data_6803 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6803 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the periplasmic signaling domain of FecA from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-31 _Entry.Accession_date 2005-08-31 _Entry.Last_release_date 2005-12-22 _Entry.Original_release_date 2005-12-22 _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 Alicia Garcia-Herrero . . . 6803 2 Hans Vogel . J. . 6803 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6803 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 6803 '15N chemical shifts' 107 6803 '1H chemical shifts' 672 6803 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 . . 2005-12-22 2005-08-31 original author . 6803 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D1U 'BMRB Entry Tracking System' 6803 PDB 2K1X 'BMRB Entry Tracking System' 6803 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6803 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16313612 _Citation.Full_citation . _Citation.Title ; Nuclear magnetic resonance solution structure of the periplasmic signalling domain of the TonB-dependent outer membrane transporter FecA from Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Microbiol.' _Citation.Journal_name_full . _Citation.Journal_volume 58 _Citation.Journal_issue 5 _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 1226 _Citation.Page_last 1237 _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 Alicia Garcia-Herrero . . . 6803 1 2 Hans Vogel . J. . 6803 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID FecA 6803 1 'iron uptake' 6803 1 'Surface signaling' 6803 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6803 _Assembly.ID 1 _Assembly.Name 'FecA N-terminal periplasmic signaling domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'not present' _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 6803 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 NTFecA 1 $FecA_N-terminal_periplasmic_signaling_domain . . yes native no no . . . 6803 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID 'FecA N-terminal periplamic signaling domain' . 6803 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Iron(III) Dicitrate Transport Protein FecA' 6803 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID FecA 6803 1 iron-uptake 6803 1 'surface signaling' 6803 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FecA_N-terminal_periplasmic_signaling_domain _Entity.Sf_category entity _Entity.Sf_framecode FecA_N-terminal_periplasmic_signaling_domain _Entity.Entry_ID 6803 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NTFecA _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 ; AQVNIAPGSLDKALNQYAAH SGFTLSVDASLTRGKQSNGL HGDYDVESGLQQLLDGSGLQ VKPLGNNSWTLEPAPAPKED ALTVVGDWLGDARENDLEHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The polypeptide construct contains two extra residues (LE) and a His6tag at the N-terminal end' _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11138 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1KMO . "Crystal Structure Of The Outer Membrane Transporter Feca" . . . . . 96.15 774 97.00 98.00 5.07e-57 . . . . 6803 1 2 no PDB 1KMP . "Crystal Structure Of The Outer Membrane Transporter Feca Complexed With Ferric Citrate" . . . . . 96.15 774 97.00 98.00 7.09e-57 . . . . 6803 1 3 no PDB 1PNZ . "Crystal Structure Of Ferric Citrate Transporter Feca In The Unliganded Form" . . . . . 96.15 751 97.00 98.00 8.90e-57 . . . . 6803 1 4 no PDB 1PO0 . "Crystal Structure Of Ferric Citrate Transporter Feca In Complex With Iron-Free Citrate" . . . . . 96.15 751 97.00 98.00 8.90e-57 . . . . 6803 1 5 no PDB 1PO3 . "Crystal Structure Of Ferric Citrate Transporter Feca In Complex With Ferric Citrate" . . . . . 96.15 751 97.00 98.00 8.90e-57 . . . . 6803 1 6 no PDB 1ZZV . "Solution Nmr Structure Of The Periplasmic Signaling Domain Of The Outer Membrane Iron Transporter Feca From Escherichia Coli" . . . . . 76.92 80 100.00 100.00 9.18e-49 . . . . 6803 1 7 no PDB 2D1U . "Solution Strcuture Of The Periplasmic Signaling Domain Of Feca From Escherichia Coli" . . . . . 100.00 104 100.00 100.00 1.26e-67 . . . . 6803 1 8 no DBJ BAE78282 . "ferric citrate outer membrane transporter [Escherichia coli str. K-12 substr. W3110]" . . . . . 96.15 774 97.00 98.00 5.07e-57 . . . . 6803 1 9 no DBJ BAI28590 . "putative ferric citrate outer membrane transporter fecA [Escherichia coli O26:H11 str. 11368]" . . . . . 96.15 774 97.00 98.00 4.59e-57 . . . . 6803 1 10 no DBJ BAJ46002 . "FecA protein [Escherichia coli DH1]" . . . . . 96.15 774 97.00 98.00 5.07e-57 . . . . 6803 1 11 no EMBL CAQ34637 . "outer membrane receptor; citrate-dependent iron transport, outer membrane receptor, subunit of Outer Membrane Ferric Citrate Tr" . . . . . 96.15 774 97.00 98.00 4.42e-57 . . . . 6803 1 12 no EMBL CAR06012 . "ferric citrate outer membrane transporter; KpLE2 phage-like element [Escherichia coli S88]" . . . . . 96.15 774 97.00 98.00 3.45e-57 . . . . 6803 1 13 no EMBL CAR11109 . "ferric citrate outer membrane transporter; KpLE2 phage-like element [Escherichia coli ED1a]" . . . . . 96.15 774 97.00 98.00 4.78e-57 . . . . 6803 1 14 no EMBL CAR15972 . "ferric citrate outer membrane transporter; KpLE2 phage-like element [Escherichia coli UMN026]" . . . . . 96.15 774 97.00 98.00 5.07e-57 . . . . 6803 1 15 no EMBL CAR20866 . "ferric citrate outer membrane transporter; KpLE2 phage-like element [Escherichia coli IAI39]" . . . . . 96.15 774 97.00 98.00 4.29e-57 . . . . 6803 1 16 no GB AAA23760 . "iron dicitrate transport protein precursor [Escherichia coli]" . . . . . 96.15 774 97.00 98.00 3.52e-57 . . . . 6803 1 17 no GB AAA23768 . "FecA, partial [Escherichia coli]" . . . . . 96.15 428 97.00 98.00 5.18e-59 . . . . 6803 1 18 no GB AAA97187 . "CG Site No. 783 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 96.15 774 97.00 98.00 5.07e-57 . . . . 6803 1 19 no GB AAC77247 . "TonB-dependent outer membrane ferric citrate transporter and signal transducer; ferric citrate extracelluar receptor; FecR-inte" . . . . . 96.15 774 97.00 98.00 5.07e-57 . . . . 6803 1 20 no GB AAL08456 . "FecA [Shigella flexneri 2a]" . . . . . 