data_4892 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4892 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for apo-Mts1 (S100A4) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-11-03 _Entry.Accession_date 2000-11-03 _Entry.Last_release_date 2001-04-27 _Entry.Original_release_date 2001-04-27 _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 Richard Rustandi . R. . 4892 2 Kristen Vallely . M. . 4892 3 Olga Varlamova . . . 4892 4 Michael Klein . G. . 4892 5 Steven Almo . C. . 4892 6 Anne Bresnick . R. . 4892 7 David Weber . J. . 4892 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4892 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 425 4892 '13C chemical shifts' 244 4892 '15N chemical shifts' 85 4892 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 . . 2001-04-27 2000-11-03 original author . 4892 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4892 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N NMR sequence-specific resonance assignments for human apo-Mts1 (S100A4) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 4 _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 381 _Citation.Page_last 382 _Citation.Year 2001 _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 Richard Rustandi . R. . 4892 1 2 Kristen Vallely . M. . 4892 1 3 Olga Varlamova . . . 4892 1 4 Michael Klein . G. . 4892 1 5 Steven Almo . C. . 4892 1 6 Anne Bresnick . R. . 4892 1 7 David Weber . J. . 4892 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Mts1 4892 1 S100A4 4892 1 'NMR spectroscopy' 4892 1 'sequence-specific assignments' 4892 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_S100A4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_S100A4 _Assembly.Entry_ID 4892 _Assembly.ID 1 _Assembly.Name 'S100A4 dimer' _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 free' _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 dimer 4892 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 'S100A4 subunit 1' 1 $S100A4 . . . native . . 1 . . 4892 1 2 'S100A4 subunit 2' 1 $S100A4 . . . native . . 1 . . 4892 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'S100A4 dimer' system 4892 1 S100A4 abbreviation 4892 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100A4 _Entity.Sf_category entity _Entity.Sf_framecode S100A4 _Entity.Entry_ID 4892 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100A4 _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 ; MACPLEKALDVMVSTFHKYS GKEGDKFKLNKSELKELLTR ELPSFLGKRTDEAAFQKLMS NLDSNRDNEVDFQEYCVFLS CIAMMCNEFFEGFPDKQPRK K ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18169 . entity_2 . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 2 no PDB 1M31 . "Three-Dimensional Solution Structure Of Apo-Mts1" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 3 no PDB 2LNK . "Solution Structure Of Ca-Bound S100a4 In Complex With Non-Muscle Myosin Iia" . . . . . 100.00 113 100.00 100.00 5.24e-67 . . . . 4892 1 4 no PDB 2Q91 . "Structure Of The Ca2+-Bound Activated Form Of The S100a4 Metastasis Factor" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 5 no PDB 3C1V . "The 1.5 A Crystal Structure Of Ca2+-Bound S100a4" . . . . . 100.00 113 100.00 100.00 5.24e-67 . . . . 4892 1 6 no PDB 3CGA . "Crystal Structure Of Metastasis-Associated Protein S100a4 In The Active, Calcium-Bound Form" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 7 no PDB 3KO0 . "Structure Of The Tfp-Ca2+-Bound Activated Form Of The S100a4 Metastasis Factor" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 8 no PDB 3M0W . "Structure Of S100a4 With Pcp" . . . . . 99.01 100 100.00 100.00 9.36e-66 . . . . 4892 1 9 no PDB 4ETO . "Structure Of S100a4 In Complex With Non-Muscle Myosin-Iia Peptide" . . . . . 92.08 93 100.00 100.00 3.98e-60 . . . . 4892 1 10 no PDB 4HSZ . "Structure Of Truncated (delta8c) S100a4" . . . . . 92.08 93 100.00 100.00 3.98e-60 . . . . 4892 1 11 no DBJ BAF84772 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 12 no DBJ BAG74210 . "S100 calcium binding protein A4 [synthetic construct]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 13 no EMBL CAA79474 . "CAPL [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 14 no EMBL CAA83880 . "mts1 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 15 no EMBL CAG29341 . "S100A4 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 16 no GB AAA51920 . "CAPL [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 17 no GB AAH00838 . "S100 calcium binding protein A4 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 18 no GB AAH16300 . "S100 calcium binding protein A4 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 19 no GB AAV74399 . "leukemia multidrug resistance associated protein [Homo sapiens]" . . . . . 80.20 91 97.53 97.53 2.39e-48 . . . . 4892 1 20 no GB AAX29777 . "S100 calcium binding protein A4 [synthetic construct]" . . . . . 100.00 102 100.00 100.00 1.32e-66 . . . . 4892 1 21 no REF NP_001239534 . "uncharacterized protein LOC100156358 [Sus scrofa]" . . . . . 100.00 101 99.01 99.01 2.78e-65 . . . . 4892 1 22 no REF NP_002952 . "protein S100-A4 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 23 no REF NP_062427 . "protein S100-A4 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 24 no REF XP_001110635 . "PREDICTED: protein S100-A4 isoform 1 [Macaca mulatta]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 25 no REF XP_001110673 . "PREDICTED: protein S100-A4 isoform 2 [Macaca mulatta]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 26 no SP P26447 . "RecName: Full=Protein S100-A4; AltName: Full=Calvasculin; AltName: Full=Metastasin; AltName: Full=Placental calcium-binding pro" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 4892 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID S100A4 common 4892 1 S100A4 abbreviation 4892 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 . MET . 4892 1 2 . ALA . 4892 1 3 . CYS . 4892 1 4 . PRO . 4892 1 5 . LEU . 4892 1 6 . GLU . 4892 1 7 . LYS . 4892 1 8 . ALA . 4892 1 9 . LEU . 4892 1 10 . ASP . 4892 1 11 . VAL . 4892 1 12 . MET . 4892 1 13 . VAL . 4892 1 14 . SER . 4892 1 15 . THR . 4892 1 16 . PHE . 4892 1 17 . HIS . 4892 1 18 . LYS . 4892 1 19 . TYR . 4892 1 20 . SER . 4892 1 21 . GLY . 4892 1 22 . LYS . 4892 1 23 . GLU . 4892 1 24 . GLY . 4892 1 25 . ASP . 4892 1 26 . LYS . 4892 1 27 . PHE . 4892 1 28 . LYS . 4892 1 29 . LEU . 4892 1 30 . ASN . 4892 1 31 . LYS . 4892 1 32 . SER . 4892 1 33 . GLU . 4892 1 34 . LEU . 4892 1 35 . LYS . 4892 1 36 . GLU . 4892 1 37 . LEU . 4892 1 38 . LEU . 4892 1 39 . THR . 4892 1 40 . ARG . 4892 1 41 . GLU . 4892 1 42 . LEU . 4892 1 43 . PRO . 4892 1 44 . SER . 4892 1 45 . PHE . 4892 1 46 . LEU . 4892 1 47 . GLY . 4892 1 48 . LYS . 4892 1 49 . ARG . 4892 1 50 . THR . 4892 1 51 . ASP . 4892 1 52 . GLU . 4892 1 53 . ALA . 4892 1 54 . ALA . 4892 1 55 . PHE . 4892 1 56 . GLN . 4892 1 57 . LYS . 4892 1 58 . LEU . 4892 1 59 . MET . 4892 1 60 . SER . 4892 1 61 . ASN . 4892 1 62 . LEU . 4892 1 63 . ASP . 4892 1 64 . SER . 4892 1 65 . ASN . 4892 1 66 . ARG . 4892 1 67 . ASP . 4892 1 68 . ASN . 4892 1 69 . GLU . 4892 1 70 . VAL . 4892 1 71 . ASP . 4892 1 72 . PHE . 4892 1 73 . GLN . 4892 1 74 . GLU . 4892 1 75 . TYR . 4892 1 76 . CYS . 4892 1 77 . VAL . 4892 1 78 . PHE . 4892 1 79 . LEU . 4892 1 80 . SER . 4892 1 81 . CYS . 4892 1 82 . ILE . 4892 1 83 . ALA . 4892 1 84 . MET . 4892 1 85 . MET . 4892 1 86 . CYS . 4892 1 87 . ASN . 4892 1 88 . GLU . 4892 1 89 . PHE . 4892 1 90 . PHE . 4892 1 91 . GLU . 4892 1 92 . GLY . 4892 1 93 . PHE . 4892 1 94 . PRO . 