data_6583 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6583 _Entry.Title ; 1H, 13C, and 15N NMR Sequence-specific Resonance Assignments for Rat Ca2+-S100A1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-07 _Entry.Accession_date 2005-04-07 _Entry.Last_release_date 2005-11-01 _Entry.Original_release_date 2005-11-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nathan Wright . T. . 6583 2 Kristen Varney . M. . 6583 3 Karen Ellis . C. . 6583 4 Rossitza Gitti . K. . 6583 5 Danna Zimmer . B. . 6583 6 David Weber . J. . 6583 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6583 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 285 6583 '15N chemical shifts' 93 6583 '1H chemical shifts' 531 6583 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 . . 2005-11-01 2005-04-07 original author . 6583 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4285 'chemical shifts for the apo form of the protein' 6583 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6583 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16169012 _Citation.Full_citation . _Citation.Title ; The Three-dimensional Solution Structure of Ca(2+)-bound S100A1 as Determined by NMR Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 353 _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 410 _Citation.Page_last 426 _Citation.Year 2005 _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 Nathan Wright . T. . 6583 1 2 Kristen Varney . M. . 6583 1 3 Karen Ellis . C. . 6583 1 4 J. Markowitz . . . 6583 1 5 Rossitza Gitti . K. . 6583 1 6 Danna Zimmer . B. . 6583 1 7 David Weber . J. . 6583 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'calcium binding protein' 6583 1 S100 6583 1 TRTK 6583 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6583 _Assembly.ID 1 _Assembly.Name 'S100A1 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 4 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _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 protein 6583 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 'S100A1, chain 1' 1 $S100A1 . . yes native no no . . . 6583 1 2 'S100A1, chain 2' 1 $S100A1 . . yes native no no . . . 6583 1 3 'Calcium, 1' 2 $CA . . yes native no no . . . 6583 1 4 'Calcium, 2' 2 $CA . . yes native no no . . . 6583 1 5 'Calcium, 3' 2 $CA . . yes native no no . . . 6583 1 6 'Calcium, 4' 2 $CA . . yes native no no . . . 6583 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID Ca2+-S100A1 . 6583 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'implicated in caclium release in heart' 6583 1 'may regulate cytoskeleton' 6583 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100A1 _Entity.Sf_category entity _Entity.Sf_framecode S100A1 _Entity.Entry_ID 6583 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100A1 _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 ; MGSELETAMETLINVFHAHS GKEGDKYKLSKKELKDLLQT ELSSFKDVQKDADAVDKIMK ELDENGDGEVDFQEFVVLVA ALTVACNNFFWENS ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 10545 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15704 . calmodulin . . . . . 98.94 93 98.92 98.92 1.78e-57 . . . . 6583 1 2 no BMRB 16050 . S100A1 . . . . . 98.94 93 98.92 98.92 1.78e-57 . . . . 6583 1 3 no BMRB 4285 . S100A . . . . . 100.00 94 98.94 98.94 2.06e-58 . . . . 6583 1 4 no PDB 1K2H . "Three-Dimensional Solution Structure Of Apo-S100a1." . . . . . 98.94 93 98.92 98.92 1.78e-57 . . . . 6583 1 5 no PDB 1ZFS . "Solution Structure Of S100a1 Bound To Calcium" . . . . . 98.94 93 98.92 98.92 1.78e-57 . . . . 6583 1 6 no PDB 2K2F . "Solution Structure Of Ca2+-S100a1-Ryrp12" . . . . . 98.94 93 98.92 98.92 1.78e-57 . . . . 6583 1 7 no PDB 2KBM . "Ca-S100a1 Interacting With Trtk12" . . . . . 98.94 93 98.92 98.92 1.78e-57 . . . . 6583 1 8 no GB AAB53657 . "S100A1 protein [Rattus norvegicus]" . . . . . 100.00 94 98.94 98.94 2.06e-58 . . . . 6583 1 9 no GB EDM00555 . "rCG62688, isoform CRA_b [Rattus norvegicus]" . . . . . 100.00 94 98.94 98.94 2.06e-58 . . . . 6583 1 10 no REF NP_001007637 . "protein S100-A1 [Rattus norvegicus]" . . . . . 100.00 94 98.94 98.94 2.06e-58 . . . . 6583 1 11 no REF XP_006232665 . "PREDICTED: protein S100-A1 isoform X1 [Rattus norvegicus]" . . . . . 100.00 94 98.94 98.94 2.06e-58 . . . . 6583 1 12 no SP P35467 . "RecName: Full=Protein S100-A1; AltName: Full=S-100 protein alpha chain; AltName: Full=S-100 protein subunit alpha; AltName: Ful" . . . . . 100.00 94 98.94 98.94 2.06e-58 . . . . 6583 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 0 MET . 6583 1 2 1 GLY . 6583 1 3 2 SER . 6583 1 4 3 GLU . 6583 1 5 4 LEU . 6583 1 6 5 GLU . 6583 1 7 6 THR . 6583 1 8 7 ALA . 6583 1 9 8 MET . 6583 1 10 9 GLU . 6583 1 11 10 THR . 6583 1 12 11 LEU . 6583 1 13 12 ILE . 6583 1 14 13 ASN . 6583 1 15 14 VAL . 6583 1 16 15 PHE . 6583 1 17 16 HIS . 6583 1 18 17 ALA . 6583 1 19 18 HIS . 6583 1 20 19 SER . 6583 1 21 20 GLY . 6583 1 22 21 LYS . 6583 1 23 22 GLU . 6583 1 24 23 GLY . 6583 1 25 24 ASP . 6583 1 26 25 LYS . 6583 1 27 26 TYR . 6583 1 28 27 LYS . 6583 1 29 28 LEU . 6583 1 30 29 SER . 6583 1 31 30 LYS . 6583 1 32 31 LYS . 6583 1 33 32 GLU . 6583 1 34 33 LEU . 6583 1 35 34 LYS . 6583 1 36 35 ASP . 6583 1 37 36 LEU . 6583 1 38 37 LEU . 6583 1 39 38 GLN . 6583 1 40 39 THR . 6583 1 41 40 GLU . 6583 1 42 41 LEU . 6583 1 43 42 SER . 6583 1 44 43 SER . 6583 1 45 44 PHE . 6583 1 46 45 LYS . 6583 1 47 46 ASP . 6583 1 48 47 VAL . 6583 1 49 48 GLN . 6583 1 50 49 LYS . 6583 1 51 50 ASP . 6583 1 52 51 ALA . 6583 1 53 52 ASP . 6583 1 54 53 ALA . 6583 1 55 54 VAL . 6583 1 56 55 ASP . 6583 1 57 56 LYS . 6583 1 58 57 ILE . 6583 1 59 58 MET . 6583 1 60 59 LYS . 6583 1 61 60 GLU . 6583 1 62 61 LEU . 6583 1 63 62 ASP . 6583 1 64 63 GLU . 6583 1 65 64 ASN . 6583 1 66 65 GLY . 6583 1 67 66 ASP . 6583 1 68 67 GLY . 6583 1 69 68 GLU . 6583 1 70 69 VAL . 6583 1 71 70 ASP . 6583 1 72 71 PHE . 6583 1 73 72 GLN . 6583 1 74 73 GLU . 6583 1 75 74 PHE . 6583 1 76 75 VAL . 6583 1 77 76 VAL . 6583 1 78 77 LEU . 6583 1 79 78 VAL . 6583 1 80 79 ALA . 6583 1 81 80 ALA . 6583 1 82 81 LEU . 6583 1 83 82 THR . 6583 1 84 83 VAL . 6583 1 85 84 ALA . 6583 1 86 85 CYS . 6583 1 87 86 ASN . 6583 1 88 87 ASN . 6583 1 89 88 PHE . 6583 1 90 89 PHE . 6583 1 91 90 TRP . 6583 1 92 91 GLU . 6583 1 93 92 ASN . 6583 1 94 93 SER . 6583 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 6583 1 . GLY 2 2 6583 1 . SER 3 3 6583 1 . GLU 4 4 6583 1 . LEU 5 5 6583 1 . GLU 6 6 6583 1 . THR 7 7 6583 1 . ALA 8 8 6583 1 . MET 9 9 6583 1 . GLU 10 10 6583 1 . THR 11 11 6583 1 . LEU 12 12 6583 1 . ILE 13 13 6583 1 . ASN 14 14 6583 1 . VAL 15 15 6583 1 . PHE 16 16 6583 1 . HIS 17 17 6583 1 . ALA 18 18 6583 1 . HIS 19 19 6583 1 . SER 20 20 6583 1 . GLY 21 21 6583 1 . LYS 22 22 6583 1 . GLU 23 23 6583 1 . GLY 24 24 6583 1 . ASP 25 25 6583 1 . LYS 26 26 6583 1 . TYR 27 27 6583 1 . LYS 28 28 6583 1 . LEU 29 29 6583 1 . SER 30 30 6583 1 . LYS 31 31 6583 1 . LYS 32 32 6583 1 . GLU 33 33 6583 1 . LEU 34 34 6583 1 . LYS 35 35 6583 1 . ASP 36 36 6583 1 . LEU 37 37 6583 1 . LEU 38 38 6583 1 . GLN 39 39 6583 1 . THR 40 40 6583 1 . GLU 41 41 6583 1 . LEU 42 42 6583 1 . SER 43 43 6583 1 . SER 44 44 6583 1 . PHE 45 45 6583 1 . LYS 46 46 6583 1 . ASP 47 47 6583 1 . VAL 48 48 6583 1 . GLN 49 49 6583 1 . LYS 50 50 6583 1 . ASP 51 51 6583 1 . ALA 52 52 6583 1 . ASP 53 53 6583 1 . ALA 54 54 6583 1 . VAL 55 55 6583 1 . ASP 56 56 6583 1 . LYS 57 57 6583 1 . ILE 58 58 6583 1 . MET 59 59 6583 1 . LYS 60 60 6583 1 . GLU 61 61 6583 1 . LEU 62 62 6583 1 . ASP 63 63 6583 1 . GLU 64 64 6583 1 . ASN 65 65 6583 1 . GLY 66 66 6583 1 . ASP 67 67 6583 1 . GLY 68 68 6583 1 . GLU 69 69 6583 1 . VAL 70 70 6583 1 . ASP 71 71 6583 1 . PHE 72 72 6583 1 . GLN 73 73 6583 1 . GLU 74 74 6583 1 . PHE 75 75 6583 1 . VAL 76 76 6583 1 . VAL 77 77 6583 1 . LEU 78 78 6583 1 . VAL 79 79 6583 1 . ALA 80 80 6583 1 . ALA 81 81 6583 1 . LEU 82 82 6583 1 . THR 83 83 6583 1 . VAL 84 84 6583 1 . ALA 85 85 6583 1 . CYS 86 86 6583 1 . ASN 87 87 6583 1 . ASN 88 88 6583 1 . PHE 89 89 6583 1 . PHE 90 90 6583 1 . TRP 91 91 6583 1 . GLU 92 92 6583 1 . ASN 93 93 6583 1 . SER 94 94 6583 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 6583 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _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 . CA . 6583 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 6583 _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 $S100A1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 6583 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 6583 _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 $S100A1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . plasmid . . . . . . . . . 6583 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 6583 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _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 CA _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 Ca _Chem_comp.Formula_weight 40.078 _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 Aug 4 15:24:29 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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 6583 CA [Ca++] SMILES CACTVS 3.341 6583 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 6583 CA [Ca+2] SMILES ACDLabs 10.04 6583 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 6583 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6583 CA InChI=1S/Ca/q+2 InChI InChI 1.03 6583 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 6583 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6583 CA 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 CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6583 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6583 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5-3 mM S100A1, either 15N labeled or 13C, 15N labeled, prepared in H2O with 10% D2O' _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 S100A1 '[U-13C; U-15N]' . . 