96.15 774 97.00 98.00 4.00e-57 . . . . 6803 1 21 no REF NP_418711 . "TonB-dependent outer membrane ferric citrate transporter and signal transducer; ferric citrate extracelluar receptor; FecR-inte" . . . . . 96.15 774 97.00 98.00 5.07e-57 . . . . 6803 1 22 no REF WP_000188246 . "MULTISPECIES: transporter [Enterobacteriaceae]" . . . . . 96.15 774 97.00 98.00 4.29e-57 . . . . 6803 1 23 no REF WP_000188247 . "transporter [Escherichia coli]" . . . . . 96.15 774 97.00 98.00 4.42e-57 . . . . 6803 1 24 no REF WP_000188248 . "MULTISPECIES: transporter [Enterobacteriaceae]" . . . . . 96.15 774 97.00 98.00 4.24e-57 . . . . 6803 1 25 no REF WP_000188249 . "transporter [Escherichia coli]" . . . . . 96.15 774 97.00 98.00 5.12e-57 . . . . 6803 1 26 no SP P13036 . "RecName: Full=Fe(3+) dicitrate transport protein FecA; AltName: Full=Iron(III) dicitrate transport protein FecA; Flags: Precurs" . . . . . 96.15 774 97.00 98.00 5.07e-57 . . . . 6803 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Iron(III) Dicitrate Transport Protein FecA' 6803 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID FecA 6803 1 Iron-uptake 6803 1 'surface signaling' 6803 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 . ALA . 6803 1 2 . GLN . 6803 1 3 . VAL . 6803 1 4 . ASN . 6803 1 5 . ILE . 6803 1 6 . ALA . 6803 1 7 . PRO . 6803 1 8 . GLY . 6803 1 9 . SER . 6803 1 10 . LEU . 6803 1 11 . ASP . 6803 1 12 . LYS . 6803 1 13 . ALA . 6803 1 14 . LEU . 6803 1 15 . ASN . 6803 1 16 . GLN . 6803 1 17 . TYR . 6803 1 18 . ALA . 6803 1 19 . ALA . 6803 1 20 . HIS . 6803 1 21 . SER . 6803 1 22 . GLY . 6803 1 23 . PHE . 6803 1 24 . THR . 6803 1 25 . LEU . 6803 1 26 . SER . 6803 1 27 . VAL . 6803 1 28 . ASP . 6803 1 29 . ALA . 6803 1 30 . SER . 6803 1 31 . LEU . 6803 1 32 . THR . 6803 1 33 . ARG . 6803 1 34 . GLY . 6803 1 35 . LYS . 6803 1 36 . GLN . 6803 1 37 . SER . 6803 1 38 . ASN . 6803 1 39 . GLY . 6803 1 40 . LEU . 6803 1 41 . HIS . 6803 1 42 . GLY . 6803 1 43 . ASP . 6803 1 44 . TYR . 6803 1 45 . ASP . 6803 1 46 . VAL . 6803 1 47 . GLU . 6803 1 48 . SER . 6803 1 49 . GLY . 6803 1 50 . LEU . 6803 1 51 . GLN . 6803 1 52 . GLN . 6803 1 53 . LEU . 6803 1 54 . LEU . 6803 1 55 . ASP . 6803 1 56 . GLY . 6803 1 57 . SER . 6803 1 58 . GLY . 6803 1 59 . LEU . 6803 1 60 . GLN . 6803 1 61 . VAL . 6803 1 62 . LYS . 6803 1 63 . PRO . 6803 1 64 . LEU . 6803 1 65 . GLY . 6803 1 66 . ASN . 6803 1 67 . ASN . 6803 1 68 . SER . 6803 1 69 . TRP . 6803 1 70 . THR . 6803 1 71 . LEU . 6803 1 72 . GLU . 6803 1 73 . PRO . 6803 1 74 . ALA . 6803 1 75 . PRO . 6803 1 76 . ALA . 6803 1 77 . PRO . 6803 1 78 . LYS . 6803 1 79 . GLU . 6803 1 80 . ASP . 6803 1 81 . ALA . 6803 1 82 . LEU . 6803 1 83 . THR . 6803 1 84 . VAL . 6803 1 85 . VAL . 6803 1 86 . GLY . 6803 1 87 . ASP . 6803 1 88 . TRP . 6803 1 89 . LEU . 6803 1 90 . GLY . 6803 1 91 . ASP . 6803 1 92 . ALA . 6803 1 93 . ARG . 6803 1 94 . GLU . 6803 1 95 . ASN . 6803 1 96 . ASP . 6803 1 97 . LEU . 6803 1 98 . GLU . 6803 1 99 . HIS . 6803 1 100 . HIS . 6803 1 101 . HIS . 6803 1 102 . HIS . 6803 1 103 . HIS . 6803 1 104 . HIS . 6803 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 . ALA 1 1 6803 1 . GLN 2 2 6803 1 . VAL 3 3 6803 1 . ASN 4 4 6803 1 . ILE 5 5 6803 1 . ALA 6 6 6803 1 . PRO 7 7 6803 1 . GLY 8 8 6803 1 . SER 9 9 6803 1 . LEU 10 10 6803 1 . ASP 11 11 6803 1 . LYS 12 12 6803 1 . ALA 13 13 6803 1 . LEU 14 14 6803 1 . ASN 15 15 6803 1 . GLN 16 16 6803 1 . TYR 17 17 6803 1 . ALA 18 18 6803 1 . ALA 19 19 6803 1 . HIS 20 20 6803 1 . SER 21 21 6803 1 . GLY 22 22 6803 1 . PHE 23 23 6803 1 . THR 24 24 6803 1 . LEU 25 25 6803 1 . SER 26 26 6803 1 . VAL 27 27 6803 1 . ASP 28 28 6803 1 . ALA 29 29 6803 1 . SER 30 30 6803 1 . LEU 31 31 6803 1 . THR 32 32 6803 1 . ARG 33 33 6803 1 . GLY 34 34 6803 1 . LYS 35 35 6803 1 . GLN 36 36 6803 1 . SER 37 37 6803 1 . ASN 38 38 6803 1 . GLY 39 39 6803 1 . LEU 40 40 6803 1 . HIS 41 41 6803 1 . GLY 42 42 6803 1 . ASP 43 43 6803 1 . TYR 44 44 6803 1 . ASP 45 45 6803 1 . VAL 46 46 6803 1 . GLU 47 47 6803 1 . SER 48 48 6803 1 . GLY 49 49 6803 1 . LEU 50 50 6803 1 . GLN 51 51 6803 1 . GLN 52 52 6803 1 . LEU 53 53 6803 1 . LEU 54 54 6803 1 . ASP 55 55 6803 1 . GLY 56 56 6803 1 . SER 57 57 6803 1 . GLY 58 58 6803 1 . LEU 59 59 6803 1 . GLN 60 60 6803 1 . VAL 61 61 6803 1 . LYS 62 62 6803 1 . PRO 63 63 6803 1 . LEU 64 64 6803 1 . GLY 65 65 6803 1 . ASN 66 66 6803 1 . ASN 67 67 6803 1 . SER 68 68 6803 1 . TRP 69 69 6803 1 . THR 70 70 6803 1 . LEU 71 71 6803 1 . GLU 72 72 6803 1 . PRO 73 73 6803 1 . ALA 74 74 6803 1 . PRO 75 75 6803 1 . ALA 76 76 6803 1 . PRO 77 77 6803 1 . LYS 78 78 6803 1 . GLU 79 79 6803 1 . ASP 80 80 6803 1 . ALA 81 81 6803 1 . LEU 82 82 6803 1 . THR 83 83 6803 1 . VAL 84 84 6803 1 . VAL 85 85 6803 1 . GLY 86 86 6803 1 . ASP 87 87 6803 1 . TRP 88 88 6803 1 . LEU 89 89 6803 1 . GLY 90 90 6803 1 . ASP 91 91 6803 1 . ALA 92 92 6803 1 . ARG 93 93 6803 1 . GLU 94 94 6803 1 . ASN 95 95 6803 1 . ASP 96 96 6803 1 . LEU 97 97 6803 1 . GLU 98 98 6803 1 . HIS 99 99 6803 1 . HIS 100 100 6803 1 . HIS 101 101 6803 1 . HIS 102 102 6803 1 . HIS 103 103 6803 1 . HIS 104 104 6803 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6803 _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 $FecA_N-terminal_periplasmic_signaling_domain . 562 organism no . 'Escherichia coli' . . Eubacteria 'Not applicable' Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . 6803 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 6803 _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 $FecA_N-terminal_periplasmic_signaling_domain . 'recombinant technology' . 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6803 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6803 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NTFecA [U-15N] . . 1 $FecA_N-terminal_periplasmic_signaling_domain . protein 1 . . mM . . . . 6803 1 2 'Sodium phosphate' . . . . . . buffer 50 . . mM . . . . 6803 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6803 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NTFecA '[U-15N; U-13C]' . . 1 $FecA_N-terminal_periplasmic_signaling_domain . protein 1 . . mM . . . . 