4892 1 95 . ASP . 4892 1 96 . LYS . 4892 1 97 . GLN . 4892 1 98 . PRO . 4892 1 99 . ARG . 4892 1 100 . LYS . 4892 1 101 . LYS . 4892 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 . MET 1 1 4892 1 . ALA 2 2 4892 1 . CYS 3 3 4892 1 . PRO 4 4 4892 1 . LEU 5 5 4892 1 . GLU 6 6 4892 1 . LYS 7 7 4892 1 . ALA 8 8 4892 1 . LEU 9 9 4892 1 . ASP 10 10 4892 1 . VAL 11 11 4892 1 . MET 12 12 4892 1 . VAL 13 13 4892 1 . SER 14 14 4892 1 . THR 15 15 4892 1 . PHE 16 16 4892 1 . HIS 17 17 4892 1 . LYS 18 18 4892 1 . TYR 19 19 4892 1 . SER 20 20 4892 1 . GLY 21 21 4892 1 . LYS 22 22 4892 1 . GLU 23 23 4892 1 . GLY 24 24 4892 1 . ASP 25 25 4892 1 . LYS 26 26 4892 1 . PHE 27 27 4892 1 . LYS 28 28 4892 1 . LEU 29 29 4892 1 . ASN 30 30 4892 1 . LYS 31 31 4892 1 . SER 32 32 4892 1 . GLU 33 33 4892 1 . LEU 34 34 4892 1 . LYS 35 35 4892 1 . GLU 36 36 4892 1 . LEU 37 37 4892 1 . LEU 38 38 4892 1 . THR 39 39 4892 1 . ARG 40 40 4892 1 . GLU 41 41 4892 1 . LEU 42 42 4892 1 . PRO 43 43 4892 1 . SER 44 44 4892 1 . PHE 45 45 4892 1 . LEU 46 46 4892 1 . GLY 47 47 4892 1 . LYS 48 48 4892 1 . ARG 49 49 4892 1 . THR 50 50 4892 1 . ASP 51 51 4892 1 . GLU 52 52 4892 1 . ALA 53 53 4892 1 . ALA 54 54 4892 1 . PHE 55 55 4892 1 . GLN 56 56 4892 1 . LYS 57 57 4892 1 . LEU 58 58 4892 1 . MET 59 59 4892 1 . SER 60 60 4892 1 . ASN 61 61 4892 1 . LEU 62 62 4892 1 . ASP 63 63 4892 1 . SER 64 64 4892 1 . ASN 65 65 4892 1 . ARG 66 66 4892 1 . ASP 67 67 4892 1 . ASN 68 68 4892 1 . GLU 69 69 4892 1 . VAL 70 70 4892 1 . ASP 71 71 4892 1 . PHE 72 72 4892 1 . GLN 73 73 4892 1 . GLU 74 74 4892 1 . TYR 75 75 4892 1 . CYS 76 76 4892 1 . VAL 77 77 4892 1 . PHE 78 78 4892 1 . LEU 79 79 4892 1 . SER 80 80 4892 1 . CYS 81 81 4892 1 . ILE 82 82 4892 1 . ALA 83 83 4892 1 . MET 84 84 4892 1 . MET 85 85 4892 1 . CYS 86 86 4892 1 . ASN 87 87 4892 1 . GLU 88 88 4892 1 . PHE 89 89 4892 1 . PHE 90 90 4892 1 . GLU 91 91 4892 1 . GLY 92 92 4892 1 . PHE 93 93 4892 1 . PRO 94 94 4892 1 . ASP 95 95 4892 1 . LYS 96 96 4892 1 . GLN 97 97 4892 1 . PRO 98 98 4892 1 . ARG 99 99 4892 1 . LYS 100 100 4892 1 . LYS 101 101 4892 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 4892 _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 $S100A4 . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4892 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 4892 _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 $S100A4 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4892 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4892 _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 S100A4 '[U-13C; U-15N]' . . 1 $S100A4 . . 3 . . mM . . . . 4892 1 stop_ save_ ####################### # Sample conditions # ####################### save_S100A4-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode S100A4-cond_1 _Sample_condition_list.Entry_ID 4892 _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 6.5 0.2 n/a 4892 1 temperature 310 0.05 K 4892 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 4892 _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 4892 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4892 _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 Bruker DMX . 600 . . . 4892 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 4892 _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 '2D 1H,15N-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4892 1 2 '3D 15N-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4892 1 3 '3D 15N-edited HOHAHA-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4892 1 4 '3D 15N,15N-edited HMQC-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4892 1 5 '3D 15N HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4892 1 6 '3D CCONH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4892 1 7 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4892 1 8 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4892 1 9 '4D 13C,15N-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4892 1 10 '4D 13C,13C-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4892 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 4892 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4892 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-edited NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ 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 4892 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 15N-edited HOHAHA-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4892 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 15N,15N-edited HMQC-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ 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 4892 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 15N 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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4892 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D CCONH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4892 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4892 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4892 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '4D 13C,15N-edited NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4892 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '4D 13C,13C-edited NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4892 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4892 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4892 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4892 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_s100 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode s100 _Assigned_chem_shift_list.Entry_ID 4892 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $S100A4-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4892 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 4 4 PRO HA H 1 4.31 . . . . . . . . . . . 4892 1 2 . 1 1 4 4 PRO HB2 H 1 2.53 . . . . . . . . . . . 4892 1 3 . 1 1 4 4 PRO HB3 H 1 2.07 . . . . . . . . . . . 4892 1 4 . 1 1 4 4 PRO HG2 H 1 2.33 . . . . . . . . . . . 4892 1 5 . 1 1 4 4 PRO HG3 H 1 2.18 . . . . . . . . . . . 4892 1 6 . 1 1 4 4 PRO HD2 H 1 4.02 . . . . . . . . . . . 4892 1 7 . 1 1 4 4 PRO HD3 H 1 4.02 . . . . . . . . . . . 4892 1 8 . 1 1 4 4 PRO CA C 13 66.79 . . . . . . . . . . . 4892 1 9 . 1 1 4 4 PRO CB C 13 32.69 . . . . . . . . . . . 4892 1 10 . 1 1 4 4 PRO CG C 13 27.53 . . . . . . . . . . . 4892 1 11 . 1 1 4 4 PRO CD C 13 50.85 . . . . . . . . . . . 4892 1 12 . 1 1 5 5 LEU H H 1 10.13 . . . . . . . . . . . 4892 1 13 . 1 1 5 5 LEU N N 15 121.02 . . . . . . . . . . . 4892 1 14 . 1 1 5 5 LEU HA H 1 4.14 . . . . . . . . . . . 4892 1 15 . 1 1 5 5 LEU CA C 13 57.09 . . . . . . . . . . . 4892 1 16 . 1 1 5 5 LEU HB2 H 1 1.99 . . . . . . . . . . . 4892 1 17 . 1 1 5 5 LEU HB3 H 1 1.52 . . . . . . . . . . . 4892 1 18 . 1 1 5 5 LEU CB C 13 42.32 . . . . . . . . . . . 4892 1 19 . 1 1 5 5 LEU CG C 13 26.13 . . . . . . . . . . . 4892 1 20 . 1 1 5 5 LEU HD11 H 1 0.86 . . . . . . . . . . . 4892 1 21 . 1 1 5 5 LEU HD12 H 1 0.86 . . . . . . . . . . . 4892 1 22 . 1 1 5 5 LEU HD13 H 1 0.86 . . . . . . . . . . . 4892 1 23 . 1 1 5 5 LEU HD21 H 1 0.67 . . . . . . . . . . . 4892 1 24 . 1 1 5 5 LEU HD22 H 1 0.67 . . . . . . . . . . . 4892 1 25 . 1 1 5 5 LEU HD23 H 1 0.67 . . . . . . . . . . . 4892 1 26 . 1 1 5 5 LEU CD1 C 13 27.18 . . . . . . . . . . . 4892 1 27 . 1 1 5 5 LEU CD2 C 13 23.31 . . . . . . . . . . . 4892 1 28 . 1 1 6 6 GLU N N 15 117.66 . . . . . . . . . . . 4892 1 29 . 1 1 6 6 GLU HA H 1 3.51 . . . . . . . . . . . 4892 1 30 . 