data_4856 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4856 _Entry.Title ; Structural Insight into Human Zn(2+)-bound S100A2 from NMR and Homology Modeling ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-13 _Entry.Accession_date 2000-10-13 _Entry.Last_release_date 2002-01-23 _Entry.Original_release_date 2002-01-23 _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 ; Two primary sets of signals in a ratio of ~4:1 are observed in the spectra of S100A2. These are attributed to cis-trans isomerism at Pro43. Separate chemical shift lists are provided for each isoform. ; _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 Antonio Randazzo . . . 4856 2 Walter Chazin . J. . 4856 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4856 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 402 4856 '15N chemical shifts' 170 4856 '1H chemical shifts' 834 4856 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 . . 2002-01-23 2000-10-13 original author . 4856 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4856 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21518228 _Citation.DOI . _Citation.PubMed_ID 11606065 _Citation.Full_citation . _Citation.Title 'Structural Insight into Human Zn(2+)-bound S100A2 from NMR and Homology Modeling' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 288 _Citation.Journal_issue 2 _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 462 _Citation.Page_last 467 _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 Antonio Randazzo . . . 4856 1 2 Christian Acklin . . . 4856 1 3 Beat Schafer . W. . 4856 1 4 Claus Heizmann . W. . 4856 1 5 Walter Chazin . J. . 4856 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'calcium-binding protein' 4856 1 'proline isomerism' 4856 1 S100A2 4856 1 'zinc-binding protein' 4856 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4856 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 2928325 _Citation.Full_citation ; Proline isomerism leads to multiple folded conformations of calbindin D9k: direct evidence from two-dimensional 1H NMR specrtoscopy. Proc Natl Acad Sci USA. 1989 Apr;86(7):2195-8 ; _Citation.Title 'Proline isomerism leads to multiple folded conformations of calbindin D9k: direct evidence from two-dimensional 1H NMR spectroscopy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 86 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0027-8424 _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 2195 _Citation.Page_last 2198 _Citation.Year 1989 _Citation.Details ; A complete analysis of calbindin D9k by two-dimensional 1H nuclear magnetic resonance spectroscopy has established the existence of two conformations for the folded protein in solution. Well-resolved major and minor resonances in a ratio of 3:1 are observed throughout the 1H NMR spectrum. Two-dimensional exchange experiments show that the major and minor species are related by an equilibrium process. Analysis of short proton-proton distances along the peptide backbone, identified by two-dimensional nuclear Overhauser effect spectroscopy, provides unambiguous evidence that the two forms of the folded protein differ only in the isomerization state of the peptide bond between Gly-42 and Pro-43. Cis-trans isomerism of Pro-43 is thereby directly identified as the cause of multiple conformations for the folded protein in solution. In addition, when Pro-43 is mutated to a glycine residue there is no indication of multiple conformations. These results provide evidence for the possibility of conformational heterogeneity in the native state of globular proteins. ; 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 'W. J.' Chazin W. J. . 4856 2 2 J. Kordel J. . . 4856 2 3 T. Drakenberg T. . . 4856 2 4 E. Thulin E. . . 4856 2 5 P. Brodin P. . . 4856 2 6 T. Grundstrom T. . . 4856 2 7 S. Forsen S. . . 4856 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_S100A2 _Assembly.Sf_category assembly _Assembly.Sf_framecode S100A2 _Assembly.Entry_ID 4856 _Assembly.ID 1 _Assembly.Name 'S100A2 homodimer' _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 4856 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 'S100A2 subunit A' 1 $CaBP . . . native . . 1 . . 4856 1 2 'S100A2 subunit B' 1 $CaBP . . . native . . 1 . . 4856 1 3 ZN-1 2 $ZN . . . native . . . . . 4856 1 4 ZN-2 2 $ZN . . . native . . . . . 4856 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID S100A2 abbreviation 4856 1 'S100A2 homodimer' system 4856 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID calcium-binding 4856 1 zinc-binding 4856 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaBP _Entity.Sf_category entity _Entity.Sf_framecode CaBP _Entity.Entry_ID 4856 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Calcium Binding 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 ; MCSSLEQALAVLVTTFHKYS CQEGDKFKLSKGEMKELLHK ELPSFVGEKVDEEGLKKLMG SLDENSDQQVDFQEYAVFLA LITVMCNDFFQGCPDRP ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _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 2015-01-29 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 PDB 4DUQ . "The Structure Of Ca2+-loaded S100a2 At 1.3a Resolution" . . . . . 100.00 98 96.91 96.91 1.11e-60 . . . . 4856 1 2 no EMBL CAA69033 . "S100A2 [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 3.02e-63 . . . . 4856 1 3 no GB AAH02829 . "S100 calcium binding protein A2 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 2.79e-63 . . . . 4856 1 4 no GB AAI05788 . "S100 calcium binding protein A2 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 2.79e-63 . . . . 4856 1 5 no GB AIC49664 . "S100A2, partial [synthetic construct]" . . . . . 100.00 97 100.00 100.00 3.02e-63 . . . . 4856 1 6 no GB EAW53305 . "S100 calcium binding protein A2 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 2.79e-63 . . . . 4856 1 7 no REF NP_005969 . "protein S100-A2 [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 3.02e-63 . . . . 4856 1 8 no REF XP_001110911 . "PREDICTED: protein S100-A2-like isoform 1 [Macaca mulatta]" . . . . . 100.00 98 97.94 98.97 9.05e-62 . . . . 4856 1 9 no REF XP_001110950 . "PREDICTED: protein S100-A2-like isoform 2 [Macaca mulatta]" . . . . . 100.00 98 97.94 98.97 9.05e-62 . . . . 4856 1 10 no REF XP_001139314 . "PREDICTED: protein S100-A2 [Pan troglodytes]" . . . . . 100.00 98 98.97 100.00 8.22e-63 . . . . 4856 1 11 no REF XP_001139552 . "PREDICTED: protein S100-A2 [Pan troglodytes]" . . . . . 100.00 98 98.97 100.00 8.22e-63 . . . . 4856 1 12 no SP P29034 . "RecName: Full=Protein S100-A2; AltName: Full=CAN19; AltName: Full=Protein S-100L; AltName: Full=S100 calcium-binding protein A2" . . . . . 100.00 98 100.00 100.00 2.79e-63 . . . . 4856 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CaBP abbreviation 4856 1 'Calcium Binding Protein' common 4856 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 . 4856 1 2 . CYS . 4856 1 3 . SER . 4856 1 4 . SER . 4856 1 5 . LEU . 4856 1 6 . GLU . 4856 1 7 . GLN . 4856 1 8 . ALA . 4856 1 9 . LEU . 4856 1 10 . ALA . 4856 1 11 . VAL . 4856 1 12 . LEU . 4856 1 13 . VAL . 4856 1 14 . THR . 4856 1 15 . THR . 4856 1 16 . PHE . 4856 1 17 . HIS . 4856 1 18 . LYS . 4856 1 19 . TYR . 4856 1 20 . SER . 4856 1 21 . CYS . 4856 1 22 . GLN . 4856 1 23 . GLU . 4856 1 24 . GLY . 4856 1 25 . ASP . 4856 1 26 . LYS . 4856 1 27 . PHE . 4856 1 28 . LYS . 4856 1 29 . LEU . 4856 1 30 . SER . 4856 1 31 . LYS . 4856 1 32 . GLY . 4856 1 33 . GLU . 4856 1 34 . MET . 4856 1 35 . LYS . 4856 1 36 . GLU . 4856 1 37 . LEU . 4856 1 38 . LEU . 4856 1 39 . HIS . 4856 1 40 . LYS . 4856 1 41 . GLU . 4856 1 42 . LEU . 4856 1 43 . PRO . 4856 1 44 . SER . 4856 1 45 . PHE . 4856 1 46 . VAL . 4856 1 47 . GLY . 4856 1 48 . GLU . 4856 1 49 . LYS . 4856 1 50 . VAL . 4856 1 51 . ASP . 4856 1 52 . GLU . 4856 1 53 . GLU . 4856 1 54 . GLY . 4856 1 55 . LEU . 4856 1 56 . LYS . 4856 1 57 . LYS . 4856 1 58 . LEU . 4856 1 59 . MET . 4856 1 60 . GLY . 4856 1 61 . SER . 4856 1 62 . LEU . 4856 1 63 . ASP . 4856 1 64 . GLU . 4856 1 65 . ASN . 4856 1 66 . SER . 4856 1 67 . ASP . 4856 1 68 . GLN . 4856 1 69 . GLN . 4856 1 70 . VAL . 4856 1 71 . ASP . 4856 1 72 . PHE . 4856 1 73 . GLN . 4856 1 74 . GLU . 4856 1 75 . TYR . 4856 1 76 . ALA . 4856 1 77 . VAL . 4856 1 78 . PHE . 4856 1 79 . LEU . 4856 1 80 . ALA . 4856 1 81 . LEU . 4856 1 82 . ILE . 4856 1 83 . THR . 4856 1 84 . VAL . 4856 1 85 . MET . 4856 1 86 . CYS . 4856 1 87 . ASN . 4856 1 88 . ASP . 4856 1 89 . PHE . 4856 1 90 . PHE . 4856 1 91 . GLN . 4856 1 92 . GLY . 4856 1 93 . CYS . 4856 1 94 . PRO . 4856 1 95 . ASP . 4856 1 96 . ARG . 4856 1 97 . PRO . 4856 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 4856 1 . CYS 2 2 4856 1 . SER 3 3 4856 1 . SER 4 4 4856 1 . LEU 5 5 4856 1 . GLU 6 6 4856 1 . GLN 7 7 4856 1 . ALA 8 8 4856 1 . LEU 9 9 4856 1 . ALA 10 10 4856 1 . VAL 11 11 4856 1 . LEU 12 12 4856 1 . VAL 13 13 4856 1 . THR 14 14 4856 1 . THR 15 15 4856 1 . PHE 16 16 4856 1 . HIS 17 17 4856 1 . LYS 18 18 4856 1 . TYR 19 19 4856 1 . SER 20 20 4856 1 . CYS 21 21 4856 1 . GLN 22 22 4856 1 . GLU 23 23 4856 1 . GLY 24 24 4856 1 . ASP 25 25 4856 1 . LYS 26 26 4856 1 . PHE 27 27 4856 1 . LYS 28 28 4856 1 . LEU 29 29 4856 1 . SER 30 30 4856 1 . LYS 31 31 4856 1 . GLY 32 32 4856 1 . GLU 33 33 4856 1 . MET 34 34 4856 1 . LYS 35 35 4856 1 . GLU 36 36 4856 1 . LEU 37 37 4856 1 . LEU 38 38 4856 1 . HIS 39 39 4856 1 . LYS 40 40 4856 1 . GLU 41 41 4856 1 . LEU 42 42 4856 1 . PRO 43 43 4856 1 . SER 44 44 4856 1 . PHE 45 45 4856 1 . VAL 46 46 4856 1 . GLY 47 47 4856 1 . GLU 48 48 4856 1 . LYS 49 49 4856 1 . VAL 50 50 4856 1 . ASP 51 51 4856 1 . GLU 52 52 4856 1 . GLU 53 53 4856 1 . GLY 54 54 4856 1 . LEU 55 55 4856 1 . LYS 56 56 4856 1 . LYS 57 57 4856 1 . LEU 58 58 4856 1 . MET 59 59 4856 1 . GLY 60 60 4856 1 . SER 61 61 4856 1 . LEU 62 62 4856 1 . ASP 63 63 4856 1 . GLU 64 64 4856 1 . ASN 65 65 4856 1 . SER 66 66 4856 1 . ASP 67 67 4856 1 . GLN 68 68 4856 1 . GLN 69 69 4856 1 . VAL 70 70 4856 1 . ASP 71 71 4856 1 . PHE 72 72 4856 1 . GLN 73 73 4856 1 . GLU 74 74 4856 1 . TYR 75 75 4856 1 . ALA 76 76 4856 1 . VAL 77 77 4856 1 . PHE 78 78 4856 1 . LEU 79 79 4856 1 . ALA 80 80 4856 1 . LEU 81 81 4856 1 . ILE 82 82 4856 1 . THR 83 83 4856 1 . VAL 84 84 4856 1 . MET 85 85 4856 1 . CYS 86 86 4856 1 . ASN 87 87 4856 1 . ASP 88 88 4856 1 . PHE 89 89 4856 1 . PHE 90 90 4856 1 . GLN 91 91 4856 1 . GLY 92 92 4856 1 . CYS 93 93 4856 1 . PRO 94 94 4856 1 . ASP 95 95 4856 1 . ARG 96 96 4856 1 . PRO 97 97 4856 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 4856 _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 . 4856 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 4856 _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 $CaBP . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4856 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 4856 _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 $CaBP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4856 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 4856 _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 2011-06-04 _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 Jul 21 14:17:05 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=1S/Zn/q+2 InChI InChI 1.03 4856 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 4856 ZN [Zn++] SMILES CACTVS 3.341 4856 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 4856 ZN [Zn+2] SMILES ACDLabs 10.04 4856 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 4856 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4856 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 4856 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4856 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 . 4856 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4856 _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 'Calcium Binding Protein' '[U-95% 13C; U-90% 15N]' . . 1 $CaBP . . . 0.5 1.5 mM . . . . 4856 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4856 _Sample.ID 2 _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 'Calcium Binding Protein' '[U-90% 15N]' . . 1 $CaBP . . . 0.5 1.5 mM . . . . 4856 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond1 _Sample_condition_list.Entry_ID 4856 _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 7.2 0.2 n/a 4856 1 temperature 300 1 K 4856 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 4856 _Software.ID 1 _Software.Name FELIX _Software.Version 98 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4856 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4856 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4856 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 4856 1 2 spectrometer_2 Varian INOVA . 800 . . . 