6803 2 2 'Sodium Phosphate' . . . . . . buffer 50 . . mM . . . . 6803 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 6803 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 0.01 pH 6803 1 temperature 298 0.1 K 6803 1 stop_ 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 6803 _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 '1D Proton' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 2 '2D Proton-Proton NOESY (D2O)' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 4 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 5 HN(CA)CO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 6 CBCA(CO)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 7 CBCANH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 8 HCCH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 9 CCCONH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 10 HBHA(CO)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 11 HCCCONH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 12 '3D 13C separated NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 13 '3D 15N separated NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 14 'Steady State 15N Heteronuclear noe' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 15 'T2 15N' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 1 16 'T2 15N' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6803 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 6803 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6803 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6803 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6803 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 6803 _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 '1D Proton' 1 $sample_1 isotropic 6803 1 2 '2D Proton-Proton NOESY (D2O)' 1 $sample_1 isotropic 6803 1 3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 6803 1 4 HNCO 2 $sample_2 isotropic 6803 1 5 HN(CA)CO 2 $sample_2 isotropic 6803 1 6 CBCA(CO)NH 2 $sample_2 isotropic 6803 1 7 CBCANH 2 $sample_2 isotropic 6803 1 8 HCCH-TOCSY 2 $sample_2 isotropic 6803 1 9 CCCONH-TOCSY 2 $sample_2 isotropic 6803 1 10 HBHA(CO)NH 2 $sample_2 isotropic 6803 1 11 HCCCONH-TOCSY 2 $sample_2 isotropic 6803 1 12 '3D 13C separated NOESY' 2 $sample_2 isotropic 6803 1 13 '3D 15N separated NOESY' 1 $sample_1 isotropic 6803 1 14 'Steady State 15N Heteronuclear noe' 1 $sample_1 isotropic 6803 1 15 'T2 15N' 1 $sample_1 isotropic 6803 1 16 'T2 15N' 1 $sample_1 isotropic 6803 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 ALA HA H 1 4.078 0.02 . 1 . . . . 1 ALA HA . 6803 1 2 . 1 1 1 1 ALA HB1 H 1 1.575 0.02 . 1 . . . . 1 ALA HB . 6803 1 3 . 1 1 1 1 ALA HB2 H 1 1.575 0.02 . 1 . . . . 1 ALA HB . 6803 1 4 . 1 1 1 1 ALA HB3 H 1 1.575 0.02 . 1 . . . . 1 ALA HB . 6803 1 5 . 1 1 1 1 ALA C C 13 173.908 0.2 . 1 . . . . 1 ALA C . 6803 1 6 . 1 1 1 1 ALA CA C 13 51.610 0.2 . 1 . . . . 1 ALA CA . 6803 1 7 . 1 1 1 1 ALA CB C 13 18.9 0.2 . 1 . . . . 1 ALA CB . 6803 1 8 . 1 1 2 2 GLN H H 1 8.855 0.02 . 1 . . . . 2 GLN HN . 6803 1 9 . 1 1 2 2 GLN HA H 1 4.390 0.02 . 1 . . . . 2 GLN HA . 6803 1 10 . 1 1 2 2 GLN HB2 H 1 1.960 0.02 . 1 . . . . 2 GLN HB1 . 6803 1 11 . 1 1 2 2 GLN HB3 H 1 1.960 0.02 . 1 . . . . 2 GLN HB2 . 6803 1 12 . 1 1 2 2 GLN HG2 H 1 2.280 0.02 . 1 . . . . 2 GLN HG1 . 6803 1 13 . 1 1 2 2 GLN HG3 H 1 2.280 0.02 . 1 . . . . 2 GLN HG2 . 6803 1 14 . 1 1 2 2 GLN HE21 H 1 6.760 0.02 . 2 . . . . 2 GLN HE21 . 6803 1 15 . 1 1 2 2 GLN HE22 H 1 7.490 0.02 . 2 . . . . 2 GLN HE22 . 6803 1 16 . 1 1 2 2 GLN C C 13 175.745 0.2 . 1 . . . . 2 GLN C . 6803 1 17 . 1 1 2 2 GLN CA C 13 57.14 0.2 . 1 . . . . 2 GLN CA . 6803 1 18 . 1 1 2 2 GLN CB C 13 28.540 0.2 . 1 . . . . 2 GLN CB . 6803 1 19 . 1 1 2 2 GLN CG C 13 33.234 0.2 . 1 . . . . 2 GLN CG . 6803 1 20 . 1 1 2 2 GLN N N 15 121.900 0.2 . 1 . . . . 2 GLN N . 6803 1 21 . 1 1 2 2 GLN NE2 N 15 111.003 0.2 . 1 . . . . 2 GLN NE2 . 6803 1 22 . 1 1 3 3 VAL H H 1 8.999 0.02 . 1 . . . . 3 VAL HN . 6803 1 23 . 1 1 3 3 VAL HA H 1 4.330 0.02 . 1 . . . . 3 VAL HA . 6803 1 24 . 1 1 3 3 VAL HB H 1 1.950 0.02 . 1 . . . . 3 VAL HB . 6803 1 25 . 1 1 3 3 VAL HG11 H 1 0.810 0.02 . 2 . . . . 3 VAL HG1 . 6803 1 26 . 1 1 3 3 VAL HG12 H 1 0.810 0.02 . 2 . . . . 3 VAL HG1 . 6803 1 27 . 1 1 3 3 VAL HG13 H 1 0.810 0.02 . 2 . . . . 3 VAL HG1 . 6803 1 28 . 1 1 3 3 VAL HG21 H 1 0.810 0.02 . 2 . . . . 3 VAL HG2 . 6803 1 29 . 1 1 3 3 VAL HG22 H 1 0.810 0.02 . 2 . . . . 3 VAL HG2 . 6803 1 30 . 1 1 3 3 VAL HG23 H 1 0.810 0.02 . 2 . . . . 3 VAL HG2 . 6803 1 31 . 1 1 3 3 VAL C C 13 173.179 0.2 . 1 . . . . 3 VAL C . 6803 1 32 . 1 1 3 3 VAL CA C 13 60.88 0.2 . 1 . . . . 3 VAL CA . 6803 1 33 . 1 1 3 3 VAL CB C 13 35.109 0.2 . 1 . . . . 3 VAL CB . 6803 1 34 . 1 1 3 3 VAL CG1 C 13 21.51 0.2 . 1 . . . . 3 VAL CG1 . 6803 1 35 . 1 1 3 3 VAL CG2 C 13 21.51 0.2 . 1 . . . . 3 VAL CG2 . 6803 1 36 . 1 1 3 3 VAL N N 15 124.311 0.2 . 1 . . . . 3 VAL N . 6803 1 37 . 1 1 4 4 ASN H H 1 8.400 0.02 . 1 . . . . 4 ASN HN . 6803 1 38 . 1 1 4 4 ASN HA H 1 5.200 0.02 . 1 . . . . 4 ASN HA . 6803 1 39 . 1 1 4 4 ASN HB2 H 1 2.730 0.02 . 2 . . . . 4 ASN HB1 . 6803 1 40 . 1 1 4 4 ASN HB3 H 1 2.530 0.02 . 2 . . . . 4 ASN HB2 . 6803 1 41 . 1 1 4 4 ASN HD21 H 1 7.590 0.02 . 2 . . . . 4 ASN HD21 . 6803 1 42 . 1 1 4 4 ASN HD22 H 1 6.860 0.02 . 2 . . . . 4 ASN HD22 . 6803 1 43 . 1 1 4 4 ASN C C 13 173.196 0.2 . 1 . . . . 4 ASN C . 6803 1 44 . 1 1 4 4 ASN CA C 13 53.250 0.2 . 1 . . . . 4 ASN CA . 6803 1 45 . 1 1 4 4 ASN CB C 13 40.260 0.2 . 1 . . . . 4 ASN CB . 6803 1 46 . 1 1 4 4 ASN N N 15 123.670 0.2 . 1 . . . . 4 ASN N . 6803 1 47 . 1 1 4 4 ASN ND2 N 15 113.000 0.2 . 1 . . . . 4 ASN ND2 . 6803 1 48 . 1 1 5 5 ILE H H 1 9.196 0.02 . 1 . . . . 5 ILE HN . 6803 1 49 . 1 1 5 5 ILE HA H 1 4.200 0.02 . 1 . . . . 5 ILE HA . 6803 1 50 . 1 1 5 5 ILE HB H 1 1.540 0.02 . 1 . . . . 5 ILE HB . 6803 1 51 . 1 1 5 5 ILE HG12 H 1 1.160 0.02 . 9 . . . . 5 ILE HG11 . 6803 1 52 . 1 1 5 5 ILE HG13 H 1 1.160 0.02 . 9 . . . . 5 ILE HG12 . 6803 1 53 . 1 1 5 5 ILE HG21 H 1 0.940 0.02 . 4 . . . . 5 ILE HG2 . 6803 1 54 . 1 1 5 5 ILE HG22 H 1 0.940 0.02 . 4 . . . . 5 ILE HG2 . 6803 1 55 . 1 1 5 5 ILE HG23 H 1 0.940 0.02 . 4 . . . . 