1 $S100A1 . . . 0.5 3 mM . . . . 6583 1 2 Calcium . . . 2 $CA . . . . . mM . . . . 6583 1 3 d11-Tris . . . . . . . . 20 40 mM . . . . 6583 1 4 CaCl2 . . . . . . . 20 . . mM . . . . 6583 1 5 NaN3 . . . . . . . 0.35 . . mM . . . . 6583 1 6 NaCl . . . . . . . . 15 18 mM . . . . 6583 1 7 DTT . . . . . . . . 20 35 mM . . . . 6583 1 8 D20 . . . . . . . 10 . . % . . . . 6583 1 9 H20 . . . . . . . 90 . . % . . . . 6583 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6583 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5-3 mM S100A1, either 15N labeled or 13C, 15N labeled, prepared in H2O with 10% D2O' _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 S100A1 [U-15N] . . 1 $S100A1 . . . 0.5 3 mM . . . . 6583 2 2 Calcium . . . 2 $CA . . . . . mM . . . . 6583 2 3 d11-Tris . . . . . . . . 20 40 mM . . . . 6583 2 4 CaCl2 . . . . . . . 20 . . mM . . . . 6583 2 5 NaN3 . . . . . . . 0.35 . . mM . . . . 6583 2 6 NaCl . . . . . . . . 15 18 mM . . . . 6583 2 7 DTT . . . . . . . . 20 35 mM . . . . 6583 2 8 D20 . . . . . . . 10 . . % . . . . 6583 2 9 H20 . . . . . . . 90 . . % . . . . 6583 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6583 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 0.5-3 mM 15N-labeled S100A1, d11-Tris (20-40 mM), CaCl2 (20 mM), NaN3 (0.35 mM), NaCl (15-18 mM), DTT (20-35 mM), and D20 (10%), pH 7.2 ; 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 pH 6583 1 temperature 310 . K 6583 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6583 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6583 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6583 _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 1H15N_HSQC no 1 $1H15N_HSQC . . . . . . . . . . isotropic . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6583 1 2 '3D 15N_CBCA(CO)NH' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6583 1 3 '3D 15N_HNCACB' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6583 1 4 '3D 15N_edited_HOHAHA-HSQC' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6583 1 5 '3D 15N_edited_NOESY-HSQC' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6583 1 6 '3D 15N_edited HMQC-NOESY-HSQC' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6583 1 7 '3D 15N_edited HNHA' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6583 1 8 '3D 15N_edited_HNCO' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6583 1 9 '3D 15N_edited C(CO)NH' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6583 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6583 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6583 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6583 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6583 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6583 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6583 1 . . 2 $sample_2 isotropic 6583 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 9.62 . . 1 . . . . 0 MET HN . 6583 1 2 . 1 1 1 1 MET HA H 1 4.6 . . 1 . . . . 0 MET HA . 6583 1 3 . 1 1 1 1 MET CA C 13 54.25 . . 1 . . . . 0 MET CA . 6583 1 4 . 1 1 1 1 MET CB C 13 33.39 . . 1 . . . . 0 MET CB . 6583 1 5 . 1 1 1 1 MET N N 15 129.79 . . 1 . . . . 0 MET NN . 6583 1 6 . 1 1 2 2 GLY H H 1 8.5 . . 1 . . . . 1 GLY HN . 6583 1 7 . 1 1 2 2 GLY HA2 H 1 4.03 . . 1 . . . . 1 GLY HA2 . 6583 1 8 . 1 1 2 2 GLY HA3 H 1 4.03 . . 1 . . . . 1 GLY HA3 . 6583 1 9 . 1 1 2 2 GLY CA C 13 45.11 . . 1 . . . . 1 GLY CA . 6583 1 10 . 1 1 2 2 GLY N N 15 111.29 . . 1 . . . . 1 GLY NN . 6583 1 11 . 1 1 3 3 SER H H 1 8.72 . . 1 . . . . 2 SER HN . 6583 1 12 . 1 1 3 3 SER HA H 1 4.77 . . 1 . . . . 2 SER HA . 6583 1 13 . 1 1 3 3 SER HB2 H 1 4.15 . . 1 . . . . 2 SER HB . 6583 1 14 . 1 1 3 3 SER HB3 H 1 4.15 . . 1 . . . . 2 SER HB . 6583 1 15 . 1 1 3 3 SER CA C 13 57.53 . . 1 . . . . 2 SER CA . 6583 1 16 . 1 1 3 3 SER CB C 13 65.27 . . 1 . . . . 2 SER CB . 6583 1 17 . 1 1 3 3 SER N N 15 117.86 . . 1 . . . . 2 SER NN . 6583 1 18 . 1 1 4 4 GLU H H 1 9.5 . . 1 . . . . 3 GLU HN . 6583 1 19 . 1 1 4 4 GLU HA H 1 4.17 . . 1 . . . . 3 GLU HA . 6583 1 20 . 1 1 4 4 GLU HB2 H 1 2.17 . . 1 . . . . 3 GLU HB . 6583 1 21 . 1 1 4 4 GLU HB3 H 1 2.17 . . 1 . . . . 3 GLU HB . 6583 1 22 . 1 1 4 4 GLU HG2 H 1 2.48 . . 1 . . . . 3 GLU HG . 6583 1 23 . 1 1 4 4 GLU HG3 H 1 2.48 . . 1 . . . . 3 GLU HG . 6583 1 24 . 1 1 4 4 GLU CA C 13 60.35 . . 1 . . . . 3 GLU CA . 6583 1 25 . 1 1 4 4 GLU CB C 13 29.87 . . 1 . . . . 3 GLU CB . 6583 1 26 . 1 1 4 4 GLU CG C 13 37.36 . . 1 . . . . 3 GLU CG . 6583 1 27 . 1 1 4 4 GLU N N 15 125.03 . . 1 . . . . 3 GLU NN . 6583 1 28 . 1 1 5 5 LEU H H 1 9.05 . . 1 . . . . 4 LEU HN . 6583 1 29 . 1 1 5 5 LEU HA H 1 4.12 . . 1 . . . . 4 LEU HA . 6583 1 30 . 1 1 5 5 LEU HB2 H 1 1.93 . . 1 . . . . 4 LEU HB . 6583 1 31 . 1 1 5 5 LEU HB3 H 1 1.93 . . 1 . . . . 4 LEU HB . 6583 1 32 . 1 1 5 5 LEU HG H 1 1.9 . . 1 . . . . 4 LEU HG . 6583 1 33 . 1 1 5 5 LEU HD11 H 1 1.11 . . 1 . . . . 4 LEU HD1 . 6583 1 34 . 1 1 5 5 LEU HD12 H 1 1.11 . . 1 . . . . 4 LEU HD1 . 6583 1 35 . 1 1 5 5 LEU HD13 H 1 1.11 . . 1 . . . . 4 LEU HD1 . 6583 1 36 . 1 1 5 5 LEU HD21 H 1 1.11 . . 1 . . . . 4 LEU HD2 . 6583 1 37 . 1 1 5 5 LEU HD22 H 1 1.11 . . 1 . . . . 4 LEU HD2 . 6583 1 38 . 1 1 5 5 LEU HD23 H 1 1.11 . . 1 . . . . 4 LEU HD2 . 6583 1 39 . 1 1 5 5 LEU CA C 13 58.24 . . 1 . . . . 4 LEU CA . 6583 1 40 . 1 1 5 5 LEU CB C 13 42.3 . . 1 . . . . 4 LEU CB . 6583 1 41 . 1 1 5 5 LEU CG C 13 26.94 . . 1 . . . . 4 LEU CG . 6583 1 42 . 1 1 5 5 LEU CD1 C 13 24.72 . . 1 . . . . 4 LEU CD1 . 6583 1 43 . 1 1 5 5 LEU CD2 C 13 24.72 . . 1 . . . . 4 LEU CD2 . 6583 1 44 . 1 1 5 5 LEU N N 15 120.62 . . 1 . . . . 4 LEU NN . 6583 1 45 . 1 1 6 6 GLU H H 1 8.4 . . 1 . . . . 5 GLU HN . 6583 1 46 . 1 1 6 6 GLU HA H 1 4.22 . . 1 . . . . 5 GLU HA . 6583 1 47 . 1 1 6 6 GLU HB2 H 1 2.15 . . 1 . . . . 5 GLU HB . 6583 1 48 . 1 1 6 6 GLU HB3 H 1 2.15 . . 1 . . . . 5 GLU HB . 6583 1 49 . 1 1 6 6 GLU HG2 H 1 2.4 . . 1 . . . . 5 GLU HG . 6583 1 50 . 1 1 6 6 GLU HG3 H 1 2.4 . . 1 . . . . 5 GLU HG . 6583 1 51 . 1 1 6 6 GLU CA C 13 60.11 . . 1 . . . . 5 GLU CA . 6583 1 52 . 1 1 6 6 GLU CB C 13 28.07 . . 1 . . . . 5 GLU CB . 6583 1 53 . 1 1 6 6 GLU CG C 13 37.96 . . 1 . . . . 5 GLU CG . 6583 1 54 . 1 1 6 6 GLU N N 15 120.12 . . 1 . . . . 5 GLU NN . 6583 1 55 . 1 1 7 7 THR H H 1 8.33 . . 1 . . . . 6 THR HN . 6583 1 56 . 1 1 7 7 THR HA H 1 4.11 . . 1 . . . . 6 THR HA . 6583 1 57 . 1 1 7 7 THR HB H 1 4.55 . . 1 . . . . 6 THR HB . 6583 1 58 . 1 1 7 7 THR HG21 H 1 1.38 . . 1 . . . . 6 THR HG2 . 6583 1 59 . 1 1 7 7 THR HG22 H 1 1.38 . . 1 . . . . 6 THR HG2 . 6583 1 60 . 1 1 7 7 THR HG23 H 1 1.38 . . 1 . . . . 6 THR HG2 . 6583 1 61 . 1 1 7 7 THR CA C 13 66.67 . . 1 . . . . 6 THR CA . 6583 1 62 . 1 1 7 7 THR CB C 13 68.78 . . 1 . . . . 6 THR CB . 6583 1 63 . 1 1 7 7 THR CG2 C 13 21.67 . . 1 . . . . 6 THR CG2 . 6583 1 64 . 1 1 7 7 THR N N 15 116.99 . . 1 . . . . 6 THR NN . 6583 1 65 . 1 1 8 8 ALA H H 1 8.17 . . 1 . . . . 7 ALA HN . 6583 1 66 . 1 1 8 8 ALA HA H 1 4.25 . . 1 . . . . 7 ALA HA . 6583 1 67 . 1 1 8 8 ALA HB1 H 1 1.71 . . 1 . . . . 7 ALA HB . 6583 1 68 . 1 1 8 8 ALA HB2 H 1 1.71 . . 1 . . . . 7 ALA HB . 6583 1 69 . 1 1 8 8 ALA HB3 H 1 1.71 . . 1 . . . . 7 ALA HB . 6583 1 70 . 1 1 8 8 ALA CA C 13 55.89 . . 1 . . . . 7 ALA CA . 6583 1 71 . 1 1 8 8 ALA CB C 13 18.05 . . 1 . . . . 7 ALA CB . 6583 1 72 . 1 1 8 8 ALA N N 15 127.36 . . 1 . . . . 7 ALA NN . 6583 1 73 . 1 1 9 9 MET H H 1 8.14 . . 1 . . . . 8 MET HN . 6583 1 74 . 1 1 9 9 MET HA H 1 3.95 . . 1 . . . . 8 MET HA . 6583 1 75 . 1 1 9 9 MET HB2 H 1 2.05 . . 1 . . . . 8 MET HB . 6583 1 76 . 1 1 9 9 MET HB3 H 1 2.05 . . 1 . . . . 8 MET HB . 6583 1 77 . 1 1 9 9 MET HG2 H 1 2.69 . . 1 . . . . 8 MET HG . 6583 1 78 . 1 1 9 9 MET HG3 H 1 2.69 . . 1 . . . . 8 MET HG . 6583 1 79 . 1 1 9 9 MET CA C 13 60.58 . . 1 . . . . 8 MET CA . 6583 1 80 . 1 1 9 9 MET CB C 13 33.74 . . 1 . . . . 8 MET CB . 6583 1 81 . 1 1 9 9 MET CG C 13 31.5 . . 1 . . . . 8 MET CG . 6583 1 82 . 1 1 9 9 MET N N 15 118.36 . . 1 . . . . 8 MET NN . 6583 1 83 . 1 1 10 10 GLU H H 1 8.07 . . 1 . . . . 9 GLU HN . 6583 1 84 . 1 1 10 10 GLU HA H 1 3.92 . . 1 . . . . 9 GLU HA . 6583 1 85 . 1 1 10 10 GLU HB2 H 1 2.26 . . 1 . . . . 9 GLU HB . 6583 1 86 . 1 1 10 10 GLU HB3 H 1 2.26 . . 1 . . . . 9 GLU HB . 6583 1 87 . 1 1 10 10 GLU HG2 H 1 2.58 . . 1 . . . . 9 GLU HG . 6583 1 88 . 1 1 10 10 GLU HG3 H 1 2.58 . . 1 . . . . 9 GLU HG . 6583 1 89 . 1 1 10 10 GLU CA C 13 59.64 . . 1 . . . . 9 GLU CA . 6583 1 90 . 1 1 10 10 GLU CB C 13 29.64 . . 1 . . . . 9 GLU CB . 6583 1 91 . 1 1 10 10 GLU CG C 13 36.74 . . 1 . . . . 9 GLU CG . 6583 1 92 . 1 1 10 10 GLU N N 15 118.36 . . 1 . . . . 9 GLU NN . 6583 1 93 . 1 1 11 11 THR H H 1 8.41 . . 1 . . . . 10 THR HN . 6583 1 94 . 1 1 11 11 THR HA H 1 4.07 . . 1 . . . . 10 THR HA . 6583 1 95 . 1 1 11 11 THR HB H 1 4.66 . . 1 . . . . 10 THR HB . 6583 1 96 . 1 1 11 11 THR HG21 H 1 1.2 . . 1 . . . . 10 THR HG2 . 6583 1 97 . 1 1 11 11 THR HG22 H 1 1.2 . . 1 . . . . 10 THR HG2 . 6583 1 98 . 1 1 11 11 THR HG23 H 1 1.2 . . 1 . . . . 10 THR HG2 . 6583 1 99 . 1 1 11 11 THR CA C 13 67.28 . . 1 . . . . 10 THR CA . 6583 1 100 . 1 1 11 11 THR CB C 13 68.32 . . 1 . . . . 10 THR CB . 6583 1 101 . 1 1 11 11 THR CG2 C 13 22.38 . . 1 . . . . 10 THR CG2 . 6583 1 102 . 1 1 11 11 THR N N 15 118.26 . . 1 . . . . 