4856 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 4856 _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 HNCA . . . . . . . . . . . . . . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4856 1 2 HNCACB . . . . . . . . . . . . . . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4856 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4856 1 4 15N-HSQC . . . . . . . . . . . . . . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4856 1 5 13C-HSQC . . . . . . . . . . . . . . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4856 1 6 C(CC-CO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4856 1 7 H(CC-CO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4856 1 8 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4856 1 9 '{1H}-15N NOE' . . . . . . . . . . . . . . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4856 1 10 'NOESY-15N HSQC' . . . . . . . . . . . . . . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4856 1 11 'TOCSY-15N HSQC' . . . . . . . . . . . . . . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4856 1 stop_ 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 4856 _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 . direct 0.251449530 . . . . . . . . . 4856 1 H 1 H2O proton . . . . ppm 4.73 internal direct . internal cylindrical parallel_to_Bo . . . . . . 4856 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . direct 0.101329118 . . . . . . . . . 4856 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_major _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_major _Assigned_chem_shift_list.Entry_ID 4856 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _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 'S100A2 major isoform' _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 . 4856 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 CYS H H 1 8.52 . . 1 . . . . . . . . 4856 1 2 . 1 1 2 2 CYS HA H 1 4.55 . . 1 . . . . . . . . 4856 1 3 . 1 1 2 2 CYS HB2 H 1 2.86 . . 2 . . . . . . . . 4856 1 4 . 1 1 2 2 CYS HB3 H 1 2.94 . . 2 . . . . . . . . 4856 1 5 . 1 1 2 2 CYS CA C 13 58.5 . . 1 . . . . . . . . 4856 1 6 . 1 1 2 2 CYS CB C 13 28.5 . . 1 . . . . . . . . 4856 1 7 . 1 1 2 2 CYS N N 15 121.3 . . 1 . . . . . . . . 4856 1 8 . 1 1 3 3 SER H H 1 8.94 . . 1 . . . . . . . . 4856 1 9 . 1 1 3 3 SER HA H 1 4.65 . . 1 . . . . . . . . 4856 1 10 . 1 1 3 3 SER HB2 H 1 3.82 . . 2 . . . . . . . . 4856 1 11 . 1 1 3 3 SER HB3 H 1 4.35 . . 2 . . . . . . . . 4856 1 12 . 1 1 3 3 SER CA C 13 57.4 . . 2 . . . . . . . . 4856 1 13 . 1 1 3 3 SER CB C 13 65.1 . . 1 . . . . . . . . 4856 1 14 . 1 1 3 3 SER N N 15 119.3 . . 1 . . . . . . . . 4856 1 15 . 1 1 4 4 SER H H 1 8.75 . . 1 . . . . . . . . 4856 1 16 . 1 1 4 4 SER CA C 13 60.2 . . 1 . . . . . . . . 4856 1 17 . 1 1 4 4 SER N N 15 117.3 . . 1 . . . . . . . . 4856 1 18 . 1 1 7 7 GLN H H 1 8.06 . . 1 . . . . . . . . 4856 1 19 . 1 1 7 7 GLN HA H 1 4.07 . . 1 . . . . . . . . 4856 1 20 . 1 1 7 7 GLN HB2 H 1 2.15 . . 1 . . . . . . . . 4856 1 21 . 1 1 7 7 GLN HB3 H 1 2.15 . . 1 . . . . . . . . 4856 1 22 . 1 1 7 7 GLN HG2 H 1 2.48 . . 2 . . . . . . . . 4856 1 23 . 1 1 7 7 GLN HG3 H 1 2.38 . . 2 . . . . . . . . 4856 1 24 . 1 1 7 7 GLN CA C 13 58.7 . . 1 . . . . . . . . 4856 1 25 . 1 1 7 7 GLN CB C 13 28.2 . . 1 . . . . . . . . 4856 1 26 . 1 1 7 7 GLN CG C 13 33.9 . . 1 . . . . . . . . 4856 1 27 . 1 1 7 7 GLN N N 15 118.0 . . 1 . . . . . . . . 4856 1 28 . 1 1 8 8 ALA H H 1 8.21 . . 1 . . . . . . . . 4856 1 29 . 1 1 8 8 ALA HA H 1 4.10 . . 1 . . . . . . . . 4856 1 30 . 1 1 8 8 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4856 1 31 . 1 1 8 8 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4856 1 32 . 1 1 8 8 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4856 1 33 . 1 1 8 8 ALA CA C 13 54.9 . . 1 . . . . . . . . 4856 1 34 . 1 1 8 8 ALA CB C 13 17.1 . . 1 . . . . . . . . 4856 1 35 . 1 1 8 8 ALA N N 15 123.0 . . 1 . . . . . . . . 4856 1 36 . 1 1 9 9 LEU H H 1 8.38 . . 1 . . . . . . . . 4856 1 37 . 1 1 9 9 LEU CA C 13 57.7 . . 1 . . . . . . . . 4856 1 38 . 1 1 9 9 LEU N N 15 117.8 . . 1 . . . . . . . . 4856 1 39 . 1 1 10 10 ALA H H 1 8.02 . . 1 . . . . . . . . 4856 1 40 . 1 1 10 10 ALA HA H 1 4.04 . . 1 . . . . . . . . 4856 1 41 . 1 1 10 10 ALA HB1 H 1 1.60 . . 1 . . . . . . . . 4856 1 42 . 1 1 10 10 ALA HB2 H 1 1.60 . . 1 . . . . . . . . 4856 1 43 . 1 1 10 10 ALA HB3 H 1 1.60 . . 1 . . . . . . . . 4856 1 44 . 1 1 10 10 ALA CA C 13 55.5 . . 1 . . . . . . . . 4856 1 45 . 1 1 10 10 ALA CB C 13 17.3 . . 1 . . . . . . . . 4856 1 46 . 1 1 10 10 ALA N N 15 121.0 . . 1 . . . . . . . . 4856 1 47 . 1 1 11 11 VAL H H 1 7.98 . . 1 . . . . . . . . 4856 1 48 . 1 1 11 11 VAL HA H 1 3.81 . . 1 . . . . . . . . 4856 1 49 . 1 1 11 11 VAL HB H 1 2.37 . . 1 . . . . . . . . 4856 1 50 . 1 1 11 11 VAL HG11 H 1 0.78 . . 2 . . . . . . . . 4856 1 51 . 1 1 11 11 VAL HG12 H 1 0.78 . . 2 . . . . . . . . 4856 1 52 . 1 1 11 11 VAL HG13 H 1 0.78 . . 2 . . . . . . . . 4856 1 53 . 1 1 11 11 VAL HG21 H 1 1.16 . . 2 . . . . . . . . 4856 1 54 . 1 1 11 11 VAL HG22 H 1 1.16 . . 2 . . . . . . . . 4856 1 55 . 1 1 11 11 VAL HG23 H 1 1.16 . . 2 . . . . . . . . 4856 1 56 . 1 1 11 11 VAL CA C 13 66.5 . . 1 . . . . . . . . 4856 1 57 . 1 1 11 11 VAL CB C 13 30.9 . . 1 . . . . . . . . 4856 1 58 . 1 1 11 11 VAL CG1 C 13 20.4 . . 2 . . . . . . . . 4856 1 59 . 1 1 11 11 VAL CG2 C 13 22.5 . . 2 . . . . . . . . 4856 1 60 . 1 1 11 11 VAL N N 15 120.4 . . 1 . . . . . . . . 4856 1 61 . 1 1 12 12 LEU H H 1 8.30 . . 1 . . . . . . . . 4856 1 62 . 1 1 12 12 LEU HA H 1 3.95 . . 1 . . . . . . . . 4856 1 63 . 1 1 12 12 LEU CA C 13 60.5 . . 1 . . . . . . . . 4856 1 64 . 1 1 12 12 LEU CB C 13 44.9 . . 1 . . . . . . . . 4856 1 65 . 1 1 12 12 LEU N N 15 124.26 . . 1 . . . . . . . . 4856 1 66 . 1 1 13 13 VAL H H 1 8.15 . . 1 . . . . . . . . 4856 1 67 . 1 1 13 13 VAL HA H 1 3.63 . . 1 . . . . . . . . 4856 1 68 . 1 1 13 13 VAL HB H 1 1.98 . . 1 . . . . . . . . 4856 1 69 . 1 1 13 13 VAL HG11 H 1 0.44 . . 2 . . . . . . . . 4856 1 70 . 1 1 13 13 VAL HG12 H 1 0.44 . . 2 . . . . . . . . 4856 1 71 . 1 1 13 13 VAL HG13 H 1 0.44 . . 2 . . . . . . . . 4856 1 72 . 1 1 13 13 VAL HG21 H 1 0.60 . . 2 . . . . . . . . 4856 1 73 . 1 1 13 13 VAL HG22 H 1 0.60 . . 2 . . . . . . . . 4856 1 74 . 1 1 13 13 VAL HG23 H 1 0.60 . . 2 . . . . . . . . 4856 1 75 . 1 1 13 13 VAL CA C 13 66.9 . . 1 . . . . . . . . 4856 1 76 . 1 1 13 13 VAL CB C 13 31.8 . . 1 . . . . . . . . 4856 1 77 . 1 1 13 13 VAL CG1 C 13 20.6 . . 2 . . . . . . . . 4856 1 78 . 1 1 13 13 VAL CG2 C 13 22.6 . . 2 . . . . . . . . 4856 1 79 . 1 1 13 13 VAL N N 15 120.2 . . 1 . . . . . . . . 4856 1 80 . 1 1 14 14 THR H H 1 8.92 . . 1 . . . . . . . . 4856 1 81 . 1 1 14 14 THR HA H 1 4.20 . . 1 . . . . . . . . 4856 1 82 . 1 1 14 14 THR HB H 1 3.90 . . 1 . . . . . . . . 4856 1 83 . 1 1 14 14 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4856 1 84 . 1 1 14 14 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4856 1 85 . 1 1 14 14 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4856 1 86 . 1 1 14 14 THR CA C 13 66.5 . . 1 . . . . . . . . 4856 1 87 . 1 1 14 14 THR CB C 13 68.7 . . 1 . . . . . . . . 4856 1 88 . 1 1 14 14 THR CG2 C 13 21.4 . . 1 . . . . . . . . 4856 1 89 . 1 1 14 14 THR N N 15 116.2 . . 1 . . . . . . . . 4856 1 90 . 1 1 15 15 THR H H 1 8.47 . . 1 . . . . . . . . 4856 1 91 . 1 1 15 15 THR HA H 1 4.28 . . 1 . . . . . . . . 4856 1 92 . 1 1 15 15 THR HB H 1 3.90 . . 1 . . . . . . . . 4856 1 93 . 1 1 15 15 THR HG21 H 1 1.39 . . 1 . . . . . . . . 4856 1 94 . 1 1 15 15 THR HG22 H 1 1.39 . . 1 . . . . . . . . 4856 1 95 . 1 1 15 15 THR HG23 H 1 1.39 . . 1 . . . . . . . . 4856 1 96 . 1 1 15 15 THR CA C 13 67.9 . . 1 . . . . . . . . 4856 1 97 . 1 1 15 15 THR CG2 C 13 21.3 . . 1 . . . . . . . . 4856 1 98 . 1 1 15 15 THR N N 15 112.2 . . 1 . . . . . . . . 4856 1 99 . 1 1 16 16 PHE H H 1 7.28 . . 1 . . . . . . . . 4856 1 100 . 1 1 16 16 PHE HA H 1 3.63 . . 1 . . . . . . . . 4856 1 101 . 1 1 16 16 PHE HB2 H 1 3.28 . . 1 . . . . . . . . 4856 1 102 . 1 1 16 16 PHE HB3 H 1 3.28 . . 1 . . . . . . . . 4856 1 103 . 1 1 16 16 PHE CA C 13 62.0 . . 1 . . . . . . . . 4856 1 104 . 1 1 16 16 PHE CB C 13 39.1 . . 1 . . . . . . . . 4856 1 105 . 1 1 16 16 PHE N N 15 122.1 . . 1 . . . . . . . . 4856 1 106 . 1 1 17 17 HIS H H 1 8.24 . . 1 . . . . . . . . 4856 1 107 . 1 1 17 17 HIS CA C 13 57.7 . . 1 . . . . . . . . 4856 1 108 . 1 1 17 17 HIS CB C 13 29.4 . . 1 . . . . . . . . 4856 1 109 . 1 1 17 17 HIS N N 15 115.8 . . 1 . . . . . . . . 4856 1 110 . 1 1 18 18 LYS H H 1 7.96 . . 1 . . . . . . . . 4856 1 111 . 1 1 18 18 LYS HA H 1 3.80 . . 1 . . . . . . . . 4856 1 112 . 1 1 18 18 LYS HB2 H 1 1.91 . . 1 . . . . . . . . 4856 1 113 . 1 1 18 18 LYS HB3 H 1 1.91 . . 1 . . . . . . . . 4856 1 114 . 1 1 18 18 LYS HG2 H 1 1.50 . . 4 . . . . . . . . 4856 1 115 . 1 1 18 18 LYS HG3 H 1 1.50 . . 4 . . . . . . . . 4856 1 116 . 1 1 18 18 LYS HD2 H 1 1.50 . . 4 . . . . . . . . 4856 1 117 . 1 1 18 18 LYS HD3 H 1 1.50 . . 4 . . . . . . . . 4856 1 118 . 1 1 18 18 LYS HE2 H 1 2.76 . . 1 . . . . . . . . 4856 1 119 . 1 1 18 18 LYS HE3 H 1 2.76 . . 1 . . . . . . . . 4856 1 120 . 1 1 18 18 LYS CA C 13 59.1 . . 1 . . . . . . . . 4856 1 121 . 1 1 18 18 LYS CB C 13 32.1 . . 1 . . . . . . . . 4856 1 122 . 1 1 18 18 LYS CG C 13 24.2 . . 1 . . . . . . . . 4856 1 123 . 1 1 18 18 LYS CD C 13 29.2 . . 1 . . . . . . . . 4856 1 124 . 1 1 18 18 LYS CE C 13 41.7 . . 1 . . . . . . . . 4856 1 125 . 1 1 18 18 LYS N N 15 119.7 . . 1 . . . . . . . . 4856 1 126 . 1 1 19 19 TYR H H 1 7.05 . . 1 . . . . . . . . 4856 1 127 . 1 1 19 19 TYR HA H 1 4.17 . . 1 . . . . . . . . 4856 1 128 . 1 1 19 19 TYR HB2 H 1 2.42 . . 1 . . . . . . . . 4856 1 129 . 1 1 19 19 TYR HB3 H 1 2.91 . . 1 . . . . . . . . 4856 1 130 . 1 1 19 19 TYR CA C 13 59.4 . . 1 . . . . . . . . 4856 1 131 . 1 1 19 19 TYR CB C 13 40.1 . . 1 . . . . . . . . 4856 1 132 . 1 1 19 19 TYR N N 15 114.1 . . 1 . . . . . . . . 4856 1 133 . 1 1 21 21 CYS H H 1 9.15 . . 1 . . . . . . . . 4856 1 134 . 1 1 21 21 CYS HA H 1 4.11 . . 1 . . . . . . . . 4856 1 135 . 1 1 21 21 CYS CA C 13 57.8 . . 1 . . . . . . . . 4856 1 136 . 1 1 21 21 CYS N N 15 123.7 . . 1 . . . . . . . . 4856 1 137 . 1 1 22 22 GLN H H 1 7.59 . . 1 . . . . . . . . 4856 1 138 . 1 1 22 22 GLN CA C 13 59.3 . . 1 . . . . . . . . 4856 1 139 . 1 1 22 22 GLN CB C 13 28.2 . . 1 . . . . . . . . 4856 1 140 . 1 1 22 22 GLN N N 15 115.6 . . 1 . . . . . . . . 4856 1 141 . 1 1 24 24 GLY H H 1 8.38 . . 1 . . . . . . . . 4856 1 142 . 1 1 24 24 GLY HA2 H 1 3.87 . . 2 . . . . . . . . 4856 1 143 . 1 1 24 24 GLY HA3 H 1 3.68 . . 2 . . . . . . . . 4856 1 144 . 1 1 24 24 GLY CA C 13 46.3 . . 1 . . . . . . . . 4856 1 145 . 1 1 24 24 GLY N N 15 112.0 . . 1 . . . . . . . . 4856 1 146 . 1 1 25 25 ASP H H 1 8.29 . . 1 . . . . . . . . 4856 1 147 . 1 1 25 25 ASP CA C 13 53.7 . . 1 . . . . . . . . 4856 1 148 . 1 1 25 25 ASP CB C 13 41.0 . . 1 . . . . . . . . 4856 1 149 . 1 1 25 25 ASP N N 15 123.1 . . 1 . . . . . . . . 4856 1 150 . 1 1 28 28 LYS H H 1 7.75 . . 1 . . . . . . . . 4856 1 151 . 1 1 28 28 LYS CA C 13 55.5 . . 1 . . . . . . . . 4856 1 152 . 1 1 28 28 LYS CB C 13 29.2 . . 1 . . . . . . . . 4856 1 153 . 1 1 28 28 LYS N N 15 119.3 . . 1 . . . . . . . . 4856 1 154 . 1 1 29 29 LEU H H 1 7.67 . . 1 . . . . . . . . 4856 1 155 . 1 1 29 29 LEU N N 15 115.3 . . 1 . . . . . . . . 4856 1 156 . 1 1 30 30 SER H H 1 9.13 . . 1 . . . . . . . . 4856 1 157 . 1 1 30 30 SER HA H 1 4.90 . . 1 . . . . . . . . 4856 1 158 . 1 1 30 30 SER HB2 H 1 4.41 . . 2 . . . . . . . . 4856 1 159 . 1 1 30 30 SER HB3 H 1 3.95 . . 2 . . . . . . . . 4856 1 160 . 1 1 30 30 SER CA C 13 57.2 . . 1 . . . . . . . . 4856 1 161 . 1 1 30 30 SER CB C 13 64.7 . . 1 . . . . . . . . 4856 1 162 . 1 1 30 30 SER N N 15 119.8 . . 1 . . . . . . . . 4856 1 163 . 1 1 31 31 LYS H H 1 8.94 . . 1 . . . . . . . . 4856 1 164 . 1 1 31 31 LYS HA H 1 3.79 . . 1 . . . . . . . . 4856 1 165 . 1 1 31 31 LYS CA C 13 61.3 . . 1 . . . . . . . . 4856 1 166 . 1 1 31 31 LYS N N 15 122.3 . . 1 . . . . . . . . 4856 1 167 . 1 1 32 32 GLY H H 1 8.90 . . 1 . . . . . . . . 4856 1 168 . 1 1 32 32 GLY HA2 H 1 3.80 . . 2 . . . . . . . . 4856 1 169 . 1 1 32 32 GLY HA3 H 1 3.98 . . 2 . . . . . . . . 4856 1 170 . 1 1 32 32 GLY CA C 13 46.8 . . 1 . . . . . . . . 4856 1 171 . 1 1 32 32 GLY N N 15 105.9 . . 1 . . . . . . . . 4856 1 172 . 1 1 33 33 GLU H H 1 7.87 . . 1 . . . . . . . . 4856 1 173 . 1 1 33 33 GLU HA H 1 4.18 . . 1 . . . . . . . . 4856 1 174 . 1 1 33 33 GLU HB2 H 1 2.32 . . 1 . . . . . . . . 4856 1 175 . 1 1 33 33 GLU HB3 H 1 2.32 . . 1 . . . . . . . . 4856 1 176 . 1 1 33 33 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 4856 1 177 . 1 1 33 33 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 4856 1 178 . 1 1 33 33 GLU CA C 13 58.4 . . 1 . . . . . . . . 4856 1 179 . 1 1 33 33 GLU CB C 13 29.3 . . 