5 ILE HG2 . 6803 1 56 . 1 1 5 5 ILE HD11 H 1 0.678 0.02 . 1 . . . . 5 ILE HD1 . 6803 1 57 . 1 1 5 5 ILE HD12 H 1 0.678 0.02 . 1 . . . . 5 ILE HD1 . 6803 1 58 . 1 1 5 5 ILE HD13 H 1 0.678 0.02 . 1 . . . . 5 ILE HD1 . 6803 1 59 . 1 1 5 5 ILE C C 13 175.119 0.2 . 1 . . . . 5 ILE C . 6803 1 60 . 1 1 5 5 ILE CA C 13 59.010 0.2 . 1 . . . . 5 ILE CA . 6803 1 61 . 1 1 5 5 ILE CB C 13 39.320 0.2 . 1 . . . . 5 ILE CB . 6803 1 62 . 1 1 5 5 ILE CG1 C 13 27.609 0.2 . 2 . . . . 5 ILE CG1 . 6803 1 63 . 1 1 5 5 ILE CG2 C 13 16.828 0.2 . 2 . . . . 5 ILE CG2 . 6803 1 64 . 1 1 5 5 ILE CD1 C 13 11.200 0.2 . 1 . . . . 5 ILE CD1 . 6803 1 65 . 1 1 5 5 ILE N N 15 125.929 0.2 . 1 . . . . 5 ILE N . 6803 1 66 . 1 1 6 6 ALA H H 1 8.644 0.02 . 1 . . . . 6 ALA HN . 6803 1 67 . 1 1 6 6 ALA HA H 1 4.460 0.02 . 1 . . . . 6 ALA HA . 6803 1 68 . 1 1 6 6 ALA HB1 H 1 1.380 0.02 . 1 . . . . 6 ALA HB . 6803 1 69 . 1 1 6 6 ALA HB2 H 1 1.380 0.02 . 1 . . . . 6 ALA HB . 6803 1 70 . 1 1 6 6 ALA HB3 H 1 1.380 0.02 . 1 . . . . 6 ALA HB . 6803 1 71 . 1 1 6 6 ALA C C 13 174.558 0.2 . 1 . . . . 6 ALA C . 6803 1 72 . 1 1 6 6 ALA CA C 13 51.410 0.2 . 1 . . . . 6 ALA CA . 6803 1 73 . 1 1 6 6 ALA CB C 13 17.294 0.2 . 1 . . . . 6 ALA CB . 6803 1 74 . 1 1 6 6 ALA N N 15 131.88 0.2 . 1 . . . . 6 ALA N . 6803 1 75 . 1 1 7 7 PRO HA H 1 4.150 0.02 . 1 . . . . 7 PRO HA . 6803 1 76 . 1 1 7 7 PRO HB2 H 1 2.132 0.02 . 2 . . . . 7 PRO HB1 . 6803 1 77 . 1 1 7 7 PRO HB3 H 1 1.960 0.02 . 2 . . . . 7 PRO HB2 . 6803 1 78 . 1 1 7 7 PRO HG2 H 1 1.940 0.02 . 1 . . . . 7 PRO HG1 . 6803 1 79 . 1 1 7 7 PRO HG3 H 1 1.940 0.02 . 1 . . . . 7 PRO HG2 . 6803 1 80 . 1 1 7 7 PRO HD2 H 1 3.760 0.02 . 2 . . . . 7 PRO HD1 . 6803 1 81 . 1 1 7 7 PRO HD3 H 1 3.590 0.02 . 2 . . . . 7 PRO HD2 . 6803 1 82 . 1 1 7 7 PRO C C 13 176.477 0.2 . 1 . . . . 7 PRO C . 6803 1 83 . 1 1 7 7 PRO CA C 13 62.730 0.2 . 1 . . . . 7 PRO CA . 6803 1 84 . 1 1 7 7 PRO CB C 13 32.518 0.2 . 1 . . . . 7 PRO CB . 6803 1 85 . 1 1 7 7 PRO CG C 13 27.138 0.2 . 1 . . . . 7 PRO CG . 6803 1 86 . 1 1 7 7 PRO CD C 13 50.600 0.2 . 1 . . . . 7 PRO CD . 6803 1 87 . 1 1 8 8 GLY H H 1 8.042 0.02 . 1 . . . . 8 GLY HN . 6803 1 88 . 1 1 8 8 GLY HA2 H 1 4.320 0.02 . 2 . . . . 8 GLY HA1 . 6803 1 89 . 1 1 8 8 GLY HA3 H 1 3.900 0.02 . 2 . . . . 8 GLY HA2 . 6803 1 90 . 1 1 8 8 GLY C C 13 172.256 0.2 . 1 . . . . 8 GLY C . 6803 1 91 . 1 1 8 8 GLY CA C 13 45.117 0.2 . 1 . . . . 8 GLY CA . 6803 1 92 . 1 1 8 8 GLY N N 15 107.637 0.2 . 1 . . . . 8 GLY N . 6803 1 93 . 1 1 9 9 SER H H 1 8.640 0.02 . 1 . . . . 9 SER HN . 6803 1 94 . 1 1 9 9 SER HA H 1 4.360 0.02 . 1 . . . . 9 SER HA . 6803 1 95 . 1 1 9 9 SER HB2 H 1 4.170 0.02 . 2 . . . . 9 SER HB1 . 6803 1 96 . 1 1 9 9 SER HB3 H 1 3.990 0.02 . 2 . . . . 9 SER HB2 . 6803 1 97 . 1 1 9 9 SER HG H 1 5.690 0.02 . 1 . . . . 9 SER HG . 6803 1 98 . 1 1 9 9 SER C C 13 175.192 0.2 . 1 . . . . 9 SER C . 6803 1 99 . 1 1 9 9 SER CA C 13 59.015 0.2 . 1 . . . . 9 SER CA . 6803 1 100 . 1 1 9 9 SER CB C 13 63.700 0.2 . 1 . . . . 9 SER CB . 6803 1 101 . 1 1 9 9 SER N N 15 117.690 0.2 . 1 . . . . 9 SER N . 6803 1 102 . 1 1 10 10 LEU H H 1 8.635 0.02 . 1 . . . . 10 LEU HN . 6803 1 103 . 1 1 10 10 LEU HA H 1 4.025 0.02 . 1 . . . . 10 LEU HA . 6803 1 104 . 1 1 10 10 LEU HB2 H 1 1.700 0.02 . 2 . . . . 10 LEU HB1 . 6803 1 105 . 1 1 10 10 LEU HB3 H 1 1.050 0.02 . 2 . . . . 10 LEU HB2 . 6803 1 106 . 1 1 10 10 LEU HG H 1 1.390 0.02 . 1 . . . . 10 LEU HG . 6803 1 107 . 1 1 10 10 LEU HD11 H 1 0.810 0.02 . 4 . . . . 10 LEU HD1 . 6803 1 108 . 1 1 10 10 LEU HD12 H 1 0.810 0.02 . 4 . . . . 10 LEU HD1 . 6803 1 109 . 1 1 10 10 LEU HD13 H 1 0.810 0.02 . 4 . . . . 10 LEU HD1 . 6803 1 110 . 1 1 10 10 LEU HD21 H 1 0.810 0.02 . 4 . . . . 10 LEU HD2 . 6803 1 111 . 1 1 10 10 LEU HD22 H 1 0.810 0.02 . 4 . . . . 10 LEU HD2 . 6803 1 112 . 1 1 10 10 LEU HD23 H 1 0.810 0.02 . 4 . . . . 10 LEU HD2 . 6803 1 113 . 1 1 10 10 LEU C C 13 177.220 0.2 . 1 . . . . 10 LEU C . 6803 1 114 . 1 1 10 10 LEU CA C 13 58.070 0.2 . 1 . . . . 10 LEU CA . 6803 1 115 . 1 1 10 10 LEU CB C 13 41.600 0.2 . 1 . . . . 10 LEU CB . 6803 1 116 . 1 1 10 10 LEU CG C 13 26.260 0.2 . 1 . . . . 10 LEU CG . 6803 1 117 . 1 1 10 10 LEU CD1 C 13 23.388 0.2 . 1 . . . . 10 LEU CD1 . 6803 1 118 . 1 1 10 10 LEU CD2 C 13 23.388 0.2 . 1 . . . . 10 LEU CD2 . 6803 1 119 . 1 1 10 10 LEU N N 15 126.120 0.2 . 1 . . . . 10 LEU N . 6803 1 120 . 1 1 11 11 ASP H H 1 8.887 0.02 . 1 . . . . 11 ASP HN . 6803 1 121 . 1 1 11 11 ASP HA H 1 4.030 0.02 . 1 . . . . 11 ASP HA . 6803 1 122 . 1 1 11 11 ASP HB2 H 1 2.610 0.02 . 2 . . . . 11 ASP HB1 . 6803 1 123 . 1 1 11 11 ASP HB3 H 1 2.506 0.02 . 2 . . . . 11 ASP HB2 . 6803 1 124 . 1 1 11 11 ASP C C 13 178.090 0.2 . 1 . . . . 11 ASP C . 6803 1 125 . 1 1 11 11 ASP CA C 13 57.616 0.2 . 1 . . . . 11 ASP CA . 6803 1 126 . 1 1 11 11 ASP CB C 13 40.260 0.2 . 1 . . . . 11 ASP CB . 6803 1 127 . 1 1 11 11 ASP N N 15 117.290 0.2 . 1 . . . . 11 ASP N . 6803 1 128 . 1 1 12 12 LYS H H 1 7.725 0.02 . 1 . . . . 12 LYS HN . 6803 1 129 . 1 1 12 12 LYS HA H 1 4.009 0.02 . 1 . . . . 12 LYS HA . 6803 1 130 . 1 1 12 12 LYS HB2 H 1 1.830 0.02 . 1 . . . . 12 LYS HB1 . 6803 1 131 . 1 1 12 12 LYS HB3 H 1 1.830 0.02 . 1 . . . . 12 LYS HB2 . 6803 1 132 . 1 1 12 12 LYS HG2 H 1 1.350 0.02 . 1 . . . . 12 LYS HG1 . 6803 1 133 . 1 1 12 12 LYS HG3 H 1 1.350 0.02 . 1 . . . . 12 LYS HG2 . 6803 1 134 . 1 1 12 12 LYS HD2 H 1 2.170 0.02 . 1 . . . . 12 LYS HD1 . 6803 1 135 . 1 1 12 12 LYS HD3 H 1 2.170 0.02 . 1 . . . . 12 LYS HD2 . 6803 1 136 . 1 1 12 12 LYS HE2 H 1 2.900 0.02 . 1 . . . . 12 LYS HE1 . 6803 1 137 . 1 1 12 12 LYS HE3 H 1 2.900 0.02 . 1 . . . . 12 LYS HE2 . 6803 1 138 . 1 1 12 12 LYS HZ1 H 1 8.200 0.02 . 1 . . . . 12 LYS HZ . 6803 1 139 . 1 1 12 12 LYS HZ2 H 1 8.200 0.02 . 1 . . . . 12 LYS HZ . 6803 1 140 . 1 1 12 12 LYS HZ3 H 1 8.200 0.02 . 1 . . . . 12 LYS HZ . 6803 1 141 . 1 1 12 12 LYS C C 13 178.625 0.2 . 1 . . . . 12 LYS C . 6803 1 142 . 1 1 12 12 LYS CA C 13 58.540 0.2 . 1 . . . . 12 LYS CA . 6803 1 143 . 1 1 12 12 LYS CB C 13 31.350 0.2 . 1 . . . . 12 LYS CB . 6803 1 144 . 1 1 12 12 LYS CG C 13 24.794 0.2 . 1 . . . . 12 LYS CG . 6803 1 145 . 1 1 12 12 LYS CD C 13 28.600 0.2 . 1 . . . . 