10 THR NN . 6583 1 103 . 1 1 12 12 LEU H H 1 7.86 . . 1 . . . . 11 LEU HN . 6583 1 104 . 1 1 12 12 LEU HA H 1 4.17 . . 1 . . . . 11 LEU HA . 6583 1 105 . 1 1 12 12 LEU HB2 H 1 2.42 . . 1 . . . . 11 LEU HB . 6583 1 106 . 1 1 12 12 LEU HB3 H 1 2.42 . . 1 . . . . 11 LEU HB . 6583 1 107 . 1 1 12 12 LEU HG H 1 2.15 . . 1 . . . . 11 LEU HG . 6583 1 108 . 1 1 12 12 LEU HD11 H 1 1.44 . . 1 . . . . 11 LEU HD1 . 6583 1 109 . 1 1 12 12 LEU HD12 H 1 1.44 . . 1 . . . . 11 LEU HD1 . 6583 1 110 . 1 1 12 12 LEU HD13 H 1 1.44 . . 1 . . . . 11 LEU HD1 . 6583 1 111 . 1 1 12 12 LEU HD21 H 1 0.84 . . 1 . . . . 11 LEU HD2 . 6583 1 112 . 1 1 12 12 LEU HD22 H 1 0.84 . . 1 . . . . 11 LEU HD2 . 6583 1 113 . 1 1 12 12 LEU HD23 H 1 0.84 . . 1 . . . . 11 LEU HD2 . 6583 1 114 . 1 1 12 12 LEU CA C 13 60.11 . . 1 . . . . 11 LEU CA . 6583 1 115 . 1 1 12 12 LEU CB C 13 42.06 . . 1 . . . . 11 LEU CB . 6583 1 116 . 1 1 12 12 LEU CG C 13 28 . . 1 . . . . 11 LEU CG . 6583 1 117 . 1 1 12 12 LEU CD1 C 13 21.44 . . 1 . . . . 11 LEU CD1 . 6583 1 118 . 1 1 12 12 LEU CD2 C 13 24.63 . . 1 . . . . 11 LEU CD2 . 6583 1 119 . 1 1 12 12 LEU N N 15 121.18 . . 1 . . . . 11 LEU NN . 6583 1 120 . 1 1 13 13 ILE H H 1 7.38 . . 1 . . . . 12 ILE HN . 6583 1 121 . 1 1 13 13 ILE HA H 1 3.68 . . 1 . . . . 12 ILE HA . 6583 1 122 . 1 1 13 13 ILE HB H 1 1.95 . . 1 . . . . 12 ILE HB . 6583 1 123 . 1 1 13 13 ILE HG12 H 1 1.4 . . 1 . . . . 12 ILE HG1# . 6583 1 124 . 1 1 13 13 ILE HG13 H 1 1.4 . . 1 . . . . 12 ILE HG1# . 6583 1 125 . 1 1 13 13 ILE HG21 H 1 0.73 . . 1 . . . . 12 ILE HG2 . 6583 1 126 . 1 1 13 13 ILE HG22 H 1 0.73 . . 1 . . . . 12 ILE HG2 . 6583 1 127 . 1 1 13 13 ILE HG23 H 1 0.73 . . 1 . . . . 12 ILE HG2 . 6583 1 128 . 1 1 13 13 ILE HD11 H 1 0.73 . . 1 . . . . 12 ILE HD1 . 6583 1 129 . 1 1 13 13 ILE HD12 H 1 0.73 . . 1 . . . . 12 ILE HD1 . 6583 1 130 . 1 1 13 13 ILE HD13 H 1 0.73 . . 1 . . . . 12 ILE HD1 . 6583 1 131 . 1 1 13 13 ILE CA C 13 65.74 . . 1 . . . . 12 ILE CA . 6583 1 132 . 1 1 13 13 ILE CB C 13 39.25 . . 1 . . . . 12 ILE CB . 6583 1 133 . 1 1 13 13 ILE CG1 C 13 22.4 . . 1 . . . . 12 ILE CG1 . 6583 1 134 . 1 1 13 13 ILE CG2 C 13 16.98 . . 1 . . . . 12 ILE CG2 . 6583 1 135 . 1 1 13 13 ILE CD1 C 13 13.75 . . 1 . . . . 12 ILE CD1 . 6583 1 136 . 1 1 13 13 ILE N N 15 117.68 . . 1 . . . . 12 ILE NN . 6583 1 137 . 1 1 14 14 ASN H H 1 8.89 . . 1 . . . . 13 ASN HN . 6583 1 138 . 1 1 14 14 ASN HA H 1 4.55 . . 1 . . . . 13 ASN HA . 6583 1 139 . 1 1 14 14 ASN HB2 H 1 3.02 . . 1 . . . . 13 ASN HB . 6583 1 140 . 1 1 14 14 ASN HB3 H 1 3.02 . . 1 . . . . 13 ASN HB . 6583 1 141 . 1 1 14 14 ASN CA C 13 56.36 . . 1 . . . . 13 ASN CA . 6583 1 142 . 1 1 14 14 ASN CB C 13 38.31 . . 1 . . . . 13 ASN CB . 6583 1 143 . 1 1 14 14 ASN N N 15 121.77 . . 1 . . . . 13 ASN NN . 6583 1 144 . 1 1 15 15 VAL H H 1 9.17 . . 1 . . . . 14 VAL HN . 6583 1 145 . 1 1 15 15 VAL HA H 1 3.87 . . 1 . . . . 14 VAL HA . 6583 1 146 . 1 1 15 15 VAL HB H 1 2.33 . . 1 . . . . 14 VAL HB . 6583 1 147 . 1 1 15 15 VAL HG11 H 1 1.1 . . 1 . . . . 14 VAL HG1 . 6583 1 148 . 1 1 15 15 VAL HG12 H 1 1.1 . . 1 . . . . 14 VAL HG1 . 6583 1 149 . 1 1 15 15 VAL HG13 H 1 1.1 . . 1 . . . . 14 VAL HG1 . 6583 1 150 . 1 1 15 15 VAL HG21 H 1 1.16 . . 1 . . . . 14 VAL HG2 . 6583 1 151 . 1 1 15 15 VAL HG22 H 1 1.16 . . 1 . . . . 14 VAL HG2 . 6583 1 152 . 1 1 15 15 VAL HG23 H 1 1.16 . . 1 . . . . 14 VAL HG2 . 6583 1 153 . 1 1 15 15 VAL CA C 13 66.44 . . 1 . . . . 14 VAL CA . 6583 1 154 . 1 1 15 15 VAL CB C 13 31.98 . . 1 . . . . 14 VAL CB . 6583 1 155 . 1 1 15 15 VAL CG1 C 13 22 . . 1 . . . . 14 VAL CG1 . 6583 1 156 . 1 1 15 15 VAL CG2 C 13 23.5 . . 1 . . . . 14 VAL CG2 . 6583 1 157 . 1 1 15 15 VAL N N 15 122.01 . . 1 . . . . 14 VAL NN . 6583 1 158 . 1 1 16 16 PHE H H 1 7.68 . . 1 . . . . 15 PHE HN . 6583 1 159 . 1 1 16 16 PHE HA H 1 3.48 . . 1 . . . . 15 PHE HA . 6583 1 160 . 1 1 16 16 PHE HB2 H 1 2.81 . . 1 . . . . 15 PHE HB . 6583 1 161 . 1 1 16 16 PHE HB3 H 1 2.81 . . 1 . . . . 15 PHE HB . 6583 1 162 . 1 1 16 16 PHE CA C 13 62.92 . . 1 . . . . 15 PHE CA . 6583 1 163 . 1 1 16 16 PHE CB C 13 39.44 . . 1 . . . . 15 PHE CB . 6583 1 164 . 1 1 16 16 PHE N N 15 118.59 . . 1 . . . . 15 PHE NN . 6583 1 165 . 1 1 17 17 HIS H H 1 7.83 . . 1 . . . . 16 HIS HN . 6583 1 166 . 1 1 17 17 HIS HA H 1 5.01 . . 1 . . . . 16 HIS HA . 6583 1 167 . 1 1 17 17 HIS HB2 H 1 3.24 . . 1 . . . . 16 HIS HB . 6583 1 168 . 1 1 17 17 HIS HB3 H 1 3.24 . . 1 . . . . 16 HIS HB . 6583 1 169 . 1 1 17 17 HIS CA C 13 59.17 . . 1 . . . . 16 HIS CA . 6583 1 170 . 1 1 17 17 HIS CB C 13 28.12 . . 1 . . . . 16 HIS CB . 6583 1 171 . 1 1 17 17 HIS N N 15 115.39 . . 1 . . . . 16 HIS NN . 6583 1 172 . 1 1 18 18 ALA H H 1 8.06 . . 1 . . . . 17 ALA HN . 6583 1 173 . 1 1 18 18 ALA HA H 1 4.08 . . 1 . . . . 17 ALA HA . 6583 1 174 . 1 1 18 18 ALA HB1 H 1 1.38 . . 1 . . . . 17 ALA HB . 6583 1 175 . 1 1 18 18 ALA HB2 H 1 1.38 . . 1 . . . . 17 ALA HB . 6583 1 176 . 1 1 18 18 ALA HB3 H 1 1.38 . . 1 . . . . 17 ALA HB . 6583 1 177 . 1 1 18 18 ALA CA C 13 54.25 . . 1 . . . . 17 ALA CA . 6583 1 178 . 1 1 18 18 ALA CB C 13 17.82 . . 1 . . . . 17 ALA CB . 6583 1 179 . 1 1 18 18 ALA N N 15 124.47 . . 1 . . . . 17 ALA NN . 6583 1 180 . 1 1 19 19 HIS H H 1 7.06 . . 1 . . . . 18 HIS HN . 6583 1 181 . 1 1 19 19 HIS HA H 1 4.36 . . 1 . . . . 18 HIS HA . 6583 1 182 . 1 1 19 19 HIS HB2 H 1 2.5 . . 1 . . . . 18 HIS HB2 . 6583 1 183 . 1 1 19 19 HIS HB3 H 1 2.38 . . 1 . . . . 18 HIS HB3 . 6583 1 184 . 1 1 19 19 HIS CA C 13 57.88 . . 1 . . . . 18 HIS CA . 6583 1 185 . 1 1 19 19 HIS CB C 13 33.06 . . 1 . . . . 18 HIS CB . 6583 1 186 . 1 1 19 19 HIS N N 15 115.25 . . 1 . . . . 18 HIS NN . 6583 1 187 . 1 1 20 20 SER H H 1 8.53 . . 1 . . . . 19 SER HN . 6583 1 188 . 1 1 20 20 SER HA H 1 3.7 . . 1 . . . . 19 SER HA . 6583 1 189 . 1 1 20 20 SER HB2 H 1 3.2 . . 1 . . . . 19 SER HB . 6583 1 190 . 1 1 20 20 SER HB3 H 1 3.2 . . 1 . . . . 19 SER HB . 6583 1 191 . 1 1 20 20 SER CA C 13 61.52 . . 1 . . . . 19 SER CA . 6583 1 192 . 1 1 20 20 SER CB C 13 61.3 . . 1 . . . . 19 SER CB . 6583 1 193 . 1 1 20 20 SER N N 15 114.35 . . 1 . . . . 19 SER NN . 6583 1 194 . 1 1 21 21 GLY H H 1 7.66 . . 1 . . . . 20 GLY HN . 6583 1 195 . 1 1 21 21 GLY HA2 H 1 3.67 . . 1 . . . . 20 GLY HA2 . 6583 1 196 . 1 1 21 21 GLY HA3 H 1 4.22 . . 1 . . . . 20 GLY HA3 . 6583 1 197 . 1 1 21 21 GLY CA C 13 45.58 . . 1 . . . . 20 GLY CA . 6583 1 198 . 1 1 21 21 GLY N N 15 112.26 . . 1 . . . . 20 GLY NN . 6583 1 199 . 1 1 22 22 LYS H H 1 7.23 . . 1 . . . . 21 LYS HN . 6583 1 200 . 1 1 22 22 LYS HA H 1 3.95 . . 1 . . . . 21 LYS HA . 6583 1 201 . 1 1 22 22 LYS HB2 H 1 2 . . 1 . . . . 21 LYS HB2 . 6583 1 202 . 1 1 22 22 LYS HB3 H 1 2.12 . . 1 . . . . 21 LYS HB3 . 6583 1 203 . 1 1 22 22 LYS HG2 H 1 1.38 . . 1 . . . . 21 LYS HG . 6583 1 204 . 1 1 22 22 LYS HG3 H 1 1.38 . . 1 . . . . 21 LYS HG . 6583 1 205 . 1 1 22 22 LYS HD2 H 1 1.9 . . 1 . . . . 21 LYS HD . 6583 1 206 . 1 1 22 22 LYS HD3 H 1 1.9 . . 1 . . . . 21 LYS HD . 6583 1 207 . 1 1 22 22 LYS HE2 H 1 3.02 . . 1 . . . . 21 LYS HE . 6583 1 208 . 1 1 22 22 LYS HE3 H 1 3.02 . . 1 . . . . 21 LYS HE . 6583 1 209 . 1 1 22 22 LYS CA C 13 59.64 . . 1 . . . . 21 LYS CA . 6583 1 210 . 1 1 22 22 LYS CB C 13 39.92 . . 1 . . . . 21 LYS CB . 6583 1 211 . 1 1 22 22 LYS CG C 13 25.95 . . 1 . . . . 21 LYS CG . 6583 1 212 . 1 1 22 22 LYS CD C 13 29.4 . . 1 . . . . 21 LYS CD . 6583 1 213 . 1 1 22 22 LYS CE C 13 41.71 . . 1 . . . . 21 LYS CE . 6583 1 214 . 1 1 22 22 LYS N N 15 122.9 . . 1 . . . . 21 LYS NN . 6583 1 215 . 1 1 23 23 GLU H H 1 9.36 . . 1 . . . . 22 GLU HN . 6583 1 216 . 1 1 23 23 GLU HA H 1 4.55 . . 1 . . . . 22 GLU HA . 6583 1 217 . 1 1 23 23 GLU HB2 H 1 2.15 . . 1 . . . . 22 GLU HB . 6583 1 218 . 1 1 23 23 GLU HB3 H 1 2.15 . . 1 . . . . 22 GLU HB . 6583 1 219 . 1 1 23 23 GLU HG2 H 1 2.04 . . 1 . . . . 22 GLU HG . 6583 1 220 . 1 1 23 23 GLU HG3 H 1 2.04 . . 1 . . . . 22 GLU HG . 6583 1 221 . 1 1 23 23 GLU CA C 13 54.25 . . 1 . . . . 22 GLU CA . 6583 1 222 . 1 1 23 23 GLU CB C 13 33.16 . . 1 . . . . 22 GLU CB . 6583 1 223 . 1 1 23 23 GLU CG C 13 34.74 . . 1 . . . . 22 GLU CG . 6583 1 224 . 1 1 23 23 GLU N N 15 116.56 . . 1 . . . . 22 GLU NN . 6583 1 225 . 1 1 24 24 GLY H H 1 7.63 . . 1 . . . . 23 GLY HN . 6583 1 226 . 1 1 24 24 GLY HA2 H 1 3.78 . . 1 . . . . 23 GLY HA2 . 6583 1 227 . 1 1 24 24 GLY HA3 H 1 4.08 . . 1 . . . . 23 GLY HA3 . 6583 1 228 . 1 1 24 24 GLY CA C 13 45.11 . . 1 . . . . 23 GLY CA . 6583 1 229 . 1 1 24 24 GLY N N 15 111.92 . . 1 . . . . 23 GLY NN . 6583 1 230 . 1 1 25 25 ASP HA H 1 4.15 . . 1 . . . . 24 ASP HA . 6583 1 231 . 1 1 25 25 ASP HB2 H 1 2.2 . . 1 . . . . 24 ASP HB . 6583 1 232 . 1 1 25 25 ASP HB3 H 1 2.2 . . 1 . . . . 24 ASP HB . 6583 1 233 . 1 1 25 25 ASP CA C 13 59.9 . . 1 . . . . 24 ASP CA . 6583 1 234 . 1 1 25 25 ASP CB C 13 28 . . 1 . . . . 24 ASP CB . 6583 1 235 . 1 1 26 26 LYS H H 1 8.36 . . 1 . . . . 25 LYS HN . 6583 1 236 . 1 1 26 26 LYS HA H 1 4.18 . . 1 . . . . 25 LYS HA . 6583 1 237 . 1 1 26 26 LYS HB2 H 1 2.15 . . 1 . . . . 25 LYS HB . 6583 1 238 . 1 1 26 26 LYS HB3 H 1 2.15 . . 1 . . . . 25 LYS HB . 6583 1 239 . 1 1 26 26 LYS HG2 H 1 1.05 . . 1 . . . . 25 LYS HG . 6583 1 240 . 1 1 26 26 LYS HG3 H 1 1.05 . . 1 . . . . 25 LYS HG . 6583 1 241 . 1 1 26 26 LYS HD2 H 1 2.2 . . 1 . . . . 25 LYS HD . 6583 1 242 . 1 1 26 26 LYS HD3 H 1 2.2 . . 1 . . . . 25 LYS HD . 6583 1 243 . 1 1 26 26 LYS HE2 H 1 1.93 . . 1 . . . . 25 LYS HE . 6583 1 244 . 1 1 26 26 LYS HE3 H 1 1.93 . . 1 . . . . 25 LYS HE . 6583 1 245 . 1 1 26 26 LYS CA C 13 58.24 . . 1 . . . . 25 LYS CA . 6583 1 246 . 1 1 26 26 LYS CB C 13 31.28 . . 1 . . . . 25 LYS CB . 6583 1 247 . 