 615 . 1 1 55 55 CYS N N 15 123.97 0.2 . 1 . . . . . . . . 5692 1 616 . 1 1 56 56 GLU H H 1 9.14 0.02 . 1 . . . . . . . . 5692 1 617 . 1 1 56 56 GLU HA H 1 3.64 0.02 . 1 . . . . . . . . 5692 1 618 . 1 1 56 56 GLU HB2 H 1 2.23 0.02 . 1 . . . . . . . . 5692 1 619 . 1 1 56 56 GLU HB3 H 1 2.23 0.02 . 1 . . . . . . . . 5692 1 620 . 1 1 56 56 GLU HG2 H 1 2.21 0.02 . 1 . . . . . . . . 5692 1 621 . 1 1 56 56 GLU HG3 H 1 2.21 0.02 . 1 . . . . . . . . 5692 1 622 . 1 1 56 56 GLU CA C 13 60.75 0.2 . 1 . . . . . . . . 5692 1 623 . 1 1 56 56 GLU CB C 13 30.41 0.2 . 1 . . . . . . . . 5692 1 624 . 1 1 56 56 GLU CG C 13 35.87 0.2 . 1 . . . . . . . . 5692 1 625 . 1 1 56 56 GLU N N 15 123.78 0.2 . 1 . . . . . . . . 5692 1 626 . 1 1 57 57 THR H H 1 8.13 0.02 . 1 . . . . . . . . 5692 1 627 . 1 1 57 57 THR HA H 1 3.83 0.02 . 1 . . . . . . . . 5692 1 628 . 1 1 57 57 THR HB H 1 3.70 0.02 . 1 . . . . . . . . 5692 1 629 . 1 1 57 57 THR HG21 H 1 0.80 0.02 . 1 . . . . . . . . 5692 1 630 . 1 1 57 57 THR HG22 H 1 0.80 0.02 . 1 . . . . . . . . 5692 1 631 . 1 1 57 57 THR HG23 H 1 0.80 0.02 . 1 . . . . . . . . 5692 1 632 . 1 1 57 57 THR CA C 13 66.41 0.2 . 1 . . . . . . . . 5692 1 633 . 1 1 57 57 THR CB C 13 68.92 0.2 . 1 . . . . . . . . 5692 1 634 . 1 1 57 57 THR CG2 C 13 20.82 0.2 . 1 . . . . . . . . 5692 1 635 . 1 1 57 57 THR N N 15 116.42 0.2 . 1 . . . . . . . . 5692 1 636 . 1 1 58 58 HIS H H 1 8.35 0.02 . 1 . . . . . . . . 5692 1 637 . 1 1 58 58 HIS HA H 1 4.40 0.02 . 1 . . . . . . . . 5692 1 638 . 1 1 58 58 HIS HB2 H 1 3.50 0.02 . 2 . . . . . . . . 5692 1 639 . 1 1 58 58 HIS HB3 H 1 3.21 0.02 . 2 . . . . . . . . 5692 1 640 . 1 1 58 58 HIS HE1 H 1 7.94 0.02 . 1 . . . . . . . . 5692 1 641 . 1 1 58 58 HIS HD2 H 1 7.37 0.02 . 1 . . . . . . . . 5692 1 642 . 1 1 58 58 HIS CA C 13 62.29 0.2 . 1 . . . . . . . . 5692 1 643 . 1 1 58 58 HIS CB C 13 30.18 0.2 . 1 . . . . . . . . 5692 1 644 . 1 1 58 58 HIS CE1 C 13 139.11 0.2 . 1 . . . . . . . . 5692 1 645 . 1 1 58 58 HIS CD2 C 13 118.08 0.2 . 1 . . . . . . . . 5692 1 646 . 1 1 58 58 HIS N N 15 123.58 0.2 . 1 . . . . . . . . 5692 1 647 . 1 1 59 59 TYR H H 1 9.43 0.02 . 1 . . . . . . . . 5692 1 648 . 1 1 59 59 TYR HA H 1 3.84 0.02 . 1 . . . . . . . . 5692 1 649 . 1 1 59 59 TYR HB2 H 1 2.92 0.02 . 2 . . . . . . . . 5692 1 650 . 1 1 59 59 TYR HB3 H 1 2.58 0.02 . 2 . . . . . . . . 5692 1 651 . 1 1 59 59 TYR HD1 H 1 6.58 0.02 . 1 . . . . . . . . 5692 1 652 . 1 1 59 59 TYR HD2 H 1 6.58 0.02 . 1 . . . . . . . . 5692 1 653 . 1 1 59 59 TYR HE1 H 1 6.57 0.02 . 1 . . . . . . . . 5692 1 654 . 1 1 59 59 TYR HE2 H 1 6.57 0.02 . 1 . . . . . . . . 5692 1 655 . 1 1 59 59 TYR CA C 13 61.62 0.2 . 1 . . . . . . . . 5692 1 656 . 1 1 59 59 TYR CB C 13 38.96 0.2 . 1 . . . . . . . . 5692 1 657 . 1 1 59 59 TYR CD1 C 13 132.77 0.2 . 1 . . . . . . . . 5692 1 658 . 1 1 59 59 TYR CD2 C 13 132.77 0.2 . 1 . . . . . . . . 