12 LYS CD . 6803 1 146 . 1 1 12 12 LYS CE C 13 34.400 0.2 . 1 . . . . 12 LYS CE . 6803 1 147 . 1 1 12 12 LYS N N 15 120.450 0.2 . 1 . . . . 12 LYS N . 6803 1 148 . 1 1 13 13 ALA H H 1 8.000 0.02 . 1 . . . . 13 ALA HN . 6803 1 149 . 1 1 13 13 ALA HA H 1 4.034 0.02 . 1 . . . . 13 ALA HA . 6803 1 150 . 1 1 13 13 ALA HB1 H 1 1.310 0.02 . 1 . . . . 13 ALA HB . 6803 1 151 . 1 1 13 13 ALA HB2 H 1 1.310 0.02 . 1 . . . . 13 ALA HB . 6803 1 152 . 1 1 13 13 ALA HB3 H 1 1.310 0.02 . 1 . . . . 13 ALA HB . 6803 1 153 . 1 1 13 13 ALA C C 13 179.768 0.2 . 1 . . . . 13 ALA C . 6803 1 154 . 1 1 13 13 ALA CA C 13 55.213 0.2 . 1 . . . . 13 ALA CA . 6803 1 155 . 1 1 13 13 ALA CB C 13 18.231 0.2 . 1 . . . . 13 ALA CB . 6803 1 156 . 1 1 13 13 ALA N N 15 122.840 0.2 . 1 . . . . 13 ALA N . 6803 1 157 . 1 1 14 14 LEU H H 1 8.609 0.02 . 1 . . . . 14 LEU HN . 6803 1 158 . 1 1 14 14 LEU HA H 1 3.853 0.02 . 1 . . . . 14 LEU HA . 6803 1 159 . 1 1 14 14 LEU HB2 H 1 1.910 0.02 . 2 . . . . 14 LEU HB1 . 6803 1 160 . 1 1 14 14 LEU HB3 H 1 1.290 0.02 . 2 . . . . 14 LEU HB2 . 6803 1 161 . 1 1 14 14 LEU HG H 1 0.930 0.02 . 1 . . . . 14 LEU HG . 6803 1 162 . 1 1 14 14 LEU HD11 H 1 0.680 0.02 . 4 . . . . 14 LEU HD1 . 6803 1 163 . 1 1 14 14 LEU HD12 H 1 0.680 0.02 . 4 . . . . 14 LEU HD1 . 6803 1 164 . 1 1 14 14 LEU HD13 H 1 0.680 0.02 . 4 . . . . 14 LEU HD1 . 6803 1 165 . 1 1 14 14 LEU HD21 H 1 0.590 0.02 . 2 . . . . 14 LEU HD2 . 6803 1 166 . 1 1 14 14 LEU HD22 H 1 0.590 0.02 . 2 . . . . 14 LEU HD2 . 6803 1 167 . 1 1 14 14 LEU HD23 H 1 0.590 0.02 . 2 . . . . 14 LEU HD2 . 6803 1 168 . 1 1 14 14 LEU C C 13 178.748 0.2 . 1 . . . . 14 LEU C . 6803 1 169 . 1 1 14 14 LEU CA C 13 57.607 0.2 . 1 . . . . 14 LEU CA . 6803 1 170 . 1 1 14 14 LEU CB C 13 41.636 0.2 . 1 . . . . 14 LEU CB . 6803 1 171 . 1 1 14 14 LEU CG C 13 26.200 0.2 . 1 . . . . 14 LEU CG . 6803 1 172 . 1 1 14 14 LEU CD1 C 13 22.451 0.2 . 2 . . . . 14 LEU CD1 . 6803 1 173 . 1 1 14 14 LEU CD2 C 13 23.857 0.2 . 1 . . . . 14 LEU CD2 . 6803 1 174 . 1 1 14 14 LEU N N 15 116.010 0.2 . 1 . . . . 14 LEU N . 6803 1 175 . 1 1 15 15 ASN H H 1 7.840 0.02 . 1 . . . . 15 ASN HN . 6803 1 176 . 1 1 15 15 ASN HA H 1 4.336 0.02 . 1 . . . . 15 ASN HA . 6803 1 177 . 1 1 15 15 ASN HB2 H 1 2.710 0.02 . 2 . . . . 15 ASN HB1 . 6803 1 178 . 1 1 15 15 ASN HB3 H 1 2.860 0.02 . 2 . . . . 15 ASN HB2 . 6803 1 179 . 1 1 15 15 ASN HD21 H 1 7.530 0.02 . 2 . . . . 15 ASN HD21 . 6803 1 180 . 1 1 15 15 ASN HD22 H 1 6.910 0.02 . 2 . . . . 15 ASN HD22 . 6803 1 181 . 1 1 15 15 ASN C C 13 178.825 0.2 . 1 . . . . 15 ASN C . 6803 1 182 . 1 1 15 15 ASN CA C 13 56.200 0.2 . 1 . . . . 15 ASN CA . 6803 1 183 . 1 1 15 15 ASN CB C 13 38.500 0.2 . 1 . . . . 15 ASN CB . 6803 1 184 . 1 1 15 15 ASN N N 15 116.670 0.2 . 1 . . . . 15 ASN N . 6803 1 185 . 1 1 15 15 ASN ND2 N 15 112.580 0.2 . 1 . . . . 15 ASN ND2 . 6803 1 186 . 1 1 16 16 GLN H H 1 8.615 0.02 . 1 . . . . 16 GLN HN . 6803 1 187 . 1 1 16 16 GLN HA H 1 4.060 0.02 . 1 . . . . 16 GLN HA . 6803 1 188 . 1 1 16 16 GLN HB2 H 1 2.002 0.02 . 2 . . . . 16 GLN HB1 . 6803 1 189 . 1 1 16 16 GLN HB3 H 1 2.320 0.02 . 2 . . . . 16 GLN HB2 . 6803 1 190 . 1 1 16 16 GLN HG2 H 1 2.320 0.02 . 2 . . . . 16 GLN HG1 . 6803 1 191 . 1 1 16 16 GLN HG3 H 1 2.638 0.02 . 2 . . . . 16 GLN HG2 . 6803 1 192 . 1 1 16 16 GLN HE21 H 1 6.940 0.02 . 2 . . . . 16 GLN HE21 . 6803 1 193 . 1 1 16 16 GLN HE22 H 1 7.412 0.02 . 2 . . . . 16 GLN HE22 . 6803 1 194 . 1 1 16 16 GLN C C 13 178.986 0.2 . 1 . . . . 16 GLN C . 6803 1 195 . 1 1 16 16 GLN CA C 13 59.013 0.2 . 1 . . . . 16 GLN CA . 6803 1 196 . 1 1 16 16 GLN CB C 13 28.509 0.2 . 1 . . . . 16 GLN CB . 6803 1 197 . 1 1 16 16 GLN CG C 13 34.517 0.2 . 1 . . . . 16 GLN CG . 6803 1 198 . 1 1 16 16 GLN N N 15 120.170 0.2 . 1 . . . . 16 GLN N . 6803 1 199 . 1 1 16 16 GLN NE2 N 15 110.755 0.2 . 1 . . . . 16 GLN NE2 . 6803 1 200 . 1 1 17 17 TYR H H 1 8.570 0.02 . 1 . . . . 17 TYR HN . 6803 1 201 . 1 1 17 17 TYR HA H 1 4.380 0.02 . 1 . . . . 17 TYR HA . 6803 1 202 . 1 1 17 17 TYR HB2 H 1 2.952 0.02 . 2 . . . . 17 TYR HB1 . 6803 1 203 . 1 1 17 17 TYR HB3 H 1 3.030 0.02 . 2 . . . . 17 TYR HB2 . 6803 1 204 . 1 1 17 17 TYR HD1 H 1 7.050 0.02 . 3 . . . . 17 TYR HD1 . 6803 1 205 . 1 1 17 17 TYR HD2 H 1 6.710 0.02 . 3 . . . . 17 TYR HD2 . 6803 1 206 . 1 1 17 17 TYR HE1 H 1 6.890 0.02 . 3 . . . . 17 TYR HE1 . 6803 1 207 . 1 1 17 17 TYR HE2 H 1 6.540 0.02 . 3 . . . . 17 TYR HE2 . 6803 1 208 . 1 1 17 17 TYR C C 13 177.454 0.2 . 1 . . . . 17 TYR C . 6803 1 209 . 1 1 17 17 TYR CA C 13 59.950 0.2 . 1 . . . . 17 TYR CA . 6803 1 210 . 1 1 17 17 TYR CB C 13 38.310 0.2 . 1 . . . . 17 TYR CB . 6803 1 211 . 1 1 17 17 TYR N N 15 121.870 0.2 . 1 . . . . 17 TYR N . 6803 1 212 . 1 1 18 18 ALA H H 1 8.337 0.02 . 1 . . . . 18 ALA HN . 6803 1 213 . 1 1 18 18 ALA HA H 1 2.150 0.02 . 1 . . . . 18 ALA HA . 6803 1 214 . 1 1 18 18 ALA HB1 H 1 0.985 0.02 . 1 . . . . 18 ALA HB . 6803 1 215 . 1 1 18 18 ALA HB2 H 1 0.985 0.02 . 1 . . . . 18 ALA HB . 6803 1 216 . 1 1 18 18 ALA HB3 H 1 0.985 0.02 . 1 . . . . 18 ALA HB . 6803 1 217 . 1 1 18 18 ALA C C 13 179.595 0.2 . 1 . . . . 18 ALA C . 6803 1 218 . 1 1 18 18 ALA CA C 13 17.294 0.2 . 1 . . . . 18 ALA CA . 6803 1 219 . 1 1 18 18 ALA CB C 13 47.400 0.2 . 1 . . . . 18 ALA CB . 6803 1 220 . 1 1 18 18 ALA N N 15 123.050 0.2 . 1 . . . . 18 ALA N . 6803 1 221 . 1 1 19 19 ALA H H 1 7.590 0.02 . 1 . . . . 19 ALA HN . 6803 1 222 . 1 1 19 19 ALA HA H 1 4.033 0.02 . 1 . . . . 19 ALA HA . 6803 1 223 . 1 1 19 19 ALA HB1 H 1 1.410 0.02 . 1 . . . . 19 ALA HB . 6803 1 224 . 1 1 19 19 ALA HB2 H 1 1.410 0.02 . 1 . . . . 19 ALA HB . 6803 1 225 . 1 1 19 19 ALA HB3 H 1 1.410 0.02 . 1 . . . . 19 ALA HB . 6803 1 226 . 1 1 19 19 ALA C C 13 180.160 0.2 . 1 . . . . 19 ALA C . 6803 1 227 . 1 1 19 19 ALA CA C 13 54.350 0.2 . 1 . . . . 19 ALA CA . 6803 1 228 . 1 1 19 19 ALA CB C 13 17.294 0.2 . 1 . . . . 19 ALA CB . 6803 1 229 . 1 1 19 19 ALA N N 15 118.386 0.2 . 1 . . . . 19 ALA N . 6803 1 230 . 1 1 20 20 HIS H H 1 8.050 0.02 . 1 . . . . 20 HIS HN . 6803 1 231 . 1 1 20 20 HIS HA H 1 4.260 0.02 . 1 . . . . 20 HIS HA . 6803 1 232 . 1 1 20 20 HIS HB2 H 1 3.260 0.02 . 1 . . . . 20 HIS HB1 . 6803 1 233 . 1 1 20 20 HIS HB3 H 1 3.260 0.02 . 