1 . . . . . . . . 4856 1 180 . 1 1 33 33 GLU CG C 13 36.6 . . 1 . . . . . . . . 4856 1 181 . 1 1 33 33 GLU N N 15 123.8 . . 1 . . . . . . . . 4856 1 182 . 1 1 34 34 MET H H 1 8.51 . . 1 . . . . . . . . 4856 1 183 . 1 1 34 34 MET HA H 1 4.00 . . 1 . . . . . . . . 4856 1 184 . 1 1 34 34 MET HG2 H 1 2.27 . . 1 . . . . . . . . 4856 1 185 . 1 1 34 34 MET HG3 H 1 2.13 . . 1 . . . . . . . . 4856 1 186 . 1 1 34 34 MET CA C 13 57.7 . . 1 . . . . . . . . 4856 1 187 . 1 1 34 34 MET CB C 13 31.5 . . 1 . . . . . . . . 4856 1 188 . 1 1 34 34 MET CG C 13 32.4 . . 1 . . . . . . . . 4856 1 189 . 1 1 34 34 MET N N 15 120.2 . . 1 . . . . . . . . 4856 1 190 . 1 1 35 35 LYS H H 1 8.06 . . 1 . . . . . . . . 4856 1 191 . 1 1 35 35 LYS HA H 1 3.55 . . 1 . . . . . . . . 4856 1 192 . 1 1 35 35 LYS HB2 H 1 1.93 . . 1 . . . . . . . . 4856 1 193 . 1 1 35 35 LYS HB3 H 1 1.93 . . 1 . . . . . . . . 4856 1 194 . 1 1 35 35 LYS HG2 H 1 1.58 . . 4 . . . . . . . . 4856 1 195 . 1 1 35 35 LYS HG3 H 1 1.58 . . 4 . . . . . . . . 4856 1 196 . 1 1 35 35 LYS HD2 H 1 1.58 . . 4 . . . . . . . . 4856 1 197 . 1 1 35 35 LYS HD3 H 1 1.58 . . 4 . . . . . . . . 4856 1 198 . 1 1 35 35 LYS CA C 13 60.7 . . 1 . . . . . . . . 4856 1 199 . 1 1 35 35 LYS N N 15 118.8 . . 1 . . . . . . . . 4856 1 200 . 1 1 36 36 GLU H H 1 7.26 . . 1 . . . . . . . . 4856 1 201 . 1 1 36 36 GLU HA H 1 4.03 . . 1 . . . . . . . . 4856 1 202 . 1 1 36 36 GLU HB2 H 1 1.95 . . 2 . . . . . . . . 4856 1 203 . 1 1 36 36 GLU HB3 H 1 2.12 . . 2 . . . . . . . . 4856 1 204 . 1 1 36 36 GLU HG2 H 1 2.37 . . 1 . . . . . . . . 4856 1 205 . 1 1 36 36 GLU HG3 H 1 2.37 . . 1 . . . . . . . . 4856 1 206 . 1 1 36 36 GLU CA C 13 59.2 . . 1 . . . . . . . . 4856 1 207 . 1 1 36 36 GLU CB C 13 28.9 . . 1 . . . . . . . . 4856 1 208 . 1 1 36 36 GLU CG C 13 35.2 . . 1 . . . . . . . . 4856 1 209 . 1 1 36 36 GLU N N 15 119.0 . . 1 . . . . . . . . 4856 1 210 . 1 1 37 37 LEU H H 1 8.00 . . 1 . . . . . . . . 4856 1 211 . 1 1 37 37 LEU HA H 1 4.61 . . 1 . . . . . . . . 4856 1 212 . 1 1 37 37 LEU HB2 H 1 1.69 . . 4 . . . . . . . . 4856 1 213 . 1 1 37 37 LEU HB3 H 1 1.69 . . 4 . . . . . . . . 4856 1 214 . 1 1 37 37 LEU HG H 1 1.69 . . 4 . . . . . . . . 4856 1 215 . 1 1 37 37 LEU HD11 H 1 1.69 . . 4 . . . . . . . . 4856 1 216 . 1 1 37 37 LEU HD12 H 1 1.69 . . 4 . . . . . . . . 4856 1 217 . 1 1 37 37 LEU HD13 H 1 1.69 . . 4 . . . . . . . . 4856 1 218 . 1 1 37 37 LEU HD21 H 1 1.69 . . 4 . . . . . . . . 4856 1 219 . 1 1 37 37 LEU HD22 H 1 1.69 . . 4 . . . . . . . . 4856 1 220 . 1 1 37 37 LEU HD23 H 1 1.69 . . 4 . . . . . . . . 4856 1 221 . 1 1 37 37 LEU CA C 13 59.1 . . 1 . . . . . . . . 4856 1 222 . 1 1 37 37 LEU CB C 13 41.7 . . 1 . . . . . . . . 4856 1 223 . 1 1 37 37 LEU N N 15 122.0 . . 1 . . . . . . . . 4856 1 224 . 1 1 38 38 LEU H H 1 8.16 . . 1 . . . . . . . . 4856 1 225 . 1 1 38 38 LEU HA H 1 3.55 . . 1 . . . . . . . . 4856 1 226 . 1 1 38 38 LEU HB2 H 1 1.88 . . 1 . . . . . . . . 4856 1 227 . 1 1 38 38 LEU HB3 H 1 1.88 . . 1 . . . . . . . . 4856 1 228 . 1 1 38 38 LEU CA C 13 58.17 . . 1 . . . . . . . . 4856 1 229 . 1 1 38 38 LEU CB C 13 41.55 . . 1 . . . . . . . . 4856 1 230 . 1 1 38 38 LEU N N 15 118.7 . . 1 . . . . . . . . 4856 1 231 . 1 1 39 39 HIS H H 1 7.66 . . 1 . . . . . . . . 4856 1 232 . 1 1 39 39 HIS HA H 1 4.07 . . 1 . . . . . . . . 4856 1 233 . 1 1 39 39 HIS HB2 H 1 3.09 . . 1 . . . . . . . . 4856 1 234 . 1 1 39 39 HIS HB3 H 1 3.09 . . 1 . . . . . . . . 4856 1 235 . 1 1 39 39 HIS CA C 13 59.3 . . 1 . . . . . . . . 4856 1 236 . 1 1 39 39 HIS CB C 13 29.3 . . 1 . . . . . . . . 4856 1 237 . 1 1 39 39 HIS N N 15 113.9 . . 1 . . . . . . . . 4856 1 238 . 1 1 40 40 LYS H H 1 8.34 . . 1 . . . . . . . . 4856 1 239 . 1 1 40 40 LYS HA H 1 4.10 . . 1 . . . . . . . . 4856 1 240 . 1 1 40 40 LYS HB2 H 1 2.04 . . 1 . . . . . . . . 4856 1 241 . 1 1 40 40 LYS HB3 H 1 2.04 . . 1 . . . . . . . . 4856 1 242 . 1 1 40 40 LYS HG2 H 1 1.74 . . 4 . . . . . . . . 4856 1 243 . 1 1 40 40 LYS HG3 H 1 1.74 . . 4 . . . . . . . . 4856 1 244 . 1 1 40 40 LYS HD2 H 1 1.47 . . 4 . . . . . . . . 4856 1 245 . 1 1 40 40 LYS HD3 H 1 1.47 . . 4 . . . . . . . . 4856 1 246 . 1 1 40 40 LYS HE2 H 1 3.00 . . 1 . . . . . . . . 4856 1 247 . 1 1 40 40 LYS HE3 H 1 3.00 . . 1 . . . . . . . . 4856 1 248 . 1 1 40 40 LYS CA C 13 58.1 . . 1 . . . . . . . . 4856 1 249 . 1 1 40 40 LYS CB C 13 33.4 . . 1 . . . . . . . . 4856 1 250 . 1 1 40 40 LYS CG C 13 25.4 . . 1 . . . . . . . . 4856 1 251 . 1 1 40 40 LYS CD C 13 28.4 . . 1 . . . . . . . . 4856 1 252 . 1 1 40 40 LYS CE C 13 41.9 . . 1 . . . . . . . . 4856 1 253 . 1 1 40 40 LYS N N 15 116.0 . . 1 . . . . . . . . 4856 1 254 . 1 1 41 41 GLU H H 1 8.77 . . 1 . . . . . . . . 4856 1 255 . 1 1 41 41 GLU HA H 1 4.66 . . 1 . . . . . . . . 4856 1 256 . 1 1 41 41 GLU HB2 H 1 1.94 . . 1 . . . . . . . . 4856 1 257 . 1 1 41 41 GLU HB3 H 1 1.94 . . 1 . . . . . . . . 4856 1 258 . 1 1 41 41 GLU CA C 13 55.4 . . 1 . . . . . . . . 4856 1 259 . 1 1 41 41 GLU CB C 13 30.3 . . 1 . . . . . . . . 4856 1 260 . 1 1 41 41 GLU CG C 13 34.9 . . 1 . . . . . . . . 4856 1 261 . 1 1 42 42 LEU H H 1 7.29 . . 1 . . . . . . . . 4856 1 262 . 1 1 42 42 LEU HA H 1 5.08 . . 1 . . . . . . . . 4856 1 263 . 1 1 42 42 LEU HB2 H 1 2.12 . . 1 . . . . . . . . 4856 1 264 . 1 1 42 42 LEU CA C 13 52.3 . . 1 . . . . . . . . 4856 1 265 . 1 1 42 42 LEU CB C 13 41.5 . . 1 . . . . . . . . 4856 1 266 . 1 1 42 42 LEU N N 15 118.2 . . 1 . . . . . . . . 4856 1 267 . 1 1 45 45 PHE H H 1 8.08 . . 1 . . . . . . . . 4856 1 268 . 1 1 45 45 PHE HA H 1 4.44 . . 1 . . . . . . . . 4856 1 269 . 1 1 45 45 PHE HB2 H 1 2.97 . . 2 . . . . . . . . 4856 1 270 . 1 1 45 45 PHE HB3 H 1 3.07 . . 2 . . . . . . . . 4856 1 271 . 1 1 45 45 PHE CA C 13 57.6 . . 1 . . . . . . . . 4856 1 272 . 1 1 45 45 PHE CB C 13 38.3 . . 1 . . . . . . . . 4856 1 273 . 1 1 45 45 PHE N N 15 122.2 . . 1 . . . . . . . . 4856 1 274 . 1 1 46 46 VAL H H 1 7.78 . . 1 . . . . . . . . 4856 1 275 . 1 1 46 46 VAL HA H 1 3.99 . . 1 . . . . . . . . 4856 1 276 . 1 1 46 46 VAL HB H 1 2.07 . . 1 . . . . . . . . 4856 1 277 . 1 1 46 46 VAL HG11 H 1 0.76 . . 2 . . . . . . . . 4856 1 278 . 1 1 46 46 VAL HG12 H 1 0.76 . . 2 . . . . . . . . 4856 1 279 . 1 1 46 46 VAL HG13 H 1 0.76 . . 2 . . . . . . . . 4856 1 280 . 1 1 46 46 VAL HG21 H 1 0.64 . . 2 . . . . . . . . 4856 1 281 . 1 1 46 46 VAL HG22 H 1 0.64 . . 2 . . . . . . . . 4856 1 282 . 1 1 46 46 VAL HG23 H 1 0.64 . . 2 . . . . . . . . 4856 1 283 . 1 1 46 46 VAL CA C 13 62.5 . . 1 . . . . . . . . 4856 1 284 . 1 1 46 46 VAL CB C 13 32.1 . . 1 . . . . . . . . 4856 1 285 . 1 1 46 46 VAL CG1 C 13 20.7 . . 1 . . . . . . . . 4856 1 286 . 1 1 46 46 VAL CG2 C 13 20.7 . . 1 . . . . . . . . 4856 1 287 . 1 1 46 46 VAL N N 15 114.2 . . 1 . . . . . . . . 4856 1 288 . 1 1 47 47 GLY H H 1 7.85 . . 1 . . . . . . . . 4856 1 289 . 1 1 47 47 GLY HA2 H 1 3.93 . . 2 . . . . . . . . 4856 1 290 . 1 1 47 47 GLY HA3 H 1 4.07 . . 2 . . . . . . . . 4856 1 291 . 1 1 47 47 GLY CA C 13 46.2 . . 1 . . . . . . . . 4856 1 292 . 1 1 47 47 GLY N N 15 108.4 . . 1 . . . . . . . . 4856 1 293 . 1 1 48 48 GLU H H 1 8.02 . . 1 . . . . . . . . 4856 1 294 . 1 1 48 48 GLU HA H 1 4.31 . . 1 . . . . . . . . 4856 1 295 . 1 1 48 48 GLU HB2 H 1 2.05 . . 1 . . . . . . . . 4856 1 296 . 1 1 48 48 GLU HB3 H 1 2.05 . . 1 . . . . . . . . 4856 1 297 . 1 1 48 48 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 4856 1 298 . 1 1 48 48 GLU HG3 H 1 2.25 . . 1 . . . . . . . . 4856 1 299 . 1 1 48 48 GLU CA C 13 57.5 . . 1 . . . . . . . . 4856 1 300 . 1 1 48 48 GLU CB C 13 29.9 . . 1 . . . . . . . . 4856 1 301 . 1 1 48 48 GLU CG C 13 36.0 . . 1 . . . . . . . . 4856 1 302 . 1 1 48 48 GLU N N 15 118.0 . . 1 . . . . . . . . 4856 1 303 . 1 1 49 49 LYS H H 1 7.92 . . 1 . . . . . . . . 4856 1 304 . 1 1 49 49 LYS HA H 1 4.44 . . 1 . . . . . . . . 4856 1 305 . 1 1 49 49 LYS HB2 H 1 1.67 . . 2 . . . . . . . . 4856 1 306 . 1 1 49 49 LYS HB3 H 1 1.83 . . 2 . . . . . . . . 4856 1 307 . 1 1 49 49 LYS HG2 H 1 1.56 . . 4 . . . . . . . . 4856 1 308 . 1 1 49 49 LYS HG3 H 1 1.56 . . 4 . . . . . . . . 4856 1 309 . 1 1 49 49 LYS HD2 H 1 1.28 . . 4 . . . . . . . . 4856 1 310 . 1 1 49 49 LYS HD3 H 1 1.28 . . 4 . . . . . . . . 4856 1 311 . 1 1 49 49 LYS HE2 H 1 2.86 . . 1 . . . . . . . . 4856 1 312 . 1 1 49 49 LYS HE3 H 1 2.86 . . 1 . . . . . . . . 4856 1 313 . 1 1 49 49 LYS CA C 13 55.9 . . 1 . . . . . . . . 4856 1 314 . 1 1 49 49 LYS CB C 13 32.7 . . 1 . . . . . . . . 4856 1 315 . 1 1 49 49 LYS CG C 13 24.1 . . 4 . . . . . . . . 4856 1 316 . 1 1 49 49 LYS CD C 13 28.3 . . 4 . . . . . . . . 4856 1 317 . 1 1 49 49 LYS CE C 13 42.2 . . 1 . . . . . . . . 4856 1 318 . 1 1 49 49 LYS N N 15 118.3 . . 1 . . . . . . . . 4856 1 319 . 1 1 50 50 VAL H H 1 7.47 . . 1 . . . . . . . . 4856 1 320 . 1 1 50 50 VAL HA H 1 4.08 . . 1 . . . . . . . . 4856 1 321 . 1 1 50 50 VAL HB H 1 2.09 . . 1 . . . . . . . . 4856 1 322 . 1 1 50 50 VAL HG11 H 1 0.90 . . 1 . . . . . . . . 4856 1 323 . 1 1 50 50 VAL HG12 H 1 0.90 . . 1 . . . . . . . . 4856 1 324 . 1 1 50 50 VAL HG13 H 1 0.90 . . 1 . . . . . . . . 4856 1 325 . 1 1 50 50 VAL HG21 H 1 0.90 . . 1 . . . . . . . . 4856 1 326 . 1 1 50 50 VAL HG22 H 1 0.90 . . 1 . . . . . . . . 4856 1 327 . 1 1 50 50 VAL HG23 H 1 0.90 . . 1 . . . . . . . . 4856 1 328 . 1 1 50 50 VAL CA C 13 62.2 . . 1 . . . . . . . . 4856 1 329 . 1 1 50 50 VAL CB C 13 32.6 . . 1 . . . . . . . . 4856 1 330 . 1 1 50 50 VAL CG1 C 13 20.5 . . 1 . . . . . . . . 4856 1 331 . 1 1 50 50 VAL CG2 C 13 20.5 . . 1 . . . . . . . . 4856 1 332 . 1 1 50 50 VAL N N 15 117.4 . . 1 . . . . . . . . 4856 1 333 . 1 1 51 51 ASP H H 1 8.16 . . 1 . . . . . . . . 4856 1 334 . 1 1 51 51 ASP HA H 1 4.69 . . 1 . . . . . . . . 4856 1 335 . 1 1 51 51 ASP HB2 H 1 2.60 . . 2 . . . . . . . . 4856 1 336 . 1 1 51 51 ASP HB3 H 1 2.81 . . 2 . . . . . . . . 4856 1 337 . 1 1 51 51 ASP CA C 13 53.5 . . 1 . . . . . . . . 4856 1 338 . 1 1 51 51 ASP CB C 13 40.9 . . 1 . . . . . . . . 4856 1 339 . 1 1 51 51 ASP N N 15 121.2 . . 1 . . . . . . . . 4856 1 340 . 1 1 52 52 GLU H H 1 8.05 . . 1 . . . . . . . . 4856 1 341 . 1 1 52 52 GLU HA H 1 4.07 . . 1 . . . . . . . . 4856 1 342 . 1 1 52 52 GLU HB2 H 1 2.15 . . 1 . . . . . . . . 4856 1 343 . 1 1 52 52 GLU HB3 H 1 2.15 . . 1 . . . . . . . . 4856 1 344 . 1 1 52 52 GLU HG2 H 1 2.26 . . 2 . . . . . . . . 4856 1 345 . 1 1 52 52 GLU HG3 H 1 2.37 . . 2 . . . . . . . . 4856 1 346 . 1 1 52 52 GLU CA C 13 58.1 . . 1 . . . . . . . . 4856 1 347 . 1 1 52 52 GLU CB C 13 29.5 . . 1 . . . . . . . . 4856 1 348 . 1 1 52 52 GLU CG C 13 36.4 . . 1 . . . . . . . . 4856 1 349 . 1 1 52 52 GLU N N 15 123.4 . . 1 . . . . . . . . 4856 1 350 . 1 1 53 53 GLU H H 1 8.69 . . 1 . . . . . . . . 4856 1 351 . 1 1 53 53 GLU HA H 1 3.90 . . 1 . . . . . . . . 4856 1 352 . 1 1 53 53 GLU HB2 H 1 2.00 . . 1 . . . . . . . . 4856 1 353 . 1 1 53 53 GLU HB3 H 1 2.00 . . 1 . . . . . . . . 4856 1 354 . 1 1 53 53 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 4856 1 355 . 1 1 53 53 GLU HG3 H 1 2.25 . . 1 . . . . . . . . 4856 1 356 . 1 1 53 53 GLU CA C 13 59.4 . . 1 . . . . . . . . 4856 1 357 . 1 1 53 53 GLU CB C 13 29.3 . . 1 . . . . . . . . 4856 1 358 . 1 1 53 53 GLU CG C 13 35.6 . . 1 . . . . . . . . 4856 1 359 . 1 1 53 53 GLU N N 15 123.0 . . 1 . . . . . . . . 4856 1 360 . 1 1 54 54 GLY H H 1 8.83 . . 1 . . . . . . . . 4856 1 361 . 1 1 54 54 GLY HA2 H 1 3.78 . . 2 . . . . . . . . 4856 1 362 . 1 1 54 54 GLY HA3 H 1 3.93 . . 2 . . . . . . . . 4856 1 363 . 1 1 54 54 GLY CA C 13 47.2 . . 1 . . . . . . . . 4856 1 364 . 1 1 54 54 GLY N N 15 108.4 . . 1 . . . . . . . . 4856 1 365 . 1 1 55 55 LEU H H 1 7.90 . . 1 . . . . . . . . 4856 1 366 . 1 1 55 55 LEU CA C 13 57.3 . . 1 . . . . . . . . 4856 1 367 . 1 1 55 55 LEU CB C 13 41.5 . . 1 . . . . . . . . 4856 1 368 . 1 1 55 55 LEU N N 15 124.0 . . 1 . . . . . . . . 4856 1 369 . 1 1 56 56 LYS H H 1 8.22 . . 1 . . . . . . . . 4856 1 370 . 1 1 56 56 LYS HA H 1 3.85 . . 1 . . . . . . . . 4856 1 371 . 1 1 56 56 LYS HB2 H 1 1.80 . . 4 . . . . . . . . 4856 1 372 . 1 1 56 56 LYS HB3 H 1 1.80 . . 4 . . . . . . . . 4856 1 373 . 1 1 56 56 LYS HG2 H 1 1.80 . . 4 . . . . . . . . 4856 1 374 . 1 1 56 56 LYS HG3 H 1 1.80 . . 4 . . . . . . . . 4856 1 375 . 1 1 56 56 LYS HD2 H 1 1.80 . . 4 . . . . . . . . 4856 1 376 . 1 1 56 56 LYS HD3 H 1 1.80 . . 4 . . . . . . . . 4856 1 377 . 1 1 56 56 LYS CA C 13 59.7 . . 1 . . . . . . . . 4856 1 378 . 1 1 56 56 LYS CB C 13 31.8 . . 1 . . . . . . . . 4856 1 379 . 1 1 56 56 LYS CG C 13 24.5 . . 4 . . . . . . . . 4856 1 380 . 1 1 56 56 LYS CD C 13 24.5 . . 4 . . . . . . . . 4856 1 381 . 1 1 56 56 LYS N N 15 120.0 . . 1 . . . . . . . . 4856 1 382 . 1 1 57 57 LYS H H 1 7.96 . . 1 . . . . . . . . 4856 1 383 . 1 1 57 57 LYS HA H 1 4.01 . . 1 . . . . . . . . 4856 1 384 . 1 1 57 57 LYS HB2 H 1 1.84 . . 1 . . . . . . . . 4856 1 385 . 