5692 1 659 . 1 1 59 59 TYR CE1 C 13 117.70 0.2 . 1 . . . . . . . . 5692 1 660 . 1 1 59 59 TYR CE2 C 13 117.70 0.2 . 1 . . . . . . . . 5692 1 661 . 1 1 59 59 TYR N N 15 125.10 0.2 . 1 . . . . . . . . 5692 1 662 . 1 1 60 60 ASN H H 1 7.95 0.02 . 1 . . . . . . . . 5692 1 663 . 1 1 60 60 ASN HA H 1 4.21 0.02 . 1 . . . . . . . . 5692 1 664 . 1 1 60 60 ASN HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5692 1 665 . 1 1 60 60 ASN HB3 H 1 2.72 0.02 . 2 . . . . . . . . 5692 1 666 . 1 1 60 60 ASN HD22 H 1 6.99 0.02 . 1 . . . . . . . . 5692 1 667 . 1 1 60 60 ASN HD21 H 1 7.53 0.02 . 1 . . . . . . . . 5692 1 668 . 1 1 60 60 ASN CA C 13 55.62 0.2 . 1 . . . . . . . . 5692 1 669 . 1 1 60 60 ASN CB C 13 38.02 0.2 . 1 . . . . . . . . 5692 1 670 . 1 1 60 60 ASN N N 15 118.29 0.2 . 1 . . . . . . . . 5692 1 671 . 1 1 60 60 ASN ND2 N 15 114.04 0.2 . 1 . . . . . . . . 5692 1 672 . 1 1 61 61 GLN H H 1 7.56 0.02 . 1 . . . . . . . . 5692 1 673 . 1 1 61 61 GLN HA H 1 3.99 0.02 . 1 . . . . . . . . 5692 1 674 . 1 1 61 61 GLN HB2 H 1 2.06 0.02 . 1 . . . . . . . . 5692 1 675 . 1 1 61 61 GLN HB3 H 1 2.06 0.02 . 1 . . . . . . . . 5692 1 676 . 1 1 61 61 GLN HG2 H 1 2.57 0.02 . 2 . . . . . . . . 5692 1 677 . 1 1 61 61 GLN HG3 H 1 2.25 0.02 . 2 . . . . . . . . 5692 1 678 . 1 1 61 61 GLN HE22 H 1 6.74 0.02 . 1 . . . . . . . . 5692 1 679 . 1 1 61 61 GLN HE21 H 1 7.45 0.02 . 1 . . . . . . . . 5692 1 680 . 1 1 61 61 GLN CA C 13 57.94 0.2 . 1 . . . . . . . . 5692 1 681 . 1 1 61 61 GLN CB C 13 29.35 0.2 . 1 . . . . . . . . 5692 1 682 . 1 1 61 61 GLN CG C 13 33.71 0.2 . 1 . . . . . . . . 5692 1 683 . 1 1 61 61 GLN N N 15 120.03 0.2 . 1 . . . . . . . . 5692 1 684 . 1 1 61 61 GLN NE2 N 15 112.74 0.2 . 1 . . . . . . . . 5692 1 685 . 1 1 62 62 LEU H H 1 7.53 0.02 . 1 . . . . . . . . 5692 1 686 . 1 1 62 62 LEU HA H 1 3.85 0.02 . 1 . . . . . . . . 5692 1 687 . 1 1 62 62 LEU HB2 H 1 0.81 0.02 . 2 . . . . . . . . 5692 1 688 . 1 1 62 62 LEU HB3 H 1 0.14 0.02 . 2 . . . . . . . . 5692 1 689 . 1 1 62 62 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . 5692 1 690 . 1 1 62 62 LEU HD11 H 1 0.58 0.02 . 1 . . . . . . . . 5692 1 691 . 1 1 62 62 LEU HD12 H 1 0.58 0.02 . 1 . . . . . . . . 5692 1 692 . 1 1 62 62 LEU HD13 H 1 0.58 0.02 . 1 . . . . . . . . 5692 1 693 . 1 1 62 62 LEU HD21 H 1 0.49 0.02 . 1 . . . . . . . . 5692 1 694 . 1 1 62 62 LEU HD22 H 1 0.49 0.02 . 1 . . . . . . . . 5692 1 695 . 1 1 62 62 LEU HD23 H 1 0.49 0.02 . 1 . . . . . . . . 5692 1 696 . 1 1 62 62 LEU CA C 13 56.36 0.2 . 1 . . . . . . . . 5692 1 697 . 1 1 62 62 LEU CB C 13 41.51 0.2 . 1 . . . . . . . . 5692 1 698 . 1 1 62 62 LEU CG C 13 27.02 0.2 . 1 . . . . . . . . 5692 1 699 . 1 1 62 62 LEU CD1 C 13 22.69 0.2 . 1 . . . . . . . . 5692 1 700 . 1 1 62 62 LEU CD2 C 13 25.43 0.2 . 1 . . . . . . . . 5692 1 701 . 1 1 62 62 LEU N N 15 119.78 0.2 . 1 . . . . . . . . 5692 1 702 . 