1 . . . . 20 HIS HB2 . 6803 1 234 . 1 1 20 20 HIS HD1 H 1 8.690 0.02 . 2 . . . . 20 HIS HD1 . 6803 1 235 . 1 1 20 20 HIS HD2 H 1 6.880 0.02 . 3 . . . . 20 HIS HD2 . 6803 1 236 . 1 1 20 20 HIS HE1 H 1 7.090 0.02 . 2 . . . . 20 HIS HE1 . 6803 1 237 . 1 1 20 20 HIS HE2 H 1 9.614 0.02 . 2 . . . . 20 HIS HE2 . 6803 1 238 . 1 1 20 20 HIS C C 13 177.425 0.2 . 1 . . . . 20 HIS C . 6803 1 239 . 1 1 20 20 HIS CA C 13 59.013 0.2 . 1 . . . . 20 HIS CA . 6803 1 240 . 1 1 20 20 HIS CB C 13 30.880 0.2 . 1 . . . . 20 HIS CB . 6803 1 241 . 1 1 20 20 HIS N N 15 116.540 0.2 . 1 . . . . 20 HIS N . 6803 1 242 . 1 1 21 21 SER H H 1 8.073 0.02 . 1 . . . . 21 SER HN . 6803 1 243 . 1 1 21 21 SER HA H 1 4.366 0.02 . 1 . . . . 21 SER HA . 6803 1 244 . 1 1 21 21 SER HB2 H 1 3.840 0.02 . 2 . . . . 21 SER HB1 . 6803 1 245 . 1 1 21 21 SER HB3 H 1 3.630 0.02 . 2 . . . . 21 SER HB2 . 6803 1 246 . 1 1 21 21 SER C C 13 174.793 0.2 . 1 . . . . 21 SER C . 6803 1 247 . 1 1 21 21 SER CA C 13 59.482 0.2 . 1 . . . . 21 SER CA . 6803 1 248 . 1 1 21 21 SER CB C 13 64.638 0.2 . 1 . . . . 21 SER CB . 6803 1 249 . 1 1 21 21 SER N N 15 111.480 0.2 . 1 . . . . 21 SER N . 6803 1 250 . 1 1 22 22 GLY H H 1 7.842 0.02 . 1 . . . . 22 GLY HN . 6803 1 251 . 1 1 22 22 GLY HA2 H 1 4.008 0.02 . 2 . . . . 22 GLY HA1 . 6803 1 252 . 1 1 22 22 GLY HA3 H 1 3.842 0.02 . 2 . . . . 22 GLY HA2 . 6803 1 253 . 1 1 22 22 GLY C C 13 173.920 0.2 . 1 . . . . 22 GLY C . 6803 1 254 . 1 1 22 22 GLY CA C 13 47.150 0.2 . 1 . . . . 22 GLY CA . 6803 1 255 . 1 1 22 22 GLY N N 15 109.514 0.2 . 1 . . . . 22 GLY N . 6803 1 256 . 1 1 23 23 PHE H H 1 7.288 0.02 . 1 . . . . 23 PHE HN . 6803 1 257 . 1 1 23 23 PHE HA H 1 5.283 0.02 . 1 . . . . 23 PHE HA . 6803 1 258 . 1 1 23 23 PHE HB2 H 1 2.970 0.02 . 2 . . . . 23 PHE HB1 . 6803 1 259 . 1 1 23 23 PHE HB3 H 1 3.386 0.02 . 2 . . . . 23 PHE HB2 . 6803 1 260 . 1 1 23 23 PHE HD1 H 1 6.760 0.02 . 3 . . . . 23 PHE HD1 . 6803 1 261 . 1 1 23 23 PHE HD2 H 1 6.830 0.02 . 3 . . . . 23 PHE HD2 . 6803 1 262 . 1 1 23 23 PHE HE1 H 1 6.540 0.02 . 1 . . . . 23 PHE HE1 . 6803 1 263 . 1 1 23 23 PHE HE2 H 1 6.540 0.02 . 1 . . . . 23 PHE HE2 . 6803 1 264 . 1 1 23 23 PHE HZ H 1 7.240 0.02 . 1 . . . . 23 PHE HZ . 6803 1 265 . 1 1 23 23 PHE C C 13 173.322 0.2 . 1 . . . . 23 PHE C . 6803 1 266 . 1 1 23 23 PHE CA C 13 54.794 0.2 . 1 . . . . 23 PHE CA . 6803 1 267 . 1 1 23 23 PHE CB C 13 41.440 0.2 . 1 . . . . 23 PHE CB . 6803 1 268 . 1 1 23 23 PHE N N 15 115.319 0.2 . 1 . . . . 23 PHE N . 6803 1 269 . 1 1 24 24 THR H H 1 8.536 0.02 . 1 . . . . 24 THR HN . 6803 1 270 . 1 1 24 24 THR HA H 1 4.540 0.02 . 1 . . . . 24 THR HA . 6803 1 271 . 1 1 24 24 THR HB H 1 4.225 0.02 . 1 . . . . 24 THR HB . 6803 1 272 . 1 1 24 24 THR HG21 H 1 1.209 0.02 . 1 . . . . 24 THR HG2 . 6803 1 273 . 1 1 24 24 THR HG22 H 1 1.209 0.02 . 1 . . . . 24 THR HG2 . 6803 1 274 . 1 1 24 24 THR HG23 H 1 1.209 0.02 . 1 . . . . 24 THR HG2 . 6803 1 275 . 1 1 24 24 THR C C 13 172.878 0.2 . 1 . . . . 24 THR C . 6803 1 276 . 1 1 24 24 THR CA C 13 61.357 0.2 . 1 . . . . 24 THR CA . 6803 1 277 . 1 1 24 24 THR CB C 13 70.731 0.2 . 1 . . . . 24 THR CB . 6803 1 278 . 1 1 24 24 THR CG2 C 13 21.513 0.2 . 1 . . . . 24 THR CG2 . 6803 1 279 . 1 1 24 24 THR N N 15 114.168 0.2 . 1 . . . . 24 THR N . 6803 1 280 . 1 1 25 25 LEU H H 1 8.863 0.02 . 1 . . . . 25 LEU HN . 6803 1 281 . 1 1 25 25 LEU HA H 1 5.305 0.02 . 1 . . . . 25 LEU HA . 6803 1 282 . 1 1 25 25 LEU HB2 H 1 1.700 0.02 . 2 . . . . 25 LEU HB1 . 6803 1 283 . 1 1 25 25 LEU HB3 H 1 1.470 0.02 . 2 . . . . 25 LEU HB2 . 6803 1 284 . 1 1 25 25 LEU HG H 1 1.480 0.02 . 1 . . . . 25 LEU HG . 6803 1 285 . 1 1 25 25 LEU HD11 H 1 0.870 0.02 . 2 . . . . 25 LEU HD1 . 6803 1 286 . 1 1 25 25 LEU HD12 H 1 0.870 0.02 . 2 . . . . 25 LEU HD1 . 6803 1 287 . 1 1 25 25 LEU HD13 H 1 0.870 0.02 . 2 . . . . 25 LEU HD1 . 6803 1 288 . 1 1 25 25 LEU HD21 H 1 0.820 0.02 . 2 . . . . 25 LEU HD2 . 6803 1 289 . 1 1 25 25 LEU HD22 H 1 0.820 0.02 . 2 . . . . 25 LEU HD2 . 6803 1 290 . 1 1 25 25 LEU HD23 H 1 0.820 0.02 . 2 . . . . 25 LEU HD2 . 6803 1 291 . 1 1 25 25 LEU C C 13 175.455 0.2 . 1 . . . . 25 LEU C . 6803 1 292 . 1 1 25 25 LEU CA C 13 53.450 0.2 . 1 . . . . 25 LEU CA . 6803 1 293 . 1 1 25 25 LEU CB C 13 45.780 0.2 . 1 . . . . 25 LEU CB . 6803 1 294 . 1 1 25 25 LEU CG C 13 27.138 0.2 . 1 . . . . 25 LEU CG . 6803 1 295 . 1 1 25 25 LEU CD1 C 13 24.794 0.2 . 1 . . . . 25 LEU CD1 . 6803 1 296 . 1 1 25 25 LEU CD2 C 13 25.263 0.2 . 1 . . . . 25 LEU CD2 . 6803 1 297 . 1 1 25 25 LEU N N 15 127.876 0.2 . 1 . . . . 25 LEU N . 6803 1 298 . 1 1 26 26 SER H H 1 8.620 0.02 . 1 . . . . 26 SER HN . 6803 1 299 . 1 1 26 26 SER HA H 1 4.810 0.02 . 1 . . . . 26 SER HA . 6803 1 300 . 1 1 26 26 SER HB2 H 1 3.830 0.02 . 2 . . . . 26 SER HB1 . 6803 1 301 . 1 1 26 26 SER HB3 H 1 3.690 0.02 . 2 . . . . 26 SER HB2 . 6803 1 302 . 1 1 26 26 SER C C 13 173.313 0.2 . 1 . . . . 26 SER C . 6803 1 303 . 1 1 26 26 SER CA C 13 56.669 0.2 . 1 . . . . 26 SER CA . 6803 1 304 . 1 1 26 26 SER CB C 13 63.700 0.2 . 1 . . . . 26 SER CB . 6803 1 305 . 1 1 26 26 SER N N 15 121.280 0.2 . 1 . . . . 26 SER N . 6803 1 306 . 1 1 27 27 VAL H H 1 8.706 0.02 . 1 . . . . 27 VAL HN . 6803 1 307 . 1 1 27 27 VAL HA H 1 4.368 0.02 . 1 . . . . 27 VAL HA . 6803 1 308 . 1 1 27 27 VAL HB H 1 2.017 0.02 . 1 . . . . 27 VAL HB . 6803 1 309 . 1 1 27 27 VAL HG11 H 1 0.930 0.02 . 4 . . . . 27 VAL HG1 . 6803 1 310 . 1 1 27 27 VAL HG12 H 1 0.930 0.02 . 4 . . . . 27 VAL HG1 . 6803 1 311 . 1 1 27 27 VAL HG13 H 1 0.930 0.02 . 4 . . . . 27 VAL HG1 . 6803 1 312 . 1 1 27 27 VAL HG21 H 1 0.810 0.02 . 2 . . . . 27 VAL HG2 . 6803 1 313 . 1 1 27 27 VAL HG22 H 1 0.810 0.02 . 2 . . . . 27 VAL HG2 . 6803 1 314 . 1 1 27 27 VAL HG23 H 1 0.810 0.02 . 2 . . . . 27 VAL HG2 . 6803 1 315 . 1 1 27 27 VAL C C 13 173.786 0.2 . 1 . . . . 27 VAL C . 6803 1 316 . 1 1 27 27 VAL CA C 13 60.888 0.2 . 1 . . . . 27 VAL CA . 6803 1 317 . 1 1 27 27 VAL CB C 13 34.547 0.2 . 1 . . . . 27 VAL CB . 6803 1 318 . 1 1 27 27 VAL CG1 C 13 21.513 0.2 . 2 . . . . 27 VAL CG1 . 6803 1 319 . 1 1 27 27 VAL CG2 C 13 22.451 0.2 . 1 . . . . 27 VAL CG2 . 6803 1 320 . 1 1 27 27 VAL N N 15 125.590 0.2 . 1 . . . . 27 VAL N . 