1 1 26 26 LYS CG C 13 24.72 . . 1 . . . . 25 LYS CG . 6583 1 248 . 1 1 26 26 LYS CD C 13 29.05 . . 1 . . . . 25 LYS CD . 6583 1 249 . 1 1 26 26 LYS CE C 13 41.95 . . 1 . . . . 25 LYS CE . 6583 1 250 . 1 1 26 26 LYS N N 15 120.15 . . 1 . . . . 25 LYS NN . 6583 1 251 . 1 1 27 27 TYR H H 1 9.42 . . 1 . . . . 26 TYR HN . 6583 1 252 . 1 1 27 27 TYR HA H 1 4.77 . . 1 . . . . 26 TYR HA . 6583 1 253 . 1 1 27 27 TYR HB2 H 1 3.65 . . 1 . . . . 26 TYR HB . 6583 1 254 . 1 1 27 27 TYR HB3 H 1 3.65 . . 1 . . . . 26 TYR HB . 6583 1 255 . 1 1 27 27 TYR CA C 13 56.6 . . 1 . . . . 26 TYR CA . 6583 1 256 . 1 1 27 27 TYR CB C 13 38.32 . . 1 . . . . 26 TYR CB . 6583 1 257 . 1 1 27 27 TYR N N 15 120.3 . . 1 . . . . 26 TYR NN . 6583 1 258 . 1 1 28 28 LYS H H 1 7.11 . . 1 . . . . 27 LYS HN . 6583 1 259 . 1 1 28 28 LYS HA H 1 5.18 . . 1 . . . . 27 LYS HA . 6583 1 260 . 1 1 28 28 LYS HB2 H 1 1.7 . . 1 . . . . 27 LYS HB . 6583 1 261 . 1 1 28 28 LYS HB3 H 1 1.7 . . 1 . . . . 27 LYS HB . 6583 1 262 . 1 1 28 28 LYS HG2 H 1 1.49 . . 1 . . . . 27 LYS HG . 6583 1 263 . 1 1 28 28 LYS HG3 H 1 1.49 . . 1 . . . . 27 LYS HG . 6583 1 264 . 1 1 28 28 LYS HD2 H 1 1.6 . . 1 . . . . 27 LYS HD . 6583 1 265 . 1 1 28 28 LYS HD3 H 1 1.6 . . 1 . . . . 27 LYS HD . 6583 1 266 . 1 1 28 28 LYS HE2 H 1 2.85 . . 1 . . . . 27 LYS HE . 6583 1 267 . 1 1 28 28 LYS HE3 H 1 2.85 . . 1 . . . . 27 LYS HE . 6583 1 268 . 1 1 28 28 LYS CA C 13 54.95 . . 1 . . . . 27 LYS CA . 6583 1 269 . 1 1 28 28 LYS CB C 13 38.88 . . 1 . . . . 27 LYS CB . 6583 1 270 . 1 1 28 28 LYS CG C 13 25.77 . . 1 . . . . 27 LYS CG . 6583 1 271 . 1 1 28 28 LYS CD C 13 29.99 . . 1 . . . . 27 LYS CD . 6583 1 272 . 1 1 28 28 LYS CE C 13 42.06 . . 1 . . . . 27 LYS CE . 6583 1 273 . 1 1 28 28 LYS N N 15 115.57 . . 1 . . . . 27 LYS NN . 6583 1 274 . 1 1 29 29 LEU H H 1 9.83 . . 1 . . . . 28 LEU HN . 6583 1 275 . 1 1 29 29 LEU HA H 1 5.18 . . 1 . . . . 28 LEU HA . 6583 1 276 . 1 1 29 29 LEU HB2 H 1 2.01 . . 1 . . . . 28 LEU HB2 . 6583 1 277 . 1 1 29 29 LEU HB3 H 1 1.38 . . 1 . . . . 28 LEU HB3 . 6583 1 278 . 1 1 29 29 LEU HG H 1 0.62 . . 1 . . . . 28 LEU HG . 6583 1 279 . 1 1 29 29 LEU HD11 H 1 1.38 . . 1 . . . . 28 LEU HD1 . 6583 1 280 . 1 1 29 29 LEU HD12 H 1 1.38 . . 1 . . . . 28 LEU HD1 . 6583 1 281 . 1 1 29 29 LEU HD13 H 1 1.38 . . 1 . . . . 28 LEU HD1 . 6583 1 282 . 1 1 29 29 LEU HD21 H 1 0.38 . . 1 . . . . 28 LEU HD2 . 6583 1 283 . 1 1 29 29 LEU HD22 H 1 0.38 . . 1 . . . . 28 LEU HD2 . 6583 1 284 . 1 1 29 29 LEU HD23 H 1 0.38 . . 1 . . . . 28 LEU HD2 . 6583 1 285 . 1 1 29 29 LEU CA C 13 53.08 . . 1 . . . . 28 LEU CA . 6583 1 286 . 1 1 29 29 LEU CB C 13 43.23 . . 1 . . . . 28 LEU CB . 6583 1 287 . 1 1 29 29 LEU CG C 13 27.85 . . 1 . . . . 28 LEU CG . 6583 1 288 . 1 1 29 29 LEU CD1 C 13 24.95 . . 1 . . . . 28 LEU CD1 . 6583 1 289 . 1 1 29 29 LEU CD2 C 13 23.78 . . 1 . . . . 28 LEU CD2 . 6583 1 290 . 1 1 29 29 LEU N N 15 126.78 . . 1 . . . . 28 LEU NN . 6583 1 291 . 1 1 30 30 SER H H 1 9.9 . . 1 . . . . 29 SER HN . 6583 1 292 . 1 1 30 30 SER HA H 1 4.63 . . 1 . . . . 29 SER HA . 6583 1 293 . 1 1 30 30 SER HB2 H 1 4.33 . . 1 . . . . 29 SER HB2 . 6583 1 294 . 1 1 30 30 SER HB3 H 1 4.11 . . 1 . . . . 29 SER HB3 . 6583 1 295 . 1 1 30 30 SER CA C 13 56.36 . . 1 . . . . 29 SER CA . 6583 1 296 . 1 1 30 30 SER CB C 13 65.74 . . 1 . . . . 29 SER CB . 6583 1 297 . 1 1 30 30 SER N N 15 121.35 . . 1 . . . . 29 SER NN . 6583 1 298 . 1 1 31 31 LYS H H 1 8.85 . . 1 . . . . 30 LYS HN . 6583 1 299 . 1 1 31 31 LYS HA H 1 3.98 . . 1 . . . . 30 LYS HA . 6583 1 300 . 1 1 31 31 LYS HB2 H 1 1.84 . . 1 . . . . 30 LYS HB . 6583 1 301 . 1 1 31 31 LYS HB3 H 1 1.84 . . 1 . . . . 30 LYS HB . 6583 1 302 . 1 1 31 31 LYS HG2 H 1 1.5 . . 1 . . . . 30 LYS HG . 6583 1 303 . 1 1 31 31 LYS HG3 H 1 1.5 . . 1 . . . . 30 LYS HG . 6583 1 304 . 1 1 31 31 LYS HD2 H 1 1.75 . . 1 . . . . 30 LYS HD . 6583 1 305 . 1 1 31 31 LYS HD3 H 1 1.75 . . 1 . . . . 30 LYS HD . 6583 1 306 . 1 1 31 31 LYS HE2 H 1 2.9 . . 1 . . . . 30 LYS HE . 6583 1 307 . 1 1 31 31 LYS HE3 H 1 2.9 . . 1 . . . . 30 LYS HE . 6583 1 308 . 1 1 31 31 LYS CA C 13 61.28 . . 1 . . . . 30 LYS CA . 6583 1 309 . 1 1 31 31 LYS CB C 13 31.98 . . 1 . . . . 30 LYS CB . 6583 1 310 . 1 1 31 31 LYS CG C 13 25.54 . . 1 . . . . 30 LYS CG . 6583 1 311 . 1 1 31 31 LYS CD C 13 29.52 . . 1 . . . . 30 LYS CD . 6583 1 312 . 1 1 31 31 LYS CE C 13 41.95 . . 1 . . . . 30 LYS CE . 6583 1 313 . 1 1 31 31 LYS N N 15 120.89 . . 1 . . . . 30 LYS NN . 6583 1 314 . 1 1 32 32 LYS H H 1 7.89 . . 1 . . . . 31 LYS HN . 6583 1 315 . 1 1 32 32 LYS HA H 1 3.8 . . 1 . . . . 31 LYS HA . 6583 1 316 . 1 1 32 32 LYS HB2 H 1 1.71 . . 1 . . . . 31 LYS HB . 6583 1 317 . 1 1 32 32 LYS HB3 H 1 1.71 . . 1 . . . . 31 LYS HB . 6583 1 318 . 1 1 32 32 LYS HG2 H 1 1.44 . . 1 . . . . 31 LYS HG . 6583 1 319 . 1 1 32 32 LYS HG3 H 1 1.44 . . 1 . . . . 31 LYS HG . 6583 1 320 . 1 1 32 32 LYS HD2 H 1 1.6 . . 1 . . . . 31 LYS HD . 6583 1 321 . 1 1 32 32 LYS HD3 H 1 1.6 . . 1 . . . . 31 LYS HD . 6583 1 322 . 1 1 32 32 LYS HE2 H 1 3.02 . . 1 . . . . 31 LYS HE . 6583 1 323 . 1 1 32 32 LYS HE3 H 1 3.02 . . 1 . . . . 31 LYS HE . 6583 1 324 . 1 1 32 32 LYS CA C 13 59.64 . . 1 . . . . 31 LYS CA . 6583 1 325 . 1 1 32 32 LYS CB C 13 32.82 . . 1 . . . . 31 LYS CB . 6583 1 326 . 1 1 32 32 LYS CG C 13 24.95 . . 1 . . . . 31 LYS CG . 6583 1 327 . 1 1 32 32 LYS CD C 13 28.94 . . 1 . . . . 31 LYS CD . 6583 1 328 . 1 1 32 32 LYS CE C 13 42.18 . . 1 . . . . 31 LYS CE . 6583 1 329 . 1 1 32 32 LYS N N 15 119.71 . . 1 . . . . 31 LYS NN . 6583 1 330 . 1 1 33 33 GLU H H 1 7.5 . . 1 . . . . 32 GLU HN . 6583 1 331 . 1 1 33 33 GLU HA H 1 3.95 . . 1 . . . . 32 GLU HA . 6583 1 332 . 1 1 33 33 GLU HB2 H 1 2.17 . . 1 . . . . 32 GLU HB . 6583 1 333 . 1 1 33 33 GLU HB3 H 1 2.17 . . 1 . . . . 32 GLU HB . 6583 1 334 . 1 1 33 33 GLU HG2 H 1 2.36 . . 1 . . . . 32 GLU HG . 6583 1 335 . 1 1 33 33 GLU HG3 H 1 2.36 . . 1 . . . . 32 GLU HG . 6583 1 336 . 1 1 33 33 GLU CA C 13 58.94 . . 1 . . . . 32 GLU CA . 6583 1 337 . 1 1 33 33 GLU CB C 13 30.81 . . 1 . . . . 32 GLU CB . 6583 1 338 . 1 1 33 33 GLU CG C 13 36.68 . . 1 . . . . 32 GLU CG . 6583 1 339 . 1 1 33 33 GLU N N 15 119.87 . . 1 . . . . 32 GLU NN . 6583 1 340 . 1 1 34 34 LEU H H 1 9.05 . . 1 . . . . 33 LEU HN . 6583 1 341 . 1 1 34 34 LEU HA H 1 3.92 . . 1 . . . . 33 LEU HA . 6583 1 342 . 1 1 34 34 LEU HB2 H 1 2.15 . . 1 . . . . 33 LEU HB2 . 6583 1 343 . 1 1 34 34 LEU HB3 H 1 1.38 . . 1 . . . . 33 LEU HB3 . 6583 1 344 . 1 1 34 34 LEU HG H 1 0.94 . . 1 . . . . 33 LEU HG . 6583 1 345 . 1 1 34 34 LEU HD11 H 1 1.05 . . 1 . . . . 33 LEU HD1 . 6583 1 346 . 1 1 34 34 LEU HD12 H 1 1.05 . . 1 . . . . 33 LEU HD1 . 6583 1 347 . 1 1 34 34 LEU HD13 H 1 1.05 . . 1 . . . . 33 LEU HD1 . 6583 1 348 . 1 1 34 34 LEU HD21 H 1 0.94 . . 1 . . . . 33 LEU HD2 . 6583 1 349 . 1 1 34 34 LEU HD22 H 1 0.94 . . 1 . . . . 33 LEU HD2 . 6583 1 350 . 1 1 34 34 LEU HD23 H 1 0.94 . . 1 . . . . 33 LEU HD2 . 6583 1 351 . 1 1 34 34 LEU CA C 13 57.88 . . 1 . . . . 33 LEU CA . 6583 1 352 . 1 1 34 34 LEU CB C 13 41.36 . . 1 . . . . 33 LEU CB . 6583 1 353 . 1 1 34 34 LEU CG C 13 26.59 . . 1 . . . . 33 LEU CG . 6583 1 354 . 1 1 34 34 LEU CD1 C 13 20.97 . . 1 . . . . 33 LEU CD1 . 6583 1 355 . 1 1 34 34 LEU CD2 C 13 22.37 . . 1 . . . . 33 LEU CD2 . 6583 1 356 . 1 1 34 34 LEU N N 15 119.73 . . 1 . . . . 33 LEU NN . 6583 1 357 . 1 1 35 35 LYS H H 1 8.23 . . 1 . . . . 34 LYS HN . 6583 1 358 . 1 1 35 35 LYS HA H 1 3.67 . . 1 . . . . 34 LYS HA . 6583 1 359 . 1 1 35 35 LYS HB2 H 1 2.04 . . 1 . . . . 34 LYS HB2 . 6583 1 360 . 1 1 35 35 LYS HB3 H 1 2.2 . . 1 . . . . 34 LYS HB3 . 6583 1 361 . 1 1 35 35 LYS HG2 H 1 1.49 . . 1 . . . . 34 LYS HG . 6583 1 362 . 1 1 35 35 LYS HG3 H 1 1.49 . . 1 . . . . 34 LYS HG . 6583 1 363 . 1 1 35 35 LYS HD2 H 1 2.04 . . 1 . . . . 34 LYS HD . 6583 1 364 . 1 1 35 35 LYS HD3 H 1 2.04 . . 1 . . . . 34 LYS HD . 6583 1 365 . 1 1 35 35 LYS HE2 H 1 3.00 . . 1 . . . . 34 LYS HE . 6583 1 366 . 1 1 35 35 LYS HE3 H 1 3.00 . . 1 . . . . 34 LYS HE . 6583 1 367 . 1 1 35 35 LYS CA C 13 61.05 . . 1 . . . . 34 LYS CA . 6583 1 368 . 1 1 35 35 LYS CB C 13 31.98 . . 1 . . . . 34 LYS CB . 6583 1 369 . 1 1 35 35 LYS CG C 13 25.3 . . 1 . . . . 34 LYS CG . 6583 1 370 . 1 1 35 35 LYS CD C 13 29.52 . . 1 . . . . 34 LYS CD . 6583 1 371 . 1 1 35 35 LYS CE C 13 41.83 . . 1 . . . . 34 LYS CE . 6583 1 372 . 1 1 35 35 LYS N N 15 120.54 . . 1 . . . . 34 LYS NN . 6583 1 373 . 1 1 36 36 ASP H H 1 7.89 . . 1 . . . . 35 ASP HN . 6583 1 374 . 1 1 36 36 ASP HA H 1 4.33 . . 1 . . . . 35 ASP HA . 6583 1 375 . 1 1 36 36 ASP HB2 H 1 2.72 . . 1 . . . . 35 ASP HB2 . 6583 1 376 . 1 1 36 36 ASP HB3 H 1 2.94 . . 1 . . . . 35 ASP HB3 . 6583 1 377 . 1 1 36 36 ASP CA C 13 57.53 . . 1 . . . . 35 ASP CA . 6583 1 378 . 1 1 36 36 ASP CB C 13 40.66 . . 1 . . . . 35 ASP CB . 6583 1 379 . 1 1 36 36 ASP N N 15 119.17 . . 1 . . . . 35 ASP NN . 6583 1 380 . 1 1 37 37 LEU H H 1 8.15 . . 1 . . . . 36 LEU HN . 6583 1 381 . 1 1 37 37 LEU HA H 1 2.77 . . 1 . . . . 36 LEU HA . 6583 1 382 . 1 1 37 37 LEU HB2 H 1 1.63 . . 1 . . . . 36 LEU HB . 6583 1 383 . 1 1 37 37 LEU HB3 H 1 1.63 . . 1 . . . . 36 LEU HB . 6583 1 384 . 1 1 37 37 LEU HG H 1 1.27 . . 1 . . . . 36 LEU HG . 6583 1 385 . 1 1 37 37 LEU HD11 H 1 0.73 . . 1 . . . . 36 LEU HD1 . 6583 1 386 . 1 1 37 37 LEU HD12 H 1 0.73 . . 1 . . . . 36 LEU HD1 . 6583 1 387 . 1 1 37 37 LEU HD13 H 1 0.73 . . 1 . . . . 36 LEU HD1 . 6583 1 388 . 1 1 37 37 LEU HD21 H 1 0.62 . . 1 . . . . 36 LEU HD2 . 6583 1 389 . 1 1 37 37 LEU HD22 H 1 0.62 . . 1 . . . . 36 LEU HD2 . 6583 1 390 . 1 1 37 37 LEU HD23 H 1 0.62 . . 1 . . . . 36 LEU HD2 . 6583 1 391 . 1 1 37 37 LEU CA C 13 59.88 . . 