1 1 6 6 GLU CA C 13 59.43 . . . . . . . . . . . 4892 1 31 . 1 1 6 6 GLU HB2 H 1 2.36 . . . . . . . . . . . 4892 1 32 . 1 1 6 6 GLU HB3 H 1 1.80 . . . . . . . . . . . 4892 1 33 . 1 1 6 6 GLU CB C 13 29.43 . . . . . . . . . . . 4892 1 34 . 1 1 6 6 GLU HG2 H 1 2.67 . . . . . . . . . . . 4892 1 35 . 1 1 6 6 GLU HG3 H 1 1.56 . . . . . . . . . . . 4892 1 36 . 1 1 6 6 GLU CG C 13 38.55 . . . . . . . . . . . 4892 1 37 . 1 1 7 7 LYS N N 15 118.05 . . . . . . . . . . . 4892 1 38 . 1 1 7 7 LYS HA H 1 4.19 . . . . . . . . . . . 4892 1 39 . 1 1 7 7 LYS CA C 13 58.96 . . . . . . . . . . . 4892 1 40 . 1 1 7 7 LYS HB2 H 1 1.96 . . . . . . . . . . . 4892 1 41 . 1 1 7 7 LYS HB3 H 1 1.54 . . . . . . . . . . . 4892 1 42 . 1 1 7 7 LYS CB C 13 32.01 . . . . . . . . . . . 4892 1 43 . 1 1 7 7 LYS HG2 H 1 1.56 . . . . . . . . . . . 4892 1 44 . 1 1 7 7 LYS CG C 13 25.10 . . . . . . . . . . . 4892 1 45 . 1 1 7 7 LYS HD2 H 1 1.77 . . . . . . . . . . . 4892 1 46 . 1 1 7 7 LYS CD C 13 29.03 . . . . . . . . . . . 4892 1 47 . 1 1 7 7 LYS HE2 H 1 3.04 . . . . . . . . . . . 4892 1 48 . 1 1 7 7 LYS CE C 13 42.30 . . . . . . . . . . . 4892 1 49 . 1 1 8 8 ALA N N 15 121.09 . . . . . . . . . . . 4892 1 50 . 1 1 8 8 ALA HA H 1 4.17 . . . . . . . . . . . 4892 1 51 . 1 1 8 8 ALA CA C 13 55.45 . . . . . . . . . . . 4892 1 52 . 1 1 8 8 ALA CB C 13 18.42 . . . . . . . . . . . 4892 1 53 . 1 1 9 9 LEU N N 15 118.98 . . . . . . . . . . . 4892 1 54 . 1 1 9 9 LEU HA H 1 4.24 . . . . . . . . . . . 4892 1 55 . 1 1 9 9 LEU CA C 13 58.49 . . . . . . . . . . . 4892 1 56 . 1 1 9 9 LEU HB2 H 1 2.01 . . . . . . . . . . . 4892 1 57 . 1 1 9 9 LEU HB3 H 1 1.63 . . . . . . . . . . . 4892 1 58 . 1 1 9 9 LEU CB C 13 41.62 . . . . . . . . . . . 4892 1 59 . 1 1 9 9 LEU HG H 1 2.06 . . . . . . . . . . . 4892 1 60 . 1 1 9 9 LEU CG C 13 28.23 . . . . . . . . . . . 4892 1 61 . 1 1 9 9 LEU HD11 H 1 0.91 . . . . . . . . . . . 4892 1 62 . 1 1 9 9 LEU HD12 H 1 0.91 . . . . . . . . . . . 4892 1 63 . 1 1 9 9 LEU HD13 H 1 0.91 . . . . . . . . . . . 4892 1 64 . 1 1 9 9 LEU HD21 H 1 1.00 . . . . . . . . . . . 4892 1 65 . 1 1 9 9 LEU HD22 H 1 1.00 . . . . . . . . . . . 4892 1 66 . 1 1 9 9 LEU HD23 H 1 1.00 . . . . . . . . . . . 4892 1 67 . 1 1 9 9 LEU CD1 C 13 25.77 . . . . . . . . . . . 4892 1 68 . 1 1 9 9 LEU CD2 C 13 23.55 . . . . . . . . . . . 4892 1 69 . 1 1 10 10 ASP N N 15 121.56 . . . . . . . . . . . 4892 1 70 . 1 1 10 10 ASP HA H 1 4.54 . . . . . . . . . . . 4892 1 71 . 1 1 10 10 ASP CA C 13 58.49 . . . . . . . . . . . 4892 1 72 . 1 1 10 10 ASP HB2 H 1 3.04 . . . . . . . . . . . 4892 1 73 . 1 1 10 10 ASP HB3 H 1 2.85 . . . . . . . . . . . 4892 1 74 . 1 1 10 10 ASP CB C 13 40.68 . . . . . . . . . . . 4892 1 75 . 1 1 11 11 VAL N N 15 122.66 . . . . . . . . . . . 4892 1 76 . 1 1 11 11 VAL HA H 1 3.95 . . . . . . . . . . . 4892 1 77 . 1 1 11 11 VAL CA C 13 66.46 . . . . . . . . . . . 4892 1 78 . 1 1 11 11 VAL CB C 13 31.78 . . . . . . . . . . . 4892 1 79 . 1 1 11 11 VAL HG11 H 1 1.21 . . . . . . . . . . . 4892 1 80 . 1 1 11 11 VAL HG12 H 1 1.21 . . . . . . . . . . . 4892 1 81 . 1 1 11 11 VAL HG13 H 1 1.21 . . . . . . . . . . . 4892 1 82 . 1 1 11 11 VAL HG21 H 1 0.84 . . . . . . . . . . . 4892 1 83 . 1 1 11 11 VAL HG22 H 1 0.84 . . . . . . . . . . . 4892 1 84 . 1 1 11 11 VAL HG23 H 1 0.84 . . . . . . . . . . . 4892 1 85 . 1 1 11 11 VAL CG1 C 13 23.31 . . . . . . . . . . . 4892 1 86 . 1 1 11 11 VAL CG2 C 13 21.44 . . . . . . . . . . . 4892 1 87 . 1 1 12 12 MET HA H 1 4.14 . . . . . . . . . . . 4892 1 88 . 1 1 12 12 MET CA C 13 60.84 . . . . . . . . . . . 4892 1 89 . 1 1 12 12 MET HB2 H 1 2.64 . . . . . . . . . . . 4892 1 90 . 1 1 12 12 MET HB3 H 1 2.45 . . . . . . . . . . . 4892 1 91 . 1 1 12 12 MET CB C 13 32.33 . . . . . . . . . . . 4892 1 92 . 1 1 12 12 MET HG2 H 1 2.69 . . . . . . . . . . . 4892 1 93 . 1 1 12 12 MET HG3 H 1 2.55 . . . . . . . . . . . 4892 1 94 . 1 1 12 12 MET CG C 13 32.80 . . . . . . . . . . . 4892 1 95 . 1 1 12 12 MET HE1 H 1 1.63 . . . . . . . . . . . 4892 1 96 . 1 1 12 12 MET HE2 H 1 1.63 . . . . . . . . . . . 4892 1 97 . 1 1 12 12 MET HE3 H 1 1.63 . . . . . . . . . . . 4892 1 98 . 1 1 12 12 MET CE C 13 18.27 . . . . . . . . . . . 4892 1 99 . 1 1 13 13 VAL N N 15 121.25 . . . . . . . . . . . 4892 1 100 . 1 1 13 13 VAL HA H 1 3.86 . . . . . . . . . . . 4892 1 101 . 1 1 13 13 VAL CA C 13 67.40 . . . . . . . . . . . 4892 1 102 . 1 1 13 13 VAL CB C 13 32.48 . . . . . . . . . . . 4892 1 103 . 1 1 13 13 VAL HG11 H 1 1.12 . . . . . . . . . . . 4892 1 104 . 1 1 13 13 VAL HG12 H 1 1.12 . . . . . . . . . . . 4892 1 105 . 1 1 13 13 VAL HG13 H 1 1.12 . . . . . . . . . . . 4892 1 106 . 1 1 13 13 VAL HG21 H 1 0.63 . . . . . . . . . . . 4892 1 107 . 1 1 13 13 VAL HG22 H 1 0.63 . . . . . . . . . . . 4892 1 108 . 1 1 13 13 VAL HG23 H 1 0.63 . . . . . . . . . . . 4892 1 109 . 1 1 13 13 VAL CG1 C 13 23.55 . . . . . . . . . . . 4892 1 110 . 1 1 13 13 VAL CG2 C 13 21.79 . . . . . . . . . . . 4892 1 111 . 1 1 14 14 SER N N 15 116.64 . . . . . . . . . . . 4892 1 112 . 1 1 14 14 SER HA H 1 3.98 . . . . . . . . . . . 4892 1 113 . 1 1 14 14 SER CA C 13 61.78 . . . . . . . . . . . 4892 1 114 . 1 1 14 14 SER CB C 13 61.78 . . . . . . . . . . . 4892 1 115 . 1 1 15 15 THR N N 15 118.67 . . . . . . . . . . . 4892 1 116 . 1 1 15 15 THR HA H 1 3.98 . . . . . . . . . . . 4892 1 117 . 1 1 15 15 THR CA C 13 67.87 . . . . . . . . . . . 4892 1 118 . 1 1 15 15 THR HG21 H 1 1.56 . . . . . . . . . . . 4892 1 119 . 1 1 15 15 THR HG22 H 1 1.56 . . . . . . . . . . . 4892 1 120 . 1 1 15 15 THR HG23 H 1 1.56 . . . . . . . . . . . 4892 1 121 . 1 1 15 15 THR CG2 C 13 22.38 . . . . . . . . . . . 4892 1 122 . 1 1 16 16 PHE N N 15 122.19 . . . . . . . . . . . 4892 1 123 . 1 1 16 16 PHE HA H 1 3.72 . . . . . . . . . . . 4892 1 124 . 1 1 16 16 PHE CA C 13 62.48 . . . . . . . . . . . 4892 1 125 . 1 1 16 16 PHE HB2 H 1 3.44 . . . . . . . . . . . 4892 1 126 . 1 1 16 16 PHE HB3 H 1 2.95 . . . . . . . . . . . 4892 1 127 . 1 1 16 16 PHE CB C 13 39.28 . . . . . . . . . . . 4892 1 128 . 1 1 17 17 HIS N N 15 117.42 . . . . . . . . . . . 4892 1 129 . 1 1 17 17 HIS HA H 1 4.96 . . . . . . . . . . . 4892 1 130 . 1 1 17 17 HIS CA C 13 55.92 . . . . . . . . . . . 4892 1 131 . 1 1 17 17 HIS HB2 H 1 2.76 . . . . . . . . . . . 4892 1 132 . 1 1 17 17 HIS HB3 H 1 2.41 . . . . . . . . . . . 4892 1 133 . 1 1 17 17 HIS CB C 13 30.14 . . . . . . . . . . . 4892 1 134 . 1 1 18 18 LYS N N 15 121.64 . . . . . . . . . . . 4892 1 135 . 1 1 18 18 LYS HA H 1 3.72 . . . . . . . . . . . 4892 1 136 . 1 1 18 18 LYS CA C 13 59.20 . . . . . . . . . . . 4892 1 137 . 1 1 18 18 LYS HB2 H 1 2.03 . . . . . . . . . . . 4892 1 138 . 1 1 18 18 LYS HB3 H 1 1.89 . . . . . . . . . . . 4892 1 139 . 1 1 18 18 LYS CB C 13 32.24 . . . . . . . . . . . 4892 1 140 . 1 1 18 18 LYS HG2 H 1 1.28 . . . . . . . . . . . 4892 1 141 . 1 1 18 18 LYS HG3 H 1 0.72 . . . . . . . . . . . 4892 1 142 . 1 1 18 18 LYS CG C 13 24.60 . . . . . . . . . . . 4892 1 143 . 1 1 18 18 LYS HD2 H 1 1.61 . . . . . . . . . . . 4892 1 144 . 1 1 18 18 LYS CD C 13 30.46 . . . . . . . . . . . 4892 1 145 . 1 1 18 18 LYS HE2 H 1 2.69 . . . . . . . . . . . 4892 1 146 . 1 1 18 18 LYS CE C 13 41.48 . . . . . . . . . . . 4892 1 147 . 1 1 19 19 TYR N N 15 114.53 . . . . . . . . . . . 4892 1 148 . 1 1 19 19 TYR HA H 1 4.28 . . . . . . . . . . . 4892 1 149 . 1 1 19 19 TYR CA C 13 59.43 . . . . . . . . . . . 4892 1 150 . 1 1 19 19 TYR HB2 H 1 2.88 . . . . . . . . . . . 4892 1 151 . 1 1 19 19 TYR HB3 H 1 2.55 . . . . . . . . . . . 4892 1 152 . 1 1 19 19 TYR CB C 13 40.45 . . . . . . . . . . . 