6803 1 321 . 1 1 28 28 ASP H H 1 8.274 0.02 . 1 . . . . 28 ASP HN . 6803 1 322 . 1 1 28 28 ASP HA H 1 4.590 0.02 . 1 . . . . 28 ASP HA . 6803 1 323 . 1 1 28 28 ASP HB2 H 1 2.660 0.02 . 1 . . . . 28 ASP HB1 . 6803 1 324 . 1 1 28 28 ASP HB3 H 1 2.660 0.02 . 1 . . . . 28 ASP HB2 . 6803 1 325 . 1 1 28 28 ASP C C 13 176.674 0.2 . 1 . . . . 28 ASP C . 6803 1 326 . 1 1 28 28 ASP CA C 13 53.800 0.2 . 1 . . . . 28 ASP CA . 6803 1 327 . 1 1 28 28 ASP CB C 13 42.138 0.2 . 1 . . . . 28 ASP CB . 6803 1 328 . 1 1 28 28 ASP N N 15 128.230 0.2 . 1 . . . . 28 ASP N . 6803 1 329 . 1 1 29 29 ALA H H 1 8.867 0.02 . 1 . . . . 29 ALA HN . 6803 1 330 . 1 1 29 29 ALA HA H 1 4.160 0.02 . 1 . . . . 29 ALA HA . 6803 1 331 . 1 1 29 29 ALA HB1 H 1 1.460 0.02 . 1 . . . . 29 ALA HB . 6803 1 332 . 1 1 29 29 ALA HB2 H 1 1.460 0.02 . 1 . . . . 29 ALA HB . 6803 1 333 . 1 1 29 29 ALA HB3 H 1 1.460 0.02 . 1 . . . . 29 ALA HB . 6803 1 334 . 1 1 29 29 ALA C C 13 179.335 0.2 . 1 . . . . 29 ALA C . 6803 1 335 . 1 1 29 29 ALA CA C 13 54.411 0.2 . 1 . . . . 29 ALA CA . 6803 1 336 . 1 1 29 29 ALA CB C 13 19.169 0.2 . 1 . . . . 29 ALA CB . 6803 1 337 . 1 1 29 29 ALA N N 15 130.26 0.2 . 1 . . . . 29 ALA N . 6803 1 338 . 1 1 30 30 SER H H 1 8.665 0.02 . 1 . . . . 30 SER HN . 6803 1 339 . 1 1 30 30 SER HA H 1 3.910 0.02 . 1 . . . . 30 SER HA . 6803 1 340 . 1 1 30 30 SER HB2 H 1 3.990 0.02 . 1 . . . . 30 SER HB1 . 6803 1 341 . 1 1 30 30 SER HB3 H 1 3.990 0.02 . 1 . . . . 30 SER HB2 . 6803 1 342 . 1 1 30 30 SER C C 13 176.720 0.2 . 1 . . . . 30 SER C . 6803 1 343 . 1 1 30 30 SER CA C 13 61.825 0.2 . 1 . . . . 30 SER CA . 6803 1 344 . 1 1 30 30 SER CB C 13 62.294 0.2 . 1 . . . . 30 SER CB . 6803 1 345 . 1 1 30 30 SER N N 15 112.760 0.2 . 1 . . . . 30 SER N . 6803 1 346 . 1 1 31 31 LEU H H 1 8.050 0.02 . 1 . . . . 31 LEU HN . 6803 1 347 . 1 1 31 31 LEU HA H 1 4.240 0.02 . 1 . . . . 31 LEU HA . 6803 1 348 . 1 1 31 31 LEU HB2 H 1 1.510 0.02 . 2 . . . . 31 LEU HB1 . 6803 1 349 . 1 1 31 31 LEU HB3 H 1 1.850 0.02 . 2 . . . . 31 LEU HB2 . 6803 1 350 . 1 1 31 31 LEU HG H 1 1.700 0.02 . 1 . . . . 31 LEU HG . 6803 1 351 . 1 1 31 31 LEU HD11 H 1 0.810 0.02 . 4 . . . . 31 LEU HD1 . 6803 1 352 . 1 1 31 31 LEU HD12 H 1 0.810 0.02 . 4 . . . . 31 LEU HD1 . 6803 1 353 . 1 1 31 31 LEU HD13 H 1 0.810 0.02 . 4 . . . . 31 LEU HD1 . 6803 1 354 . 1 1 31 31 LEU HD21 H 1 0.810 0.02 . 4 . . . . 31 LEU HD2 . 6803 1 355 . 1 1 31 31 LEU HD22 H 1 0.810 0.02 . 4 . . . . 31 LEU HD2 . 6803 1 356 . 1 1 31 31 LEU HD23 H 1 0.810 0.02 . 4 . . . . 31 LEU HD2 . 6803 1 357 . 1 1 31 31 LEU C C 13 178.142 0.2 . 1 . . . . 31 LEU C . 6803 1 358 . 1 1 31 31 LEU CA C 13 56.208 0.2 . 1 . . . . 31 LEU CA . 6803 1 359 . 1 1 31 31 LEU CB C 13 42.290 0.2 . 1 . . . . 31 LEU CB . 6803 1 360 . 1 1 31 31 LEU CG C 13 24.750 0.2 . 1 . . . . 31 LEU CG . 6803 1 361 . 1 1 31 31 LEU CD1 C 13 22.916 0.2 . 1 . . . . 31 LEU CD1 . 6803 1 362 . 1 1 31 31 LEU CD2 C 13 22.916 0.2 . 1 . . . . 31 LEU CD2 . 6803 1 363 . 1 1 31 31 LEU N N 15 120.140 0.2 . 1 . . . . 31 LEU N . 6803 1 364 . 1 1 32 32 THR H H 1 7.136 0.02 . 1 . . . . 32 THR HN . 6803 1 365 . 1 1 32 32 THR HA H 1 4.047 0.02 . 1 . . . . 32 THR HA . 6803 1 366 . 1 1 32 32 THR HB H 1 4.100 0.02 . 1 . . . . 32 THR HB . 6803 1 367 . 1 1 32 32 THR HG21 H 1 0.800 0.02 . 1 . . . . 32 THR HG2 . 6803 1 368 . 1 1 32 32 THR HG22 H 1 0.800 0.02 . 1 . . . . 32 THR HG2 . 6803 1 369 . 1 1 32 32 THR HG23 H 1 0.800 0.02 . 1 . . . . 32 THR HG2 . 6803 1 370 . 1 1 32 32 THR C C 13 175.993 0.2 . 1 . . . . 32 THR C . 6803 1 371 . 1 1 32 32 THR CA C 13 60.880 0.2 . 1 . . . . 32 THR CA . 6803 1 372 . 1 1 32 32 THR CB C 13 68.385 0.2 . 1 . . . . 32 THR CB . 6803 1 373 . 1 1 32 32 THR CG2 C 13 23.856 0.2 . 1 . . . . 32 THR CG2 . 6803 1 374 . 1 1 32 32 THR N N 15 125.830 0.2 . 1 . . . . 32 THR N . 6803 1 375 . 1 1 33 33 ARG H H 1 7.345 0.02 . 1 . . . . 33 ARG HN . 6803 1 376 . 1 1 33 33 ARG HA H 1 4.115 0.02 . 1 . . . . 33 ARG HA . 6803 1 377 . 1 1 33 33 ARG HB2 H 1 1.940 0.02 . 2 . . . . 33 ARG HB1 . 6803 1 378 . 1 1 33 33 ARG HB3 H 1 1.740 0.02 . 2 . . . . 33 ARG HB2 . 6803 1 379 . 1 1 33 33 ARG HG2 H 1 1.550 0.02 . 2 . . . . 33 ARG HG1 . 6803 1 380 . 1 1 33 33 ARG HG3 H 1 1.680 0.02 . 2 . . . . 33 ARG HG2 . 6803 1 381 . 1 1 33 33 ARG HD2 H 1 3.180 0.02 . 1 . . . . 33 ARG HD1 . 6803 1 382 . 1 1 33 33 ARG HD3 H 1 3.180 0.02 . 1 . . . . 33 ARG HD2 . 6803 1 383 . 1 1 33 33 ARG HE H 1 7.220 0.02 . 1 . . . . 33 ARG HE . 6803 1 384 . 1 1 33 33 ARG C C 13 177.322 0.2 . 1 . . . . 33 ARG C . 6803 1 385 . 1 1 33 33 ARG CA C 13 58.540 0.2 . 1 . . . . 33 ARG CA . 6803 1 386 . 1 1 33 33 ARG CB C 13 30.420 0.2 . 1 . . . . 33 ARG CB . 6803 1 387 . 1 1 33 33 ARG CG C 13 26.318 0.2 . 1 . . . . 33 ARG CG . 6803 1 388 . 1 1 33 33 ARG CD C 13 43.900 0.2 . 1 . . . . 33 ARG CD . 6803 1 389 . 1 1 33 33 ARG N N 15 125.250 0.2 . 1 . . . . 33 ARG N . 6803 1 390 . 1 1 33 33 ARG NE N 15 106.885 0.2 . 1 . . . . 33 ARG NE . 6803 1 391 . 1 1 34 34 GLY H H 1 9.131 0.02 . 1 . . . . 34 GLY HN . 6803 1 392 . 1 1 34 34 GLY HA2 H 1 4.142 0.02 . 2 . . . . 34 GLY HA1 . 6803 1 393 . 1 1 34 34 GLY HA3 H 1 3.752 0.02 . 2 . . . . 34 GLY HA2 . 6803 1 394 . 1 1 34 34 GLY C C 13 174.355 0.2 . 1 . . . . 34 GLY C . 6803 1 395 . 1 1 34 34 GLY CA C 13 46.200 0.2 . 1 . . . . 34 GLY CA . 6803 1 396 . 1 1 34 34 GLY N N 15 114.271 0.2 . 1 . . . . 34 GLY N . 6803 1 397 . 1 1 35 35 LYS H H 1 7.666 0.02 . 1 . . . . 35 LYS HN . 6803 1 398 . 1 1 35 35 LYS HA H 1 4.540 0.02 . 1 . . . . 35 LYS HA . 6803 1 399 . 1 1 35 35 LYS HB2 H 1 1.800 0.02 . 1 . . . . 35 LYS HB1 . 6803 1 400 . 1 1 35 35 LYS HB3 H 1 1.800 0.02 . 1 . . . . 35 LYS HB2 . 6803 1 401 . 1 1 35 35 LYS HG2 H 1 1.340 0.02 . 1 . . . . 35 LYS HG1 . 6803 1 402 . 1 1 35 35 LYS HG3 H 1 1.340 0.02 . 1 . . . . 35 LYS HG2 . 6803 1 403 . 1 1 35 35 LYS HD2 H 1 1.670 0.02 . 1 . . . . 35 LYS HD1 . 6803 1 404 . 1 1 35 35 LYS HD3 H 1 1.670 0.02 . 1 . . . . 35 LYS HD2 . 6803 1 405 . 1 1 35 35 LYS HE2 H 1 3.110 0.02 . 1 . . . . 35 LYS HE1 . 6803 1 406 . 1 1 35 35 LYS HE3 H 1 3.110 0.02 . 1 . . . . 35 LYS HE2 . 6803 1 407 . 1 1 35 35 LYS HZ1 H 1 8.640 0.02 . 1 . . . . 35 LYS HZ . 6803 1 408 . 1 1 35 35 LYS HZ2 H 1 8.640 0.02 . 