1 . . . . 36 LEU CA . 6583 1 392 . 1 1 37 37 LEU CB C 13 42.06 . . 1 . . . . 36 LEU CB . 6583 1 393 . 1 1 37 37 LEU CG C 13 28.33 . . 1 . . . . 36 LEU CG . 6583 1 394 . 1 1 37 37 LEU CD1 C 13 24.6 . . 1 . . . . 36 LEU CD1 . 6583 1 395 . 1 1 37 37 LEU CD2 C 13 27.3 . . 1 . . . . 36 LEU CD2 . 6583 1 396 . 1 1 37 37 LEU N N 15 125.15 . . 1 . . . . 36 LEU NN . 6583 1 397 . 1 1 38 38 LEU H H 1 8.91 . . 1 . . . . 37 LEU HN . 6583 1 398 . 1 1 38 38 LEU HA H 1 3.76 . . 1 . . . . 37 LEU HA . 6583 1 399 . 1 1 38 38 LEU HB2 H 1 1.3 . . 1 . . . . 37 LEU HB2 . 6583 1 400 . 1 1 38 38 LEU HB3 H 1 1.9 . . 1 . . . . 37 LEU HB3 . 6583 1 401 . 1 1 38 38 LEU HG H 1 2.15 . . 1 . . . . 37 LEU HG . 6583 1 402 . 1 1 38 38 LEU HD11 H 1 0.84 . . 1 . . . . 37 LEU HD1 . 6583 1 403 . 1 1 38 38 LEU HD12 H 1 0.84 . . 1 . . . . 37 LEU HD1 . 6583 1 404 . 1 1 38 38 LEU HD13 H 1 0.84 . . 1 . . . . 37 LEU HD1 . 6583 1 405 . 1 1 38 38 LEU HD21 H 1 0.84 . . 1 . . . . 37 LEU HD2 . 6583 1 406 . 1 1 38 38 LEU HD22 H 1 0.84 . . 1 . . . . 37 LEU HD2 . 6583 1 407 . 1 1 38 38 LEU HD23 H 1 0.84 . . 1 . . . . 37 LEU HD2 . 6583 1 408 . 1 1 38 38 LEU CA C 13 58.7 . . 1 . . . . 37 LEU CA . 6583 1 409 . 1 1 38 38 LEU CB C 13 41.59 . . 1 . . . . 37 LEU CB . 6583 1 410 . 1 1 38 38 LEU CG C 13 26.59 . . 1 . . . . 37 LEU CG . 6583 1 411 . 1 1 38 38 LEU CD1 C 13 22.84 . . 1 . . . . 37 LEU CD1 . 6583 1 412 . 1 1 38 38 LEU CD2 C 13 22.84 . . 1 . . . . 37 LEU CD2 . 6583 1 413 . 1 1 38 38 LEU N N 15 120.36 . . 1 . . . . 37 LEU NN . 6583 1 414 . 1 1 39 39 GLN H H 1 8.5 . . 1 . . . . 38 GLN HN . 6583 1 415 . 1 1 39 39 GLN HA H 1 4.06 . . 1 . . . . 38 GLN HA . 6583 1 416 . 1 1 39 39 GLN HB2 H 1 2.06 . . 1 . . . . 38 GLN HB2 . 6583 1 417 . 1 1 39 39 GLN HB3 H 1 2.25 . . 1 . . . . 38 GLN HB3 . 6583 1 418 . 1 1 39 39 GLN HG2 H 1 2.3 . . 1 . . . . 38 GLN HG . 6583 1 419 . 1 1 39 39 GLN HG3 H 1 2.3 . . 1 . . . . 38 GLN HG . 6583 1 420 . 1 1 39 39 GLN CA C 13 58.7 . . 1 . . . . 38 GLN CA . 6583 1 421 . 1 1 39 39 GLN CB C 13 29.1 . . 1 . . . . 38 GLN CB . 6583 1 422 . 1 1 39 39 GLN CG C 13 34.33 . . 1 . . . . 38 GLN CG . 6583 1 423 . 1 1 39 39 GLN N N 15 116.71 . . 1 . . . . 38 GLN NN . 6583 1 424 . 1 1 40 40 THR H H 1 7.94 . . 1 . . . . 39 THR HN . 6583 1 425 . 1 1 40 40 THR HA H 1 4.33 . . 1 . . . . 39 THR HA . 6583 1 426 . 1 1 40 40 THR HB H 1 4.29 . . 1 . . . . 39 THR HB . 6583 1 427 . 1 1 40 40 THR HG21 H 1 1.44 . . 1 . . . . 39 THR HG2 . 6583 1 428 . 1 1 40 40 THR HG22 H 1 1.44 . . 1 . . . . 39 THR HG2 . 6583 1 429 . 1 1 40 40 THR HG23 H 1 1.44 . . 1 . . . . 39 THR HG2 . 6583 1 430 . 1 1 40 40 THR CA C 13 65.03 . . 1 . . . . 39 THR CA . 6583 1 431 . 1 1 40 40 THR CB C 13 70.19 . . 1 . . . . 39 THR CB . 6583 1 432 . 1 1 40 40 THR CG2 C 13 21.79 . . 1 . . . . 39 THR CG2 . 6583 1 433 . 1 1 40 40 THR N N 15 111.13 . . 1 . . . . 39 THR NN . 6583 1 434 . 1 1 41 41 GLU H H 1 8.6 . . 1 . . . . 40 GLU HN . 6583 1 435 . 1 1 41 41 GLU HA H 1 4.92 . . 1 . . . . 40 GLU HA . 6583 1 436 . 1 1 41 41 GLU HB2 H 1 2.28 . . 1 . . . . 40 GLU HB2 . 6583 1 437 . 1 1 41 41 GLU HB3 H 1 1.76 . . 1 . . . . 40 GLU HB3 . 6583 1 438 . 1 1 41 41 GLU HG2 H 1 2.47 . . 1 . . . . 40 GLU HG2 . 6583 1 439 . 1 1 41 41 GLU HG3 H 1 2.26 . . 1 . . . . 40 GLU HG3 . 6583 1 440 . 1 1 41 41 GLU CA C 13 56.6 . . 1 . . . . 40 GLU CA . 6583 1 441 . 1 1 41 41 GLU CB C 13 32.22 . . 1 . . . . 40 GLU CB . 6583 1 442 . 1 1 41 41 GLU CG C 13 35.15 . . 1 . . . . 40 GLU CG . 6583 1 443 . 1 1 41 41 GLU N N 15 117.5 . . 1 . . . . 40 GLU NN . 6583 1 444 . 1 1 42 42 LEU H H 1 7.59 . . 1 . . . . 41 LEU HN . 6583 1 445 . 1 1 42 42 LEU HA H 1 5.37 . . 1 . . . . 41 LEU HA . 6583 1 446 . 1 1 42 42 LEU HB2 H 1 2.01 . . 1 . . . . 41 LEU HB2 . 6583 1 447 . 1 1 42 42 LEU HB3 H 1 1.76 . . 1 . . . . 41 LEU HB3 . 6583 1 448 . 1 1 42 42 LEU HG H 1 0.73 . . 1 . . . . 41 LEU HG . 6583 1 449 . 1 1 42 42 LEU HD11 H 1 1.05 . . 1 . . . . 41 LEU HD1 . 6583 1 450 . 1 1 42 42 LEU HD12 H 1 1.05 . . 1 . . . . 41 LEU HD1 . 6583 1 451 . 1 1 42 42 LEU HD13 H 1 1.05 . . 1 . . . . 41 LEU HD1 . 6583 1 452 . 1 1 42 42 LEU HD21 H 1 1.25 . . 1 . . . . 41 LEU HD2 . 6583 1 453 . 1 1 42 42 LEU HD22 H 1 1.25 . . 1 . . . . 41 LEU HD2 . 6583 1 454 . 1 1 42 42 LEU HD23 H 1 1.25 . . 1 . . . . 41 LEU HD2 . 6583 1 455 . 1 1 42 42 LEU CA C 13 53.78 . . 1 . . . . 41 LEU CA . 6583 1 456 . 1 1 42 42 LEU CB C 13 43.47 . . 1 . . . . 41 LEU CB . 6583 1 457 . 1 1 42 42 LEU CG C 13 26.01 . . 1 . . . . 41 LEU CG . 6583 1 458 . 1 1 42 42 LEU CD1 C 13 23.9 . . 1 . . . . 41 LEU CD1 . 6583 1 459 . 1 1 42 42 LEU CD2 C 13 27 . . 1 . . . . 41 LEU CD2 . 6583 1 460 . 1 1 42 42 LEU N N 15 119.95 . . 1 . . . . 41 LEU NN . 6583 1 461 . 1 1 43 43 SER H H 1 8.13 . . 1 . . . . 42 SER HN . 6583 1 462 . 1 1 43 43 SER HA H 1 4.44 . . 1 . . . . 42 SER HA . 6583 1 463 . 1 1 43 43 SER HB2 H 1 4.11 . . 1 . . . . 42 SER HB . 6583 1 464 . 1 1 43 43 SER HB3 H 1 4.11 . . 1 . . . . 42 SER HB . 6583 1 465 . 1 1 43 43 SER CA C 13 61.94 . . 1 . . . . 42 SER CA . 6583 1 466 . 1 1 43 43 SER CB C 13 63.58 . . 1 . . . . 42 SER CB . 6583 1 467 . 1 1 43 43 SER N N 15 117.5 . . 1 . . . . 42 SER NN . 6583 1 468 . 1 1 44 44 SER H H 1 9.03 . . 1 . . . . 43 SER HN . 6583 1 469 . 1 1 44 44 SER HA H 1 4.28 . . 1 . . . . 43 SER HA . 6583 1 470 . 1 1 44 44 SER HB2 H 1 3.46 . . 1 . . . . 43 SER HB . 6583 1 471 . 1 1 44 44 SER HB3 H 1 3.46 . . 1 . . . . 43 SER HB . 6583 1 472 . 1 1 44 44 SER CA C 13 60.35 . . 1 . . . . 43 SER CA . 6583 1 473 . 1 1 44 44 SER CB C 13 62.46 . . 1 . . . . 43 SER CB . 6583 1 474 . 1 1 44 44 SER N N 15 117.71 . . 1 . . . . 43 SER NN . 6583 1 475 . 1 1 45 45 PHE H H 1 7.78 . . 1 . . . . 44 PHE HN . 6583 1 476 . 1 1 45 45 PHE HA H 1 4.38 . . 1 . . . . 44 PHE HA . 6583 1 477 . 1 1 45 45 PHE HB2 H 1 2.85 . . 1 . . . . 44 PHE HB . 6583 1 478 . 1 1 45 45 PHE HB3 H 1 2.85 . . 1 . . . . 44 PHE HB . 6583 1 479 . 1 1 45 45 PHE HD1 H 1 7.1 . . 1 . . . . 44 PHE HD1 . 6583 1 480 . 1 1 45 45 PHE HD2 H 1 7.1 . . 1 . . . . 44 PHE HD2 . 6583 1 481 . 1 1 45 45 PHE CA C 13 58.92 . . 1 . . . . 44 PHE CA . 6583 1 482 . 1 1 45 45 PHE CB C 13 41.02 . . 1 . . . . 44 PHE CB . 6583 1 483 . 1 1 45 45 PHE CD1 C 13 132.5 . . 1 . . . . 44 PHE CD1 . 6583 1 484 . 1 1 45 45 PHE CD2 C 13 132.5 . . 1 . . . . 44 PHE CD2 . 6583 1 485 . 1 1 45 45 PHE N N 15 117.89 . . 1 . . . . 44 PHE NN . 6583 1 486 . 1 1 46 46 LYS H H 1 7.98 . . 1 . . . . 45 LYS HN . 6583 1 487 . 1 1 46 46 LYS HA H 1 3.65 . . 1 . . . . 45 LYS HA . 6583 1 488 . 1 1 46 46 LYS HB2 H 1 2.15 . . 1 . . . . 45 LYS HB . 6583 1 489 . 1 1 46 46 LYS HB3 H 1 2.15 . . 1 . . . . 45 LYS HB . 6583 1 490 . 1 1 46 46 LYS HG2 H 1 2 . . 1 . . . . 45 LYS HG . 6583 1 491 . 1 1 46 46 LYS HG3 H 1 2 . . 1 . . . . 45 LYS HG . 6583 1 492 . 1 1 46 46 LYS HD2 H 1 1.1 . . 1 . . . . 45 LYS HD . 6583 1 493 . 1 1 46 46 LYS HD3 H 1 1.1 . . 1 . . . . 45 LYS HD . 6583 1 494 . 1 1 46 46 LYS CA C 13 59.41 . . 1 . . . . 45 LYS CA . 6583 1 495 . 1 1 46 46 LYS CB C 13 28.23 . . 1 . . . . 45 LYS CB . 6583 1 496 . 1 1 46 46 LYS CG C 13 30.1 . . 1 . . . . 45 LYS CG . 6583 1 497 . 1 1 46 46 LYS CD C 13 23.5 . . 1 . . . . 45 LYS CD . 6583 1 498 . 1 1 46 46 LYS N N 15 117.89 . . 1 . . . . 45 LYS NN . 6583 1 499 . 1 1 47 47 ASP H H 1 8.11 . . 1 . . . . 46 ASP HN . 6583 1 500 . 1 1 47 47 ASP HA H 1 4.8 . . 1 . . . . 46 ASP HA . 6583 1 501 . 1 1 47 47 ASP HB2 H 1 2.8 . . 1 . . . . 46 ASP HB . 6583 1 502 . 1 1 47 47 ASP HB3 H 1 2.8 . . 1 . . . . 46 ASP HB . 6583 1 503 . 1 1 47 47 ASP CA C 13 53.55 . . 1 . . . . 46 ASP CA . 6583 1 504 . 1 1 47 47 ASP CB C 13 41.59 . . 1 . . . . 46 ASP CB . 6583 1 505 . 1 1 47 47 ASP N N 15 119.28 . . 1 . . . . 46 ASP NN . 6583 1 506 . 1 1 48 48 VAL H H 1 8.2 . . 1 . . . . 47 VAL HN . 6583 1 507 . 1 1 48 48 VAL HA H 1 4.22 . . 1 . . . . 47 VAL HA . 6583 1 508 . 1 1 48 48 VAL HB H 1 2.34 . . 1 . . . . 47 VAL HB . 6583 1 509 . 1 1 48 48 VAL HG11 H 1 0.86 . . 1 . . . . 47 VAL HG1 . 6583 1 510 . 1 1 48 48 VAL HG12 H 1 0.86 . . 1 . . . . 47 VAL HG1 . 6583 1 511 . 1 1 48 48 VAL HG13 H 1 0.86 . . 1 . . . . 47 VAL HG1 . 6583 1 512 . 1 1 48 48 VAL HG21 H 1 0.94 . . 1 . . . . 47 VAL HG2 . 6583 1 513 . 1 1 48 48 VAL HG22 H 1 0.94 . . 1 . . . . 47 VAL HG2 . 6583 1 514 . 1 1 48 48 VAL HG23 H 1 0.94 . . 1 . . . . 47 VAL HG2 . 6583 1 515 . 1 1 48 48 VAL CA C 13 61.87 . . 1 . . . . 47 VAL CA . 6583 1 516 . 1 1 48 48 VAL CB C 13 31.28 . . 1 . . . . 47 VAL CB . 6583 1 517 . 1 1 48 48 VAL CG1 C 13 21.55 . . 1 . . . . 47 VAL CG1 . 6583 1 518 . 1 1 48 48 VAL CG2 C 13 19.33 . . 1 . . . . 47 VAL CG2 . 6583 1 519 . 1 1 48 48 VAL N N 15 117.85 . . 1 . . . . 47 VAL NN . 6583 1 520 . 1 1 49 49 GLN H H 1 8.30 . . 1 . . . . 48 GLN HN . 6583 1 521 . 1 1 49 49 GLN HA H 1 4.28 . . 1 . . . . 48 GLN HA . 6583 1 522 . 1 1 49 49 GLN HB2 H 1 2.09 . . 1 . . . . 48 GLN HB . 6583 1 523 . 1 1 49 49 GLN HB3 H 1 2.09 . . 1 . . . . 48 GLN HB . 6583 1 524 . 1 1 49 49 GLN HG2 H 1 2.34 . . 1 . . . . 48 GLN HG . 6583 1 525 . 1 1 49 49 GLN HG3 H 1 2.34 . . 1 . . . . 48 GLN HG . 6583 1 526 . 1 1 49 49 GLN CA C 13 56.71 . . 1 . . . . 48 GLN CA . 6583 1 527 . 1 1 49 49 GLN CB C 13 29.40 . . 1 . . . . 48 GLN CB . 6583 1 528 . 1 1 49 49 GLN CG C 13 33.98 . . 1 . . . . 48 GLN CG . 6583 1 529 . 1 1 49 49 GLN N N 15 120.09 . . 1 . . . . 48 GLN NN . 6583 1 530 . 1 1 50 50 LYS H H 1 7.97 . . 1 . . . . 49 LYS HN . 6583 1 531 . 1 1 50 50 LYS HA H 1 4.28 . . 1 . . . . 49 LYS HA . 6583 1 532 . 1 1 50 50 LYS HB2 H 1 1.75 . . 1 . . . . 49 LYS HB . 6583 1 533 . 1 1 50 50 LYS HB3 H 1 1.75 . . 1 . . . . 49 LYS HB . 6583 1 534 . 1 1 50 50 LYS HG2 H 1 2.15 . . 1 . . . . 49 LYS HG . 6583 1 535 . 1 1 50 50 LYS HG3 H 1 2.15 . . 