1 1 57 57 LYS HB3 H 1 1.84 . . 1 . . . . . . . . 4856 1 386 . 1 1 57 57 LYS HG2 H 1 1.59 . . 4 . . . . . . . . 4856 1 387 . 1 1 57 57 LYS HG3 H 1 1.59 . . 4 . . . . . . . . 4856 1 388 . 1 1 57 57 LYS HD2 H 1 1.33 . . 4 . . . . . . . . 4856 1 389 . 1 1 57 57 LYS HD3 H 1 1.48 . . 4 . . . . . . . . 4856 1 390 . 1 1 57 57 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 4856 1 391 . 1 1 57 57 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 4856 1 392 . 1 1 57 57 LYS CA C 13 59.2 . . 1 . . . . . . . . 4856 1 393 . 1 1 57 57 LYS CB C 13 31.9 . . 1 . . . . . . . . 4856 1 394 . 1 1 57 57 LYS CG C 13 24.3 . . 1 . . . . . . . . 4856 1 395 . 1 1 57 57 LYS CD C 13 28.7 . . 1 . . . . . . . . 4856 1 396 . 1 1 57 57 LYS CE C 13 41.6 . . 1 . . . . . . . . 4856 1 397 . 1 1 57 57 LYS N N 15 119.8 . . 1 . . . . . . . . 4856 1 398 . 1 1 58 58 LEU H H 1 7.64 . . 1 . . . . . . . . 4856 1 399 . 1 1 58 58 LEU HA H 1 4.13 . . 1 . . . . . . . . 4856 1 400 . 1 1 58 58 LEU HB2 H 1 1.70 . . 4 . . . . . . . . 4856 1 401 . 1 1 58 58 LEU HB3 H 1 1.70 . . 4 . . . . . . . . 4856 1 402 . 1 1 58 58 LEU HG H 1 1.70 . . 4 . . . . . . . . 4856 1 403 . 1 1 58 58 LEU CA C 13 58.1 . . 1 . . . . . . . . 4856 1 404 . 1 1 58 58 LEU CG C 13 24.3 . . 1 . . . . . . . . 4856 1 405 . 1 1 58 58 LEU N N 15 121.5 . . 1 . . . . . . . . 4856 1 406 . 1 1 59 59 MET H H 1 8.85 . . 1 . . . . . . . . 4856 1 407 . 1 1 59 59 MET HA H 1 4.28 . . 1 . . . . . . . . 4856 1 408 . 1 1 59 59 MET HB2 H 1 2.14 . . 1 . . . . . . . . 4856 1 409 . 1 1 59 59 MET HB3 H 1 2.14 . . 1 . . . . . . . . 4856 1 410 . 1 1 59 59 MET HG2 H 1 2.50 . . 2 . . . . . . . . 4856 1 411 . 1 1 59 59 MET HG3 H 1 2.70 . . 2 . . . . . . . . 4856 1 412 . 1 1 59 59 MET CA C 13 57.3 . . 1 . . . . . . . . 4856 1 413 . 1 1 59 59 MET CB C 13 30.8 . . 1 . . . . . . . . 4856 1 414 . 1 1 59 59 MET CG C 13 32.5 . . 1 . . . . . . . . 4856 1 415 . 1 1 59 59 MET N N 15 117.7 . . 1 . . . . . . . . 4856 1 416 . 1 1 60 60 GLY H H 1 8.28 . . 1 . . . . . . . . 4856 1 417 . 1 1 60 60 GLY HA2 H 1 3.96 . . 1 . . . . . . . . 4856 1 418 . 1 1 60 60 GLY HA3 H 1 3.96 . . 1 . . . . . . . . 4856 1 419 . 1 1 60 60 GLY CA C 13 46.5 . . 1 . . . . . . . . 4856 1 420 . 1 1 60 60 GLY N N 15 107.8 . . 1 . . . . . . . . 4856 1 421 . 1 1 61 61 SER H H 1 7.78 . . 1 . . . . . . . . 4856 1 422 . 1 1 61 61 SER HA H 1 4.73 . . 1 . . . . . . . . 4856 1 423 . 1 1 61 61 SER HB2 H 1 4.12 . . 1 . . . . . . . . 4856 1 424 . 1 1 61 61 SER HB3 H 1 4.12 . . 1 . . . . . . . . 4856 1 425 . 1 1 61 61 SER CA C 13 61.1 . . 1 . . . . . . . . 4856 1 426 . 1 1 61 61 SER CB C 13 62.7 . . 1 . . . . . . . . 4856 1 427 . 1 1 61 61 SER N N 15 117.3 . . 1 . . . . . . . . 4856 1 428 . 1 1 62 62 LEU H H 1 7.53 . . 1 . . . . . . . . 4856 1 429 . 1 1 62 62 LEU HA H 1 4.14 . . 1 . . . . . . . . 4856 1 430 . 1 1 62 62 LEU HB2 H 1 1.90 . . 4 . . . . . . . . 4856 1 431 . 1 1 62 62 LEU HB3 H 1 1.77 . . 4 . . . . . . . . 4856 1 432 . 1 1 62 62 LEU HG H 1 1.77 . . 4 . . . . . . . . 4856 1 433 . 1 1 62 62 LEU HD11 H 1 1.77 . . 4 . . . . . . . . 4856 1 434 . 1 1 62 62 LEU HD12 H 1 1.77 . . 4 . . . . . . . . 4856 1 435 . 1 1 62 62 LEU HD13 H 1 1.77 . . 4 . . . . . . . . 4856 1 436 . 1 1 62 62 LEU HD21 H 1 1.77 . . 4 . . . . . . . . 4856 1 437 . 1 1 62 62 LEU HD22 H 1 1.77 . . 4 . . . . . . . . 4856 1 438 . 1 1 62 62 LEU HD23 H 1 1.77 . . 4 . . . . . . . . 4856 1 439 . 1 1 62 62 LEU CA C 13 56.3 . . 1 . . . . . . . . 4856 1 440 . 1 1 62 62 LEU CB C 13 40.4 . . 1 . . . . . . . . 4856 1 441 . 1 1 62 62 LEU N N 15 121.5 . . 1 . . . . . . . . 4856 1 442 . 1 1 63 63 ASP H H 1 7.39 . . 1 . . . . . . . . 4856 1 443 . 1 1 63 63 ASP HA H 1 4.47 . . 1 . . . . . . . . 4856 1 444 . 1 1 63 63 ASP HB2 H 1 2.60 . . 2 . . . . . . . . 4856 1 445 . 1 1 63 63 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 4856 1 446 . 1 1 63 63 ASP CA C 13 55.1 . . 1 . . . . . . . . 4856 1 447 . 1 1 63 63 ASP CB C 13 41.1 . . 1 . . . . . . . . 4856 1 448 . 1 1 63 63 ASP N N 15 116.2 . . 1 . . . . . . . . 4856 1 449 . 1 1 64 64 GLU H H 1 7.47 . . 1 . . . . . . . . 4856 1 450 . 1 1 64 64 GLU HA H 1 4.18 . . 1 . . . . . . . . 4856 1 451 . 1 1 64 64 GLU HB2 H 1 1.98 . . 1 . . . . . . . . 4856 1 452 . 1 1 64 64 GLU HB3 H 1 1.98 . . 1 . . . . . . . . 4856 1 453 . 1 1 64 64 GLU HG2 H 1 2.18 . . 1 . . . . . . . . 4856 1 454 . 1 1 64 64 GLU HG3 H 1 2.18 . . 1 . . . . . . . . 4856 1 455 . 1 1 64 64 GLU CA C 13 56.2 . . 1 . . . . . . . . 4856 1 456 . 1 1 64 64 GLU CB C 13 30.2 . . 1 . . . . . . . . 4856 1 457 . 1 1 64 64 GLU CG C 13 35.7 . . 1 . . . . . . . . 4856 1 458 . 1 1 64 64 GLU N N 15 119.5 . . 1 . . . . . . . . 4856 1 459 . 1 1 65 65 ASN H H 1 8.35 . . 1 . . . . . . . . 4856 1 460 . 1 1 65 65 ASN HA H 1 4.70 . . 1 . . . . . . . . 4856 1 461 . 1 1 65 65 ASN HB2 H 1 2.89 . . 2 . . . . . . . . 4856 1 462 . 1 1 65 65 ASN HB3 H 1 2.73 . . 2 . . . . . . . . 4856 1 463 . 1 1 65 65 ASN CA C 13 53.3 . . 1 . . . . . . . . 4856 1 464 . 1 1 65 65 ASN CB C 13 37.8 . . 1 . . . . . . . . 4856 1 465 . 1 1 65 65 ASN N N 15 118.7 . . 1 . . . . . . . . 4856 1 466 . 1 1 66 66 SER H H 1 8.02 . . 1 . . . . . . . . 4856 1 467 . 1 1 66 66 SER HA H 1 4.73 . . 1 . . . . . . . . 4856 1 468 . 1 1 66 66 SER HB2 H 1 4.12 . . 1 . . . . . . . . 4856 1 469 . 1 1 66 66 SER HB3 H 1 4.12 . . 1 . . . . . . . . 4856 1 470 . 1 1 66 66 SER CA C 13 61.1 . . 1 . . . . . . . . 4856 1 471 . 1 1 66 66 SER CB C 13 63.3 . . 1 . . . . . . . . 4856 1 472 . 1 1 66 66 SER N N 15 115.2 . . 1 . . . . . . . . 4856 1 473 . 1 1 67 67 ASP H H 1 8.57 . . 1 . . . . . . . . 4856 1 474 . 1 1 67 67 ASP HA H 1 4.65 . . 1 . . . . . . . . 4856 1 475 . 1 1 67 67 ASP HB2 H 1 2.70 . . 1 . . . . . . . . 4856 1 476 . 1 1 67 67 ASP HB3 H 1 2.70 . . 1 . . . . . . . . 4856 1 477 . 1 1 67 67 ASP CA C 13 54.1 . . 1 . . . . . . . . 4856 1 478 . 1 1 67 67 ASP CB C 13 40.2 . . 1 . . . . . . . . 4856 1 479 . 1 1 67 67 ASP N N 15 118.3 . . 1 . . . . . . . . 4856 1 480 . 1 1 68 68 GLN H H 1 7.90 . . 1 . . . . . . . . 4856 1 481 . 1 1 68 68 GLN HA H 1 4.23 . . 1 . . . . . . . . 4856 1 482 . 1 1 68 68 GLN HB2 H 1 2.11 . . 1 . . . . . . . . 4856 1 483 . 1 1 68 68 GLN HB3 H 1 2.11 . . 1 . . . . . . . . 4856 1 484 . 1 1 68 68 GLN HG2 H 1 2.49 . . 1 . . . . . . . . 4856 1 485 . 1 1 68 68 GLN HG3 H 1 2.49 . . 1 . . . . . . . . 4856 1 486 . 1 1 68 68 GLN CA C 13 56.1 . . 1 . . . . . . . . 4856 1 487 . 1 1 68 68 GLN CB C 13 29.1 . . 1 . . . . . . . . 4856 1 488 . 1 1 68 68 GLN CG C 13 33.6 . . 1 . . . . . . . . 4856 1 489 . 1 1 68 68 GLN N N 15 120.9 . . 1 . . . . . . . . 4856 1 490 . 1 1 69 69 GLN H H 1 8.49 . . 1 . . . . . . . . 4856 1 491 . 1 1 69 69 GLN HA H 1 4.69 . . 1 . . . . . . . . 4856 1 492 . 1 1 69 69 GLN HB2 H 1 1.95 . . 1 . . . . . . . . 4856 1 493 . 1 1 69 69 GLN HB3 H 1 1.95 . . 1 . . . . . . . . 4856 1 494 . 1 1 69 69 GLN HG2 H 1 2.20 . . 2 . . . . . . . . 4856 1 495 . 1 1 69 69 GLN HG3 H 1 2.40 . . 2 . . . . . . . . 4856 1 496 . 1 1 69 69 GLN CA C 13 55.4 . . 1 . . . . . . . . 4856 1 497 . 1 1 69 69 GLN CB C 13 30.9 . . 1 . . . . . . . . 4856 1 498 . 1 1 69 69 GLN CG C 13 33.6 . . 1 . . . . . . . . 4856 1 499 . 1 1 69 69 GLN N N 15 121.1 . . 1 . . . . . . . . 4856 1 500 . 1 1 70 70 VAL H H 1 9.35 . . 1 . . . . . . . . 4856 1 501 . 1 1 70 70 VAL HA H 1 4.55 . . 1 . . . . . . . . 4856 1 502 . 1 1 70 70 VAL HB H 1 2.08 . . 1 . . . . . . . . 4856 1 503 . 1 1 70 70 VAL HG11 H 1 0.81 . . 2 . . . . . . . . 4856 1 504 . 1 1 70 70 VAL HG12 H 1 0.81 . . 2 . . . . . . . . 4856 1 505 . 1 1 70 70 VAL HG13 H 1 0.81 . . 2 . . . . . . . . 4856 1 506 . 1 1 70 70 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4856 1 507 . 1 1 70 70 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4856 1 508 . 1 1 70 70 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4856 1 509 . 1 1 70 70 VAL CA C 13 60.7 . . 1 . . . . . . . . 4856 1 510 . 1 1 70 70 VAL CB C 13 33.7 . . 1 . . . . . . . . 4856 1 511 . 1 1 70 70 VAL CG1 C 13 19.9 . . 2 . . . . . . . . 4856 1 512 . 1 1 70 70 VAL CG2 C 13 21.1 . . 2 . . . . . . . . 4856 1 513 . 1 1 70 70 VAL N N 15 121.7 . . 1 . . . . . . . . 4856 1 514 . 1 1 71 71 ASP H H 1 8.58 . . 1 . . . . . . . . 4856 1 515 . 1 1 71 71 ASP HA H 1 5.25 . . 1 . . . . . . . . 4856 1 516 . 1 1 71 71 ASP HB2 H 1 2.70 . . 2 . . . . . . . . 4856 1 517 . 1 1 71 71 ASP HB3 H 1 3.27 . . 2 . . . . . . . . 4856 1 518 . 1 1 71 71 ASP CA C 13 51.8 . . 1 . . . . . . . . 4856 1 519 . 1 1 71 71 ASP CB C 13 41.9 . . 1 . . . . . . . . 4856 1 520 . 1 1 71 71 ASP N N 15 124.1 . . 1 . . . . . . . . 4856 1 521 . 1 1 72 72 PHE H H 1 8.86 . . 1 . . . . . . . . 4856 1 522 . 1 1 72 72 PHE HA H 1 3.39 . . 1 . . . . . . . . 4856 1 523 . 1 1 72 72 PHE HB2 H 1 2.49 . . 2 . . . . . . . . 4856 1 524 . 1 1 72 72 PHE HB3 H 1 2.69 . . 2 . . . . . . . . 4856 1 525 . 1 1 72 72 PHE CA C 13 62.2 . . 1 . . . . . . . . 4856 1 526 . 1 1 72 72 PHE N N 15 119.3 . . 1 . . . . . . . . 4856 1 527 . 1 1 73 73 GLN H H 1 8.21 . . 1 . . . . . . . . 4856 1 528 . 1 1 73 73 GLN HA H 1 3.52 . . 1 . . . . . . . . 4856 1 529 . 1 1 73 73 GLN HB2 H 1 2.06 . . 1 . . . . . . . . 4856 1 530 . 1 1 73 73 GLN HB3 H 1 2.06 . . 1 . . . . . . . . 4856 1 531 . 1 1 73 73 GLN HG2 H 1 2.15 . . 2 . . . . . . . . 4856 1 532 . 1 1 73 73 GLN HG3 H 1 2.20 . . 2 . . . . . . . . 4856 1 533 . 1 1 73 73 GLN CA C 13 59.8 . . 1 . . . . . . . . 4856 1 534 . 1 1 73 73 GLN CB C 13 27.9 . . 1 . . . . . . . . 4856 1 535 . 1 1 73 73 GLN CG C 13 34.2 . . 1 . . . . . . . . 4856 1 536 . 1 1 73 73 GLN N N 15 116.6 . . 1 . . . . . . . . 4856 1 537 . 1 1 74 74 GLU H H 1 8.11 . . 1 . . . . . . . . 4856 1 538 . 1 1 74 74 GLU HA H 1 3.90 . . 1 . . . . . . . . 4856 1 539 . 1 1 74 74 GLU HB2 H 1 2.24 . . 1 . . . . . . . . 4856 1 540 . 1 1 74 74 GLU HB3 H 1 2.24 . . 1 . . . . . . . . 4856 1 541 . 1 1 74 74 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 4856 1 542 . 1 1 74 74 GLU HG3 H 1 2.42 . . 1 . . . . . . . . 4856 1 543 . 1 1 74 74 GLU CA C 13 59.2 . . 1 . . . . . . . . 4856 1 544 . 1 1 74 74 GLU CB C 13 29.6 . . 1 . . . . . . . . 4856 1 545 . 1 1 74 74 GLU N N 15 119.7 . . 1 . . . . . . . . 4856 1 546 . 1 1 75 75 TYR H H 1 8.35 . . 1 . . . . . . . . 4856 1 547 . 1 1 75 75 TYR HA H 1 4.22 . . 1 . . . . . . . . 4856 1 548 . 1 1 75 75 TYR HB2 H 1 2.94 . . 2 . . . . . . . . 4856 1 549 . 1 1 75 75 TYR HB3 H 1 3.12 . . 2 . . . . . . . . 4856 1 550 . 1 1 75 75 TYR CA C 13 60.0 . . 1 . . . . . . . . 4856 1 551 . 1 1 75 75 TYR CB C 13 36.8 . . 1 . . . . . . . . 4856 1 552 . 1 1 75 75 TYR N N 15 123.2 . . 1 . . . . . . . . 4856 1 553 . 1 1 76 76 ALA H H 1 8.08 . . 1 . . . . . . . . 4856 1 554 . 1 1 76 76 ALA HA H 1 3.23 . . 1 . . . . . . . . 4856 1 555 . 1 1 76 76 ALA HB1 H 1 0.89 . . 1 . . . . . . . . 4856 1 556 . 1 1 76 76 ALA HB2 H 1 0.89 . . 1 . . . . . . . . 4856 1 557 . 1 1 76 76 ALA HB3 H 1 0.89 . . 1 . . . . . . . . 4856 1 558 . 1 1 76 76 ALA CA C 13 54.9 . . 1 . . . . . . . . 4856 1 559 . 1 1 76 76 ALA CB C 13 17.1 . . 1 . . . . . . . . 4856 1 560 . 1 1 76 76 ALA N N 15 112.8 . . 1 . . . . . . . . 4856 1 561 . 1 1 77 77 VAL H H 1 7.86 . . 1 . . . . . . . . 4856 1 562 . 1 1 77 77 VAL HA H 1 3.30 . . 1 . . . . . . . . 4856 1 563 . 1 1 77 77 VAL HB H 1 2.08 . . 1 . . . . . . . . 4856 1 564 . 1 1 77 77 VAL HG11 H 1 0.77 . . 2 . . . . . . . . 4856 1 565 . 1 1 77 77 VAL HG12 H 1 0.77 . . 2 . . . . . . . . 4856 1 566 . 1 1 77 77 VAL HG13 H 1 0.77 . . 2 . . . . . . . . 4856 1 567 . 1 1 77 77 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 4856 1 568 . 1 1 77 77 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 4856 1 569 . 1 1 77 77 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 4856 1 570 . 1 1 77 77 VAL CA C 13 66.7 . . 1 . . . . . . . . 4856 1 571 . 1 1 77 77 VAL CB C 13 31.3 . . 1 . . . . . . . . 4856 1 572 . 1 1 77 77 VAL CG1 C 13 20.4 . . 2 . . . . . . . . 4856 1 573 . 1 1 77 77 VAL CG2 C 13 23.4 . . 2 . . . . . . . . 4856 1 574 . 1 1 77 77 VAL N N 15 117.9 . . 1 . . . . . . . . 4856 1 575 . 1 1 78 78 PHE H H 1 8.14 . . 1 . . . . . . . . 4856 1 576 . 1 1 78 78 PHE HA H 1 3.93 . . 1 . . . . . . . . 4856 1 577 . 1 1 78 78 PHE HB2 H 1 2.60 . . 2 . . . . . . . . 4856 1 578 . 1 1 78 78 PHE HB3 H 1 2.81 . . 2 . . . . . . . . 4856 1 579 . 1 1 78 78 PHE CA C 13 55.4 . . 1 . . . . . . . . 4856 1 580 . 1 1 78 78 PHE CB C 13 39.3 . . 1 . . . . . . . . 4856 1 581 . 1 1 78 78 PHE N N 15 120.7 . . 1 . . . . . . . . 4856 1 582 . 1 1 79 79 LEU H H 1 8.04 . . 1 . . . . . . . . 4856 1 583 . 1 1 79 79 LEU HA H 1 3.82 . . 1 . . . . . . . . 4856 1 584 . 1 1 79 79 LEU HB2 H 1 2.60 . . 1 . . . . . . . . 4856 1 585 . 1 1 79 79 LEU HB3 H 1 2.60 . . 1 . . . . . . . . 4856 1 586 . 1 1 79 79 LEU CA C 13 57.4 . . 1 . . . . . . . . 4856 1 587 . 1 1 79 79 LEU CB C 13 40.6 . . 1 . . . . . . . . 4856 1 588 . 1 1 79 79 LEU N N 15 115.2 . . 1 . . . . . . . . 4856 1 589 . 