4892 1 153 . 1 1 19 19 TYR HD1 H 1 7.56 . . . . . . . . . . . 4892 1 154 . 1 1 19 19 TYR CD1 C 13 134.48 . . . . . . . . . . . 4892 1 155 . 1 1 19 19 TYR HE1 H 1 6.77 . . . . . . . . . . . 4892 1 156 . 1 1 20 20 SER N N 15 120.94 . . . . . . . . . . . 4892 1 157 . 1 1 20 20 SER HA H 1 4.12 . . . . . . . . . . . 4892 1 158 . 1 1 20 20 SER CA C 13 58.35 . . . . . . . . . . . 4892 1 159 . 1 1 21 21 GLY N N 15 107.58 . . . . . . . . . . . 4892 1 160 . 1 1 21 21 GLY HA2 H 1 3.98 . . . . . . . . . . . 4892 1 161 . 1 1 21 21 GLY HA3 H 1 3.74 . . . . . . . . . . . 4892 1 162 . 1 1 21 21 GLY CA C 13 45.60 . . . . . . . . . . . 4892 1 163 . 1 1 22 22 LYS HA H 1 4.00 . . . . . . . . . . . 4892 1 164 . 1 1 22 22 LYS CA C 13 58.96 . . . . . . . . . . . 4892 1 165 . 1 1 22 22 LYS CB C 13 32.95 . . . . . . . . . . . 4892 1 166 . 1 1 22 22 LYS HG2 H 1 1.56 . . . . . . . . . . . 4892 1 167 . 1 1 22 22 LYS HG3 H 1 1.35 . . . . . . . . . . . 4892 1 168 . 1 1 22 22 LYS CG C 13 24.98 . . . . . . . . . . . 4892 1 169 . 1 1 22 22 LYS HD2 H 1 1.78 . . . . . . . . . . . 4892 1 170 . 1 1 22 22 LYS CD C 13 29.10 . . . . . . . . . . . 4892 1 171 . 1 1 23 23 GLU N N 15 116.80 . . . . . . . . . . . 4892 1 172 . 1 1 23 23 GLU HA H 1 4.52 . . . . . . . . . . . 4892 1 173 . 1 1 23 23 GLU CA C 13 55.21 . . . . . . . . . . . 4892 1 174 . 1 1 23 23 GLU HB2 H 1 2.17 . . . . . . . . . . . 4892 1 175 . 1 1 23 23 GLU HB3 H 1 1.92 . . . . . . . . . . . 4892 1 176 . 1 1 23 23 GLU CB C 13 32.01 . . . . . . . . . . . 4892 1 177 . 1 1 23 23 GLU HG2 H 1 2.27 . . . . . . . . . . . 4892 1 178 . 1 1 23 23 GLU HG3 H 1 2.06 . . . . . . . . . . . 4892 1 179 . 1 1 23 23 GLU CG C 13 35.85 . . . . . . . . . . . 4892 1 180 . 1 1 24 24 GLY N N 15 109.37 . . . . . . . . . . . 4892 1 181 . 1 1 24 24 GLY HA2 H 1 3.98 . . . . . . . . . . . 4892 1 182 . 1 1 24 24 GLY HA3 H 1 3.74 . . . . . . . . . . . 4892 1 183 . 1 1 24 24 GLY CA C 13 46.07 . . . . . . . . . . . 4892 1 184 . 1 1 25 25 ASP N N 15 125.63 . . . . . . . . . . . 4892 1 185 . 1 1 25 25 ASP HA H 1 4.56 . . . . . . . . . . . 4892 1 186 . 1 1 25 25 ASP CA C 13 54.28 . . . . . . . . . . . 4892 1 187 . 1 1 25 25 ASP HB2 H 1 2.81 . . . . . . . . . . . 4892 1 188 . 1 1 25 25 ASP HB3 H 1 2.67 . . . . . . . . . . . 4892 1 189 . 1 1 25 25 ASP CB C 13 42.56 . . . . . . . . . . . 4892 1 190 . 1 1 26 26 LYS N N 15 126.64 . . . . . . . . . . . 4892 1 191 . 1 1 26 26 LYS HA H 1 4.26 . . . . . . . . . . . 4892 1 192 . 1 1 26 26 LYS CA C 13 57.56 . . . . . . . . . . . 4892 1 193 . 1 1 26 26 LYS CB C 13 31.78 . . . . . . . . . . . 4892 1 194 . 1 1 26 26 LYS HG2 H 1 0.93 . . . . . . . . . . . 4892 1 195 . 1 1 26 26 LYS HE2 H 1 2.48 . . . . . . . . . . . 4892 1 196 . 1 1 26 26 LYS CE C 13 42.18 . . . . . . . . . . . 4892 1 197 . 1 1 27 27 PHE N N 15 118.36 . . . . . . . . . . . 4892 1 198 . 1 1 27 27 PHE HA H 1 5.03 . . . . . . . . . . . 4892 1 199 . 1 1 27 27 PHE CA C 13 57.32 . . . . . . . . . . . 4892 1 200 . 1 1 27 27 PHE HB2 H 1 3.35 . . . . . . . . . . . 4892 1 201 . 1 1 27 27 PHE HB3 H 1 3.16 . . . . . . . . . . . 4892 1 202 . 1 1 27 27 PHE CB C 13 39.04 . . . . . . . . . . . 4892 1 203 . 1 1 27 27 PHE HD1 H 1 7.26 . . . . . . . . . . . 4892 1 204 . 1 1 27 27 PHE HE1 H 1 6.85 . . . . . . . . . . . 4892 1 205 . 1 1 28 28 LYS N N 15 117.89 . . . . . . . . . . . 4892 1 206 . 1 1 28 28 LYS HA H 1 5.38 . . . . . . . . . . . 4892 1 207 . 1 1 28 28 LYS CA C 13 54.51 . . . . . . . . . . . 4892 1 208 . 1 1 28 28 LYS CB C 13 37.64 . . . . . . . . . . . 4892 1 209 . 1 1 28 28 LYS HG2 H 1 1.63 . . . . . . . . . . . 4892 1 210 . 1 1 28 28 LYS HG3 H 1 1.35 . . . . . . . . . . . 4892 1 211 . 1 1 28 28 LYS HD2 H 1 1.85 . . . . . . . . . . . 4892 1 212 . 1 1 28 28 LYS HD3 H 1 1.63 . . . . . . . . . . . 4892 1 213 . 1 1 28 28 LYS CD C 13 29.52 . . . . . . . . . . . 4892 1 214 . 1 1 28 28 LYS HE2 H 1 2.76 . . . . . . . . . . . 4892 1 215 . 1 1 28 28 LYS CE C 13 42.77 . . . . . . . . . . . 4892 1 216 . 1 1 29 29 LEU N N 15 120.47 . . . . . . . . . . . 4892 1 217 . 1 1 29 29 LEU HA H 1 4.85 . . . . . . . . . . . 4892 1 218 . 1 1 29 29 LEU CA C 13 53.10 . . . . . . . . . . . 4892 1 219 . 1 1 29 29 LEU HB2 H 1 1.86 . . . . . . . . . . . 4892 1 220 . 1 1 29 29 LEU HB3 H 1 1.31 . . . . . . . . . . . 4892 1 221 . 1 1 29 29 LEU HG H 1 1.35 . . . . . . . . . . . 4892 1 222 . 1 1 29 29 LEU HD11 H 1 0.65 . . . . . . . . . . . 4892 1 223 . 1 1 29 29 LEU HD12 H 1 0.65 . . . . . . . . . . . 4892 1 224 . 1 1 29 29 LEU HD13 H 1 0.65 . . . . . . . . . . . 4892 1 225 . 1 1 29 29 LEU HD21 H 1 0.51 . . . . . . . . . . . 4892 1 226 . 1 1 29 29 LEU HD22 H 1 0.51 . . . . . . . . . . . 4892 1 227 . 1 1 29 29 LEU HD23 H 1 0.51 . . . . . . . . . . . 4892 1 228 . 1 1 29 29 LEU CD1 C 13 26.95 . . . . . . . . . . . 4892 1 229 . 1 1 29 29 LEU CD2 C 13 25.35 . . . . . . . . . . . 4892 1 230 . 1 1 30 30 ASN N N 15 122.11 . . . . . . . . . . . 4892 1 231 . 1 1 30 30 ASN HA H 1 5.31 . . . . . . . . . . . 4892 1 232 . 1 1 30 30 ASN CA C 13 52.87 . . . . . . . . . . . 4892 1 233 . 1 1 30 30 ASN HB2 H 1 3.16 . . . . . . . . . . . 4892 1 234 . 1 1 30 30 ASN HB3 H 1 2.88 . . . . . . . . . . . 4892 1 235 . 1 1 30 30 ASN CB C 13 39.28 . . . . . . . . . . . 4892 1 236 . 1 1 31 31 LYS N N 15 121.88 . . . . . . . . . . . 4892 1 237 . 1 1 31 31 LYS HA H 1 3.81 . . . . . . . . . . . 4892 1 238 . 1 1 31 31 LYS CA C 13 61.54 . . . . . . . . . . . 4892 1 239 . 1 1 31 31 LYS HB2 H 1 2.01 . . . . . . . . . . . 4892 1 240 . 1 1 31 31 LYS HB3 H 1 1.92 . . . . . . . . . . . 4892 1 241 . 1 1 31 31 LYS CB C 13 32.48 . . . . . . . . . . . 4892 1 242 . 1 1 31 31 LYS HG2 H 1 1.70 . . . . . . . . . . . 4892 1 243 . 1 1 31 31 LYS HG3 H 1 1.21 . . . . . . . . . . . 4892 1 244 . 1 1 31 31 LYS HD2 H 1 1.85 . . . . . . . . . . . 4892 1 245 . 1 1 31 31 LYS CD C 13 29.99 . . . . . . . . . . . 4892 1 246 . 1 1 31 31 LYS CG C 13 27.65 . . . . . . . . . . . 4892 1 247 . 1 1 31 31 LYS CE C 13 42.18 . . . . . . . . . . . 4892 1 248 . 1 1 32 32 SER N N 15 115.70 . . . . . . . . . . . 4892 1 249 . 1 1 32 32 SER HA H 1 4.24 . . . . . . . . . . . 4892 1 250 . 1 1 32 32 SER CA C 13 61.54 . . . . . . . . . . . 4892 1 251 . 1 1 32 32 SER HB2 H 1 4.00 . . . . . . . . . . . 4892 1 252 . 1 1 32 32 SER HB3 H 1 3.84 . . . . . . . . . . . 4892 1 253 . 1 1 32 32 SER CB C 13 62.48 . . . . . . . . . . . 4892 1 254 . 1 1 33 33 GLU N N 15 124.38 . . . . . . . . . . . 4892 1 255 . 1 1 33 33 GLU HA H 1 4.26 . . . . . . . . . . . 4892 1 256 . 1 1 33 33 GLU CA C 13 58.49 . . . . . . . . . . . 4892 1 257 . 1 1 33 33 GLU HB2 H 1 2.41 . . . . . . . . . . . 4892 1 258 . 1 1 33 33 GLU HB3 H 1 2.06 . . . . . . . . . . . 4892 1 259 . 1 1 33 33 GLU HG2 H 1 2.55 . . . . . . . . . . . 4892 1 260 . 1 1 33 33 GLU HG3 H 1 2.41 . . . . . . . . . . . 4892 1 261 . 1 1 34 34 LEU N N 15 120.47 . . . . . . . . . . . 4892 1 262 . 1 1 34 34 LEU CA C 13 57.56 . . . . . . . . . . . 4892 1 263 . 1 1 34 34 LEU HB2 H 1 1.94 . . . . . . . . . . . 4892 1 264 . 1 1 34 34 LEU HB3 H 1 1.33 . . . . . . . . . . . 4892 1 265 . 1 1 34 34 LEU CB C 13 40.92 . . . . . . . . . . . 4892 1 266 . 1 1 34 34 LEU HG H 1 1.42 . . . . . . . . . . . 4892 1 267 . 1 1 34 34 LEU HD11 H 1 0.56 . . . . . . . . . . . 4892 1 268 . 1 1 34 34 LEU HD12 H 1 0.56 . . . . . . . . . . . 4892 1 269 . 1 1 34 34 LEU HD13 H 1 0.56 . . . . . . . . . . . 4892 1 270 . 1 1 34 34 LEU HD21 H 1 1.00 . . . . . . . . . . . 4892 1 271 . 1 1 34 34 LEU HD22 H 1 1.00 . . . . . . . . . . . 4892 1 272 . 1 1 34 34 LEU HD23 H 1 1.00 . . . . . . . . . . . 4892 1 273 . 