1 . . . . 49 LYS HG . 6583 1 536 . 1 1 50 50 LYS HE2 H 1 2.95 . . 1 . . . . 49 LYS HE . 6583 1 537 . 1 1 50 50 LYS HE3 H 1 2.95 . . 1 . . . . 49 LYS HE . 6583 1 538 . 1 1 50 50 LYS CA C 13 57.77 . . 1 . . . . 49 LYS CA . 6583 1 539 . 1 1 50 50 LYS CB C 13 32.92 . . 1 . . . . 49 LYS CB . 6583 1 540 . 1 1 50 50 LYS CG C 13 24.60 . . 1 . . . . 49 LYS CG . 6583 1 541 . 1 1 50 50 LYS CD C 13 29.17 . . 1 . . . . 49 LYS CD . 6583 1 542 . 1 1 50 50 LYS CE C 13 42.06 . . 1 . . . . 49 LYS CE . 6583 1 543 . 1 1 50 50 LYS N N 15 120.13 . . 1 . . . . 49 LYS NN . 6583 1 544 . 1 1 51 51 ASP H H 1 7.58 . . 1 . . . . 50 ASP HN . 6583 1 545 . 1 1 51 51 ASP HA H 1 4.77 . . 1 . . . . 50 ASP HA . 6583 1 546 . 1 1 51 51 ASP HB2 H 1 2.77 . . 1 . . . . 50 ASP HB2 . 6583 1 547 . 1 1 51 51 ASP HB3 H 1 2.53 . . 1 . . . . 50 ASP HB3 . 6583 1 548 . 1 1 51 51 ASP CA C 13 52.84 . . 1 . . . . 50 ASP CA . 6583 1 549 . 1 1 51 51 ASP CB C 13 41.83 . . 1 . . . . 50 ASP CB . 6583 1 550 . 1 1 51 51 ASP N N 15 118.43 . . 1 . . . . 50 ASP NN . 6583 1 551 . 1 1 52 52 ALA H H 1 8.20 . . 1 . . . . 51 ALA HN . 6583 1 552 . 1 1 52 52 ALA HA H 1 4.22 . . 1 . . . . 51 ALA HA . 6583 1 553 . 1 1 52 52 ALA HB1 H 1 1.50 . . 1 . . . . 51 ALA HB . 6583 1 554 . 1 1 52 52 ALA HB2 H 1 1.50 . . 1 . . . . 51 ALA HB . 6583 1 555 . 1 1 52 52 ALA HB3 H 1 1.50 . . 1 . . . . 51 ALA HB . 6583 1 556 . 1 1 52 52 ALA CA C 13 57.80 . . 1 . . . . 51 ALA CA . 6583 1 557 . 1 1 52 52 ALA CB C 13 18.00 . . 1 . . . . 51 ALA CB . 6583 1 558 . 1 1 52 52 ALA N N 15 117.85 . . 1 . . . . 51 ALA NN . 6583 1 559 . 1 1 53 53 ASP H H 1 8.34 . . 1 . . . . 52 ASP HN . 6583 1 560 . 1 1 53 53 ASP HA H 1 4.48 . . 1 . . . . 52 ASP HA . 6583 1 561 . 1 1 53 53 ASP HB2 H 1 3.18 . . 1 . . . . 52 ASP HB2 . 6583 1 562 . 1 1 53 53 ASP HB3 H 1 2.86 . . 1 . . . . 52 ASP HB3 . 6583 1 563 . 1 1 53 53 ASP CA C 13 54.72 . . 1 . . . . 52 ASP CA . 6583 1 564 . 1 1 53 53 ASP CB C 13 40.89 . . 1 . . . . 52 ASP CB . 6583 1 565 . 1 1 53 53 ASP N N 15 116.99 . . 1 . . . . 52 ASP NN . 6583 1 566 . 1 1 54 54 ALA H H 1 7.67 . . 1 . . . . 53 ALA HN . 6583 1 567 . 1 1 54 54 ALA HA H 1 3.98 . . 1 . . . . 53 ALA HA . 6583 1 568 . 1 1 54 54 ALA HB1 H 1 1.55 . . 1 . . . . 53 ALA HB . 6583 1 569 . 1 1 54 54 ALA HB2 H 1 1.55 . . 1 . . . . 53 ALA HB . 6583 1 570 . 1 1 54 54 ALA HB3 H 1 1.55 . . 1 . . . . 53 ALA HB . 6583 1 571 . 1 1 54 54 ALA CA C 13 55.89 . . 1 . . . . 53 ALA CA . 6583 1 572 . 1 1 54 54 ALA CB C 13 19.09 . . 1 . . . . 53 ALA CB . 6583 1 573 . 1 1 54 54 ALA N N 15 123.37 . . 1 . . . . 53 ALA NN . 6583 1 574 . 1 1 55 55 VAL H H 1 8.12 . . 1 . . . . 54 VAL HN . 6583 1 575 . 1 1 55 55 VAL HA H 1 3.46 . . 1 . . . . 54 VAL HA . 6583 1 576 . 1 1 55 55 VAL HB H 1 2.12 . . 1 . . . . 54 VAL HB . 6583 1 577 . 1 1 55 55 VAL HG11 H 1 1.05 . . 1 . . . . 54 VAL HG1 . 6583 1 578 . 1 1 55 55 VAL HG12 H 1 1.05 . . 1 . . . . 54 VAL HG1 . 6583 1 579 . 1 1 55 55 VAL HG13 H 1 1.05 . . 1 . . . . 54 VAL HG1 . 6583 1 580 . 1 1 55 55 VAL HG21 H 1 0.94 . . 1 . . . . 54 VAL HG2 . 6583 1 581 . 1 1 55 55 VAL HG22 H 1 0.94 . . 1 . . . . 54 VAL HG2 . 6583 1 582 . 1 1 55 55 VAL HG23 H 1 0.94 . . 1 . . . . 54 VAL HG2 . 6583 1 583 . 1 1 55 55 VAL CA C 13 66.67 . . 1 . . . . 54 VAL CA . 6583 1 584 . 1 1 55 55 VAL CB C 13 31.05 . . 1 . . . . 54 VAL CB . 6583 1 585 . 1 1 55 55 VAL CG1 C 13 23.03 . . 1 . . . . 54 VAL CG1 . 6583 1 586 . 1 1 55 55 VAL CG2 C 13 21.44 . . 1 . . . . 54 VAL CG2 . 6583 1 587 . 1 1 55 55 VAL N N 15 116.36 . . 1 . . . . 54 VAL NN . 6583 1 588 . 1 1 56 56 ASP H H 1 7.71 . . 1 . . . . 55 ASP HN . 6583 1 589 . 1 1 56 56 ASP HA H 1 4.19 . . 1 . . . . 55 ASP HA . 6583 1 590 . 1 1 56 56 ASP HB2 H 1 3.24 . . 1 . . . . 55 ASP HB2 . 6583 1 591 . 1 1 56 56 ASP HB3 H 1 2.75 . . 1 . . . . 55 ASP HB3 . 6583 1 592 . 1 1 56 56 ASP CA C 13 57.77 . . 1 . . . . 55 ASP CA . 6583 1 593 . 1 1 56 56 ASP CB C 13 40.89 . . 1 . . . . 55 ASP CB . 6583 1 594 . 1 1 56 56 ASP N N 15 121.19 . . 1 . . . . 55 ASP NN . 6583 1 595 . 1 1 57 57 LYS H H 1 7.80 . . 1 . . . . 56 LYS HN . 6583 1 596 . 1 1 57 57 LYS HA H 1 3.98 . . 1 . . . . 56 LYS HA . 6583 1 597 . 1 1 57 57 LYS HB2 H 1 2.26 . . 1 . . . . 56 LYS HB2 . 6583 1 598 . 1 1 57 57 LYS HB3 H 1 1.86 . . 1 . . . . 56 LYS HB3 . 6583 1 599 . 1 1 57 57 LYS HG2 H 1 1.60 . . 1 . . . . 56 LYS HG . 6583 1 600 . 1 1 57 57 LYS HG3 H 1 1.60 . . 1 . . . . 56 LYS HG . 6583 1 601 . 1 1 57 57 LYS HD2 H 1 1.52 . . 1 . . . . 56 LYS HD . 6583 1 602 . 1 1 57 57 LYS HD3 H 1 1.52 . . 1 . . . . 56 LYS HD . 6583 1 603 . 1 1 57 57 LYS HE2 H 1 2.79 . . 1 . . . . 56 LYS HE . 6583 1 604 . 1 1 57 57 LYS HE3 H 1 2.79 . . 1 . . . . 56 LYS HE . 6583 1 605 . 1 1 57 57 LYS CA C 13 59.88 . . 1 . . . . 56 LYS CA . 6583 1 606 . 1 1 57 57 LYS CB C 13 32.57 . . 1 . . . . 56 LYS CB . 6583 1 607 . 1 1 57 57 LYS CG C 13 29.29 . . 1 . . . . 56 LYS CG . 6583 1 608 . 1 1 57 57 LYS CD C 13 25.30 . . 1 . . . . 56 LYS CD . 6583 1 609 . 1 1 57 57 LYS CE C 13 41.95 . . 1 . . . . 56 LYS CE . 6583 1 610 . 1 1 57 57 LYS N N 15 120.04 . . 1 . . . . 56 LYS NN . 6583 1 611 . 1 1 58 58 ILE H H 1 8.01 . . 1 . . . . 57 ILE HN . 6583 1 612 . 1 1 58 58 ILE HA H 1 3.76 . . 1 . . . . 57 ILE HA . 6583 1 613 . 1 1 58 58 ILE HB H 1 1.79 . . 1 . . . . 57 ILE HB . 6583 1 614 . 1 1 58 58 ILE HG12 H 1 1.82 . . 1 . . . . 57 ILE HG1# . 6583 1 615 . 1 1 58 58 ILE HG13 H 1 1.82 . . 1 . . . . 57 ILE HG1# . 6583 1 616 . 1 1 58 58 ILE HG21 H 1 1.01 . . 1 . . . . 57 ILE HG2 . 6583 1 617 . 1 1 58 58 ILE HG22 H 1 1.01 . . 1 . . . . 57 ILE HG2 . 6583 1 618 . 1 1 58 58 ILE HG23 H 1 1.01 . . 1 . . . . 57 ILE HG2 . 6583 1 619 . 1 1 58 58 ILE HD11 H 1 0.80 . . 1 . . . . 57 ILE HD1 . 6583 1 620 . 1 1 58 58 ILE HD12 H 1 0.80 . . 1 . . . . 57 ILE HD1 . 6583 1 621 . 1 1 58 58 ILE HD13 H 1 0.80 . . 1 . . . . 57 ILE HD1 . 6583 1 622 . 1 1 58 58 ILE CA C 13 64.80 . . 1 . . . . 57 ILE CA . 6583 1 623 . 1 1 58 58 ILE CB C 13 38.19 . . 1 . . . . 57 ILE CB . 6583 1 624 . 1 1 58 58 ILE CG1 C 13 29.17 . . 1 . . . . 57 ILE CG1 . 6583 1 625 . 1 1 58 58 ILE CG2 C 13 17.80 . . 1 . . . . 57 ILE CG2 . 6583 1 626 . 1 1 58 58 ILE CD1 C 13 13.93 . . 1 . . . . 57 ILE CD1 . 6583 1 627 . 1 1 58 58 ILE N N 15 120.96 . . 1 . . . . 57 ILE NN . 6583 1 628 . 1 1 59 59 MET H H 1 8.54 . . 1 . . . . 58 MET HN . 6583 1 629 . 1 1 59 59 MET HA H 1 3.95 . . 1 . . . . 58 MET HA . 6583 1 630 . 1 1 59 59 MET HB2 H 1 2.04 . . 1 . . . . 58 MET HB . 6583 1 631 . 1 1 59 59 MET HB3 H 1 2.04 . . 1 . . . . 58 MET HB . 6583 1 632 . 1 1 59 59 MET HG2 H 1 1.90 . . 1 . . . . 58 MET HG . 6583 1 633 . 1 1 59 59 MET HG3 H 1 1.90 . . 1 . . . . 58 MET HG . 6583 1 634 . 1 1 59 59 MET CA C 13 58.94 . . 1 . . . . 58 MET CA . 6583 1 635 . 1 1 59 59 MET CB C 13 31.28 . . 1 . . . . 58 MET CB . 6583 1 636 . 1 1 59 59 MET CE C 13 17.80 . . 1 . . . . 58 MET CE . 6583 1 637 . 1 1 59 59 MET N N 15 119.81 . . 1 . . . . 58 MET NN . 6583 1 638 . 1 1 60 60 LYS H H 1 7.55 . . 1 . . . . 59 LYS HN . 6583 1 639 . 1 1 60 60 LYS HA H 1 4 . . 1 . . . . 59 LYS HA . 6583 1 640 . 1 1 60 60 LYS HB2 H 1 2.47 . . 1 . . . . 59 LYS HB2 . 6583 1 641 . 1 1 60 60 LYS HB3 H 1 1.90 . . 1 . . . . 59 LYS HB3 . 6583 1 642 . 1 1 60 60 LYS HG2 H 1 1.49 . . 1 . . . . 59 LYS HG . 6583 1 643 . 1 1 60 60 LYS HG3 H 1 1.49 . . 1 . . . . 59 LYS HG . 6583 1 644 . 1 1 60 60 LYS HD2 H 1 2.15 . . 1 . . . . 59 LYS HD . 6583 1 645 . 1 1 60 60 LYS HD3 H 1 2.15 . . 1 . . . . 59 LYS HD . 6583 1 646 . 1 1 60 60 LYS HE2 H 1 3.02 . . 1 . . . . 59 LYS HE . 6583 1 647 . 1 1 60 60 LYS HE3 H 1 3.02 . . 1 . . . . 59 LYS HE . 6583 1 648 . 1 1 60 60 LYS CA C 13 58.94 . . 1 . . . . 59 LYS CA . 6583 1 649 . 1 1 60 60 LYS CB C 13 32.22 . . 1 . . . . 59 LYS CB . 6583 1 650 . 1 1 60 60 LYS CG C 13 25.10 . . 1 . . . . 59 LYS CG . 6583 1 651 . 1 1 60 60 LYS CD C 13 30.25 . . 1 . . . . 59 LYS CD . 6583 1 652 . 1 1 60 60 LYS CE C 13 42.00 . . 1 . . . . 59 LYS CE . 6583 1 653 . 1 1 60 60 LYS N N 15 116.65 . . 1 . . . . 59 LYS NN . 6583 1 654 . 1 1 61 61 GLU H H 1 7.56 . . 1 . . . . 60 GLU HN . 6583 1 655 . 1 1 61 61 GLU HA H 1 4.08 . . 1 . . . . 60 GLU HA . 6583 1 656 . 1 1 61 61 GLU HB2 H 1 2.04 . . 1 . . . . 60 GLU HB . 6583 1 657 . 1 1 61 61 GLU HB3 H 1 2.04 . . 1 . . . . 60 GLU HB . 6583 1 658 . 1 1 61 61 GLU HG2 H 1 2.35 . . 1 . . . . 60 GLU HG . 6583 1 659 . 1 1 61 61 GLU HG3 H 1 2.35 . . 1 . . . . 60 GLU HG . 6583 1 660 . 1 1 61 61 GLU CA C 13 58.70 . . 1 . . . . 60 GLU CA . 6583 1 661 . 1 1 61 61 GLU CB C 13 30.11 . . 1 . . . . 60 GLU CB . 6583 1 662 . 1 1 61 61 GLU CG C 13 36.20 . . 1 . . . . 60 GLU CG . 6583 1 663 . 1 1 61 61 GLU N N 15 117.58 . . 1 . . . . 60 GLU NN . 6583 1 664 . 1 1 62 62 LEU H H 1 8.21 . . 1 . . . . 61 LEU HN . 6583 1 665 . 1 1 62 62 LEU HA H 1 4.44 . . 1 . . . . 61 LEU HA . 6583 1 666 . 1 1 62 62 LEU HB2 H 1 1.82 . . 1 . . . . 61 LEU HB . 6583 1 667 . 1 1 62 62 LEU HB3 H 1 1.82 . . 1 . . . . 61 LEU HB . 6583 1 668 . 1 1 62 62 LEU HG H 1 2.15 . . 1 . . . . 61 LEU HG . 6583 1 669 . 1 1 62 62 LEU HD11 H 1 0.85 . . 1 . . . . 61 LEU HD1 . 6583 1 670 . 1 1 62 62 LEU HD12 H 1 0.85 . . 1 . . . . 61 LEU HD1 . 6583 1 671 . 1 1 62 62 LEU HD13 H 1 0.85 . . 1 . . . . 61 LEU HD1 . 6583 1 672 . 1 1 62 62 LEU HD21 H 1 0.85 . . 1 . . . . 61 LEU HD2 . 6583 1 673 . 1 1 62 62 LEU HD22 H 1 0.85 . . 1 . . . . 61 LEU HD2 . 6583 1 674 . 1 1 62 62 LEU HD23 H 1 0.85 . . 1 . . . . 61 LEU HD2 . 6583 1 675 . 1 1 62 62 LEU CA C 13 55.42 . . 1 . . . . 61 LEU CA . 6583 1 676 . 1 1 62 62 LEU CB C 13 44.05 . . 1 . . . . 61 LEU CB . 6583 1 677 . 1 1 62 62 LEU CG C 13 28.50 . . 1 . . . . 61 LEU CG . 6583 1 678 . 1 1 62 62 LEU CD1 C 13 26.80 . . 1 . . . . 61 LEU CD1 . 6583 1 679 . 1 1 62 62 LEU CD2 C 13 26.80 . . 