1 1 80 80 ALA H H 1 8.42 . . 1 . . . . . . . . 4856 1 590 . 1 1 80 80 ALA HA H 1 3.96 . . 1 . . . . . . . . 4856 1 591 . 1 1 80 80 ALA HB1 H 1 1.30 . . 1 . . . . . . . . 4856 1 592 . 1 1 80 80 ALA HB2 H 1 1.30 . . 1 . . . . . . . . 4856 1 593 . 1 1 80 80 ALA HB3 H 1 1.30 . . 1 . . . . . . . . 4856 1 594 . 1 1 80 80 ALA CA C 13 51.8 . . 1 . . . . . . . . 4856 1 595 . 1 1 80 80 ALA CB C 13 17.6 . . 1 . . . . . . . . 4856 1 596 . 1 1 80 80 ALA N N 15 124.1 . . 1 . . . . . . . . 4856 1 597 . 1 1 81 81 LEU H H 1 8.37 . . 1 . . . . . . . . 4856 1 598 . 1 1 81 81 LEU HA H 1 3.90 . . 1 . . . . . . . . 4856 1 599 . 1 1 81 81 LEU HB2 H 1 1.80 . . 4 . . . . . . . . 4856 1 600 . 1 1 81 81 LEU HB3 H 1 1.33 . . 4 . . . . . . . . 4856 1 601 . 1 1 81 81 LEU HG H 1 1.68 . . 4 . . . . . . . . 4856 1 602 . 1 1 81 81 LEU CA C 13 57.6 . . 1 . . . . . . . . 4856 1 603 . 1 1 81 81 LEU CB C 13 41.3 . . 1 . . . . . . . . 4856 1 604 . 1 1 81 81 LEU N N 15 119.2 . . 1 . . . . . . . . 4856 1 605 . 1 1 82 82 ILE H H 1 8.00 . . 1 . . . . . . . . 4856 1 606 . 1 1 82 82 ILE HA H 1 3.45 . . 1 . . . . . . . . 4856 1 607 . 1 1 82 82 ILE HB H 1 1.76 . . 1 . . . . . . . . 4856 1 608 . 1 1 82 82 ILE HG21 H 1 0.72 . . 4 . . . . . . . . 4856 1 609 . 1 1 82 82 ILE HG22 H 1 0.72 . . 4 . . . . . . . . 4856 1 610 . 1 1 82 82 ILE HG23 H 1 0.72 . . 4 . . . . . . . . 4856 1 611 . 1 1 82 82 ILE HD11 H 1 0.72 . . 4 . . . . . . . . 4856 1 612 . 1 1 82 82 ILE HD12 H 1 0.72 . . 4 . . . . . . . . 4856 1 613 . 1 1 82 82 ILE HD13 H 1 0.72 . . 4 . . . . . . . . 4856 1 614 . 1 1 82 82 ILE CA C 13 64.8 . . 1 . . . . . . . . 4856 1 615 . 1 1 82 82 ILE CB C 13 37.3 . . 1 . . . . . . . . 4856 1 616 . 1 1 82 82 ILE CG2 C 13 16.5 . . 4 . . . . . . . . 4856 1 617 . 1 1 82 82 ILE CD1 C 13 16.5 . . 4 . . . . . . . . 4856 1 618 . 1 1 82 82 ILE N N 15 118.7 . . 1 . . . . . . . . 4856 1 619 . 1 1 83 83 THR H H 1 7.88 . . 1 . . . . . . . . 4856 1 620 . 1 1 83 83 THR HG21 H 1 0.85 . . 1 . . . . . . . . 4856 1 621 . 1 1 83 83 THR HG22 H 1 0.85 . . 1 . . . . . . . . 4856 1 622 . 1 1 83 83 THR HG23 H 1 0.85 . . 1 . . . . . . . . 4856 1 623 . 1 1 83 83 THR CA C 13 68.0 . . 1 . . . . . . . . 4856 1 624 . 1 1 83 83 THR CB C 13 69.1 . . 1 . . . . . . . . 4856 1 625 . 1 1 83 83 THR CG2 C 13 21.4 . . 1 . . . . . . . . 4856 1 626 . 1 1 83 83 THR N N 15 117.2 . . 1 . . . . . . . . 4856 1 627 . 1 1 84 84 VAL H H 1 7.56 . . 1 . . . . . . . . 4856 1 628 . 1 1 84 84 VAL HA H 1 3.31 . . 1 . . . . . . . . 4856 1 629 . 1 1 84 84 VAL HB H 1 1.85 . . 1 . . . . . . . . 4856 1 630 . 1 1 84 84 VAL CA C 13 64.9 . . 1 . . . . . . . . 4856 1 631 . 1 1 84 84 VAL CB C 13 31.6 . . 1 . . . . . . . . 4856 1 632 . 1 1 84 84 VAL CG1 C 13 20.3 . . 1 . . . . . . . . 4856 1 633 . 1 1 84 84 VAL CG2 C 13 20.3 . . 1 . . . . . . . . 4856 1 634 . 1 1 84 84 VAL N N 15 118.0 . . 1 . . . . . . . . 4856 1 635 . 1 1 85 85 MET H H 1 7.53 . . 1 . . . . . . . . 4856 1 636 . 1 1 85 85 MET HA H 1 4.09 . . 1 . . . . . . . . 4856 1 637 . 1 1 85 85 MET HB2 H 1 2.01 . . 1 . . . . . . . . 4856 1 638 . 1 1 85 85 MET HB3 H 1 2.01 . . 1 . . . . . . . . 4856 1 639 . 1 1 85 85 MET HG2 H 1 2.46 . . 2 . . . . . . . . 4856 1 640 . 1 1 85 85 MET HG3 H 1 2.64 . . 2 . . . . . . . . 4856 1 641 . 1 1 85 85 MET CA C 13 57.7 . . 1 . . . . . . . . 4856 1 642 . 1 1 85 85 MET CB C 13 33.4 . . 1 . . . . . . . . 4856 1 643 . 1 1 85 85 MET CG C 13 32.0 . . 1 . . . . . . . . 4856 1 644 . 1 1 85 85 MET N N 15 117.5 . . 1 . . . . . . . . 4856 1 645 . 1 1 86 86 CYS H H 1 7.58 . . 1 . . . . . . . . 4856 1 646 . 1 1 86 86 CYS HA H 1 4.37 . . 1 . . . . . . . . 4856 1 647 . 1 1 86 86 CYS HB2 H 1 2.34 . . 2 . . . . . . . . 4856 1 648 . 1 1 86 86 CYS HB3 H 1 2.45 . . 2 . . . . . . . . 4856 1 649 . 1 1 86 86 CYS CA C 13 59.2 . . 1 . . . . . . . . 4856 1 650 . 1 1 86 86 CYS CB C 13 28.1 . . 1 . . . . . . . . 4856 1 651 . 1 1 86 86 CYS N N 15 115.3 . . 1 . . . . . . . . 4856 1 652 . 1 1 87 87 ASN H H 1 7.98 . . 1 . . . . . . . . 4856 1 653 . 1 1 87 87 ASN CA C 13 55.2 . . 1 . . . . . . . . 4856 1 654 . 1 1 87 87 ASN CB C 13 39.9 . . 1 . . . . . . . . 4856 1 655 . 1 1 87 87 ASN N N 15 120.0 . . 1 . . . . . . . . 4856 1 656 . 1 1 88 88 ASP H H 1 8.56 . . 1 . . . . . . . . 4856 1 657 . 1 1 88 88 ASP HA H 1 4.24 . . 1 . . . . . . . . 4856 1 658 . 1 1 88 88 ASP HB2 H 1 2.47 . . 1 . . . . . . . . 4856 1 659 . 1 1 88 88 ASP HB3 H 1 2.47 . . 1 . . . . . . . . 4856 1 660 . 1 1 88 88 ASP CA C 13 55.9 . . 1 . . . . . . . . 4856 1 661 . 1 1 88 88 ASP CB C 13 39.8 . . 1 . . . . . . . . 4856 1 662 . 1 1 88 88 ASP N N 15 120.8 . . 1 . . . . . . . . 4856 1 663 . 1 1 89 89 PHE H H 1 8.07 . . 1 . . . . . . . . 4856 1 664 . 1 1 89 89 PHE HA H 1 4.54 . . 1 . . . . . . . . 4856 1 665 . 1 1 89 89 PHE CA C 13 59.2 . . 1 . . . . . . . . 4856 1 666 . 1 1 89 89 PHE N N 15 119.1 . . 1 . . . . . . . . 4856 1 667 . 1 1 90 90 PHE H H 1 7.61 . . 1 . . . . . . . . 4856 1 668 . 1 1 90 90 PHE N N 15 115.6 . . 1 . . . . . . . . 4856 1 669 . 1 1 91 91 GLN H H 1 7.68 . . 1 . . . . . . . . 4856 1 670 . 1 1 91 91 GLN HA H 1 4.12 . . 1 . . . . . . . . 4856 1 671 . 1 1 91 91 GLN HB2 H 1 1.94 . . 2 . . . . . . . . 4856 1 672 . 1 1 91 91 GLN HB3 H 1 2.07 . . 2 . . . . . . . . 4856 1 673 . 1 1 91 91 GLN HG2 H 1 2.29 . . 1 . . . . . . . . 4856 1 674 . 1 1 91 91 GLN HG3 H 1 2.29 . . 1 . . . . . . . . 4856 1 675 . 1 1 91 91 GLN CA C 13 56.8 . . 1 . . . . . . . . 4856 1 676 . 1 1 91 91 GLN CG C 13 33.4 . . 1 . . . . . . . . 4856 1 677 . 1 1 91 91 GLN N N 15 119.2 . . 1 . . . . . . . . 4856 1 678 . 1 1 92 92 GLY H H 1 8.23 . . 1 . . . . . . . . 4856 1 679 . 1 1 92 92 GLY HA2 H 1 3.90 . . 1 . . . . . . . . 4856 1 680 . 1 1 92 92 GLY HA3 H 1 3.90 . . 1 . . . . . . . . 4856 1 681 . 1 1 92 92 GLY CA C 13 44.9 . . 1 . . . . . . . . 4856 1 682 . 1 1 92 92 GLY N N 15 109.9 . . 1 . . . . . . . . 4856 1 683 . 1 1 93 93 CYS H H 1 7.99 . . 1 . . . . . . . . 4856 1 684 . 1 1 93 93 CYS HA H 1 4.46 . . 1 . . . . . . . . 4856 1 685 . 1 1 93 93 CYS HB2 H 1 2.52 . . 2 . . . . . . . . 4856 1 686 . 1 1 93 93 CYS HB3 H 1 2.62 . . 2 . . . . . . . . 4856 1 687 . 1 1 93 93 CYS CA C 13 56.6 . . 1 . . . . . . . . 4856 1 688 . 1 1 93 93 CYS CB C 13 26.9 . . 1 . . . . . . . . 4856 1 689 . 1 1 93 93 CYS N N 15 120.6 . . 1 . . . . . . . . 4856 1 690 . 1 1 95 95 ASP H H 1 8.38 . . 1 . . . . . . . . 4856 1 691 . 1 1 95 95 ASP HA H 1 4.52 . . 1 . . . . . . . . 4856 1 692 . 1 1 95 95 ASP HB2 H 1 2.62 . . 1 . . . . . . . . 4856 1 693 . 1 1 95 95 ASP HB3 H 1 2.62 . . 1 . . . . . . . . 4856 1 694 . 1 1 95 95 ASP CA C 13 53.9 . . 1 . . . . . . . . 4856 1 695 . 1 1 95 95 ASP CB C 13 40.5 . . 1 . . . . . . . . 4856 1 696 . 1 1 95 95 ASP N N 15 119.0 . . 1 . . . . . . . . 4856 1 697 . 1 1 96 96 ARG H H 1 7.85 . . 1 . . . . . . . . 4856 1 698 . 1 1 96 96 ARG HA H 1 4.55 . . 1 . . . . . . . . 4856 1 699 . 1 1 96 96 ARG HB2 H 1 1.86 . . 4 . . . . . . . . 4856 1 700 . 1 1 96 96 ARG HG2 H 1 1.69 . . 4 . . . . . . . . 4856 1 701 . 1 1 96 96 ARG CA C 13 53.7 . . 1 . . . . . . . . 4856 1 702 . 1 1 96 96 ARG CB C 13 30.2 . . 1 . . . . . . . . 4856 1 703 . 1 1 96 96 ARG N N 15 121.9 . . 1 . . . . . . . . 4856 1 stop_ save_ save_shift_set_minor _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_minor _Assigned_chem_shift_list.Entry_ID 4856 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _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 'S100A2 minor isoform' _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 . 4856 2 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 CYS H H 1 8.52 . . 1 . . . . . . . . 4856 2 2 . 1 1 2 2 CYS HA H 1 4.55 . . 1 . . . . . . . . 4856 2 3 . 1 1 2 2 CYS HB2 H 1 2.86 . . 2 . . . . . . . . 4856 2 4 . 1 1 2 2 CYS HB3 H 1 2.94 . . 2 . . . . . . . . 4856 2 5 . 1 1 2 2 CYS CA C 13 58.5 . . 1 . . . . . . . . 4856 2 6 . 1 1 2 2 CYS CB C 13 28.5 . . 1 . . . . . . . . 4856 2 7 . 1 1 2 2 CYS N N 15 121.3 . . 1 . . . . . . . . 4856 2 8 . 1 1 3 3 SER H H 1 8.94 . . 1 . . . . . . . . 4856 2 9 . 1 1 3 3 SER HA H 1 4.65 . . 1 . . . . . . . . 4856 2 10 . 1 1 3 3 SER HB2 H 1 3.82 . . 2 . . . . . . . . 4856 2 11 . 1 1 3 3 SER HB3 H 1 4.35 . . 2 . . . . . . . . 4856 2 12 . 1 1 3 3 SER CA C 13 57.4 . . 2 . . . . . . . . 4856 2 13 . 1 1 3 3 SER CB C 13 65.1 . . 1 . . . . . . . . 4856 2 14 . 1 1 3 3 SER N N 15 119.3 . . 1 . . . . . . . . 4856 2 15 . 1 1 4 4 SER H H 1 8.75 . . 1 . . . . . . . . 4856 2 16 . 1 1 4 4 SER CA C 13 60.2 . . 1 . . . . . . . . 4856 2 17 . 1 1 4 4 SER N N 15 117.3 . . 1 . . . . . . . . 4856 2 18 . 1 1 7 7 GLN H H 1 8.06 . . 1 . . . . . . . . 4856 2 19 . 1 1 7 7 GLN HA H 1 4.07 . . 1 . . . . . . . . 4856 2 20 . 1 1 7 7 GLN HB2 H 1 2.15 . . 1 . . . . . . . . 4856 2 21 . 1 1 7 7 GLN HB3 H 1 2.15 . . 1 . . . . . . . . 4856 2 22 . 1 1 7 7 GLN HG2 H 1 2.48 . . 2 . . . . . . . . 4856 2 23 . 1 1 7 7 GLN HG3 H 1 2.38 . . 2 . . . . . . . . 4856 2 24 . 1 1 7 7 GLN CA C 13 58.7 . . 1 . . . . . . . . 4856 2 25 . 1 1 7 7 GLN CB C 13 28.2 . . 1 . . . . . . . . 4856 2 26 . 1 1 7 7 GLN CG C 13 33.9 . . 1 . . . . . . . . 4856 2 27 . 1 1 7 7 GLN N N 15 118.0 . . 1 . . . . . . . . 4856 2 28 . 1 1 8 8 ALA H H 1 8.21 . . 1 . . . . . . . . 4856 2 29 . 1 1 8 8 ALA HA H 1 4.10 . . 1 . . . . . . . . 4856 2 30 . 1 1 8 8 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4856 2 31 . 1 1 8 8 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4856 2 32 . 1 1 8 8 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4856 2 33 . 1 1 8 8 ALA CA C 13 54.9 . . 1 . . . . . . . . 4856 2 34 . 1 1 8 8 ALA CB C 13 17.1 . . 1 . . . . . . . . 4856 2 35 . 1 1 8 8 ALA N N 15 123.0 . . 1 . . . . . . . . 4856 2 36 . 1 1 9 9 LEU H H 1 8.38 . . 1 . . . . . . . . 4856 2 37 . 1 1 9 9 LEU CA C 13 57.7 . . 1 . . . . . . . . 4856 2 38 . 1 1 9 9 LEU N N 15 117.8 . . 1 . . . . . . . . 4856 2 39 . 1 1 10 10 ALA H H 1 8.02 . . 1 . . . . . . . . 4856 2 40 . 1 1 10 10 ALA HA H 1 4.04 . . 1 . . . . . . . . 4856 2 41 . 1 1 10 10 ALA HB1 H 1 1.60 . . 1 . . . . . . . . 4856 2 42 . 1 1 10 10 ALA HB2 H 1 1.60 . . 1 . . . . . . . . 4856 2 43 . 1 1 10 10 ALA HB3 H 1 1.60 . . 1 . . . . . . . . 4856 2 44 . 1 1 10 10 ALA CA C 13 55.5 . . 1 . . . . . . . . 4856 2 45 . 1 1 10 10 ALA CB C 13 17.3 . . 1 . . . . . . . . 4856 2 46 . 1 1 10 10 ALA N N 15 121.0 . . 1 . . . . . . . . 4856 2 47 . 1 1 11 11 VAL H H 1 7.98 . . 1 . . . . . . . . 4856 2 48 . 1 1 11 11 VAL HA H 1 3.81 . . 1 . . . . . . . . 4856 2 49 . 1 1 11 11 VAL HB H 1 2.37 . . 1 . . . . . . . . 4856 2 50 . 1 1 11 11 VAL HG11 H 1 0.78 . . 2 . . . . . . . . 4856 2 51 . 1 1 11 11 VAL HG12 H 1 0.78 . . 2 . . . . . . . . 4856 2 52 . 1 1 11 11 VAL HG13 H 1 0.78 . . 2 . . . . . . . . 4856 2 53 . 1 1 11 11 VAL HG21 H 1 1.16 . . 2 . . . . . . . . 4856 2 54 . 1 1 11 11 VAL HG22 H 1 1.16 . . 2 . . . . . . . . 4856 2 55 . 1 1 11 11 VAL HG23 H 1 1.16 . . 2 . . . . . . . . 4856 2 56 . 1 1 11 11 VAL CA C 13 66.5 . . 1 . . . . . . . . 4856 2 57 . 1 1 11 11 VAL CB C 13 30.9 . . 1 . . . . . . . . 4856 2 58 . 1 1 11 11 VAL CG1 C 13 20.4 . . 2 . . . . . . . . 4856 2 59 . 1 1 11 11 VAL CG2 C 13 22.5 . . 2 . . . . . . . . 4856 2 60 . 1 1 11 11 VAL N N 15 120.4 . . 1 . . . . . . . . 4856 2 61 . 1 1 12 12 LEU H H 1 8.30 . . 1 . . . . . . . . 4856 2 62 . 1 1 12 12 LEU HA H 1 3.95 . . 1 . . . . . . . . 4856 2 63 . 1 1 12 12 LEU CA C 13 60.5 . . 1 . . . . . . . . 4856 2 64 . 1 1 12 12 LEU CB C 13 44.9 . . 1 . . . . . . . . 4856 2 65 . 1 1 12 12 LEU N N 15 124.26 . . 1 . . . . . . . . 4856 2 66 . 1 1 13 13 VAL H H 1 8.15 . . 1 . . . . . . . . 4856 2 67 . 1 1 13 13 VAL HA H 1 3.63 . . 1 . . . . . . . . 4856 2 68 . 1 1 13 13 VAL HB H 1 1.98 . . 1 . . . . . . . . 4856 2 69 . 1 1 13 13 VAL HG11 H 1 0.44 . . 2 . . . . . . . . 4856 2 70 . 1 1 13 13 VAL HG12 H 1 0.44 . . 2 . . . . . . . . 4856 2 71 . 1 1 13 13 VAL HG13 H 1 0.44 . . 2 . . . . . . . . 4856 2 72 . 1 1 13 13 VAL HG21 H 1 0.60 . . 2 . . . . . . . . 4856 2 73 . 1 1 13 13 VAL HG22 H 1 0.60 . . 2 . . . . . . . . 4856 2 74 . 1 1 13 13 VAL HG23 H 1 0.60 . . 2 . . . . . . . . 4856 2 75 . 1 1 13 13 VAL CA C 13 66.9 . . 1 . . . . . . . . 4856 2 76 . 1 1 13 13 VAL CB C 13 31.8 . . 1 . . . . . . . . 4856 2 77 . 1 1 13 13 VAL CG1 C 13 20.6 . . 2 . . . . . . . . 4856 2 78 . 1 1 13 13 VAL CG2 C 13 22.6 . . 2 . . . . . . . . 4856 2 79 . 1 1 13 13 VAL N N 15 120.2 . . 1 . . . . . . . . 4856 2 80 . 1 1 14 14 THR H H 1 8.92 . . 1 . . . . . . . . 4856 2 81 . 1 1 14 14 THR HA H 1 4.20 . . 1 . . . . . . . . 4856 2 82 . 1 1 14 14 THR HB H 1 3.90 . . 1 . . . . . . . . 4856 2 83 . 1 1 14 14 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4856 2 84 . 1 1 14 14 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4856 2 85 . 1 1 14 14 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4856 2 86 . 1 1 14 14 THR CA C 13 66.5 . . 1 . . . . . . . . 4856 2 87 . 1 1 14 14 THR CB C 13 68.7 . . 1 . . . . . . . . 4856 2 88 . 