1 1 34 34 LEU CD2 C 13 27.06 . . . . . . . . . . . 4892 1 274 . 1 1 34 34 LEU CD1 C 13 23.78 . . . . . . . . . . . 4892 1 275 . 1 1 35 35 LYS N N 15 118.98 . . . . . . . . . . . 4892 1 276 . 1 1 35 35 LYS HA H 1 3.72 . . . . . . . . . . . 4892 1 277 . 1 1 35 35 LYS CA C 13 60.84 . . . . . . . . . . . 4892 1 278 . 1 1 35 35 LYS HB2 H 1 2.03 . . . . . . . . . . . 4892 1 279 . 1 1 35 35 LYS HB3 H 1 1.85 . . . . . . . . . . . 4892 1 280 . 1 1 35 35 LYS CB C 13 32.24 . . . . . . . . . . . 4892 1 281 . 1 1 35 35 LYS HG2 H 1 1.49 . . . . . . . . . . . 4892 1 282 . 1 1 35 35 LYS HD3 H 1 1.70 . . . . . . . . . . . 4892 1 283 . 1 1 35 35 LYS HE2 H 1 2.92 . . . . . . . . . . . 4892 1 284 . 1 1 35 35 LYS CD C 13 29.64 . . . . . . . . . . . 4892 1 285 . 1 1 35 35 LYS CE C 13 42.18 . . . . . . . . . . . 4892 1 286 . 1 1 36 36 GLU N N 15 121.41 . . . . . . . . . . . 4892 1 287 . 1 1 36 36 GLU CA C 13 59.43 . . . . . . . . . . . 4892 1 288 . 1 1 36 36 GLU HB2 H 1 2.41 . . . . . . . . . . . 4892 1 289 . 1 1 36 36 GLU HB3 H 1 2.20 . . . . . . . . . . . 4892 1 290 . 1 1 36 36 GLU CB C 13 29.43 . . . . . . . . . . . 4892 1 291 . 1 1 36 36 GLU HG2 H 1 2.48 . . . . . . . . . . . 4892 1 292 . 1 1 36 36 GLU HG3 H 1 2.27 . . . . . . . . . . . 4892 1 293 . 1 1 37 37 LEU N N 15 122.34 . . . . . . . . . . . 4892 1 294 . 1 1 37 37 LEU HA H 1 3.20 . . . . . . . . . . . 4892 1 295 . 1 1 37 37 LEU CA C 13 59.43 . . . . . . . . . . . 4892 1 296 . 1 1 37 37 LEU HB2 H 1 0.86 . . . . . . . . . . . 4892 1 297 . 1 1 37 37 LEU HB3 H 1 1.61 . . . . . . . . . . . 4892 1 298 . 1 1 37 37 LEU CB C 13 42.09 . . . . . . . . . . . 4892 1 299 . 1 1 37 37 LEU HG H 1 1.25 . . . . . . . . . . . 4892 1 300 . 1 1 37 37 LEU HD11 H 1 0.79 . . . . . . . . . . . 4892 1 301 . 1 1 37 37 LEU HD12 H 1 0.79 . . . . . . . . . . . 4892 1 302 . 1 1 37 37 LEU HD13 H 1 0.79 . . . . . . . . . . . 4892 1 303 . 1 1 37 37 LEU HD21 H 1 0.76 . . . . . . . . . . . 4892 1 304 . 1 1 37 37 LEU HD22 H 1 0.76 . . . . . . . . . . . 4892 1 305 . 1 1 37 37 LEU HD23 H 1 0.76 . . . . . . . . . . . 4892 1 306 . 1 1 37 37 LEU CD1 C 13 28.82 . . . . . . . . . . . 4892 1 307 . 1 1 37 37 LEU CD2 C 13 23.78 . . . . . . . . . . . 4892 1 308 . 1 1 38 38 LEU N N 15 118.98 . . . . . . . . . . . 4892 1 309 . 1 1 38 38 LEU HA H 1 3.67 . . . . . . . . . . . 4892 1 310 . 1 1 38 38 LEU CA C 13 58.96 . . . . . . . . . . . 4892 1 311 . 1 1 38 38 LEU HB2 H 1 1.99 . . . . . . . . . . . 4892 1 312 . 1 1 38 38 LEU HB3 H 1 1.49 . . . . . . . . . . . 4892 1 313 . 1 1 38 38 LEU CB C 13 41.85 . . . . . . . . . . . 4892 1 314 . 1 1 38 38 LEU HG H 1 2.13 . . . . . . . . . . . 4892 1 315 . 1 1 38 38 LEU HD11 H 1 0.86 . . . . . . . . . . . 4892 1 316 . 1 1 38 38 LEU HD12 H 1 0.86 . . . . . . . . . . . 4892 1 317 . 1 1 38 38 LEU HD13 H 1 0.86 . . . . . . . . . . . 4892 1 318 . 1 1 38 38 LEU HD21 H 1 0.79 . . . . . . . . . . . 4892 1 319 . 1 1 38 38 LEU HD22 H 1 0.79 . . . . . . . . . . . 4892 1 320 . 1 1 38 38 LEU HD23 H 1 0.79 . . . . . . . . . . . 4892 1 321 . 1 1 38 38 LEU CD1 C 13 26.48 . . . . . . . . . . . 4892 1 322 . 1 1 38 38 LEU CD2 C 13 23.55 . . . . . . . . . . . 4892 1 323 . 1 1 39 39 THR N N 15 109.76 . . . . . . . . . . . 4892 1 324 . 1 1 39 39 THR HA H 1 3.86 . . . . . . . . . . . 4892 1 325 . 1 1 39 39 THR CA C 13 65.76 . . . . . . . . . . . 4892 1 326 . 1 1 39 39 THR CB C 13 69.51 . . . . . . . . . . . 4892 1 327 . 1 1 39 39 THR HG21 H 1 1.26 . . . . . . . . . . . 4892 1 328 . 1 1 39 39 THR HG22 H 1 1.26 . . . . . . . . . . . 4892 1 329 . 1 1 39 39 THR HG23 H 1 1.26 . . . . . . . . . . . 4892 1 330 . 1 1 40 40 ARG N N 15 118.75 . . . . . . . . . . . 4892 1 331 . 1 1 40 40 ARG HA H 1 4.26 . . . . . . . . . . . 4892 1 332 . 1 1 40 40 ARG CA C 13 58.12 . . . . . . . . . . . 4892 1 333 . 1 1 40 40 ARG HB2 H 1 2.10 . . . . . . . . . . . 4892 1 334 . 1 1 40 40 ARG HB3 H 1 1.92 . . . . . . . . . . . 4892 1 335 . 1 1 40 40 ARG CB C 13 31.31 . . . . . . . . . . . 4892 1 336 . 1 1 40 40 ARG HG2 H 1 1.99 . . . . . . . . . . . 4892 1 337 . 1 1 40 40 ARG HG3 H 1 1.78 . . . . . . . . . . . 4892 1 338 . 1 1 40 40 ARG HD2 H 1 3.32 . . . . . . . . . . . 4892 1 339 . 1 1 40 40 ARG CD C 13 43.59 . . . . . . . . . . . 4892 1 340 . 1 1 41 41 GLU N N 15 113.98 . . . . . . . . . . . 4892 1 341 . 1 1 41 41 GLU HA H 1 4.61 . . . . . . . . . . . 4892 1 342 . 1 1 41 41 GLU CA C 13 55.68 . . . . . . . . . . . 4892 1 343 . 1 1 41 41 GLU HB2 H 1 2.41 . . . . . . . . . . . 4892 1 344 . 1 1 41 41 GLU HB3 H 1 1.92 . . . . . . . . . . . 4892 1 345 . 1 1 41 41 GLU HG2 H 1 2.90 . . . . . . . . . . . 4892 1 346 . 1 1 41 41 GLU HG3 H 1 2.34 . . . . . . . . . . . 4892 1 347 . 1 1 42 42 LEU N N 15 117.50 . . . . . . . . . . . 4892 1 348 . 1 1 42 42 LEU HA H 1 5.15 . . . . . . . . . . . 4892 1 349 . 1 1 42 42 LEU CA C 13 52.87 . . . . . . . . . . . 4892 1 350 . 1 1 42 42 LEU HB2 H 1 2.27 . . . . . . . . . . . 4892 1 351 . 1 1 42 42 LEU HB3 H 1 1.66 . . . . . . . . . . . 4892 1 352 . 1 1 42 42 LEU CB C 13 42.56 . . . . . . . . . . . 4892 1 353 . 1 1 42 42 LEU HG H 1 1.52 . . . . . . . . . . . 4892 1 354 . 1 1 42 42 LEU HD11 H 1 0.91 . . . . . . . . . . . 4892 1 355 . 1 1 42 42 LEU HD12 H 1 0.91 . . . . . . . . . . . 4892 1 356 . 1 1 42 42 LEU HD13 H 1 0.91 . . . . . . . . . . . 4892 1 357 . 1 1 42 42 LEU HD21 H 1 0.67 . . . . . . . . . . . 4892 1 358 . 1 1 42 42 LEU HD22 H 1 0.67 . . . . . . . . . . . 4892 1 359 . 1 1 42 42 LEU HD23 H 1 0.67 . . . . . . . . . . . 4892 1 360 . 1 1 42 42 LEU CD1 C 13 25.73 . . . . . . . . . . . 4892 1 361 . 1 1 42 42 LEU CD2 C 13 24.98 . . . . . . . . . . . 4892 1 362 . 1 1 43 43 PRO HA H 1 4.45 . . . . . . . . . . . 4892 1 363 . 1 1 43 43 PRO HB2 H 1 2.33 . . . . . . . . . . . 4892 1 364 . 1 1 43 43 PRO HB3 H 1 2.03 . . . . . . . . . . . 4892 1 365 . 1 1 43 43 PRO CA C 13 66.23 . . . . . . . . . . . 4892 1 366 . 1 1 43 43 PRO CB C 13 31.13 . . . . . . . . . . . 4892 1 367 . 1 1 44 44 SER N N 15 118.12 . . . . . . . . . . . 4892 1 368 . 1 1 44 44 SER HA H 1 4.49 . . . . . . . . . . . 4892 1 369 . 1 1 44 44 SER CA C 13 60.84 . . . . . . . . . . . 4892 1 370 . 1 1 44 44 SER CB C 13 62.71 . . . . . . . . . . . 4892 1 371 . 1 1 45 45 PHE N N 15 124.92 . . . . . . . . . . . 4892 1 372 . 1 1 45 45 PHE HA H 1 4.45 . . . . . . . . . . . 4892 1 373 . 1 1 45 45 PHE CA C 13 58.96 . . . . . . . . . . . 4892 1 374 . 1 1 45 45 PHE CB C 13 38.81 . . . . . . . . . . . 4892 1 375 . 1 1 45 45 PHE HD1 H 1 7.14 . . . . . . . . . . . 4892 1 376 . 1 1 45 45 PHE CD1 C 13 130.35 . . . . . . . . . . . 4892 1 377 . 1 1 46 46 LEU N N 15 116.25 . . . . . . . . . . . 4892 1 378 . 1 1 46 46 LEU HA H 1 4.12 . . . . . . . . . . . 4892 1 379 . 1 1 46 46 LEU CA C 13 56.85 . . . . . . . . . . . 4892 1 380 . 1 1 46 46 LEU HB2 H 1 1.73 . . . . . . . . . . . 4892 1 381 . 1 1 46 46 LEU HB3 H 1 1.59 . . . . . . . . . . . 4892 1 382 . 1 1 46 46 LEU CB C 13 41.63 . . . . . . . . . . . 4892 1 383 . 1 1 46 46 LEU HG H 1 1.92 . . . . . . . . . . . 4892 1 384 . 1 1 46 46 LEU HD11 H 1 0.91 . . . . . . . . . . . 4892 1 385 . 1 1 46 46 LEU HD12 H 1 0.91 . . . . . . . . . . . 4892 1 386 . 1 1 46 46 LEU HD13 H 1 0.91 . . . . . . . . . . . 4892 1 387 . 1 1 46 46 LEU HD21 H 1 0.84 . . . . . . . . . . . 4892 1 388 . 1 1 46 46 LEU HD22 H 1 0.84 . . . . . . . . . . . 4892 1 389 . 1 1 46 46 LEU HD23 H 1 0.84 . . . . . . . . . . . 4892 1 390 . 1 1 46 46 LEU CD1 C 13 25.73 . . . . . . . . . . . 4892 1 391 . 1 1 46 46 LEU CD2 C 13 23.85 . . . . . . . . . . . 4892 1 392 . 1 1 47 47 GLY N N 15 105.96 . . . . . . . . . . . 4892 1 393 . 1 1 47 47 GLY HA2 H 1 4.00 . . . . . . . . . . . 