1 . . . . 61 LEU CD2 . 6583 1 680 . 1 1 62 62 LEU N N 15 117.48 . . 1 . . . . 61 LEU NN . 6583 1 681 . 1 1 63 63 ASP H H 1 7.97 . . 1 . . . . 62 ASP HN . 6583 1 682 . 1 1 63 63 ASP HA H 1 4.65 . . 1 . . . . 62 ASP HA . 6583 1 683 . 1 1 63 63 ASP HB2 H 1 2.86 . . 1 . . . . 62 ASP HB2 . 6583 1 684 . 1 1 63 63 ASP HB3 H 1 2.42 . . 1 . . . . 62 ASP HB3 . 6583 1 685 . 1 1 63 63 ASP CA C 13 53.78 . . 1 . . . . 62 ASP CA . 6583 1 686 . 1 1 63 63 ASP CB C 13 39.02 . . 1 . . . . 62 ASP CB . 6583 1 687 . 1 1 63 63 ASP N N 15 117.56 . . 1 . . . . 62 ASP NN . 6583 1 688 . 1 1 64 64 GLU H H 1 8.38 . . 1 . . . . 63 GLU HN . 6583 1 689 . 1 1 64 64 GLU HA H 1 4.06 . . 1 . . . . 63 GLU HA . 6583 1 690 . 1 1 64 64 GLU HB2 H 1 2.47 . . 1 . . . . 63 GLU HB2 . 6583 1 691 . 1 1 64 64 GLU HB3 H 1 2.12 . . 1 . . . . 63 GLU HB3 . 6583 1 692 . 1 1 64 64 GLU HG2 H 1 2.39 . . 1 . . . . 63 GLU HG . 6583 1 693 . 1 1 64 64 GLU HG3 H 1 2.39 . . 1 . . . . 63 GLU HG . 6583 1 694 . 1 1 64 64 GLU CA C 13 58.70 . . 1 . . . . 63 GLU CA . 6583 1 695 . 1 1 64 64 GLU CB C 13 30.58 . . 1 . . . . 63 GLU CB . 6583 1 696 . 1 1 64 64 GLU CG C 13 36.09 . . 1 . . . . 63 GLU CG . 6583 1 697 . 1 1 64 64 GLU N N 15 130.11 . . 1 . . . . 63 GLU NN . 6583 1 698 . 1 1 65 65 ASN H H 1 8.03 . . 1 . . . . 64 ASN HN . 6583 1 699 . 1 1 65 65 ASN HA H 1 4.77 . . 1 . . . . 64 ASN HA . 6583 1 700 . 1 1 65 65 ASN HB2 H 1 2.94 . . 1 . . . . 64 ASN HB2 . 6583 1 701 . 1 1 65 65 ASN HB3 H 1 3.27 . . 1 . . . . 64 ASN HB3 . 6583 1 702 . 1 1 65 65 ASN CA C 13 52.14 . . 1 . . . . 64 ASN CA . 6583 1 703 . 1 1 65 65 ASN CB C 13 37.37 . . 1 . . . . 64 ASN CB . 6583 1 704 . 1 1 65 65 ASN N N 15 113.98 . . 1 . . . . 64 ASN NN . 6583 1 705 . 1 1 66 66 GLY H H 1 7.56 . . 1 . . . . 65 GLY HN . 6583 1 706 . 1 1 66 66 GLY HA2 H 1 3.84 . . 1 . . . . 65 GLY HA . 6583 1 707 . 1 1 66 66 GLY HA3 H 1 3.84 . . 1 . . . . 65 GLY HA . 6583 1 708 . 1 1 66 66 GLY CA C 13 47.69 . . 1 . . . . 65 GLY CA . 6583 1 709 . 1 1 66 66 GLY N N 15 109.79 . . 1 . . . . 65 GLY NN . 6583 1 710 . 1 1 67 67 ASP H H 1 8.13 . . 1 . . . . 66 ASP HN . 6583 1 711 . 1 1 67 67 ASP HA H 1 4.62 . . 1 . . . . 66 ASP HA . 6583 1 712 . 1 1 67 67 ASP HB2 H 1 2.20 . . 1 . . . . 66 ASP HB2 . 6583 1 713 . 1 1 67 67 ASP HB3 H 1 2.95 . . 1 . . . . 66 ASP HB3 . 6583 1 714 . 1 1 67 67 ASP CA C 13 53.50 . . 1 . . . . 66 ASP CA . 6583 1 715 . 1 1 67 67 ASP CB C 13 40.61 . . 1 . . . . 66 ASP CB . 6583 1 716 . 1 1 67 67 ASP N N 15 119.95 . . 1 . . . . 66 ASP NN . 6583 1 717 . 1 1 68 68 GLY H H 1 10.30 . . 1 . . . . 67 GLY HN . 6583 1 718 . 1 1 68 68 GLY HA2 H 1 3.46 . . 1 . . . . 67 GLY HA2 . 6583 1 719 . 1 1 68 68 GLY HA3 H 1 4.11 . . 1 . . . . 67 GLY HA3 . 6583 1 720 . 1 1 68 68 GLY CA C 13 45.81 . . 1 . . . . 67 GLY CA . 6583 1 721 . 1 1 68 68 GLY N N 15 113.96 . . 1 . . . . 67 GLY NN . 6583 1 722 . 1 1 69 69 GLU H H 1 7.76 . . 1 . . . . 68 GLU HN . 6583 1 723 . 1 1 69 69 GLU HA H 1 4.88 . . 1 . . . . 68 GLU HA . 6583 1 724 . 1 1 69 69 GLU HB2 H 1 1.55 . . 1 . . . . 68 GLU HB2 . 6583 1 725 . 1 1 69 69 GLU HB3 H 1 2.01 . . 1 . . . . 68 GLU HB3 . 6583 1 726 . 1 1 69 69 GLU HG2 H 1 2.15 . . 1 . . . . 68 GLU HG . 6583 1 727 . 1 1 69 69 GLU HG3 H 1 2.15 . . 1 . . . . 68 GLU HG . 6583 1 728 . 1 1 69 69 GLU CA C 13 54.62 . . 1 . . . . 68 GLU CA . 6583 1 729 . 1 1 69 69 GLU CB C 13 36.44 . . 1 . . . . 68 GLU CB . 6583 1 730 . 1 1 69 69 GLU CG C 13 37.61 . . 1 . . . . 68 GLU CG . 6583 1 731 . 1 1 69 69 GLU N N 15 117.75 . . 1 . . . . 68 GLU NN . 6583 1 732 . 1 1 70 70 VAL H H 1 9.33 . . 1 . . . . 69 VAL HN . 6583 1 733 . 1 1 70 70 VAL HA H 1 5.29 . . 1 . . . . 69 VAL HA . 6583 1 734 . 1 1 70 70 VAL HB H 1 2.20 . . 1 . . . . 69 VAL HB . 6583 1 735 . 1 1 70 70 VAL HG11 H 1 1.27 . . 1 . . . . 69 VAL HG1 . 6583 1 736 . 1 1 70 70 VAL HG12 H 1 1.27 . . 1 . . . . 69 VAL HG1 . 6583 1 737 . 1 1 70 70 VAL HG13 H 1 1.27 . . 1 . . . . 69 VAL HG1 . 6583 1 738 . 1 1 70 70 VAL HG21 H 1 1.07 . . 1 . . . . 69 VAL HG2 . 6583 1 739 . 1 1 70 70 VAL HG22 H 1 1.07 . . 1 . . . . 69 VAL HG2 . 6583 1 740 . 1 1 70 70 VAL HG23 H 1 1.07 . . 1 . . . . 69 VAL HG2 . 6583 1 741 . 1 1 70 70 VAL CA C 13 61.28 . . 1 . . . . 69 VAL CA . 6583 1 742 . 1 1 70 70 VAL CB C 13 34.09 . . 1 . . . . 69 VAL CB . 6583 1 743 . 1 1 70 70 VAL CG1 C 13 22.37 . . 1 . . . . 69 VAL CG1 . 6583 1 744 . 1 1 70 70 VAL CG2 C 13 23.37 . . 1 . . . . 69 VAL CG2 . 6583 1 745 . 1 1 70 70 VAL N N 15 125.62 . . 1 . . . . 69 VAL NN . 6583 1 746 . 1 1 71 71 ASP H H 1 9.12 . . 1 . . . . 70 ASP HN . 6583 1 747 . 1 1 71 71 ASP HA H 1 5.23 . . 1 . . . . 70 ASP HA . 6583 1 748 . 1 1 71 71 ASP HB2 H 1 2.69 . . 1 . . . . 70 ASP HB2 . 6583 1 749 . 1 1 71 71 ASP HB3 H 1 3.46 . . 1 . . . . 70 ASP HB3 . 6583 1 750 . 1 1 71 71 ASP CA C 13 52.84 . . 1 . . . . 70 ASP CA . 6583 1 751 . 1 1 71 71 ASP CB C 13 41.83 . . 1 . . . . 70 ASP CB . 6583 1 752 . 1 1 71 71 ASP N N 15 130.14 . . 1 . . . . 70 ASP NN . 6583 1 753 . 1 1 72 72 PHE H H 1 9.04 . . 1 . . . . 71 PHE HN . 6583 1 754 . 1 1 72 72 PHE HA H 1 3.95 . . 1 . . . . 71 PHE HA . 6583 1 755 . 1 1 72 72 PHE HB2 H 1 2.65 . . 1 . . . . 71 PHE HB . 6583 1 756 . 1 1 72 72 PHE HB3 H 1 2.65 . . 1 . . . . 71 PHE HB . 6583 1 757 . 1 1 72 72 PHE HD1 H 1 6.50 . . 1 . . . . 71 PHE HD1 . 6583 1 758 . 1 1 72 72 PHE HD2 H 1 6.50 . . 1 . . . . 71 PHE HD2 . 6583 1 759 . 1 1 72 72 PHE CA C 13 61.96 . . 1 . . . . 71 PHE CA . 6583 1 760 . 1 1 72 72 PHE CB C 13 39.22 . . 1 . . . . 71 PHE CB . 6583 1 761 . 1 1 72 72 PHE CD1 C 13 132.00 . . 1 . . . . 71 PHE CD1 . 6583 1 762 . 1 1 72 72 PHE CD2 C 13 132.00 . . 1 . . . . 71 PHE CD2 . 6583 1 763 . 1 1 72 72 PHE N N 15 119.34 . . 1 . . . . 71 PHE NN . 6583 1 764 . 1 1 73 73 GLN HA H 1 4.35 . . 1 . . . . 72 GLN HA . 6583 1 765 . 1 1 73 73 GLN HB2 H 1 2.10 . . 1 . . . . 72 GLN HB . 6583 1 766 . 1 1 73 73 GLN HB3 H 1 2.10 . . 1 . . . . 72 GLN HB . 6583 1 767 . 1 1 73 73 GLN HG2 H 1 2.95 . . 1 . . . . 72 GLN HG . 6583 1 768 . 1 1 73 73 GLN HG3 H 1 2.95 . . 1 . . . . 72 GLN HG . 6583 1 769 . 1 1 73 73 GLN CA C 13 58.35 . . 1 . . . . 72 GLN CA . 6583 1 770 . 1 1 73 73 GLN CB C 13 29.52 . . 1 . . . . 72 GLN CB . 6583 1 771 . 1 1 73 73 GLN CG C 13 35.97 . . 1 . . . . 72 GLN CG . 6583 1 772 . 1 1 74 74 GLU H H 1 8.14 . . 1 . . . . 73 GLU HN . 6583 1 773 . 1 1 74 74 GLU HA H 1 4.20 . . 1 . . . . 73 GLU HA . 6583 1 774 . 1 1 74 74 GLU HB2 H 1 2.10 . . 1 . . . . 73 GLU HB . 6583 1 775 . 1 1 74 74 GLU HB3 H 1 2.10 . . 1 . . . . 73 GLU HB . 6583 1 776 . 1 1 74 74 GLU HG2 H 1 2.30 . . 1 . . . . 73 GLU HG . 6583 1 777 . 1 1 74 74 GLU HG3 H 1 2.30 . . 1 . . . . 73 GLU HG . 6583 1 778 . 1 1 74 74 GLU CA C 13 58.70 . . 1 . . . . 73 GLU CA . 6583 1 779 . 1 1 74 74 GLU CB C 13 30.11 . . 1 . . . . 73 GLU CB . 6583 1 780 . 1 1 74 74 GLU CG C 13 36.79 . . 1 . . . . 73 GLU CG . 6583 1 781 . 1 1 74 74 GLU N N 15 116.63 . . 1 . . . . 73 GLU NN . 6583 1 782 . 1 1 75 75 PHE H H 1 8.55 . . 1 . . . . 74 PHE HN . 6583 1 783 . 1 1 75 75 PHE HA H 1 4.06 . . 1 . . . . 74 PHE HA . 6583 1 784 . 1 1 75 75 PHE HB2 H 1 3.08 . . 1 . . . . 74 PHE HB . 6583 1 785 . 1 1 75 75 PHE HB3 H 1 3.08 . . 1 . . . . 74 PHE HB . 6583 1 786 . 1 1 75 75 PHE CA C 13 60.35 . . 1 . . . . 74 PHE CA . 6583 1 787 . 1 1 75 75 PHE CB C 13 37.95 . . 1 . . . . 74 PHE CB . 6583 1 788 . 1 1 75 75 PHE N N 15 120.49 . . 1 . . . . 74 PHE NN . 6583 1 789 . 1 1 76 76 VAL H H 1 8.43 . . 1 . . . . 75 VAL HN . 6583 1 790 . 1 1 76 76 VAL HA H 1 3.10 . . 1 . . . . 75 VAL HA . 6583 1 791 . 1 1 76 76 VAL HB H 1 1.35 . . 1 . . . . 75 VAL HB . 6583 1 792 . 1 1 76 76 VAL HG11 H 1 1.08 . . 1 . . . . 75 VAL HG1 . 6583 1 793 . 1 1 76 76 VAL HG12 H 1 1.08 . . 1 . . . . 75 VAL HG1 . 6583 1 794 . 1 1 76 76 VAL HG13 H 1 1.08 . . 1 . . . . 75 VAL HG1 . 6583 1 795 . 1 1 76 76 VAL HG21 H 1 1.08 . . 1 . . . . 75 VAL HG2 . 6583 1 796 . 1 1 76 76 VAL HG22 H 1 1.08 . . 1 . . . . 75 VAL HG2 . 6583 1 797 . 1 1 76 76 VAL HG23 H 1 1.08 . . 1 . . . . 75 VAL HG2 . 6583 1 798 . 1 1 76 76 VAL CA C 13 66.63 . . 1 . . . . 75 VAL CA . 6583 1 799 . 1 1 76 76 VAL CB C 13 26.56 . . 1 . . . . 75 VAL CB . 6583 1 800 . 1 1 76 76 VAL CG1 C 13 23.96 . . 1 . . . . 75 VAL CG1 . 6583 1 801 . 1 1 76 76 VAL CG2 C 13 21.56 . . 1 . . . . 75 VAL CG2 . 6583 1 802 . 1 1 76 76 VAL N N 15 118.86 . . 1 . . . . 75 VAL NN . 6583 1 803 . 1 1 77 77 VAL H H 1 7.04 . . 1 . . . . 76 VAL HN . 6583 1 804 . 1 1 77 77 VAL HA H 1 3.44 . . 1 . . . . 76 VAL HA . 6583 1 805 . 1 1 77 77 VAL HB H 1 2.22 . . 1 . . . . 76 VAL HB . 6583 1 806 . 1 1 77 77 VAL HG11 H 1 1.05 . . 1 . . . . 76 VAL HG1 . 6583 1 807 . 1 1 77 77 VAL HG12 H 1 1.05 . . 1 . . . . 76 VAL HG1 . 6583 1 808 . 1 1 77 77 VAL HG13 H 1 1.05 . . 1 . . . . 76 VAL HG1 . 6583 1 809 . 1 1 77 77 VAL HG21 H 1 0.85 . . 1 . . . . 76 VAL HG2 . 6583 1 810 . 1 1 77 77 VAL HG22 H 1 0.85 . . 1 . . . . 76 VAL HG2 . 6583 1 811 . 1 1 77 77 VAL HG23 H 1 0.85 . . 1 . . . . 76 VAL HG2 . 6583 1 812 . 1 1 77 77 VAL CA C 13 67.09 . . 1 . . . . 76 VAL CA . 6583 1 813 . 1 1 77 77 VAL CB C 13 31.28 . . 1 . . . . 76 VAL CB . 6583 1 814 . 1 1 77 77 VAL CG1 C 13 22.72 . . 1 . . . . 76 VAL CG1 . 6583 1 815 . 1 1 77 77 VAL CG2 C 13 20.85 . . 1 . . . . 76 VAL CG2 . 6583 1 816 . 1 1 77 77 VAL N N 15 120.30 . . 1 . . . . 76 VAL NN . 6583 1 817 . 1 1 78 78 LEU H H 1 6.90 . . 1 . . . . 77 LEU HN . 6583 1 818 . 1 1 78 78 LEU HA H 1 4.05 . . 1 . . . . 77 LEU HA . 6583 1 819 . 1 1 78 78 LEU HB2 H 1 1.80 . . 1 . . . . 77 LEU HB2 . 6583 1 820 . 1 1 78 78 LEU HB3 H 1 2.10 . . 1 . . . . 77 LEU HB3 . 6583 1 821 . 1 1 78 78 LEU HG H 1 0.79 . . 1 . . . . 77 LEU HG . 6583 1 822 . 1 1 78 78 LEU HD11 H 1 0.85 . . 1 . . . . 77 LEU HD1 . 6583 1 823 . 