1 1 14 14 THR CG2 C 13 21.4 . . 1 . . . . . . . . 4856 2 89 . 1 1 14 14 THR N N 15 116.2 . . 1 . . . . . . . . 4856 2 90 . 1 1 15 15 THR H H 1 8.47 . . 1 . . . . . . . . 4856 2 91 . 1 1 15 15 THR HA H 1 4.28 . . 1 . . . . . . . . 4856 2 92 . 1 1 15 15 THR HB H 1 3.90 . . 1 . . . . . . . . 4856 2 93 . 1 1 15 15 THR HG21 H 1 1.39 . . 1 . . . . . . . . 4856 2 94 . 1 1 15 15 THR HG22 H 1 1.39 . . 1 . . . . . . . . 4856 2 95 . 1 1 15 15 THR HG23 H 1 1.39 . . 1 . . . . . . . . 4856 2 96 . 1 1 15 15 THR CA C 13 67.9 . . 1 . . . . . . . . 4856 2 97 . 1 1 15 15 THR CG2 C 13 21.3 . . 1 . . . . . . . . 4856 2 98 . 1 1 15 15 THR N N 15 112.2 . . 1 . . . . . . . . 4856 2 99 . 1 1 16 16 PHE H H 1 7.28 . . 1 . . . . . . . . 4856 2 100 . 1 1 16 16 PHE HA H 1 3.63 . . 1 . . . . . . . . 4856 2 101 . 1 1 16 16 PHE HB2 H 1 3.28 . . 1 . . . . . . . . 4856 2 102 . 1 1 16 16 PHE HB3 H 1 3.28 . . 1 . . . . . . . . 4856 2 103 . 1 1 16 16 PHE CA C 13 62.0 . . 1 . . . . . . . . 4856 2 104 . 1 1 16 16 PHE CB C 13 39.1 . . 1 . . . . . . . . 4856 2 105 . 1 1 16 16 PHE N N 15 122.1 . . 1 . . . . . . . . 4856 2 106 . 1 1 17 17 HIS H H 1 8.24 . . 1 . . . . . . . . 4856 2 107 . 1 1 17 17 HIS CA C 13 57.7 . . 1 . . . . . . . . 4856 2 108 . 1 1 17 17 HIS CB C 13 29.4 . . 1 . . . . . . . . 4856 2 109 . 1 1 17 17 HIS N N 15 115.8 . . 1 . . . . . . . . 4856 2 110 . 1 1 18 18 LYS H H 1 7.96 . . 1 . . . . . . . . 4856 2 111 . 1 1 18 18 LYS HA H 1 3.80 . . 1 . . . . . . . . 4856 2 112 . 1 1 18 18 LYS HB2 H 1 1.91 . . 1 . . . . . . . . 4856 2 113 . 1 1 18 18 LYS HB3 H 1 1.91 . . 1 . . . . . . . . 4856 2 114 . 1 1 18 18 LYS HG2 H 1 1.50 . . 4 . . . . . . . . 4856 2 115 . 1 1 18 18 LYS HG3 H 1 1.50 . . 4 . . . . . . . . 4856 2 116 . 1 1 18 18 LYS HD2 H 1 1.50 . . 4 . . . . . . . . 4856 2 117 . 1 1 18 18 LYS HD3 H 1 1.50 . . 4 . . . . . . . . 4856 2 118 . 1 1 18 18 LYS HE2 H 1 2.76 . . 1 . . . . . . . . 4856 2 119 . 1 1 18 18 LYS HE3 H 1 2.76 . . 1 . . . . . . . . 4856 2 120 . 1 1 18 18 LYS CA C 13 59.1 . . 1 . . . . . . . . 4856 2 121 . 1 1 18 18 LYS CB C 13 32.1 . . 1 . . . . . . . . 4856 2 122 . 1 1 18 18 LYS CG C 13 24.2 . . 1 . . . . . . . . 4856 2 123 . 1 1 18 18 LYS CD C 13 29.2 . . 1 . . . . . . . . 4856 2 124 . 1 1 18 18 LYS CE C 13 41.7 . . 1 . . . . . . . . 4856 2 125 . 1 1 18 18 LYS N N 15 119.7 . . 1 . . . . . . . . 4856 2 126 . 1 1 19 19 TYR H H 1 7.05 . . 1 . . . . . . . . 4856 2 127 . 1 1 19 19 TYR HA H 1 4.17 . . 1 . . . . . . . . 4856 2 128 . 1 1 19 19 TYR HB2 H 1 2.42 . . 1 . . . . . . . . 4856 2 129 . 1 1 19 19 TYR HB3 H 1 2.91 . . 1 . . . . . . . . 4856 2 130 . 1 1 19 19 TYR CA C 13 59.4 . . 1 . . . . . . . . 4856 2 131 . 1 1 19 19 TYR CB C 13 40.1 . . 1 . . . . . . . . 4856 2 132 . 1 1 19 19 TYR N N 15 114.1 . . 1 . . . . . . . . 4856 2 133 . 1 1 21 21 CYS H H 1 9.15 . . 1 . . . . . . . . 4856 2 134 . 1 1 21 21 CYS HA H 1 4.11 . . 1 . . . . . . . . 4856 2 135 . 1 1 21 21 CYS CA C 13 57.8 . . 1 . . . . . . . . 4856 2 136 . 1 1 21 21 CYS N N 15 123.7 . . 1 . . . . . . . . 4856 2 137 . 1 1 22 22 GLN H H 1 7.59 . . 1 . . . . . . . . 4856 2 138 . 1 1 22 22 GLN CA C 13 59.3 . . 1 . . . . . . . . 4856 2 139 . 1 1 22 22 GLN CB C 13 28.2 . . 1 . . . . . . . . 4856 2 140 . 1 1 22 22 GLN N N 15 115.6 . . 1 . . . . . . . . 4856 2 141 . 1 1 24 24 GLY H H 1 8.38 . . 1 . . . . . . . . 4856 2 142 . 1 1 24 24 GLY HA2 H 1 3.87 . . 2 . . . . . . . . 4856 2 143 . 1 1 24 24 GLY HA3 H 1 3.68 . . 2 . . . . . . . . 4856 2 144 . 1 1 24 24 GLY CA C 13 46.3 . . 1 . . . . . . . . 4856 2 145 . 1 1 24 24 GLY N N 15 112.0 . . 1 . . . . . . . . 4856 2 146 . 1 1 25 25 ASP H H 1 8.29 . . 1 . . . . . . . . 4856 2 147 . 1 1 25 25 ASP CA C 13 53.7 . . 1 . . . . . . . . 4856 2 148 . 1 1 25 25 ASP CB C 13 41.0 . . 1 . . . . . . . . 4856 2 149 . 1 1 25 25 ASP N N 15 123.1 . . 1 . . . . . . . . 4856 2 150 . 1 1 28 28 LYS H H 1 7.75 . . 1 . . . . . . . . 4856 2 151 . 1 1 28 28 LYS CA C 13 55.5 . . 1 . . . . . . . . 4856 2 152 . 1 1 28 28 LYS CB C 13 29.2 . . 1 . . . . . . . . 4856 2 153 . 1 1 28 28 LYS N N 15 119.3 . . 1 . . . . . . . . 4856 2 154 . 1 1 29 29 LEU H H 1 7.67 . . 1 . . . . . . . . 4856 2 155 . 1 1 29 29 LEU N N 15 115.3 . . 1 . . . . . . . . 4856 2 156 . 1 1 30 30 SER H H 1 9.13 . . 1 . . . . . . . . 4856 2 157 . 1 1 30 30 SER HA H 1 4.90 . . 1 . . . . . . . . 4856 2 158 . 1 1 30 30 SER HB2 H 1 4.41 . . 2 . . . . . . . . 4856 2 159 . 1 1 30 30 SER HB3 H 1 3.95 . . 2 . . . . . . . . 4856 2 160 . 1 1 30 30 SER CA C 13 57.2 . . 1 . . . . . . . . 4856 2 161 . 1 1 30 30 SER CB C 13 64.7 . . 1 . . . . . . . . 4856 2 162 . 1 1 30 30 SER N N 15 119.8 . . 1 . . . . . . . . 4856 2 163 . 1 1 31 31 LYS H H 1 8.94 . . 1 . . . . . . . . 4856 2 164 . 1 1 31 31 LYS HA H 1 3.79 . . 1 . . . . . . . . 4856 2 165 . 1 1 31 31 LYS CA C 13 61.3 . . 1 . . . . . . . . 4856 2 166 . 1 1 31 31 LYS N N 15 122.3 . . 1 . . . . . . . . 4856 2 167 . 1 1 32 32 GLY H H 1 8.90 . . 1 . . . . . . . . 4856 2 168 . 1 1 32 32 GLY HA2 H 1 3.80 . . 2 . . . . . . . . 4856 2 169 . 1 1 32 32 GLY HA3 H 1 3.98 . . 2 . . . . . . . . 4856 2 170 . 1 1 32 32 GLY CA C 13 46.8 . . 1 . . . . . . . . 4856 2 171 . 1 1 32 32 GLY N N 15 105.9 . . 1 . . . . . . . . 4856 2 172 . 1 1 33 33 GLU H H 1 7.92 . . 1 . . . . . . . . 4856 2 173 . 1 1 33 33 GLU HA H 1 4.18 . . 1 . . . . . . . . 4856 2 174 . 1 1 33 33 GLU HB2 H 1 2.32 . . 1 . . . . . . . . 4856 2 175 . 1 1 33 33 GLU HB3 H 1 2.32 . . 1 . . . . . . . . 4856 2 176 . 1 1 33 33 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 4856 2 177 . 1 1 33 33 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 4856 2 178 . 1 1 33 33 GLU CA C 13 58.4 . . 1 . . . . . . . . 4856 2 179 . 1 1 33 33 GLU CB C 13 29.3 . . 1 . . . . . . . . 4856 2 180 . 1 1 33 33 GLU CG C 13 36.6 . . 1 . . . . . . . . 4856 2 181 . 1 1 33 33 GLU N N 15 124.0 . . 1 . . . . . . . . 4856 2 182 . 1 1 34 34 MET H H 1 8.51 . . 1 . . . . . . . . 4856 2 183 . 1 1 34 34 MET HA H 1 4.00 . . 1 . . . . . . . . 4856 2 184 . 1 1 34 34 MET HG2 H 1 2.27 . . 1 . . . . . . . . 4856 2 185 . 1 1 34 34 MET HG3 H 1 2.13 . . 1 . . . . . . . . 4856 2 186 . 1 1 34 34 MET CA C 13 57.7 . . 1 . . . . . . . . 4856 2 187 . 1 1 34 34 MET CB C 13 31.5 . . 1 . . . . . . . . 4856 2 188 . 1 1 34 34 MET CG C 13 32.4 . . 1 . . . . . . . . 4856 2 189 . 1 1 34 34 MET N N 15 120.2 . . 1 . . . . . . . . 4856 2 190 . 1 1 35 35 LYS H H 1 8.06 . . 1 . . . . . . . . 4856 2 191 . 1 1 35 35 LYS HA H 1 3.55 . . 1 . . . . . . . . 4856 2 192 . 1 1 35 35 LYS HB2 H 1 1.93 . . 1 . . . . . . . . 4856 2 193 . 1 1 35 35 LYS HB3 H 1 1.93 . . 1 . . . . . . . . 4856 2 194 . 1 1 35 35 LYS HG2 H 1 1.58 . . 4 . . . . . . . . 4856 2 195 . 1 1 35 35 LYS HG3 H 1 1.58 . . 4 . . . . . . . . 4856 2 196 . 1 1 35 35 LYS HD2 H 1 1.58 . . 4 . . . . . . . . 4856 2 197 . 1 1 35 35 LYS HD3 H 1 1.58 . . 4 . . . . . . . . 4856 2 198 . 1 1 35 35 LYS CA C 13 60.7 . . 1 . . . . . . . . 4856 2 199 . 1 1 35 35 LYS N N 15 118.8 . . 1 . . . . . . . . 4856 2 200 . 1 1 36 36 GLU H H 1 7.26 . . 1 . . . . . . . . 4856 2 201 . 1 1 36 36 GLU HA H 1 4.03 . . 1 . . . . . . . . 4856 2 202 . 1 1 36 36 GLU HB2 H 1 1.95 . . 2 . . . . . . . . 4856 2 203 . 1 1 36 36 GLU HB3 H 1 2.12 . . 2 . . . . . . . . 4856 2 204 . 1 1 36 36 GLU HG2 H 1 2.37 . . 1 . . . . . . . . 4856 2 205 . 1 1 36 36 GLU HG3 H 1 2.37 . . 1 . . . . . . . . 4856 2 206 . 1 1 36 36 GLU CA C 13 59.2 . . 1 . . . . . . . . 4856 2 207 . 1 1 36 36 GLU CB C 13 28.9 . . 1 . . . . . . . . 4856 2 208 . 1 1 36 36 GLU CG C 13 35.2 . . 1 . . . . . . . . 4856 2 209 . 1 1 36 36 GLU N N 15 119.0 . . 1 . . . . . . . . 4856 2 210 . 1 1 37 37 LEU H H 1 8.00 . . 1 . . . . . . . . 4856 2 211 . 1 1 37 37 LEU HA H 1 4.61 . . 1 . . . . . . . . 4856 2 212 . 1 1 37 37 LEU HB2 H 1 1.69 . . 4 . . . . . . . . 4856 2 213 . 1 1 37 37 LEU HB3 H 1 1.69 . . 4 . . . . . . . . 4856 2 214 . 1 1 37 37 LEU HG H 1 1.69 . . 4 . . . . . . . . 4856 2 215 . 1 1 37 37 LEU HD11 H 1 1.69 . . 4 . . . . . . . . 4856 2 216 . 1 1 37 37 LEU HD12 H 1 1.69 . . 4 . . . . . . . . 4856 2 217 . 1 1 37 37 LEU HD13 H 1 1.69 . . 4 . . . . . . . . 4856 2 218 . 1 1 37 37 LEU HD21 H 1 1.69 . . 4 . . . . . . . . 4856 2 219 . 1 1 37 37 LEU HD22 H 1 1.69 . . 4 . . . . . . . . 4856 2 220 . 1 1 37 37 LEU HD23 H 1 1.69 . . 4 . . . . . . . . 4856 2 221 . 1 1 37 37 LEU CA C 13 59.1 . . 1 . . . . . . . . 4856 2 222 . 1 1 37 37 LEU CB C 13 41.7 . . 1 . . . . . . . . 4856 2 223 . 1 1 37 37 LEU N N 15 122.0 . . 1 . . . . . . . . 4856 2 224 . 1 1 38 38 LEU H H 1 8.16 . . 1 . . . . . . . . 4856 2 225 . 1 1 38 38 LEU HA H 1 3.55 . . 1 . . . . . . . . 4856 2 226 . 1 1 38 38 LEU HB2 H 1 1.88 . . 1 . . . . . . . . 4856 2 227 . 1 1 38 38 LEU HB3 H 1 1.88 . . 1 . . . . . . . . 4856 2 228 . 1 1 38 38 LEU CA C 13 58.17 . . 1 . . . . . . . . 4856 2 229 . 1 1 38 38 LEU CB C 13 41.55 . . 1 . . . . . . . . 4856 2 230 . 1 1 38 38 LEU N N 15 118.7 . . 1 . . . . . . . . 4856 2 231 . 1 1 39 39 HIS H H 1 7.66 . . 1 . . . . . . . . 4856 2 232 . 1 1 39 39 HIS HA H 1 4.07 . . 1 . . . . . . . . 4856 2 233 . 1 1 39 39 HIS HB2 H 1 3.09 . . 1 . . . . . . . . 4856 2 234 . 1 1 39 39 HIS HB3 H 1 3.09 . . 1 . . . . . . . . 4856 2 235 . 1 1 39 39 HIS CA C 13 59.3 . . 1 . . . . . . . . 4856 2 236 . 1 1 39 39 HIS CB C 13 29.3 . . 1 . . . . . . . . 4856 2 237 . 1 1 39 39 HIS N N 15 113.9 . . 1 . . . . . . . . 4856 2 238 . 1 1 40 40 LYS H H 1 8.34 . . 1 . . . . . . . . 4856 2 239 . 1 1 40 40 LYS HA H 1 4.10 . . 1 . . . . . . . . 4856 2 240 . 1 1 40 40 LYS HB2 H 1 2.04 . . 1 . . . . . . . . 4856 2 241 . 1 1 40 40 LYS HB3 H 1 2.04 . . 1 . . . . . . . . 4856 2 242 . 1 1 40 40 LYS HG2 H 1 1.74 . . 4 . . . . . . . . 4856 2 243 . 1 1 40 40 LYS HG3 H 1 1.74 . . 4 . . . . . . . . 4856 2 244 . 1 1 40 40 LYS HD2 H 1 1.47 . . 4 . . . . . . . . 4856 2 245 . 1 1 40 40 LYS HD3 H 1 1.47 . . 4 . . . . . . . . 4856 2 246 . 1 1 40 40 LYS HE2 H 1 3.00 . . 1 . . . . . . . . 4856 2 247 . 1 1 40 40 LYS HE3 H 1 3.00 . . 1 . . . . . . . . 4856 2 248 . 1 1 40 40 LYS CA C 13 58.1 . . 1 . . . . . . . . 4856 2 249 . 1 1 40 40 LYS CB C 13 33.4 . . 1 . . . . . . . . 4856 2 250 . 1 1 40 40 LYS CG C 13 25.4 . . 1 . . . . . . . . 4856 2 251 . 1 1 40 40 LYS CD C 13 28.4 . . 1 . . . . . . . . 4856 2 252 . 1 1 40 40 LYS CE C 13 41.9 . . 1 . . . . . . . . 4856 2 253 . 1 1 40 40 LYS N N 15 116.0 . . 1 . . . . . . . . 4856 2 254 . 1 1 41 41 GLU H H 1 8.77 . . 1 . . . . . . . . 4856 2 255 . 1 1 41 41 GLU HA H 1 4.66 . . 1 . . . . . . . . 4856 2 256 . 1 1 41 41 GLU HB2 H 1 1.94 . . 1 . . . . . . . . 4856 2 257 . 1 1 41 41 GLU HB3 H 1 1.94 . . 1 . . . . . . . . 4856 2 258 . 1 1 41 41 GLU CA C 13 55.4 . . 1 . . . . . . . . 4856 2 259 . 1 1 41 41 GLU CB C 13 30.3 . . 1 . . . . . . . . 4856 2 260 . 1 1 41 41 GLU CG C 13 34.9 . . 1 . . . . . . . . 4856 2 261 . 1 1 42 42 LEU H H 1 7.26 . . 1 . . . . . . . . 4856 2 262 . 1 1 42 42 LEU HA H 1 5.08 . . 1 . . . . . . . . 4856 2 263 . 1 1 42 42 LEU HB2 H 1 2.12 . . 1 . . . . . . . . 4856 2 264 . 1 1 42 42 LEU CA C 13 52.6 . . 1 . . . . . . . . 4856 2 265 . 1 1 42 42 LEU CB C 13 41.3 . . 1 . . . . . . . . 4856 2 266 . 1 1 42 42 LEU N N 15 118.2 . . 1 . . . . . . . . 4856 2 267 . 1 1 45 45 PHE H H 1 8.08 . . 1 . . . . . . . . 4856 2 268 . 1 1 45 45 PHE HA H 1 4.44 . . 1 . . . . . . . . 4856 2 269 . 1 1 45 45 PHE HB2 H 1 2.97 . . 2 . . . . . . . . 4856 2 270 . 1 1 45 45 PHE HB3 H 1 3.07 . . 2 . . . . . . . . 4856 2 271 . 1 1 45 45 PHE CA C 13 57.6 . . 1 . . . . . . . . 4856 2 272 . 1 1 45 45 PHE CB C 13 38.3 . . 1 . . . . . . . . 4856 2 273 . 1 1 45 45 PHE N N 15 122.2 . . 1 . . . . . . . . 4856 2 274 . 1 1 46 46 VAL H H 1 7.78 . . 1 . . . . . . . . 4856 2 275 . 1 1 46 46 VAL HA H 1 3.99 . . 1 . . . . . . . . 4856 2 276 . 1 1 46 46 VAL HB H 1 2.07 . . 1 . . . . . . . . 4856 2 277 . 1 1 46 46 VAL HG11 H 1 0.76 . . 2 . . . . . . . . 4856 2 278 . 1 1 46 46 VAL HG12 H 1 0.76 . . 2 . . . . . . . . 4856 2 279 . 1 1 46 46 VAL HG13 H 1 0.76 . . 2 . . . . . . . . 4856 2 280 . 1 1 46 46 VAL HG21 H 1 0.64 . . 2 . . . . . . . . 4856 2 281 . 1 1 46 46 VAL HG22 H 1 0.64 . . 2 . . . . . . . . 4856 2 282 . 1 1 46 46 VAL HG23 H 1 0.64 . . 2 . . . . . . . . 4856 2 283 . 1 1 46 46 VAL CA C 13 62.5 . . 1 . . . . . . . . 4856 2 284 . 1 1 46 46 VAL CB C 13 32.1 . . 1 . . . . . . . . 4856 2 285 . 1 1 46 46 VAL CG1 C 13 20.7 . . 1 . . . . . . . . 4856 2 286 . 1 1 46 46 VAL CG2 C 13 20.7 . . 1 . . . . . . . . 4856 2 287 . 1 1 46 46 VAL N N 15 114.2 . . 1 . . . . . . . . 4856 2 288 . 1 1 47 47 GLY H H 1 7.85 . . 1 . . . . . . . . 4856 2 289 . 1 1 47 47 GLY HA2 H 1 3.93 . . 2 . . . . . . . . 4856 2 290 . 1 1 47 47 GLY HA3 H 1 4.07 . . 2 . . . . . . . . 4856 2 291 . 1 1 47 47 GLY CA C 13 46.2 . . 1 . . . . . . . . 4856 2 292 . 1 1 47 47 GLY N N 15 108.4 . . 1 . . . . . . . . 4856 2 293 . 1 1 48 48 GLU H H 1 8.02 . . 1 . . . . . . . . 4856 2 294 . 