4892 1 394 . 1 1 47 47 GLY HA3 H 1 3.74 . . . . . . . . . . . 4892 1 395 . 1 1 47 47 GLY CA C 13 46.35 . . . . . . . . . . . 4892 1 396 . 1 1 48 48 LYS N N 15 119.92 . . . . . . . . . . . 4892 1 397 . 1 1 48 48 LYS HA H 1 4.45 . . . . . . . . . . . 4892 1 398 . 1 1 48 48 LYS CA C 13 56.39 . . . . . . . . . . . 4892 1 399 . 1 1 48 48 LYS HB2 H 1 1.94 . . . . . . . . . . . 4892 1 400 . 1 1 48 48 LYS HB3 H 1 1.85 . . . . . . . . . . . 4892 1 401 . 1 1 48 48 LYS CB C 13 32.95 . . . . . . . . . . . 4892 1 402 . 1 1 48 48 LYS HG2 H 1 1.49 . . . . . . . . . . . 4892 1 403 . 1 1 48 48 LYS HD2 H 1 2.13 . . . . . . . . . . . 4892 1 404 . 1 1 48 48 LYS HD3 H 1 1.70 . . . . . . . . . . . 4892 1 405 . 1 1 48 48 LYS CD C 13 29.75 . . . . . . . . . . . 4892 1 406 . 1 1 48 48 LYS CE C 13 42.30 . . . . . . . . . . . 4892 1 407 . 1 1 49 49 ARG N N 15 119.37 . . . . . . . . . . . 4892 1 408 . 1 1 49 49 ARG HA H 1 4.47 . . . . . . . . . . . 4892 1 409 . 1 1 49 49 ARG CA C 13 56.39 . . . . . . . . . . . 4892 1 410 . 1 1 49 49 ARG HB2 H 1 1.56 . . . . . . . . . . . 4892 1 411 . 1 1 49 49 ARG HB3 H 1 1.42 . . . . . . . . . . . 4892 1 412 . 1 1 49 49 ARG CB C 13 30.37 . . . . . . . . . . . 4892 1 413 . 1 1 49 49 ARG HG2 H 1 1.49 . . . . . . . . . . . 4892 1 414 . 1 1 49 49 ARG CD C 13 43.59 . . . . . . . . . . . 4892 1 415 . 1 1 50 50 THR N N 15 112.89 . . . . . . . . . . . 4892 1 416 . 1 1 50 50 THR HA H 1 4.17 . . . . . . . . . . . 4892 1 417 . 1 1 50 50 THR CA C 13 69.74 . . . . . . . . . . . 4892 1 418 . 1 1 50 50 THR CB C 13 62.95 . . . . . . . . . . . 4892 1 419 . 1 1 50 50 THR HG21 H 1 1.14 . . . . . . . . . . . 4892 1 420 . 1 1 50 50 THR HG22 H 1 1.14 . . . . . . . . . . . 4892 1 421 . 1 1 50 50 THR HG23 H 1 1.14 . . . . . . . . . . . 4892 1 422 . 1 1 51 51 ASP HA H 1 4.82 . . . . . . . . . . . 4892 1 423 . 1 1 51 51 ASP CA C 13 53.12 . . . . . . . . . . . 4892 1 424 . 1 1 51 51 ASP HB2 H 1 2.90 . . . . . . . . . . . 4892 1 425 . 1 1 51 51 ASP HB3 H 1 2.69 . . . . . . . . . . . 4892 1 426 . 1 1 51 51 ASP CB C 13 41.62 . . . . . . . . . . . 4892 1 427 . 1 1 52 52 GLU N N 15 125.38 . . . . . . . . . . . 4892 1 428 . 1 1 52 52 GLU HA H 1 4.31 . . . . . . . . . . . 4892 1 429 . 1 1 52 52 GLU CA C 13 58.35 . . . . . . . . . . . 4892 1 430 . 1 1 52 52 GLU CB C 13 30.23 . . . . . . . . . . . 4892 1 431 . 1 1 52 52 GLU HG2 H 1 2.41 . . . . . . . . . . . 4892 1 432 . 1 1 53 53 ALA N N 15 124.61 . . . . . . . . . . . 4892 1 433 . 1 1 53 53 ALA HA H 1 4.24 . . . . . . . . . . . 4892 1 434 . 1 1 53 53 ALA CA C 13 55.35 . . . . . . . . . . . 4892 1 435 . 1 1 53 53 ALA CB C 13 18.23 . . . . . . . . . . . 4892 1 436 . 1 1 54 54 ALA N N 15 121.79 . . . . . . . . . . . 4892 1 437 . 1 1 54 54 ALA HA H 1 4.10 . . . . . . . . . . . 4892 1 438 . 1 1 54 54 ALA CA C 13 54.98 . . . . . . . . . . . 4892 1 439 . 1 1 54 54 ALA CB C 13 18.42 . . . . . . . . . . . 4892 1 440 . 1 1 55 55 PHE N N 15 120.78 . . . . . . . . . . . 4892 1 441 . 1 1 55 55 PHE HA H 1 4.21 . . . . . . . . . . . 4892 1 442 . 1 1 55 55 PHE CA C 13 61.78 . . . . . . . . . . . 4892 1 443 . 1 1 55 55 PHE CB C 13 39.51 . . . . . . . . . . . 4892 1 444 . 1 1 55 55 PHE HD1 H 1 6.96 . . . . . . . . . . . 4892 1 445 . 1 1 55 55 PHE HD2 H 1 7.18 . . . . . . . . . . . 4892 1 446 . 1 1 56 56 GLN N N 15 119.06 . . . . . . . . . . . 4892 1 447 . 1 1 56 56 GLN HA H 1 3.91 . . . . . . . . . . . 4892 1 448 . 1 1 56 56 GLN CA C 13 58.96 . . . . . . . . . . . 4892 1 449 . 1 1 56 56 GLN CB C 13 27.79 . . . . . . . . . . . 4892 1 450 . 1 1 56 56 GLN HG2 H 1 2.62 . . . . . . . . . . . 4892 1 451 . 1 1 57 57 LYS N N 15 121.25 . . . . . . . . . . . 4892 1 452 . 1 1 57 57 LYS HA H 1 4.03 . . . . . . . . . . . 4892 1 453 . 1 1 57 57 LYS CA C 13 59.43 . . . . . . . . . . . 4892 1 454 . 1 1 57 57 LYS CB C 13 32.24 . . . . . . . . . . . 4892 1 455 . 1 1 57 57 LYS HG2 H 1 1.56 . . . . . . . . . . . 4892 1 456 . 1 1 57 57 LYS HD2 H 1 1.70 . . . . . . . . . . . 4892 1 457 . 1 1 57 57 LYS CD C 13 29.52 . . . . . . . . . . . 4892 1 458 . 1 1 57 57 LYS HE2 H 1 2.85 . . . . . . . . . . . 4892 1 459 . 1 1 57 57 LYS CE C 13 42.18 . . . . . . . . . . . 4892 1 460 . 1 1 58 58 LEU N N 15 122.50 . . . . . . . . . . . 4892 1 461 . 1 1 58 58 LEU HA H 1 4.10 . . . . . . . . . . . 4892 1 462 . 1 1 58 58 LEU CA C 13 58.49 . . . . . . . . . . . 4892 1 463 . 1 1 58 58 LEU HB2 H 1 1.85 . . . . . . . . . . . 4892 1 464 . 1 1 58 58 LEU HB3 H 1 1.70 . . . . . . . . . . . 4892 1 465 . 1 1 58 58 LEU CB C 13 41.85 . . . . . . . . . . . 4892 1 466 . 1 1 58 58 LEU HG H 1 1.56 . . . . . . . . . . . 4892 1 467 . 1 1 58 58 LEU HD11 H 1 0.72 . . . . . . . . . . . 4892 1 468 . 1 1 58 58 LEU HD12 H 1 0.72 . . . . . . . . . . . 4892 1 469 . 1 1 58 58 LEU HD13 H 1 0.72 . . . . . . . . . . . 4892 1 470 . 1 1 58 58 LEU HD21 H 1 0.86 . . . . . . . . . . . 4892 1 471 . 1 1 58 58 LEU HD22 H 1 0.86 . . . . . . . . . . . 4892 1 472 . 1 1 58 58 LEU HD23 H 1 0.86 . . . . . . . . . . . 4892 1 473 . 1 1 58 58 LEU CD1 C 13 25.73 . . . . . . . . . . . 4892 1 474 . 1 1 58 58 LEU CD2 C 13 24.72 . . . . . . . . . . . 4892 1 475 . 1 1 59 59 MET N N 15 116.72 . . . . . . . . . . . 4892 1 476 . 1 1 59 59 MET HA H 1 4.28 . . . . . . . . . . . 4892 1 477 . 1 1 59 59 MET CA C 13 56.85 . . . . . . . . . . . 4892 1 478 . 1 1 59 59 MET CB C 13 31.54 . . . . . . . . . . . 4892 1 479 . 1 1 59 59 MET HG2 H 1 2.34 . . . . . . . . . . . 4892 1 480 . 1 1 59 59 MET HG3 H 1 1.92 . . . . . . . . . . . 4892 1 481 . 1 1 59 59 MET HE1 H 1 1.70 . . . . . . . . . . . 4892 1 482 . 1 1 59 59 MET HE2 H 1 1.70 . . . . . . . . . . . 4892 1 483 . 1 1 59 59 MET HE3 H 1 1.70 . . . . . . . . . . . 4892 1 484 . 1 1 59 59 MET CE C 13 18.60 . . . . . . . . . . . 4892 1 485 . 1 1 60 60 SER N N 15 116.80 . . . . . . . . . . . 4892 1 486 . 1 1 60 60 SER HA H 1 4.31 . . . . . . . . . . . 4892 1 487 . 1 1 60 60 SER CA C 13 61.54 . . . . . . . . . . . 4892 1 488 . 1 1 60 60 SER HB2 H 1 4.05 . . . . . . . . . . . 4892 1 489 . 1 1 60 60 SER HB3 H 1 3.88 . . . . . . . . . . . 4892 1 490 . 1 1 60 60 SER CB C 13 62.95 . . . . . . . . . . . 4892 1 491 . 1 1 61 61 ASN N N 15 121.64 . . . . . . . . . . . 4892 1 492 . 1 1 61 61 ASN HA H 1 4.52 . . . . . . . . . . . 4892 1 493 . 1 1 61 61 ASN CA C 13 55.92 . . . . . . . . . . . 4892 1 494 . 1 1 61 61 ASN CB C 13 39.04 . . . . . . . . . . . 4892 1 495 . 1 1 62 62 LEU N N 15 119.69 . . . . . . . . . . . 4892 1 496 . 1 1 62 62 LEU HA H 1 4.14 . . . . . . . . . . . 4892 1 497 . 1 1 62 62 LEU CA C 13 57.09 . . . . . . . . . . . 4892 1 498 . 1 1 62 62 LEU HB2 H 1 1.82 . . . . . . . . . . . 4892 1 499 . 1 1 62 62 LEU HB3 H 1 1.61 . . . . . . . . . . . 4892 1 500 . 1 1 62 62 LEU CB C 13 41.39 . . . . . . . . . . . 4892 1 501 . 1 1 62 62 LEU HG H 1 1.75 . . . . . . . . . . . 4892 1 502 . 1 1 62 62 LEU HD11 H 1 0.70 . . . . . . . . . . . 4892 1 503 . 1 1 62 62 LEU HD12 H 1 0.70 . . . . . . . . . . . 4892 1 504 . 1 1 62 62 LEU HD13 H 1 0.70 . . . . . . . . . . . 4892 1 505 . 1 1 62 62 LEU HD21 H 1 0.56 . . . . . . . . . . . 4892 1 506 . 1 1 62 62 LEU HD22 H 1 0.56 . . . . . . . . . . . 4892 1 507 . 1 1 62 62 LEU HD23 H 1 0.56 . . . . . . . . . . . 4892 1 508 . 1 1 62 62 LEU CD1 C 13 25.42 . . . . . . . . . . . 4892 1 509 . 1 1 62 62 LEU CD2 C 13 23.60 . . . . . . . . . . . 4892 1 510 . 1 1 63 63 ASP N N 15 118.36 . . . . . . . . . . . 4892 1 511 . 1 1 63 63 ASP HA H 1 4.56 . . . . . . . . . . . 4892 1 512 . 1 1 63 63 ASP CA C 13 55.68 . . . . . . . . . . . 4892 1 513 . 1 1 63 63 ASP HB2 H 1 2.76 . . . . . . . . . . . 4892 1 514 . 