1 1 63 63 PHE H H 1 7.65 0.02 . 1 . . . . . . . . 5692 1 703 . 1 1 63 63 PHE HA H 1 4.67 0.02 . 1 . . . . . . . . 5692 1 704 . 1 1 63 63 PHE HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5692 1 705 . 1 1 63 63 PHE HB3 H 1 3.00 0.02 . 2 . . . . . . . . 5692 1 706 . 1 1 63 63 PHE HD1 H 1 6.81 0.02 . 1 . . . . . . . . 5692 1 707 . 1 1 63 63 PHE HD2 H 1 6.81 0.02 . 1 . . . . . . . . 5692 1 708 . 1 1 63 63 PHE HE1 H 1 6.60 0.02 . 1 . . . . . . . . 5692 1 709 . 1 1 63 63 PHE HE2 H 1 6.60 0.02 . 1 . . . . . . . . 5692 1 710 . 1 1 63 63 PHE HZ H 1 7.02 0.02 . 1 . . . . . . . . 5692 1 711 . 1 1 63 63 PHE CA C 13 56.62 0.2 . 1 . . . . . . . . 5692 1 712 . 1 1 63 63 PHE CB C 13 39.36 0.2 . 1 . . . . . . . . 5692 1 713 . 1 1 63 63 PHE CD1 C 13 131.83 0.2 . 1 . . . . . . . . 5692 1 714 . 1 1 63 63 PHE CD2 C 13 131.83 0.2 . 1 . . . . . . . . 5692 1 715 . 1 1 63 63 PHE CE1 C 13 130.43 0.2 . 1 . . . . . . . . 5692 1 716 . 1 1 63 63 PHE CE2 C 13 130.43 0.2 . 1 . . . . . . . . 5692 1 717 . 1 1 63 63 PHE CZ C 13 129.06 0.2 . 1 . . . . . . . . 5692 1 718 . 1 1 63 63 PHE N N 15 118.19 0.2 . 1 . . . . . . . . 5692 1 719 . 1 1 64 64 GLY H H 1 7.67 0.02 . 1 . . . . . . . . 5692 1 720 . 1 1 64 64 GLY HA2 H 1 3.94 0.02 . 1 . . . . . . . . 5692 1 721 . 1 1 64 64 GLY HA3 H 1 3.94 0.02 . 1 . . . . . . . . 5692 1 722 . 1 1 64 64 GLY CA C 13 45.66 0.2 . 1 . . . . . . . . 5692 1 723 . 1 1 64 64 GLY N N 15 111.30 0.2 . 1 . . . . . . . . 5692 1 724 . 1 1 65 65 ASP H H 1 8.27 0.02 . 1 . . . . . . . . 5692 1 725 . 1 1 65 65 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 5692 1 726 . 1 1 65 65 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5692 1 727 . 1 1 65 65 ASP HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5692 1 728 . 1 1 65 65 ASP CA C 13 53.96 0.2 . 1 . . . . . . . . 5692 1 729 . 1 1 65 65 ASP CB C 13 40.71 0.2 . 1 . . . . . . . . 5692 1 730 . 1 1 65 65 ASP N N 15 122.71 0.2 . 1 . . . . . . . . 5692 1 731 . 1 1 66 66 VAL H H 1 7.60 0.02 . 1 . . . . . . . . 5692 1 732 . 1 1 66 66 VAL HA H 1 4.04 0.02 . 1 . . . . . . . . 5692 1 733 . 1 1 66 66 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 5692 1 734 . 1 1 66 66 VAL HG11 H 1 0.86 0.02 . 2 . . . . . . . . 5692 1 735 . 1 1 66 66 VAL HG12 H 1 0.86 0.02 . 2 . . . . . . . . 5692 1 736 . 1 1 66 66 VAL HG13 H 1 0.86 0.02 . 2 . . . . . . . . 5692 1 737 . 1 1 66 66 VAL HG21 H 1 0.87 0.02 . 2 . . . . . . . . 5692 1 738 . 1 1 66 66 VAL HG22 H 1 0.87 0.02 . 2 . . . . . . . . 5692 1 739 . 1 1 66 66 VAL HG23 H 1 0.87 0.02 . 2 . . . . . . . . 5692 1 740 . 1 1 66 66 VAL CA C 13 63.39 0.2 . 1 . . . . . . . . 5692 1 741 . 1 1 66 66 VAL CB C 13 33.18 0.2 . 1 . . . . . . . . 5692 1 742 . 1 1 66 66 VAL CG1 C 13 20.08 0.2 . 2 . . . . . . . . 5692 1 743 . 1 1 66 66 VAL CG2 C 13 21.37 0.2 . 2 . . . . . . . . 5692 1 744 . 1 1 66 66 VAL N N 15 125.39 0.2 . 1 . . . . . . . . 5692 1 stop_ save_