1 1 48 48 GLU HA H 1 4.31 . . 1 . . . . . . . . 4856 2 295 . 1 1 48 48 GLU HB2 H 1 2.05 . . 1 . . . . . . . . 4856 2 296 . 1 1 48 48 GLU HB3 H 1 2.05 . . 1 . . . . . . . . 4856 2 297 . 1 1 48 48 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 4856 2 298 . 1 1 48 48 GLU HG3 H 1 2.25 . . 1 . . . . . . . . 4856 2 299 . 1 1 48 48 GLU CA C 13 57.5 . . 1 . . . . . . . . 4856 2 300 . 1 1 48 48 GLU CB C 13 29.9 . . 1 . . . . . . . . 4856 2 301 . 1 1 48 48 GLU CG C 13 36.0 . . 1 . . . . . . . . 4856 2 302 . 1 1 48 48 GLU N N 15 118.0 . . 1 . . . . . . . . 4856 2 303 . 1 1 49 49 LYS H H 1 7.92 . . 1 . . . . . . . . 4856 2 304 . 1 1 49 49 LYS HA H 1 4.44 . . 1 . . . . . . . . 4856 2 305 . 1 1 49 49 LYS HB2 H 1 1.67 . . 2 . . . . . . . . 4856 2 306 . 1 1 49 49 LYS HB3 H 1 1.83 . . 2 . . . . . . . . 4856 2 307 . 1 1 49 49 LYS HG2 H 1 1.56 . . 4 . . . . . . . . 4856 2 308 . 1 1 49 49 LYS HG3 H 1 1.56 . . 4 . . . . . . . . 4856 2 309 . 1 1 49 49 LYS HD2 H 1 1.28 . . 4 . . . . . . . . 4856 2 310 . 1 1 49 49 LYS HD3 H 1 1.28 . . 4 . . . . . . . . 4856 2 311 . 1 1 49 49 LYS HE2 H 1 2.86 . . 1 . . . . . . . . 4856 2 312 . 1 1 49 49 LYS HE3 H 1 2.86 . . 1 . . . . . . . . 4856 2 313 . 1 1 49 49 LYS CA C 13 55.9 . . 1 . . . . . . . . 4856 2 314 . 1 1 49 49 LYS CB C 13 32.7 . . 1 . . . . . . . . 4856 2 315 . 1 1 49 49 LYS CG C 13 24.1 . . 4 . . . . . . . . 4856 2 316 . 1 1 49 49 LYS CD C 13 28.3 . . 4 . . . . . . . . 4856 2 317 . 1 1 49 49 LYS CE C 13 42.2 . . 1 . . . . . . . . 4856 2 318 . 1 1 49 49 LYS N N 15 118.3 . . 1 . . . . . . . . 4856 2 319 . 1 1 50 50 VAL H H 1 7.50 . . 1 . . . . . . . . 4856 2 320 . 1 1 50 50 VAL HA H 1 4.08 . . 1 . . . . . . . . 4856 2 321 . 1 1 50 50 VAL HB H 1 2.09 . . 1 . . . . . . . . 4856 2 322 . 1 1 50 50 VAL HG11 H 1 0.90 . . 1 . . . . . . . . 4856 2 323 . 1 1 50 50 VAL HG12 H 1 0.90 . . 1 . . . . . . . . 4856 2 324 . 1 1 50 50 VAL HG13 H 1 0.90 . . 1 . . . . . . . . 4856 2 325 . 1 1 50 50 VAL HG21 H 1 0.90 . . 1 . . . . . . . . 4856 2 326 . 1 1 50 50 VAL HG22 H 1 0.90 . . 1 . . . . . . . . 4856 2 327 . 1 1 50 50 VAL HG23 H 1 0.90 . . 1 . . . . . . . . 4856 2 328 . 1 1 50 50 VAL CA C 13 62.3 . . 1 . . . . . . . . 4856 2 329 . 1 1 50 50 VAL CB C 13 32.6 . . 1 . . . . . . . . 4856 2 330 . 1 1 50 50 VAL CG1 C 13 20.5 . . 1 . . . . . . . . 4856 2 331 . 1 1 50 50 VAL CG2 C 13 20.5 . . 1 . . . . . . . . 4856 2 332 . 1 1 50 50 VAL N N 15 117.8 . . 1 . . . . . . . . 4856 2 333 . 1 1 51 51 ASP H H 1 8.16 . . 1 . . . . . . . . 4856 2 334 . 1 1 51 51 ASP HA H 1 4.69 . . 1 . . . . . . . . 4856 2 335 . 1 1 51 51 ASP HB2 H 1 2.60 . . 2 . . . . . . . . 4856 2 336 . 1 1 51 51 ASP HB3 H 1 2.81 . . 2 . . . . . . . . 4856 2 337 . 1 1 51 51 ASP CA C 13 53.5 . . 1 . . . . . . . . 4856 2 338 . 1 1 51 51 ASP CB C 13 40.9 . . 1 . . . . . . . . 4856 2 339 . 1 1 51 51 ASP N N 15 121.2 . . 1 . . . . . . . . 4856 2 340 . 1 1 52 52 GLU H H 1 8.02 . . 1 . . . . . . . . 4856 2 341 . 1 1 52 52 GLU HA H 1 4.07 . . 1 . . . . . . . . 4856 2 342 . 1 1 52 52 GLU HB2 H 1 2.15 . . 1 . . . . . . . . 4856 2 343 . 1 1 52 52 GLU HB3 H 1 2.15 . . 1 . . . . . . . . 4856 2 344 . 1 1 52 52 GLU HG2 H 1 2.26 . . 2 . . . . . . . . 4856 2 345 . 1 1 52 52 GLU HG3 H 1 2.37 . . 2 . . . . . . . . 4856 2 346 . 1 1 52 52 GLU CA C 13 57.9 . . 1 . . . . . . . . 4856 2 347 . 1 1 52 52 GLU CB C 13 29.7 . . 1 . . . . . . . . 4856 2 348 . 1 1 52 52 GLU CG C 13 36.4 . . 1 . . . . . . . . 4856 2 349 . 1 1 52 52 GLU N N 15 123.1 . . 1 . . . . . . . . 4856 2 350 . 1 1 53 53 GLU H H 1 8.71 . . 1 . . . . . . . . 4856 2 351 . 1 1 53 53 GLU HA H 1 3.90 . . 1 . . . . . . . . 4856 2 352 . 1 1 53 53 GLU HB2 H 1 2.00 . . 1 . . . . . . . . 4856 2 353 . 1 1 53 53 GLU HB3 H 1 2.00 . . 1 . . . . . . . . 4856 2 354 . 1 1 53 53 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 4856 2 355 . 1 1 53 53 GLU HG3 H 1 2.25 . . 1 . . . . . . . . 4856 2 356 . 1 1 53 53 GLU CA C 13 59.4 . . 1 . . . . . . . . 4856 2 357 . 1 1 53 53 GLU CB C 13 29.3 . . 1 . . . . . . . . 4856 2 358 . 1 1 53 53 GLU CG C 13 35.6 . . 1 . . . . . . . . 4856 2 359 . 1 1 53 53 GLU N N 15 123.1 . . 1 . . . . . . . . 4856 2 360 . 1 1 54 54 GLY H H 1 8.84 . . 1 . . . . . . . . 4856 2 361 . 1 1 54 54 GLY HA2 H 1 3.78 . . 2 . . . . . . . . 4856 2 362 . 1 1 54 54 GLY HA3 H 1 3.93 . . 2 . . . . . . . . 4856 2 363 . 1 1 54 54 GLY CA C 13 47.2 . . 1 . . . . . . . . 4856 2 364 . 1 1 54 54 GLY N N 15 108.3 . . 1 . . . . . . . . 4856 2 365 . 1 1 55 55 LEU H H 1 7.90 . . 1 . . . . . . . . 4856 2 366 . 1 1 55 55 LEU CA C 13 57.3 . . 1 . . . . . . . . 4856 2 367 . 1 1 55 55 LEU CB C 13 41.5 . . 1 . . . . . . . . 4856 2 368 . 1 1 55 55 LEU N N 15 124.0 . . 1 . . . . . . . . 4856 2 369 . 1 1 56 56 LYS H H 1 8.22 . . 1 . . . . . . . . 4856 2 370 . 1 1 56 56 LYS HA H 1 3.85 . . 1 . . . . . . . . 4856 2 371 . 1 1 56 56 LYS HB2 H 1 1.80 . . 4 . . . . . . . . 4856 2 372 . 1 1 56 56 LYS HB3 H 1 1.80 . . 4 . . . . . . . . 4856 2 373 . 1 1 56 56 LYS HG2 H 1 1.80 . . 4 . . . . . . . . 4856 2 374 . 1 1 56 56 LYS HG3 H 1 1.80 . . 4 . . . . . . . . 4856 2 375 . 1 1 56 56 LYS HD2 H 1 1.80 . . 4 . . . . . . . . 4856 2 376 . 1 1 56 56 LYS HD3 H 1 1.80 . . 4 . . . . . . . . 4856 2 377 . 1 1 56 56 LYS CA C 13 59.7 . . 1 . . . . . . . . 4856 2 378 . 1 1 56 56 LYS CB C 13 31.8 . . 1 . . . . . . . . 4856 2 379 . 1 1 56 56 LYS CG C 13 24.5 . . 4 . . . . . . . . 4856 2 380 . 1 1 56 56 LYS CD C 13 24.5 . . 4 . . . . . . . . 4856 2 381 . 1 1 56 56 LYS N N 15 120.0 . . 1 . . . . . . . . 4856 2 382 . 1 1 57 57 LYS H H 1 7.96 . . 1 . . . . . . . . 4856 2 383 . 1 1 57 57 LYS HA H 1 4.01 . . 1 . . . . . . . . 4856 2 384 . 1 1 57 57 LYS HB2 H 1 1.84 . . 1 . . . . . . . . 4856 2 385 . 1 1 57 57 LYS HB3 H 1 1.84 . . 1 . . . . . . . . 4856 2 386 . 1 1 57 57 LYS HG2 H 1 1.59 . . 4 . . . . . . . . 4856 2 387 . 1 1 57 57 LYS HG3 H 1 1.59 . . 4 . . . . . . . . 4856 2 388 . 1 1 57 57 LYS HD2 H 1 1.33 . . 4 . . . . . . . . 4856 2 389 . 1 1 57 57 LYS HD3 H 1 1.48 . . 4 . . . . . . . . 4856 2 390 . 1 1 57 57 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 4856 2 391 . 1 1 57 57 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 4856 2 392 . 1 1 57 57 LYS CA C 13 59.2 . . 1 . . . . . . . . 4856 2 393 . 1 1 57 57 LYS CB C 13 31.9 . . 1 . . . . . . . . 4856 2 394 . 1 1 57 57 LYS CG C 13 24.3 . . 1 . . . . . . . . 4856 2 395 . 1 1 57 57 LYS CD C 13 28.7 . . 1 . . . . . . . . 4856 2 396 . 1 1 57 57 LYS CE C 13 41.6 . . 1 . . . . . . . . 4856 2 397 . 1 1 57 57 LYS N N 15 119.8 . . 1 . . . . . . . . 4856 2 398 . 1 1 58 58 LEU H H 1 7.64 . . 1 . . . . . . . . 4856 2 399 . 1 1 58 58 LEU HA H 1 4.13 . . 1 . . . . . . . . 4856 2 400 . 1 1 58 58 LEU HB2 H 1 1.70 . . 4 . . . . . . . . 4856 2 401 . 1 1 58 58 LEU HB3 H 1 1.70 . . 4 . . . . . . . . 4856 2 402 . 1 1 58 58 LEU HG H 1 1.70 . . 4 . . . . . . . . 4856 2 403 . 1 1 58 58 LEU CA C 13 58.1 . . 1 . . . . . . . . 4856 2 404 . 1 1 58 58 LEU CG C 13 24.3 . . 1 . . . . . . . . 4856 2 405 . 1 1 58 58 LEU N N 15 121.5 . . 1 . . . . . . . . 4856 2 406 . 1 1 59 59 MET H H 1 8.85 . . 1 . . . . . . . . 4856 2 407 . 1 1 59 59 MET HA H 1 4.28 . . 1 . . . . . . . . 4856 2 408 . 1 1 59 59 MET HB2 H 1 2.14 . . 1 . . . . . . . . 4856 2 409 . 1 1 59 59 MET HB3 H 1 2.14 . . 1 . . . . . . . . 4856 2 410 . 1 1 59 59 MET HG2 H 1 2.50 . . 2 . . . . . . . . 4856 2 411 . 1 1 59 59 MET HG3 H 1 2.70 . . 2 . . . . . . . . 4856 2 412 . 1 1 59 59 MET CA C 13 57.3 . . 1 . . . . . . . . 4856 2 413 . 1 1 59 59 MET CB C 13 30.8 . . 1 . . . . . . . . 4856 2 414 . 1 1 59 59 MET CG C 13 32.5 . . 1 . . . . . . . . 4856 2 415 . 1 1 59 59 MET N N 15 117.7 . . 1 . . . . . . . . 4856 2 416 . 1 1 60 60 GLY H H 1 8.28 . . 1 . . . . . . . . 4856 2 417 . 1 1 60 60 GLY HA2 H 1 3.96 . . 1 . . . . . . . . 4856 2 418 . 1 1 60 60 GLY HA3 H 1 3.96 . . 1 . . . . . . . . 4856 2 419 . 1 1 60 60 GLY CA C 13 46.5 . . 1 . . . . . . . . 4856 2 420 . 1 1 60 60 GLY N N 15 107.8 . . 1 . . . . . . . . 4856 2 421 . 1 1 61 61 SER H H 1 7.78 . . 1 . . . . . . . . 4856 2 422 . 1 1 61 61 SER HA H 1 4.73 . . 1 . . . . . . . . 4856 2 423 . 1 1 61 61 SER HB2 H 1 4.12 . . 1 . . . . . . . . 4856 2 424 . 1 1 61 61 SER HB3 H 1 4.12 . . 1 . . . . . . . . 4856 2 425 . 1 1 61 61 SER CA C 13 61.1 . . 1 . . . . . . . . 4856 2 426 . 1 1 61 61 SER CB C 13 62.7 . . 1 . . . . . . . . 4856 2 427 . 1 1 61 61 SER N N 15 117.3 . . 1 . . . . . . . . 4856 2 428 . 1 1 62 62 LEU H H 1 7.53 . . 1 . . . . . . . . 4856 2 429 . 1 1 62 62 LEU HA H 1 4.14 . . 1 . . . . . . . . 4856 2 430 . 1 1 62 62 LEU HB2 H 1 1.90 . . 4 . . . . . . . . 4856 2 431 . 1 1 62 62 LEU HB3 H 1 1.77 . . 4 . . . . . . . . 4856 2 432 . 1 1 62 62 LEU HG H 1 1.77 . . 4 . . . . . . . . 4856 2 433 . 1 1 62 62 LEU HD11 H 1 1.77 . . 4 . . . . . . . . 4856 2 434 . 1 1 62 62 LEU HD12 H 1 1.77 . . 4 . . . . . . . . 4856 2 435 . 1 1 62 62 LEU HD13 H 1 1.77 . . 4 . . . . . . . . 4856 2 436 . 1 1 62 62 LEU HD21 H 1 1.77 . . 4 . . . . . . . . 4856 2 437 . 1 1 62 62 LEU HD22 H 1 1.77 . . 4 . . . . . . . . 4856 2 438 . 1 1 62 62 LEU HD23 H 1 1.77 . . 4 . . . . . . . . 4856 2 439 . 1 1 62 62 LEU CA C 13 56.3 . . 1 . . . . . . . . 4856 2 440 . 1 1 62 62 LEU CB C 13 40.4 . . 1 . . . . . . . . 4856 2 441 . 1 1 62 62 LEU N N 15 121.5 . . 1 . . . . . . . . 4856 2 442 . 1 1 63 63 ASP H H 1 7.39 . . 1 . . . . . . . . 4856 2 443 . 1 1 63 63 ASP HA H 1 4.47 . . 1 . . . . . . . . 4856 2 444 . 1 1 63 63 ASP HB2 H 1 2.60 . . 2 . . . . . . . . 4856 2 445 . 1 1 63 63 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 4856 2 446 . 1 1 63 63 ASP CA C 13 55.1 . . 1 . . . . . . . . 4856 2 447 . 1 1 63 63 ASP CB C 13 41.1 . . 1 . . . . . . . . 4856 2 448 . 1 1 63 63 ASP N N 15 116.2 . . 1 . . . . . . . . 4856 2 449 . 1 1 64 64 GLU H H 1 7.47 . . 1 . . . . . . . . 4856 2 450 . 1 1 64 64 GLU HA H 1 4.18 . . 1 . . . . . . . . 4856 2 451 . 1 1 64 64 GLU HB2 H 1 1.98 . . 1 . . . . . . . . 4856 2 452 . 1 1 64 64 GLU HB3 H 1 1.98 . . 1 . . . . . . . . 4856 2 453 . 1 1 64 64 GLU HG2 H 1 2.18 . . 1 . . . . . . . . 4856 2 454 . 1 1 64 64 GLU HG3 H 1 2.18 . . 1 . . . . . . . . 4856 2 455 . 1 1 64 64 GLU CA C 13 56.2 . . 1 . . . . . . . . 4856 2 456 . 1 1 64 64 GLU CB C 13 30.2 . . 1 . . . . . . . . 4856 2 457 . 1 1 64 64 GLU CG C 13 35.7 . . 1 . . . . . . . . 4856 2 458 . 1 1 64 64 GLU N N 15 119.5 . . 1 . . . . . . . . 4856 2 459 . 1 1 65 65 ASN H H 1 8.35 . . 1 . . . . . . . . 4856 2 460 . 1 1 65 65 ASN HA H 1 4.70 . . 1 . . . . . . . . 4856 2 461 . 1 1 65 65 ASN HB2 H 1 2.89 . . 2 . . . . . . . . 4856 2 462 . 1 1 65 65 ASN HB3 H 1 2.73 . . 2 . . . . . . . . 4856 2 463 . 1 1 65 65 ASN CA C 13 53.3 . . 1 . . . . . . . . 4856 2 464 . 1 1 65 65 ASN CB C 13 37.8 . . 1 . . . . . . . . 4856 2 465 . 1 1 65 65 ASN N N 15 118.7 . . 1 . . . . . . . . 4856 2 466 . 1 1 66 66 SER H H 1 8.02 . . 1 . . . . . . . . 4856 2 467 . 1 1 66 66 SER HA H 1 4.73 . . 1 . . . . . . . . 4856 2 468 . 1 1 66 66 SER HB2 H 1 4.12 . . 1 . . . . . . . . 4856 2 469 . 1 1 66 66 SER HB3 H 1 4.12 . . 1 . . . . . . . . 4856 2 470 . 1 1 66 66 SER CA C 13 61.1 . . 1 . . . . . . . . 4856 2 471 . 1 1 66 66 SER CB C 13 63.3 . . 1 . . . . . . . . 4856 2 472 . 1 1 66 66 SER N N 15 115.2 . . 1 . . . . . . . . 4856 2 473 . 1 1 67 67 ASP H H 1 8.57 . . 1 . . . . . . . . 4856 2 474 . 1 1 67 67 ASP HA H 1 4.65 . . 1 . . . . . . . . 4856 2 475 . 1 1 67 67 ASP HB2 H 1 2.70 . . 1 . . . . . . . . 4856 2 476 . 1 1 67 67 ASP HB3 H 1 2.70 . . 1 . . . . . . . . 4856 2 477 . 1 1 67 67 ASP CA C 13 54.1 . . 1 . . . . . . . . 4856 2 478 . 1 1 67 67 ASP CB C 13 40.2 . . 1 . . . . . . . . 4856 2 479 . 1 1 67 67 ASP N N 15 118.3 . . 1 . . . . . . . . 4856 2 480 . 1 1 68 68 GLN H H 1 7.90 . . 1 . . . . . . . . 4856 2 481 . 1 1 68 68 GLN HA H 1 4.23 . . 1 . . . . . . . . 4856 2 482 . 1 1 68 68 GLN HB2 H 1 2.11 . . 1 . . . . . . . . 4856 2 483 . 1 1 68 68 GLN HB3 H 1 2.11 . . 1 . . . . . . . . 4856 2 484 . 1 1 68 68 GLN HG2 H 1 2.49 . . 1 . . . . . . . . 4856 2 485 . 1 1 68 68 GLN HG3 H 1 2.49 . . 1 . . . . . . . . 4856 2 486 . 1 1 68 68 GLN CA C 13 56.1 . . 1 . . . . . . . . 4856 2 487 . 1 1 68 68 GLN CB C 13 29.1 . . 1 . . . . . . . . 4856 2 488 . 1 1 68 68 GLN CG C 13 33.6 . . 1 . . . . . . . . 4856 2 489 . 1 1 68 68 GLN N N 15 120.9 . . 1 . . . . . . . . 4856 2 490 . 1 1 69 69 GLN H H 1 8.49 . . 1 . . . . . . . . 4856 2 491 . 1 1 69 69 GLN HA H 1 4.69 . . 1 . . . . . . . . 4856 2 492 . 1 1 69 69 GLN HB2 H 1 1.95 . . 1 . . . . . . . . 4856 2 493 . 1 1 69 69 GLN HB3 H 1 1.95 . . 1 . . . . . . . . 4856 2 494 . 1 1 69 69 GLN HG2 H 1 2.20 . . 2 . . . . . . . . 4856 2 495 . 1 1 69 69 GLN HG3 H 1 2.40 . . 2 . . . . . . . . 4856 2 496 . 1 1 69 69 GLN CA C 13 55.4 . . 1 . . . . . . . . 4856 2 497 . 1 1 69 69 GLN CB C 13 30.9 . . 1 . . . . . . . . 4856 2 498 . 1 1 69 69 GLN CG C 13 33.6 . . 1 . . . . . . . . 4856 2 499 . 1 1 69 69 GLN N N 15 121.1 . . 