1 1 63 63 ASP HB3 H 1 2.67 . . . . . . . . . . . 4892 1 515 . 1 1 63 63 ASP CB C 13 41.39 . . . . . . . . . . . 4892 1 516 . 1 1 64 64 SER N N 15 114.92 . . . . . . . . . . . 4892 1 517 . 1 1 64 64 SER HA H 1 4.47 . . . . . . . . . . . 4892 1 518 . 1 1 64 64 SER CA C 13 58.92 . . . . . . . . . . . 4892 1 519 . 1 1 64 64 SER CB C 13 64.12 . . . . . . . . . . . 4892 1 520 . 1 1 69 69 GLU N N 15 119.22 . . . . . . . . . . . 4892 1 521 . 1 1 69 69 GLU HA H 1 4.89 . . . . . . . . . . . 4892 1 522 . 1 1 69 69 GLU CA C 13 55.92 . . . . . . . . . . . 4892 1 523 . 1 1 69 69 GLU CB C 13 32.71 . . . . . . . . . . . 4892 1 524 . 1 1 69 69 GLU HG2 H 1 2.20 . . . . . . . . . . . 4892 1 525 . 1 1 69 69 GLU HG3 H 1 2.36 . . . . . . . . . . . 4892 1 526 . 1 1 70 70 VAL N N 15 120.47 . . . . . . . . . . . 4892 1 527 . 1 1 70 70 VAL HA H 1 4.70 . . . . . . . . . . . 4892 1 528 . 1 1 70 70 VAL CA C 13 60.60 . . . . . . . . . . . 4892 1 529 . 1 1 70 70 VAL CB C 13 34.59 . . . . . . . . . . . 4892 1 530 . 1 1 70 70 VAL HG11 H 1 1.05 . . . . . . . . . . . 4892 1 531 . 1 1 70 70 VAL HG12 H 1 1.05 . . . . . . . . . . . 4892 1 532 . 1 1 70 70 VAL HG13 H 1 1.05 . . . . . . . . . . . 4892 1 533 . 1 1 70 70 VAL HG21 H 1 0.91 . . . . . . . . . . . 4892 1 534 . 1 1 70 70 VAL HG22 H 1 0.91 . . . . . . . . . . . 4892 1 535 . 1 1 70 70 VAL HG23 H 1 0.91 . . . . . . . . . . . 4892 1 536 . 1 1 71 71 ASP N N 15 124.30 . . . . . . . . . . . 4892 1 537 . 1 1 71 71 ASP HA H 1 5.45 . . . . . . . . . . . 4892 1 538 . 1 1 71 71 ASP CA C 13 51.70 . . . . . . . . . . . 4892 1 539 . 1 1 71 71 ASP HB2 H 1 3.69 . . . . . . . . . . . 4892 1 540 . 1 1 71 71 ASP HB3 H 1 2.90 . . . . . . . . . . . 4892 1 541 . 1 1 71 71 ASP CB C 13 42.32 . . . . . . . . . . . 4892 1 542 . 1 1 72 72 PHE N N 15 119.20 . . . . . . . . . . . 4892 1 543 . 1 1 72 72 PHE HA H 1 3.65 . . . . . . . . . . . 4892 1 544 . 1 1 72 72 PHE CA C 13 62.01 . . . . . . . . . . . 4892 1 545 . 1 1 72 72 PHE HB2 H 1 2.76 . . . . . . . . . . . 4892 1 546 . 1 1 72 72 PHE HB3 H 1 2.57 . . . . . . . . . . . 4892 1 547 . 1 1 72 72 PHE CB C 13 39.74 . . . . . . . . . . . 4892 1 548 . 1 1 72 72 PHE HD1 H 1 6.44 . . . . . . . . . . . 4892 1 549 . 1 1 72 72 PHE HE1 H 1 7.34 . . . . . . . . . . . 4892 1 550 . 1 1 73 73 GLN N N 15 119.92 . . . . . . . . . . . 4892 1 551 . 1 1 73 73 GLN HA H 1 3.81 . . . . . . . . . . . 4892 1 552 . 1 1 73 73 GLN CA C 13 60.37 . . . . . . . . . . . 4892 1 553 . 1 1 73 73 GLN HB2 H 1 2.15 . . . . . . . . . . . 4892 1 554 . 1 1 73 73 GLN HB3 H 1 1.97 . . . . . . . . . . . 4892 1 555 . 1 1 73 73 GLN CB C 13 28.96 . . . . . . . . . . . 4892 1 556 . 1 1 73 73 GLN HG2 H 1 2.48 . . . . . . . . . . . 4892 1 557 . 1 1 73 73 GLN HG3 H 1 2.20 . . . . . . . . . . . 4892 1 558 . 1 1 74 74 GLU N N 15 121.36 . . . . . . . . . . . 4892 1 559 . 1 1 74 74 GLU HA H 1 4.03 . . . . . . . . . . . 4892 1 560 . 1 1 74 74 GLU CA C 13 59.43 . . . . . . . . . . . 4892 1 561 . 1 1 74 74 GLU HB2 H 1 2.41 . . . . . . . . . . . 4892 1 562 . 1 1 74 74 GLU HB3 H 1 2.13 . . . . . . . . . . . 4892 1 563 . 1 1 74 74 GLU HG2 H 1 2.55 . . . . . . . . . . . 4892 1 564 . 1 1 74 74 GLU HG3 H 1 2.41 . . . . . . . . . . . 4892 1 565 . 1 1 75 75 TYR N N 15 123.67 . . . . . . . . . . . 4892 1 566 . 1 1 75 75 TYR HA H 1 4.35 . . . . . . . . . . . 4892 1 567 . 1 1 75 75 TYR CA C 13 60.84 . . . . . . . . . . . 4892 1 568 . 1 1 75 75 TYR HB2 H 1 3.53 . . . . . . . . . . . 4892 1 569 . 1 1 75 75 TYR HB3 H 1 3.11 . . . . . . . . . . . 4892 1 570 . 1 1 75 75 TYR CB C 13 37.64 . . . . . . . . . . . 4892 1 571 . 1 1 75 75 TYR HD1 H 1 6.93 . . . . . . . . . . . 4892 1 572 . 1 1 75 75 TYR HE1 H 1 6.72 . . . . . . . . . . . 4892 1 573 . 1 1 76 76 CYS N N 15 120.16 . . . . . . . . . . . 4892 1 574 . 1 1 76 76 CYS HA H 1 3.46 . . . . . . . . . . . 4892 1 575 . 1 1 76 76 CYS CA C 13 64.59 . . . . . . . . . . . 4892 1 576 . 1 1 76 76 CYS HB2 H 1 2.83 . . . . . . . . . . . 4892 1 577 . 1 1 76 76 CYS HB3 H 1 2.17 . . . . . . . . . . . 4892 1 578 . 1 1 76 76 CYS CB C 13 26.62 . . . . . . . . . . . 4892 1 579 . 1 1 77 77 VAL N N 15 122.66 . . . . . . . . . . . 4892 1 580 . 1 1 77 77 VAL HA H 1 3.44 . . . . . . . . . . . 4892 1 581 . 1 1 77 77 VAL CA C 13 67.17 . . . . . . . . . . . 4892 1 582 . 1 1 77 77 VAL CB C 13 31.31 . . . . . . . . . . . 4892 1 583 . 1 1 77 77 VAL HG11 H 1 0.93 . . . . . . . . . . . 4892 1 584 . 1 1 77 77 VAL HG12 H 1 0.93 . . . . . . . . . . . 4892 1 585 . 1 1 77 77 VAL HG13 H 1 0.93 . . . . . . . . . . . 4892 1 586 . 1 1 77 77 VAL HG21 H 1 0.74 . . . . . . . . . . . 4892 1 587 . 1 1 77 77 VAL HG22 H 1 0.74 . . . . . . . . . . . 4892 1 588 . 1 1 77 77 VAL HG23 H 1 0.74 . . . . . . . . . . . 4892 1 589 . 1 1 78 78 PHE N N 15 123.28 . . . . . . . . . . . 4892 1 590 . 1 1 78 78 PHE HA H 1 3.98 . . . . . . . . . . . 4892 1 591 . 1 1 78 78 PHE CA C 13 63.42 . . . . . . . . . . . 4892 1 592 . 1 1 78 78 PHE HB2 H 1 3.32 . . . . . . . . . . . 4892 1 593 . 1 1 78 78 PHE HB3 H 1 2.99 . . . . . . . . . . . 4892 1 594 . 1 1 78 78 PHE CB C 13 39.04 . . . . . . . . . . . 4892 1 595 . 1 1 78 78 PHE HD1 H 1 7.19 . . . . . . . . . . . 4892 1 596 . 1 1 78 78 PHE HE1 H 1 7.25 . . . . . . . . . . . 4892 1 597 . 1 1 79 79 LEU N N 15 117.58 . . . . . . . . . . . 4892 1 598 . 1 1 79 79 LEU HA H 1 3.86 . . . . . . . . . . . 4892 1 599 . 1 1 79 79 LEU CA C 13 58.03 . . . . . . . . . . . 4892 1 600 . 1 1 79 79 LEU HB2 H 1 1.80 . . . . . . . . . . . 4892 1 601 . 1 1 79 79 LEU HB3 H 1 1.26 . . . . . . . . . . . 4892 1 602 . 1 1 79 79 LEU CB C 13 40.68 . . . . . . . . . . . 4892 1 603 . 1 1 79 79 LEU HG H 1 1.47 . . . . . . . . . . . 4892 1 604 . 1 1 79 79 LEU HD11 H 1 0.71 . . . . . . . . . . . 4892 1 605 . 1 1 79 79 LEU HD12 H 1 0.71 . . . . . . . . . . . 4892 1 606 . 1 1 79 79 LEU HD13 H 1 0.71 . . . . . . . . . . . 4892 1 607 . 1 1 79 79 LEU HD21 H 1 0.46 . . . . . . . . . . . 4892 1 608 . 1 1 79 79 LEU HD22 H 1 0.46 . . . . . . . . . . . 4892 1 609 . 1 1 79 79 LEU HD23 H 1 0.46 . . . . . . . . . . . 4892 1 610 . 1 1 79 79 LEU CD1 C 13 22.73 . . . . . . . . . . . 4892 1 611 . 1 1 79 79 LEU CD2 C 13 26.10 . . . . . . . . . . . 4892 1 612 . 1 1 80 80 SER N N 15 117.19 . . . . . . . . . . . 4892 1 613 . 1 1 80 80 SER HA H 1 4.12 . . . . . . . . . . . 4892 1 614 . 1 1 80 80 SER CA C 13 62.01 . . . . . . . . . . . 4892 1 615 . 1 1 80 80 SER HB2 H 1 3.86 . . . . . . . . . . . 4892 1 616 . 1 1 80 80 SER HB3 H 1 4.10 . . . . . . . . . . . 4892 1 617 . 1 1 80 80 SER CB C 13 63.89 . . . . . . . . . . . 4892 1 618 . 1 1 81 81 CYS N N 15 121.88 . . . . . . . . . . . 4892 1 619 . 1 1 81 81 CYS HA H 1 4.07 . . . . . . . . . . . 4892 1 620 . 1 1 81 81 CYS CA C 13 63.42 . . . . . . . . . . . 4892 1 621 . 1 1 81 81 CYS CB C 13 26.62 . . . . . . . . . . . 4892 1 622 . 1 1 82 82 ILE N N 15 121.64 . . . . . . . . . . . 4892 1 623 . 1 1 82 82 ILE HA H 1 4.05 . . . . . . . . . . . 4892 1 624 . 1 1 82 82 ILE CA C 13 64.12 . . . . . . . . . . . 4892 1 625 . 1 1 82 82 ILE HB H 1 2.15 . . . . . . . . . . . 4892 1 626 . 1 1 82 82 ILE CB C 13 36.93 . . . . . . . . . . . 4892 1 627 . 1 1 82 82 ILE HG21 H 1 0.98 . . . . . . . . . . . 4892 1 628 . 1 1 82 82 ILE HG22 H 1 0.98 . . . . . . . . . . . 4892 1 629 . 1 1 82 82 ILE HG23 H 1 0.98 . . . . . . . . . . . 4892 1 630 . 1 1 82 82 ILE CG2 C 13 18.04 . . . . . . . . . . . 4892 1 631 . 1 1 82 82 ILE HD11 H 1 0.79 . . . . . . . . . . . 4892 1 632 . 1 1 82 82 ILE HD12 H 1 0.79 . . . . . . . . . . . 4892 1 633 . 1 1 82 82 ILE HD13 H 1 0.79 . . . . . . . . . . . 4892 1 634 . 1 1 82 82 ILE CD1 C 13 12.60 . . . . . . . . . . . 