1 1 78 78 LEU HD12 H 1 0.85 . . 1 . . . . 77 LEU HD1 . 6583 1 824 . 1 1 78 78 LEU HD13 H 1 0.85 . . 1 . . . . 77 LEU HD1 . 6583 1 825 . 1 1 78 78 LEU HD21 H 1 0.79 . . 1 . . . . 77 LEU HD2 . 6583 1 826 . 1 1 78 78 LEU HD22 H 1 0.79 . . 1 . . . . 77 LEU HD2 . 6583 1 827 . 1 1 78 78 LEU HD23 H 1 0.79 . . 1 . . . . 77 LEU HD2 . 6583 1 828 . 1 1 78 78 LEU CA C 13 57.77 . . 1 . . . . 77 LEU CA . 6583 1 829 . 1 1 78 78 LEU CB C 13 40.66 . . 1 . . . . 77 LEU CB . 6583 1 830 . 1 1 78 78 LEU CG C 13 25.30 . . 1 . . . . 77 LEU CG . 6583 1 831 . 1 1 78 78 LEU CD1 C 13 22.96 . . 1 . . . . 77 LEU CD1 . 6583 1 832 . 1 1 78 78 LEU CD2 C 13 25.30 . . 1 . . . . 77 LEU CD2 . 6583 1 833 . 1 1 78 78 LEU N N 15 120.94 . . 1 . . . . 77 LEU NN . 6583 1 834 . 1 1 79 79 VAL H H 1 7.24 . . 1 . . . . 78 VAL HN . 6583 1 835 . 1 1 79 79 VAL HA H 1 3.10 . . 1 . . . . 78 VAL HA . 6583 1 836 . 1 1 79 79 VAL HB H 1 1.65 . . 1 . . . . 78 VAL HB . 6583 1 837 . 1 1 79 79 VAL HG11 H 1 0.29 . . 1 . . . . 78 VAL HG1 . 6583 1 838 . 1 1 79 79 VAL HG12 H 1 0.29 . . 1 . . . . 78 VAL HG1 . 6583 1 839 . 1 1 79 79 VAL HG13 H 1 0.29 . . 1 . . . . 78 VAL HG1 . 6583 1 840 . 1 1 79 79 VAL HG21 H 1 0.72 . . 1 . . . . 78 VAL HG2 . 6583 1 841 . 1 1 79 79 VAL HG22 H 1 0.72 . . 1 . . . . 78 VAL HG2 . 6583 1 842 . 1 1 79 79 VAL HG23 H 1 0.72 . . 1 . . . . 78 VAL HG2 . 6583 1 843 . 1 1 79 79 VAL CA C 13 66.67 . . 1 . . . . 78 VAL CA . 6583 1 844 . 1 1 79 79 VAL CB C 13 31.51 . . 1 . . . . 78 VAL CB . 6583 1 845 . 1 1 79 79 VAL CG1 C 13 23.10 . . 1 . . . . 78 VAL CG1 . 6583 1 846 . 1 1 79 79 VAL CG2 C 13 22.72 . . 1 . . . . 78 VAL CG2 . 6583 1 847 . 1 1 79 79 VAL N N 15 117.31 . . 1 . . . . 78 VAL NN . 6583 1 848 . 1 1 80 80 ALA H H 1 8.86 . . 1 . . . . 79 ALA HN . 6583 1 849 . 1 1 80 80 ALA HA H 1 3.67 . . 1 . . . . 79 ALA HA . 6583 1 850 . 1 1 80 80 ALA HB1 H 1 1.29 . . 1 . . . . 79 ALA HB . 6583 1 851 . 1 1 80 80 ALA HB2 H 1 1.29 . . 1 . . . . 79 ALA HB . 6583 1 852 . 1 1 80 80 ALA HB3 H 1 1.29 . . 1 . . . . 79 ALA HB . 6583 1 853 . 1 1 80 80 ALA CA C 13 56.28 . . 1 . . . . 79 ALA CA . 6583 1 854 . 1 1 80 80 ALA CB C 13 17.68 . . 1 . . . . 79 ALA CB . 6583 1 855 . 1 1 80 80 ALA N N 15 125.40 . . 1 . . . . 79 ALA NN . 6583 1 856 . 1 1 81 81 ALA H H 1 8.33 . . 1 . . . . 80 ALA HN . 6583 1 857 . 1 1 81 81 ALA HA H 1 3.78 . . 1 . . . . 80 ALA HA . 6583 1 858 . 1 1 81 81 ALA HB1 H 1 1.29 . . 1 . . . . 80 ALA HB . 6583 1 859 . 1 1 81 81 ALA HB2 H 1 1.29 . . 1 . . . . 80 ALA HB . 6583 1 860 . 1 1 81 81 ALA HB3 H 1 1.29 . . 1 . . . . 80 ALA HB . 6583 1 861 . 1 1 81 81 ALA CA C 13 56.07 . . 1 . . . . 80 ALA CA . 6583 1 862 . 1 1 81 81 ALA CB C 13 17.68 . . 1 . . . . 80 ALA CB . 6583 1 863 . 1 1 81 81 ALA N N 15 118.88 . . 1 . . . . 80 ALA NN . 6583 1 864 . 1 1 82 82 LEU HA H 1 4.25 . . 1 . . . . 81 LEU HA . 6583 1 865 . 1 1 82 82 LEU HB2 H 1 2.72 . . 1 . . . . 81 LEU HB . 6583 1 866 . 1 1 82 82 LEU HB3 H 1 2.72 . . 1 . . . . 81 LEU HB . 6583 1 867 . 1 1 82 82 LEU CA C 13 60.30 . . 1 . . . . 81 LEU CA . 6583 1 868 . 1 1 82 82 LEU CB C 13 40.89 . . 1 . . . . 81 LEU CB . 6583 1 869 . 1 1 83 83 THR H H 1 8.26 . . 1 . . . . 82 THR HN . 6583 1 870 . 1 1 83 83 THR HA H 1 4.10 . . 1 . . . . 82 THR HA . 6583 1 871 . 1 1 83 83 THR HB H 1 4.25 . . 1 . . . . 82 THR HB . 6583 1 872 . 1 1 83 83 THR HG21 H 1 1.27 . . 1 . . . . 82 THR HG2 . 6583 1 873 . 1 1 83 83 THR HG22 H 1 1.27 . . 1 . . . . 82 THR HG2 . 6583 1 874 . 1 1 83 83 THR HG23 H 1 1.27 . . 1 . . . . 82 THR HG2 . 6583 1 875 . 1 1 83 83 THR CA C 13 66.60 . . 1 . . . . 82 THR CA . 6583 1 876 . 1 1 83 83 THR CB C 13 60.30 . . 1 . . . . 82 THR CB . 6583 1 877 . 1 1 83 83 THR CG2 C 13 21.83 . . 1 . . . . 82 THR CG2 . 6583 1 878 . 1 1 83 83 THR N N 15 116.69 . . 1 . . . . 82 THR NN . 6583 1 879 . 1 1 84 84 VAL H H 1 8.43 . . 1 . . . . 83 VAL HN . 6583 1 880 . 1 1 84 84 VAL HA H 1 3.98 . . 1 . . . . 83 VAL HA . 6583 1 881 . 1 1 84 84 VAL HB H 1 2.15 . . 1 . . . . 83 VAL HB . 6583 1 882 . 1 1 84 84 VAL HG11 H 1 1.17 . . 1 . . . . 83 VAL HG1 . 6583 1 883 . 1 1 84 84 VAL HG12 H 1 1.17 . . 1 . . . . 83 VAL HG1 . 6583 1 884 . 1 1 84 84 VAL HG13 H 1 1.17 . . 1 . . . . 83 VAL HG1 . 6583 1 885 . 1 1 84 84 VAL HG21 H 1 1.17 . . 1 . . . . 83 VAL HG2 . 6583 1 886 . 1 1 84 84 VAL HG22 H 1 1.17 . . 1 . . . . 83 VAL HG2 . 6583 1 887 . 1 1 84 84 VAL HG23 H 1 1.17 . . 1 . . . . 83 VAL HG2 . 6583 1 888 . 1 1 84 84 VAL CA C 13 67.59 . . 1 . . . . 83 VAL CA . 6583 1 889 . 1 1 84 84 VAL CB C 13 31.94 . . 1 . . . . 83 VAL CB . 6583 1 890 . 1 1 84 84 VAL CG1 C 13 21.44 . . 1 . . . . 83 VAL CG1 . 6583 1 891 . 1 1 84 84 VAL CG2 C 13 23.90 . . 1 . . . . 83 VAL CG2 . 6583 1 892 . 1 1 84 84 VAL N N 15 118.90 . . 1 . . . . 83 VAL NN . 6583 1 893 . 1 1 85 85 ALA H H 1 7.84 . . 1 . . . . 84 ALA HN . 6583 1 894 . 1 1 85 85 ALA HA H 1 4.12 . . 1 . . . . 84 ALA HA . 6583 1 895 . 1 1 85 85 ALA HB1 H 1 1.52 . . 1 . . . . 84 ALA HB . 6583 1 896 . 1 1 85 85 ALA HB2 H 1 1.52 . . 1 . . . . 84 ALA HB . 6583 1 897 . 1 1 85 85 ALA HB3 H 1 1.52 . . 1 . . . . 84 ALA HB . 6583 1 898 . 1 1 85 85 ALA CA C 13 55.43 . . 1 . . . . 84 ALA CA . 6583 1 899 . 1 1 85 85 ALA CB C 13 17.68 . . 1 . . . . 84 ALA CB . 6583 1 900 . 1 1 85 85 ALA N N 15 122.78 . . 1 . . . . 84 ALA NN . 6583 1 901 . 1 1 86 86 CYS H H 1 8.21 . . 1 . . . . 85 CYS HN . 6583 1 902 . 1 1 86 86 CYS HA H 1 4.19 . . 1 . . . . 85 CYS HA . 6583 1 903 . 1 1 86 86 CYS HB2 H 1 3.10 . . 1 . . . . 85 CYS HB . 6583 1 904 . 1 1 86 86 CYS HB3 H 1 3.10 . . 1 . . . . 85 CYS HB . 6583 1 905 . 1 1 86 86 CYS CA C 13 62.41 . . 1 . . . . 85 CYS CA . 6583 1 906 . 1 1 86 86 CYS CB C 13 26.78 . . 1 . . . . 85 CYS CB . 6583 1 907 . 1 1 86 86 CYS N N 15 117.48 . . 1 . . . . 85 CYS NN . 6583 1 908 . 1 1 87 87 ASN H H 1 8.13 . . 1 . . . . 86 ASN HN . 6583 1 909 . 1 1 87 87 ASN HA H 1 4.38 . . 1 . . . . 86 ASN HA . 6583 1 910 . 1 1 87 87 ASN HB2 H 1 2.47 . . 1 . . . . 86 ASN HB2 . 6583 1 911 . 1 1 87 87 ASN HB3 H 1 3.16 . . 1 . . . . 86 ASN HB3 . 6583 1 912 . 1 1 87 87 ASN CA C 13 56.83 . . 1 . . . . 86 ASN CA . 6583 1 913 . 1 1 87 87 ASN CB C 13 40.42 . . 1 . . . . 86 ASN CB . 6583 1 914 . 1 1 87 87 ASN N N 15 119.95 . . 1 . . . . 86 ASN NN . 6583 1 915 . 1 1 88 88 ASN H H 1 8.21 . . 1 . . . . 87 ASN HN . 6583 1 916 . 1 1 88 88 ASN HA H 1 4.53 . . 1 . . . . 87 ASN HA . 6583 1 917 . 1 1 88 88 ASN HB2 H 1 2.77 . . 1 . . . . 87 ASN HB . 6583 1 918 . 1 1 88 88 ASN HB3 H 1 2.77 . . 1 . . . . 87 ASN HB . 6583 1 919 . 1 1 88 88 ASN CA C 13 55.19 . . 1 . . . . 87 ASN CA . 6583 1 920 . 1 1 88 88 ASN CB C 13 38.08 . . 1 . . . . 87 ASN CB . 6583 1 921 . 1 1 88 88 ASN N N 15 118.25 . . 1 . . . . 87 ASN NN . 6583 1 922 . 1 1 89 89 PHE H H 1 7.96 . . 1 . . . . 88 PHE HN . 6583 1 923 . 1 1 89 89 PHE HA H 1 4.36 . . 1 . . . . 88 PHE HA . 6583 1 924 . 1 1 89 89 PHE HB2 H 1 2.94 . . 1 . . . . 88 PHE HB . 6583 1 925 . 1 1 89 89 PHE HB3 H 1 2.94 . . 1 . . . . 88 PHE HB . 6583 1 926 . 1 1 89 89 PHE CA C 13 59.64 . . 1 . . . . 88 PHE CA . 6583 1 927 . 1 1 89 89 PHE CB C 13 39.25 . . 1 . . . . 88 PHE CB . 6583 1 928 . 1 1 89 89 PHE N N 15 120.13 . . 1 . . . . 88 PHE NN . 6583 1 929 . 1 1 90 90 PHE H H 1 7.96 . . 1 . . . . 89 PHE HN . 6583 1 930 . 1 1 90 90 PHE HA H 1 4.36 . . 1 . . . . 89 PHE HA . 6583 1 931 . 1 1 90 90 PHE HB2 H 1 2.94 . . 1 . . . . 89 PHE HB . 6583 1 932 . 1 1 90 90 PHE HB3 H 1 2.94 . . 1 . . . . 89 PHE HB . 6583 1 933 . 1 1 90 90 PHE CA C 13 59.64 . . 1 . . . . 89 PHE CA . 6583 1 934 . 1 1 90 90 PHE CB C 13 39.25 . . 1 . . . . 89 PHE CB . 6583 1 935 . 1 1 90 90 PHE N N 15 119.44 . . 1 . . . . 89 PHE NN . 6583 1 936 . 1 1 91 91 TRP H H 1 7.63 . . 1 . . . . 90 TRP HN . 6583 1 937 . 1 1 91 91 TRP HA H 1 4.42 . . 1 . . . . 90 TRP HA . 6583 1 938 . 1 1 91 91 TRP HB2 H 1 3.27 . . 1 . . . . 90 TRP HB . 6583 1 939 . 1 1 91 91 TRP HB3 H 1 3.27 . . 1 . . . . 90 TRP HB . 6583 1 940 . 1 1 91 91 TRP CA C 13 57.72 . . 1 . . . . 90 TRP CA . 6583 1 941 . 1 1 91 91 TRP CB C 13 29.59 . . 1 . . . . 90 TRP CB . 6583 1 942 . 1 1 91 91 TRP N N 15 119.57 . . 1 . . . . 90 TRP NN . 6583 1 943 . 1 1 92 92 GLU H H 1 7.86 . . 1 . . . . 91 GLU HN . 6583 1 944 . 1 1 92 92 GLU HA H 1 4.13 . . 1 . . . . 91 GLU HA . 6583 1 945 . 1 1 92 92 GLU HB2 H 1 1.93 . . 1 . . . . 91 GLU HB . 6583 1 946 . 1 1 92 92 GLU HB3 H 1 1.93 . . 1 . . . . 91 GLU HB . 6583 1 947 . 1 1 92 92 GLU HG2 H 1 2.45 . . 1 . . . . 91 GLU HG . 6583 1 948 . 1 1 92 92 GLU HG3 H 1 2.45 . . 1 . . . . 91 GLU HG . 6583 1 949 . 1 1 92 92 GLU CA C 13 57.02 . . 1 . . . . 91 GLU CA . 6583 1 950 . 1 1 92 92 GLU CB C 13 30.11 . . 1 . . . . 91 GLU CB . 6583 1 951 . 1 1 92 92 GLU CG C 13 35.09 . . 1 . . . . 91 GLU CG . 6583 1 952 . 1 1 92 92 GLU N N 15 121.18 . . 1 . . . . 91 GLU NN . 6583 1 953 . 1 1 93 93 ASN H H 1 7.93 . . 1 . . . . 92 ASN HN . 6583 1 954 . 1 1 93 93 ASN HA H 1 4.70 . . 1 . . . . 92 ASN HA . 6583 1 955 . 1 1 93 93 ASN HB2 H 1 3.05 . . 1 . . . . 92 ASN HB . 6583 1 956 . 1 1 93 93 ASN HB3 H 1 3.05 . . 1 . . . . 92 ASN HB . 6583 1 957 . 1 1 93 93 ASN CA C 13 54.50 . . 1 . . . . 92 ASN CA . 6583 1 958 . 1 1 93 93 ASN CB C 13 39.44 . . 1 . . . . 92 ASN CB . 6583 1 959 . 1 1 93 93 ASN N N 15 119.44 . . 1 . . . . 92 ASN NN . 6583 1 960 . 1 1 94 94 SER H H 1 7.65 . . 1 . . . . 93 SER HN . 6583 1 961 . 1 1 94 94 SER HA H 1 3.78 . . 1 . . . . 93 SER HA . 6583 1 962 . 1 1 94 94 SER HB2 H 1 4.10 . . 1 . . . . 93 SER HB . 6583 1 963 . 1 1 94 94 SER HB3 H 1 4.10 . . 1 . . . . 93 SER HB . 6583 1 964 . 1 1 94 94 SER CA C 13 64.80 . . 1 . . . . 93 SER CA . 6583 1 965 . 1 1 94 94 SER CB C 13 59.20 . . 1 . . . . 93 SER CB . 6583 1 966 . 1 1 94 94 SER N N 15 122.10 . . 1 . . . . 93 SER NN . 6583 1 stop_ save_