1 . . . . . . . . 4856 2 500 . 1 1 70 70 VAL H H 1 9.40 . . 1 . . . . . . . . 4856 2 501 . 1 1 70 70 VAL HA H 1 4.55 . . 1 . . . . . . . . 4856 2 502 . 1 1 70 70 VAL HB H 1 2.08 . . 1 . . . . . . . . 4856 2 503 . 1 1 70 70 VAL HG11 H 1 0.81 . . 2 . . . . . . . . 4856 2 504 . 1 1 70 70 VAL HG12 H 1 0.81 . . 2 . . . . . . . . 4856 2 505 . 1 1 70 70 VAL HG13 H 1 0.81 . . 2 . . . . . . . . 4856 2 506 . 1 1 70 70 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4856 2 507 . 1 1 70 70 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4856 2 508 . 1 1 70 70 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4856 2 509 . 1 1 70 70 VAL CA C 13 60.7 . . 1 . . . . . . . . 4856 2 510 . 1 1 70 70 VAL CB C 13 33.7 . . 1 . . . . . . . . 4856 2 511 . 1 1 70 70 VAL CG1 C 13 19.9 . . 2 . . . . . . . . 4856 2 512 . 1 1 70 70 VAL CG2 C 13 21.1 . . 2 . . . . . . . . 4856 2 513 . 1 1 70 70 VAL N N 15 121.5 . . 1 . . . . . . . . 4856 2 514 . 1 1 71 71 ASP H H 1 8.56 . . 1 . . . . . . . . 4856 2 515 . 1 1 71 71 ASP HA H 1 5.25 . . 1 . . . . . . . . 4856 2 516 . 1 1 71 71 ASP HB2 H 1 2.70 . . 2 . . . . . . . . 4856 2 517 . 1 1 71 71 ASP HB3 H 1 3.27 . . 2 . . . . . . . . 4856 2 518 . 1 1 71 71 ASP CA C 13 51.8 . . 1 . . . . . . . . 4856 2 519 . 1 1 71 71 ASP CB C 13 41.9 . . 1 . . . . . . . . 4856 2 520 . 1 1 71 71 ASP N N 15 124.0 . . 1 . . . . . . . . 4856 2 521 . 1 1 72 72 PHE H H 1 9.05 . . 1 . . . . . . . . 4856 2 522 . 1 1 72 72 PHE HA H 1 3.39 . . 1 . . . . . . . . 4856 2 523 . 1 1 72 72 PHE HB2 H 1 2.49 . . 2 . . . . . . . . 4856 2 524 . 1 1 72 72 PHE HB3 H 1 2.69 . . 2 . . . . . . . . 4856 2 525 . 1 1 72 72 PHE CA C 13 62.2 . . 1 . . . . . . . . 4856 2 526 . 1 1 72 72 PHE N N 15 119.3 . . 1 . . . . . . . . 4856 2 527 . 1 1 73 73 GLN H H 1 8.21 . . 1 . . . . . . . . 4856 2 528 . 1 1 73 73 GLN HA H 1 3.52 . . 1 . . . . . . . . 4856 2 529 . 1 1 73 73 GLN HB2 H 1 2.06 . . 1 . . . . . . . . 4856 2 530 . 1 1 73 73 GLN HB3 H 1 2.06 . . 1 . . . . . . . . 4856 2 531 . 1 1 73 73 GLN HG2 H 1 2.15 . . 2 . . . . . . . . 4856 2 532 . 1 1 73 73 GLN HG3 H 1 2.20 . . 2 . . . . . . . . 4856 2 533 . 1 1 73 73 GLN CA C 13 59.8 . . 1 . . . . . . . . 4856 2 534 . 1 1 73 73 GLN CB C 13 27.9 . . 1 . . . . . . . . 4856 2 535 . 1 1 73 73 GLN CG C 13 34.2 . . 1 . . . . . . . . 4856 2 536 . 1 1 73 73 GLN N N 15 116.6 . . 1 . . . . . . . . 4856 2 537 . 1 1 74 74 GLU H H 1 8.11 . . 1 . . . . . . . . 4856 2 538 . 1 1 74 74 GLU HA H 1 3.90 . . 1 . . . . . . . . 4856 2 539 . 1 1 74 74 GLU HB2 H 1 2.24 . . 1 . . . . . . . . 4856 2 540 . 1 1 74 74 GLU HB3 H 1 2.24 . . 1 . . . . . . . . 4856 2 541 . 1 1 74 74 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 4856 2 542 . 1 1 74 74 GLU HG3 H 1 2.42 . . 1 . . . . . . . . 4856 2 543 . 1 1 74 74 GLU CA C 13 59.2 . . 1 . . . . . . . . 4856 2 544 . 1 1 74 74 GLU CB C 13 29.6 . . 1 . . . . . . . . 4856 2 545 . 1 1 74 74 GLU N N 15 119.7 . . 1 . . . . . . . . 4856 2 546 . 1 1 75 75 TYR H H 1 8.35 . . 1 . . . . . . . . 4856 2 547 . 1 1 75 75 TYR HA H 1 4.22 . . 1 . . . . . . . . 4856 2 548 . 1 1 75 75 TYR HB2 H 1 2.94 . . 2 . . . . . . . . 4856 2 549 . 1 1 75 75 TYR HB3 H 1 3.12 . . 2 . . . . . . . . 4856 2 550 . 1 1 75 75 TYR CA C 13 60.0 . . 1 . . . . . . . . 4856 2 551 . 1 1 75 75 TYR CB C 13 36.8 . . 1 . . . . . . . . 4856 2 552 . 1 1 75 75 TYR N N 15 123.2 . . 1 . . . . . . . . 4856 2 553 . 1 1 76 76 ALA H H 1 8.08 . . 1 . . . . . . . . 4856 2 554 . 1 1 76 76 ALA HA H 1 3.23 . . 1 . . . . . . . . 4856 2 555 . 1 1 76 76 ALA HB1 H 1 0.89 . . 1 . . . . . . . . 4856 2 556 . 1 1 76 76 ALA HB2 H 1 0.89 . . 1 . . . . . . . . 4856 2 557 . 1 1 76 76 ALA HB3 H 1 0.89 . . 1 . . . . . . . . 4856 2 558 . 1 1 76 76 ALA CA C 13 54.9 . . 1 . . . . . . . . 4856 2 559 . 1 1 76 76 ALA CB C 13 17.1 . . 1 . . . . . . . . 4856 2 560 . 1 1 76 76 ALA N N 15 112.8 . . 1 . . . . . . . . 4856 2 561 . 1 1 77 77 VAL H H 1 7.86 . . 1 . . . . . . . . 4856 2 562 . 1 1 77 77 VAL HA H 1 3.30 . . 1 . . . . . . . . 4856 2 563 . 1 1 77 77 VAL HB H 1 2.08 . . 1 . . . . . . . . 4856 2 564 . 1 1 77 77 VAL HG11 H 1 0.77 . . 2 . . . . . . . . 4856 2 565 . 1 1 77 77 VAL HG12 H 1 0.77 . . 2 . . . . . . . . 4856 2 566 . 1 1 77 77 VAL HG13 H 1 0.77 . . 2 . . . . . . . . 4856 2 567 . 1 1 77 77 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 4856 2 568 . 1 1 77 77 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 4856 2 569 . 1 1 77 77 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 4856 2 570 . 1 1 77 77 VAL CA C 13 66.7 . . 1 . . . . . . . . 4856 2 571 . 1 1 77 77 VAL CB C 13 31.3 . . 1 . . . . . . . . 4856 2 572 . 1 1 77 77 VAL CG1 C 13 20.4 . . 2 . . . . . . . . 4856 2 573 . 1 1 77 77 VAL CG2 C 13 23.4 . . 2 . . . . . . . . 4856 2 574 . 1 1 77 77 VAL N N 15 117.9 . . 1 . . . . . . . . 4856 2 575 . 1 1 78 78 PHE H H 1 8.14 . . 1 . . . . . . . . 4856 2 576 . 1 1 78 78 PHE HA H 1 3.93 . . 1 . . . . . . . . 4856 2 577 . 1 1 78 78 PHE HB2 H 1 2.60 . . 2 . . . . . . . . 4856 2 578 . 1 1 78 78 PHE HB3 H 1 2.81 . . 2 . . . . . . . . 4856 2 579 . 1 1 78 78 PHE CA C 13 55.4 . . 1 . . . . . . . . 4856 2 580 . 1 1 78 78 PHE CB C 13 39.3 . . 1 . . . . . . . . 4856 2 581 . 1 1 78 78 PHE N N 15 120.7 . . 1 . . . . . . . . 4856 2 582 . 1 1 79 79 LEU H H 1 8.04 . . 1 . . . . . . . . 4856 2 583 . 1 1 79 79 LEU HA H 1 3.82 . . 1 . . . . . . . . 4856 2 584 . 1 1 79 79 LEU HB2 H 1 2.60 . . 1 . . . . . . . . 4856 2 585 . 1 1 79 79 LEU HB3 H 1 2.60 . . 1 . . . . . . . . 4856 2 586 . 1 1 79 79 LEU CA C 13 57.4 . . 1 . . . . . . . . 4856 2 587 . 1 1 79 79 LEU CB C 13 40.6 . . 1 . . . . . . . . 4856 2 588 . 1 1 79 79 LEU N N 15 115.2 . . 1 . . . . . . . . 4856 2 589 . 1 1 80 80 ALA H H 1 8.42 . . 1 . . . . . . . . 4856 2 590 . 1 1 80 80 ALA HA H 1 3.96 . . 1 . . . . . . . . 4856 2 591 . 1 1 80 80 ALA HB1 H 1 1.30 . . 1 . . . . . . . . 4856 2 592 . 1 1 80 80 ALA HB2 H 1 1.30 . . 1 . . . . . . . . 4856 2 593 . 1 1 80 80 ALA HB3 H 1 1.30 . . 1 . . . . . . . . 4856 2 594 . 1 1 80 80 ALA CA C 13 51.8 . . 1 . . . . . . . . 4856 2 595 . 1 1 80 80 ALA CB C 13 17.6 . . 1 . . . . . . . . 4856 2 596 . 1 1 80 80 ALA N N 15 124.1 . . 1 . . . . . . . . 4856 2 597 . 1 1 81 81 LEU H H 1 8.37 . . 1 . . . . . . . . 4856 2 598 . 1 1 81 81 LEU HA H 1 3.90 . . 1 . . . . . . . . 4856 2 599 . 1 1 81 81 LEU HB2 H 1 1.80 . . 4 . . . . . . . . 4856 2 600 . 1 1 81 81 LEU HB3 H 1 1.33 . . 4 . . . . . . . . 4856 2 601 . 1 1 81 81 LEU HG H 1 1.68 . . 4 . . . . . . . . 4856 2 602 . 1 1 81 81 LEU CA C 13 57.6 . . 1 . . . . . . . . 4856 2 603 . 1 1 81 81 LEU CB C 13 41.3 . . 1 . . . . . . . . 4856 2 604 . 1 1 81 81 LEU N N 15 119.2 . . 1 . . . . . . . . 4856 2 605 . 1 1 82 82 ILE H H 1 8.00 . . 1 . . . . . . . . 4856 2 606 . 1 1 82 82 ILE HA H 1 3.45 . . 1 . . . . . . . . 4856 2 607 . 1 1 82 82 ILE HB H 1 1.76 . . 1 . . . . . . . . 4856 2 608 . 1 1 82 82 ILE HG21 H 1 0.72 . . 4 . . . . . . . . 4856 2 609 . 1 1 82 82 ILE HG22 H 1 0.72 . . 4 . . . . . . . . 4856 2 610 . 1 1 82 82 ILE HG23 H 1 0.72 . . 4 . . . . . . . . 4856 2 611 . 1 1 82 82 ILE HD11 H 1 0.72 . . 4 . . . . . . . . 4856 2 612 . 1 1 82 82 ILE HD12 H 1 0.72 . . 4 . . . . . . . . 4856 2 613 . 1 1 82 82 ILE HD13 H 1 0.72 . . 4 . . . . . . . . 4856 2 614 . 1 1 82 82 ILE CA C 13 64.8 . . 1 . . . . . . . . 4856 2 615 . 1 1 82 82 ILE CB C 13 37.3 . . 1 . . . . . . . . 4856 2 616 . 1 1 82 82 ILE CG2 C 13 16.5 . . 4 . . . . . . . . 4856 2 617 . 1 1 82 82 ILE CD1 C 13 16.5 . . 4 . . . . . . . . 4856 2 618 . 1 1 82 82 ILE N N 15 118.7 . . 1 . . . . . . . . 4856 2 619 . 1 1 83 83 THR H H 1 7.88 . . 1 . . . . . . . . 4856 2 620 . 1 1 83 83 THR HG21 H 1 0.85 . . 1 . . . . . . . . 4856 2 621 . 1 1 83 83 THR HG22 H 1 0.85 . . 1 . . . . . . . . 4856 2 622 . 1 1 83 83 THR HG23 H 1 0.85 . . 1 . . . . . . . . 4856 2 623 . 1 1 83 83 THR CA C 13 68.0 . . 1 . . . . . . . . 4856 2 624 . 1 1 83 83 THR CB C 13 69.1 . . 1 . . . . . . . . 4856 2 625 . 1 1 83 83 THR CG2 C 13 21.4 . . 1 . . . . . . . . 4856 2 626 . 1 1 83 83 THR N N 15 117.2 . . 1 . . . . . . . . 4856 2 627 . 1 1 84 84 VAL H H 1 7.56 . . 1 . . . . . . . . 4856 2 628 . 1 1 84 84 VAL HA H 1 3.31 . . 1 . . . . . . . . 4856 2 629 . 1 1 84 84 VAL HB H 1 1.85 . . 1 . . . . . . . . 4856 2 630 . 1 1 84 84 VAL CA C 13 64.9 . . 1 . . . . . . . . 4856 2 631 . 1 1 84 84 VAL CB C 13 31.6 . . 1 . . . . . . . . 4856 2 632 . 1 1 84 84 VAL CG1 C 13 20.3 . . 1 . . . . . . . . 4856 2 633 . 1 1 84 84 VAL CG2 C 13 20.3 . . 1 . . . . . . . . 4856 2 634 . 1 1 84 84 VAL N N 15 118.0 . . 1 . . . . . . . . 4856 2 635 . 1 1 85 85 MET H H 1 7.50 . . 1 . . . . . . . . 4856 2 636 . 1 1 85 85 MET HA H 1 4.09 . . 1 . . . . . . . . 4856 2 637 . 1 1 85 85 MET HB2 H 1 2.01 . . 1 . . . . . . . . 4856 2 638 . 1 1 85 85 MET HB3 H 1 2.01 . . 1 . . . . . . . . 4856 2 639 . 1 1 85 85 MET HG2 H 1 2.46 . . 2 . . . . . . . . 4856 2 640 . 1 1 85 85 MET HG3 H 1 2.64 . . 2 . . . . . . . . 4856 2 641 . 1 1 85 85 MET CA C 13 57.7 . . 1 . . . . . . . . 4856 2 642 . 1 1 85 85 MET CB C 13 33.4 . . 1 . . . . . . . . 4856 2 643 . 1 1 85 85 MET CG C 13 32.0 . . 1 . . . . . . . . 4856 2 644 . 1 1 85 85 MET N N 15 116.7 . . 1 . . . . . . . . 4856 2 645 . 1 1 86 86 CYS H H 1 7.58 . . 1 . . . . . . . . 4856 2 646 . 1 1 86 86 CYS HA H 1 4.37 . . 1 . . . . . . . . 4856 2 647 . 1 1 86 86 CYS HB2 H 1 2.34 . . 2 . . . . . . . . 4856 2 648 . 1 1 86 86 CYS HB3 H 1 2.45 . . 2 . . . . . . . . 4856 2 649 . 1 1 86 86 CYS CA C 13 59.2 . . 1 . . . . . . . . 4856 2 650 . 1 1 86 86 CYS CB C 13 28.1 . . 1 . . . . . . . . 4856 2 651 . 1 1 86 86 CYS N N 15 115.3 . . 1 . . . . . . . . 4856 2 652 . 1 1 87 87 ASN H H 1 7.98 . . 1 . . . . . . . . 4856 2 653 . 1 1 87 87 ASN CA C 13 55.2 . . 1 . . . . . . . . 4856 2 654 . 1 1 87 87 ASN CB C 13 39.9 . . 1 . . . . . . . . 4856 2 655 . 1 1 87 87 ASN N N 15 120.0 . . 1 . . . . . . . . 4856 2 656 . 1 1 88 88 ASP H H 1 8.56 . . 1 . . . . . . . . 4856 2 657 . 1 1 88 88 ASP HA H 1 4.24 . . 1 . . . . . . . . 4856 2 658 . 1 1 88 88 ASP HB2 H 1 2.47 . . 1 . . . . . . . . 4856 2 659 . 1 1 88 88 ASP HB3 H 1 2.47 . . 1 . . . . . . . . 4856 2 660 . 1 1 88 88 ASP CA C 13 55.9 . . 1 . . . . . . . . 4856 2 661 . 1 1 88 88 ASP CB C 13 39.8 . . 1 . . . . . . . . 4856 2 662 . 1 1 88 88 ASP N N 15 120.8 . . 1 . . . . . . . . 4856 2 663 . 1 1 89 89 PHE H H 1 8.07 . . 1 . . . . . . . . 4856 2 664 . 1 1 89 89 PHE HA H 1 4.54 . . 1 . . . . . . . . 4856 2 665 . 1 1 89 89 PHE CA C 13 59.2 . . 1 . . . . . . . . 4856 2 666 . 1 1 89 89 PHE N N 15 119.1 . . 1 . . . . . . . . 4856 2 667 . 1 1 90 90 PHE H H 1 7.61 . . 1 . . . . . . . . 4856 2 668 . 1 1 90 90 PHE N N 15 115.6 . . 1 . . . . . . . . 4856 2 669 . 1 1 91 91 GLN H H 1 7.68 . . 1 . . . . . . . . 4856 2 670 . 1 1 91 91 GLN HA H 1 4.12 . . 1 . . . . . . . . 4856 2 671 . 1 1 91 91 GLN HB2 H 1 1.94 . . 2 . . . . . . . . 4856 2 672 . 1 1 91 91 GLN HB3 H 1 2.07 . . 2 . . . . . . . . 4856 2 673 . 1 1 91 91 GLN HG2 H 1 2.29 . . 1 . . . . . . . . 4856 2 674 . 1 1 91 91 GLN HG3 H 1 2.29 . . 1 . . . . . . . . 4856 2 675 . 1 1 91 91 GLN CA C 13 56.8 . . 1 . . . . . . . . 4856 2 676 . 1 1 91 91 GLN CG C 13 33.4 . . 1 . . . . . . . . 4856 2 677 . 1 1 91 91 GLN N N 15 119.2 . . 1 . . . . . . . . 4856 2 678 . 1 1 92 92 GLY H H 1 8.23 . . 1 . . . . . . . . 4856 2 679 . 1 1 92 92 GLY HA2 H 1 3.90 . . 1 . . . . . . . . 4856 2 680 . 1 1 92 92 GLY HA3 H 1 3.90 . . 1 . . . . . . . . 4856 2 681 . 1 1 92 92 GLY CA C 13 44.9 . . 1 . . . . . . . . 4856 2 682 . 1 1 92 92 GLY N N 15 109.9 . . 1 . . . . . . . . 4856 2 683 . 1 1 93 93 CYS H H 1 7.99 . . 1 . . . . . . . . 4856 2 684 . 1 1 93 93 CYS HA H 1 4.46 . . 1 . . . . . . . . 4856 2 685 . 1 1 93 93 CYS HB2 H 1 2.52 . . 2 . . . . . . . . 4856 2 686 . 1 1 93 93 CYS HB3 H 1 2.62 . . 2 . . . . . . . . 4856 2 687 . 1 1 93 93 CYS CA C 13 56.6 . . 1 . . . . . . . . 4856 2 688 . 1 1 93 93 CYS CB C 13 26.9 . . 1 . . . . . . . . 4856 2 689 . 1 1 93 93 CYS N N 15 120.6 . . 1 . . . . . . . . 4856 2 690 . 1 1 95 95 ASP H H 1 8.17 . . 1 . . . . . . . . 4856 2 691 . 1 1 95 95 ASP HA H 1 4.52 . . 1 . . . . . . . . 4856 2 692 . 1 1 95 95 ASP HB2 H 1 2.62 . . 1 . . . . . . . . 4856 2 693 . 1 1 95 95 ASP HB3 H 1 2.62 . . 1 . . . . . . . . 4856 2 694 . 1 1 95 95 ASP CA C 13 54.2 . . 1 . . . . . . . . 4856 2 695 . 1 1 95 95 ASP CB C 13 40.7 . . 1 . . . . . . . . 4856 2 696 . 1 1 95 95 ASP N N 15 119.8 . . 1 . . . . . . . . 4856 2 697 . 1 1 96 96 ARG H H 1 7.94 . . 1 . . . . . . . . 4856 2 698 . 1 1 96 96 ARG HA H 1 4.55 . . 1 . . . . . . . . 4856 2 699 . 1 1 96 96 ARG HB2 H 1 1.86 . . 4 . . . . . . . . 4856 2 700 . 1 1 96 96 ARG HG2 H 1 1.69 . . 4 . . . . . . . . 4856 2 701 . 1 1 96 96 ARG CA C 13 53.5 . . 1 . . . . . . . . 4856 2 702 . 1 1 96 96 ARG CB C 13 30.1 . . 1 . . . . . . . . 4856 2 703 . 1 1 96 96 ARG N N 15 121.6 . . 1 . . . . . . . . 4856 2 stop_ save_