4892 1 635 . 1 1 82 82 ILE HG12 H 1 1.49 . . . . . . . . . . . 4892 1 636 . 1 1 82 82 ILE HG13 H 1 1.28 . . . . . . . . . . . 4892 1 637 . 1 1 82 82 ILE CG1 C 13 28.73 . . . . . . . . . . . 4892 1 638 . 1 1 83 83 ALA N N 15 122.89 . . . . . . . . . . . 4892 1 639 . 1 1 83 83 ALA HA H 1 4.05 . . . . . . . . . . . 4892 1 640 . 1 1 83 83 ALA CA C 13 55.68 . . . . . . . . . . . 4892 1 641 . 1 1 83 83 ALA CB C 13 17.71 . . . . . . . . . . . 4892 1 642 . 1 1 84 84 MET N N 15 113.83 . . . . . . . . . . . 4892 1 643 . 1 1 84 84 MET HA H 1 3.63 . . . . . . . . . . . 4892 1 644 . 1 1 84 84 MET CA C 13 58.96 . . . . . . . . . . . 4892 1 645 . 1 1 84 84 MET HB2 H 1 2.13 . . . . . . . . . . . 4892 1 646 . 1 1 84 84 MET HB3 H 1 1.45 . . . . . . . . . . . 4892 1 647 . 1 1 84 84 MET CB C 13 34.12 . . . . . . . . . . . 4892 1 648 . 1 1 84 84 MET HG2 H 1 2.48 . . . . . . . . . . . 4892 1 649 . 1 1 84 84 MET HG3 H 1 2.06 . . . . . . . . . . . 4892 1 650 . 1 1 85 85 MET N N 15 116.25 . . . . . . . . . . . 4892 1 651 . 1 1 85 85 MET HA H 1 4.26 . . . . . . . . . . . 4892 1 652 . 1 1 85 85 MET CA C 13 57.79 . . . . . . . . . . . 4892 1 653 . 1 1 85 85 MET CB C 13 34.12 . . . . . . . . . . . 4892 1 654 . 1 1 85 85 MET HG2 H 1 2.81 . . . . . . . . . . . 4892 1 655 . 1 1 85 85 MET HG3 H 1 2.69 . . . . . . . . . . . 4892 1 656 . 1 1 86 86 CYS N N 15 114.84 . . . . . . . . . . . 4892 1 657 . 1 1 86 86 CYS HA H 1 4.47 . . . . . . . . . . . 4892 1 658 . 1 1 86 86 CYS CA C 13 60.14 . . . . . . . . . . . 4892 1 659 . 1 1 86 86 CYS HB2 H 1 2.57 . . . . . . . . . . . 4892 1 660 . 1 1 86 86 CYS HB3 H 1 2.34 . . . . . . . . . . . 4892 1 661 . 1 1 86 86 CYS CB C 13 29.43 . . . . . . . . . . . 4892 1 662 . 1 1 87 87 ASN N N 15 120.52 . . . . . . . . . . . 4892 1 663 . 1 1 87 87 ASN HA H 1 4.80 . . . . . . . . . . . 4892 1 664 . 1 1 87 87 ASN CA C 13 54.04 . . . . . . . . . . . 4892 1 665 . 1 1 87 87 ASN HB2 H 1 3.02 . . . . . . . . . . . 4892 1 666 . 1 1 87 87 ASN HB3 H 1 2.83 . . . . . . . . . . . 4892 1 667 . 1 1 87 87 ASN CB C 13 40.92 . . . . . . . . . . . 4892 1 668 . 1 1 88 88 GLU HA H 1 4.10 . . . . . . . . . . . 4892 1 669 . 1 1 89 89 PHE N N 15 122.58 . . . . . . . . . . . 4892 1 670 . 1 1 89 89 PHE HA H 1 4.17 . . . . . . . . . . . 4892 1 671 . 1 1 89 89 PHE CA C 13 60.37 . . . . . . . . . . . 4892 1 672 . 1 1 89 89 PHE HB2 H 1 3.02 . . . . . . . . . . . 4892 1 673 . 1 1 89 89 PHE HB3 H 1 2.08 . . . . . . . . . . . 4892 1 674 . 1 1 89 89 PHE CB C 13 39.74 . . . . . . . . . . . 4892 1 675 . 1 1 90 90 PHE N N 15 111.09 . . . . . . . . . . . 4892 1 676 . 1 1 90 90 PHE HA H 1 4.31 . . . . . . . . . . . 4892 1 677 . 1 1 90 90 PHE CA C 13 58.26 . . . . . . . . . . . 4892 1 678 . 1 1 90 90 PHE HB2 H 1 3.25 . . . . . . . . . . . 4892 1 679 . 1 1 90 90 PHE HB3 H 1 3.39 . . . . . . . . . . . 4892 1 680 . 1 1 90 90 PHE CB C 13 39.51 . . . . . . . . . . . 4892 1 681 . 1 1 91 91 GLU N N 15 123.28 . . . . . . . . . . . 4892 1 682 . 1 1 91 91 GLU HA H 1 4.12 . . . . . . . . . . . 4892 1 683 . 1 1 91 91 GLU CA C 13 58.96 . . . . . . . . . . . 4892 1 684 . 1 1 91 91 GLU HB2 H 1 2.27 . . . . . . . . . . . 4892 1 685 . 1 1 91 91 GLU HB3 H 1 2.06 . . . . . . . . . . . 4892 1 686 . 1 1 91 91 GLU CB C 13 29.67 . . . . . . . . . . . 4892 1 687 . 1 1 91 91 GLU HG2 H 1 2.34 . . . . . . . . . . . 4892 1 688 . 1 1 92 92 GLY N N 15 110.47 . . . . . . . . . . . 4892 1 689 . 1 1 92 92 GLY HA2 H 1 4.12 . . . . . . . . . . . 4892 1 690 . 1 1 92 92 GLY HA3 H 1 3.88 . . . . . . . . . . . 4892 1 691 . 1 1 92 92 GLY CA C 13 45.37 . . . . . . . . . . . 4892 1 692 . 1 1 93 93 PHE N N 15 123.75 . . . . . . . . . . . 4892 1 693 . 1 1 93 93 PHE HA H 1 4.63 . . . . . . . . . . . 4892 1 694 . 1 1 93 93 PHE CA C 13 55.45 . . . . . . . . . . . 4892 1 695 . 1 1 93 93 PHE HB2 H 1 2.92 . . . . . . . . . . . 4892 1 696 . 1 1 93 93 PHE HB3 H 1 2.15 . . . . . . . . . . . 4892 1 697 . 1 1 93 93 PHE CB C 13 39.28 . . . . . . . . . . . 4892 1 698 . 1 1 95 95 ASP HA H 1 4.73 . . . . . . . . . . . 4892 1 699 . 1 1 95 95 ASP CA C 13 53.85 . . . . . . . . . . . 4892 1 700 . 1 1 95 95 ASP HB2 H 1 2.69 . . . . . . . . . . . 4892 1 701 . 1 1 95 95 ASP HB3 H 1 2.41 . . . . . . . . . . . 4892 1 702 . 1 1 96 96 LYS N N 15 120.63 . . . . . . . . . . . 4892 1 703 . 1 1 96 96 LYS HA H 1 4.35 . . . . . . . . . . . 4892 1 704 . 1 1 96 96 LYS CA C 13 56.62 . . . . . . . . . . . 4892 1 705 . 1 1 96 96 LYS HB2 H 1 1.94 . . . . . . . . . . . 4892 1 706 . 1 1 96 96 LYS HB3 H 1 1.63 . . . . . . . . . . . 4892 1 707 . 1 1 96 96 LYS CB C 13 33.65 . . . . . . . . . . . 4892 1 708 . 1 1 96 96 LYS HG2 H 1 1.31 . . . . . . . . . . . 4892 1 709 . 1 1 96 96 LYS HG3 H 1 1.56 . . . . . . . . . . . 4892 1 710 . 1 1 96 96 LYS HD2 H 1 1.63 . . . . . . . . . . . 4892 1 711 . 1 1 96 96 LYS CD C 13 30.11 . . . . . . . . . . . 4892 1 712 . 1 1 96 96 LYS CE C 13 42.88 . . . . . . . . . . . 4892 1 713 . 1 1 97 97 GLN N N 15 117.34 . . . . . . . . . . . 4892 1 714 . 1 1 97 97 GLN HA H 1 4.59 . . . . . . . . . . . 4892 1 715 . 1 1 97 97 GLN CA C 13 53.57 . . . . . . . . . . . 4892 1 716 . 1 1 97 97 GLN HB2 H 1 2.34 . . . . . . . . . . . 4892 1 717 . 1 1 97 97 GLN HB3 H 1 2.08 . . . . . . . . . . . 4892 1 718 . 1 1 97 97 GLN CB C 13 28.49 . . . . . . . . . . . 4892 1 719 . 1 1 97 97 GLN HG2 H 1 2.41 . . . . . . . . . . . 4892 1 720 . 1 1 98 98 PRO HA H 1 4.31 . . . . . . . . . . . 4892 1 721 . 1 1 98 98 PRO HB2 H 1 2.18 . . . . . . . . . . . 4892 1 722 . 1 1 98 98 PRO HB3 H 1 1.88 . . . . . . . . . . . 4892 1 723 . 1 1 98 98 PRO HG2 H 1 1.96 . . . . . . . . . . . 4892 1 724 . 1 1 98 98 PRO HG3 H 1 1.81 . . . . . . . . . . . 4892 1 725 . 1 1 98 98 PRO HD2 H 1 3.87 . . . . . . . . . . . 4892 1 726 . 1 1 98 98 PRO HD3 H 1 3.87 . . . . . . . . . . . 4892 1 727 . 1 1 98 98 PRO CA C 13 63.23 . . . . . . . . . . . 4892 1 728 . 1 1 98 98 PRO CB C 13 32.22 . . . . . . . . . . . 4892 1 729 . 1 1 98 98 PRO CG C 13 26.93 . . . . . . . . . . . 4892 1 730 . 1 1 98 98 PRO CD C 13 50.63 . . . . . . . . . . . 4892 1 731 . 1 1 99 99 ARG N N 15 124.14 . . . . . . . . . . . 4892 1 732 . 1 1 99 99 ARG HA H 1 4.31 . . . . . . . . . . . 4892 1 733 . 1 1 99 99 ARG CA C 13 56.15 . . . . . . . . . . . 4892 1 734 . 1 1 99 99 ARG HB2 H 1 1.75 . . . . . . . . . . . 4892 1 735 . 1 1 99 99 ARG HB3 H 1 1.63 . . . . . . . . . . . 4892 1 736 . 1 1 99 99 ARG CB C 13 31.07 . . . . . . . . . . . 4892 1 737 . 1 1 99 99 ARG HG2 H 1 1.70 . . . . . . . . . . . 4892 1 738 . 1 1 99 99 ARG CD C 13 43.47 . . . . . . . . . . . 4892 1 739 . 1 1 100 100 LYS N N 15 124.61 . . . . . . . . . . . 4892 1 740 . 1 1 100 100 LYS HA H 1 4.33 . . . . . . . . . . . 4892 1 741 . 1 1 100 100 LYS CA C 13 56.15 . . . . . . . . . . . 4892 1 742 . 1 1 100 100 LYS HB2 H 1 1.75 . . . . . . . . . . . 4892 1 743 . 1 1 100 100 LYS HB3 H 1 1.45 . . . . . . . . . . . 4892 1 744 . 1 1 100 100 LYS CB C 13 33.42 . . . . . . . . . . . 4892 1 745 . 1 1 100 100 LYS CD C 13 29.52 . . . . . . . . . . . 4892 1 746 . 1 1 100 100 LYS CE C 13 42.30 . . . . . . . . . . . 4892 1 747 . 1 1 101 101 LYS N N 15 129.22 . . . . . . . . . . . 4892 1 748 . 1 1 101 101 LYS HA H 1 4.14 . . . . . . . . . . . 4892 1 749 . 1 1 101 101 LYS CA C 13 57.79 . . . . . . . . . . . 4892 1 750 . 1 1 101 101 LYS HB2 H 1 1.78 . . . . . . . . . . . 4892 1 751 . 1 1 101 101 LYS HB3 H 1 1.68 . . . . . . . . . . . 4892 1 752 . 1 1 101 101 LYS CB C 13 33.65 . . . . . . . . . . . 4892 1 753 . 1 1 101 101 LYS HG2 H 1 1.38 . . . . . . . . . . . 4892 1 754 . 1 1 101 101 LYS CE C 13 42.30 . . . . . . . . . . . 4892 1 stop_ save_