1 . . . . 35 LYS HZ . 6803 1 409 . 1 1 35 35 LYS HZ3 H 1 8.640 0.02 . 1 . . . . 35 LYS HZ . 6803 1 410 . 1 1 35 35 LYS C C 13 176.613 0.2 . 1 . . . . 35 LYS C . 6803 1 411 . 1 1 35 35 LYS CA C 13 55.732 0.2 . 1 . . . . 35 LYS CA . 6803 1 412 . 1 1 35 35 LYS CB C 13 34.170 0.2 . 1 . . . . 35 LYS CB . 6803 1 413 . 1 1 35 35 LYS CG C 13 24.800 0.2 . 1 . . . . 35 LYS CG . 6803 1 414 . 1 1 35 35 LYS CD C 13 29.480 0.2 . 1 . . . . 35 LYS CD . 6803 1 415 . 1 1 35 35 LYS CE C 13 43.070 0.2 . 1 . . . . 35 LYS CE . 6803 1 416 . 1 1 35 35 LYS N N 15 118.850 0.2 . 1 . . . . 35 LYS N . 6803 1 417 . 1 1 36 36 GLN H H 1 9.130 0.02 . 1 . . . . 36 GLN HN . 6803 1 418 . 1 1 36 36 GLN HA H 1 4.720 0.02 . 1 . . . . 36 GLN HA . 6803 1 419 . 1 1 36 36 GLN HB2 H 1 2.130 0.02 . 2 . . . . 36 GLN HB1 . 6803 1 420 . 1 1 36 36 GLN HB3 H 1 1.850 0.02 . 2 . . . . 36 GLN HB2 . 6803 1 421 . 1 1 36 36 GLN HG2 H 1 2.270 0.02 . 1 . . . . 36 GLN HG1 . 6803 1 422 . 1 1 36 36 GLN HG3 H 1 2.270 0.02 . 1 . . . . 36 GLN HG2 . 6803 1 423 . 1 1 36 36 GLN HE21 H 1 7.226 0.02 . 2 . . . . 36 GLN HE21 . 6803 1 424 . 1 1 36 36 GLN HE22 H 1 6.708 0.02 . 2 . . . . 36 GLN HE22 . 6803 1 425 . 1 1 36 36 GLN C C 13 174.340 0.2 . 1 . . . . 36 GLN C . 6803 1 426 . 1 1 36 36 GLN CA C 13 54.232 0.2 . 1 . . . . 36 GLN CA . 6803 1 427 . 1 1 36 36 GLN CB C 13 31.762 0.2 . 1 . . . . 36 GLN CB . 6803 1 428 . 1 1 36 36 GLN CG C 13 33.672 0.2 . 1 . . . . 36 GLN CG . 6803 1 429 . 1 1 36 36 GLN N N 15 122.299 0.2 . 1 . . . . 36 GLN N . 6803 1 430 . 1 1 36 36 GLN NE2 N 15 111.730 0.2 . 1 . . . . 36 GLN NE2 . 6803 1 431 . 1 1 37 37 SER H H 1 8.950 0.02 . 1 . . . . 37 SER HN . 6803 1 432 . 1 1 37 37 SER HA H 1 4.915 0.02 . 1 . . . . 37 SER HA . 6803 1 433 . 1 1 37 37 SER HB2 H 1 3.212 0.02 . 2 . . . . 37 SER HB1 . 6803 1 434 . 1 1 37 37 SER HB3 H 1 3.708 0.02 . 2 . . . . 37 SER HB2 . 6803 1 435 . 1 1 37 37 SER HG H 1 5.700 0.02 . 1 . . . . 37 SER HG . 6803 1 436 . 1 1 37 37 SER C C 13 175.463 0.2 . 1 . . . . 37 SER C . 6803 1 437 . 1 1 37 37 SER CA C 13 55.730 0.2 . 1 . . . . 37 SER CA . 6803 1 438 . 1 1 37 37 SER CB C 13 66.510 0.2 . 1 . . . . 37 SER CB . 6803 1 439 . 1 1 37 37 SER N N 15 112.672 0.2 . 1 . . . . 37 SER N . 6803 1 440 . 1 1 38 38 ASN H H 1 8.990 0.02 . 1 . . . . 38 ASN HN . 6803 1 441 . 1 1 38 38 ASN HA H 1 4.890 0.02 . 1 . . . . 38 ASN HA . 6803 1 442 . 1 1 38 38 ASN HB2 H 1 2.950 0.02 . 2 . . . . 38 ASN HB1 . 6803 1 443 . 1 1 38 38 ASN HB3 H 1 2.820 0.02 . 2 . . . . 38 ASN HB2 . 6803 1 444 . 1 1 38 38 ASN HD21 H 1 7.756 0.02 . 2 . . . . 38 ASN HD21 . 6803 1 445 . 1 1 38 38 ASN HD22 H 1 6.980 0.02 . 2 . . . . 38 ASN HD22 . 6803 1 446 . 1 1 38 38 ASN C C 13 175.586 0.2 . 1 . . . . 38 ASN C . 6803 1 447 . 1 1 38 38 ASN CA C 13 53.380 0.2 . 1 . . . . 38 ASN CA . 6803 1 448 . 1 1 38 38 ASN CB C 13 38.412 0.2 . 1 . . . . 38 ASN CB . 6803 1 449 . 1 1 38 38 ASN N N 15 125.511 0.2 . 1 . . . . 38 ASN N . 6803 1 450 . 1 1 38 38 ASN ND2 N 15 113.640 0.2 . 1 . . . . 38 ASN ND2 . 6803 1 451 . 1 1 39 39 GLY H H 1 8.435 0.02 . 1 . . . . 39 GLY HN . 6803 1 452 . 1 1 39 39 GLY HA2 H 1 3.977 0.02 . 2 . . . . 39 GLY HA1 . 6803 1 453 . 1 1 39 39 GLY HA3 H 1 2.801 0.02 . 2 . . . . 39 GLY HA2 . 6803 1 454 . 1 1 39 39 GLY C C 13 171.604 0.2 . 1 . . . . 39 GLY C . 6803 1 455 . 1 1 39 39 GLY CA C 13 43.992 0.2 . 1 . . . . 39 GLY CA . 6803 1 456 . 1 1 39 39 GLY N N 15 107.279 0.2 . 1 . . . . 39 GLY N . 6803 1 457 . 1 1 40 40 LEU H H 1 8.430 0.02 . 1 . . . . 40 LEU HN . 6803 1 458 . 1 1 40 40 LEU HA H 1 4.279 0.02 . 1 . . . . 40 LEU HA . 6803 1 459 . 1 1 40 40 LEU HB2 H 1 1.070 0.02 . 2 . . . . 40 LEU HB1 . 6803 1 460 . 1 1 40 40 LEU HB3 H 1 0.930 0.02 . 2 . . . . 40 LEU HB2 . 6803 1 461 . 1 1 40 40 LEU HG H 1 0.870 0.02 . 1 . . . . 40 LEU HG . 6803 1 462 . 1 1 40 40 LEU HD11 H 1 -0.040 0.02 . 4 . . . . 40 LEU HD1 . 6803 1 463 . 1 1 40 40 LEU HD12 H 1 -0.040 0.02 . 4 . . . . 40 LEU HD1 . 6803 1 464 . 1 1 40 40 LEU HD13 H 1 -0.040 0.02 . 4 . . . . 40 LEU HD1 . 6803 1 465 . 1 1 40 40 LEU HD21 H 1 0.470 0.02 . 4 . . . . 40 LEU HD2 . 6803 1 466 . 1 1 40 40 LEU HD22 H 1 0.470 0.02 . 4 . . . . 40 LEU HD2 . 6803 1 467 . 1 1 40 40 LEU HD23 H 1 0.470 0.02 . 4 . . . . 40 LEU HD2 . 6803 1 468 . 1 1 40 40 LEU C C 13 174.366 0.2 . 1 . . . . 40 LEU C . 6803 1 469 . 1 1 40 40 LEU CA C 13 54.650 0.2 . 1 . . . . 40 LEU CA . 6803 1 470 . 1 1 40 40 LEU CB C 13 46.350 0.2 . 1 . . . . 40 LEU CB . 6803 1 471 . 1 1 40 40 LEU CG C 13 26.200 0.2 . 1 . . . . 40 LEU CG . 6803 1 472 . 1 1 40 40 LEU CD1 C 13 24.332 0.2 . 2 . . . . 40 LEU CD1 . 6803 1 473 . 1 1 40 40 LEU CD2 C 13 24.326 0.2 . 2 . . . . 40 LEU CD2 . 6803 1 474 . 1 1 40 40 LEU N N 15 119.080 0.2 . 1 . . . . 40 LEU N . 6803 1 475 . 1 1 41 41 HIS H H 1 9.059 0.02 . 1 . . . . 41 HIS HN . 6803 1 476 . 1 1 41 41 HIS HA H 1 5.450 0.02 . 1 . . . . 41 HIS HA . 6803 1 477 . 1 1 41 41 HIS HB2 H 1 3.230 0.02 . 2 . . . . 41 HIS HB1 . 6803 1 478 . 1 1 41 41 HIS HB3 H 1 3.120 0.02 . 2 . . . . 41 HIS HB2 . 6803 1 479 . 1 1 41 41 HIS HD1 H 1 6.500 0.02 . 3 . . . . 41 HIS HD1 . 6803 1 480 . 1 1 41 41 HIS HD2 H 1 7.260 0.02 . 3 . . . . 41 HIS HD2 . 6803 1 481 . 1 1 41 41 HIS HE1 H 1 8.917 0.02 . 3 . . . . 41 HIS HE1 . 6803 1 482 . 1 1 41 41 HIS HE2 H 1 9.770 0.02 . 3 . . . . 41 HIS HE2 . 6803 1 483 . 1 1 41 41 HIS C C 13 173.213 0.2 . 1 . . . . 41 HIS C . 6803 1 484 . 1 1 41 41 HIS CA C 13 54.790 0.2 . 1 . . . . 41 HIS CA . 6803 1 485 . 1 1 41 41 HIS CB C 13 30.000 0.2 . 1 . . . . 41 HIS CB . 6803 1 486 . 1 1 41 41 HIS N N 15 123.229 0.2 . 1 . . . . 41 HIS N . 6803 1 487 . 1 1 42 42 GLY H H 1 8.381 0.02 . 1 . . . . 42 GLY HN . 6803 1 488 . 1 1 42 42 GLY HA2 H 1 4.270 0.02 . 2 . . . . 42 GLY HA1 . 6803 1 489 . 1 1 42 42 GLY HA3 H 1 3.790 0.02 . 2 . . . . 42 GLY HA2 . 6803 1 490 . 1 1 42 42 GLY C C 13 170.331 0.2 . 1 . . . . 42 GLY C . 6803 1 491 . 1 1 42 42 GLY CA C 13 44.959 0.2 . 1 . . . . 42 GLY CA . 6803 1 492 . 1 1 42 42 GLY N N 15 111.881 0.2 . 1 . . . . 42 GLY N . 6803 1 493 . 1 1 43 43 ASP H H 1 8.090 0.02 . 1 . . . . 43 ASP HN . 6803 1 494 . 1 1 43 43 ASP HA H 1 4.840 0.02 . 1 . . . . 43 ASP HA . 6803 1 495 . 1 1 43 43 ASP HB2 H 1 2.570 0.02 . 2 . . . . 43 ASP HB1 . 6803 1 496 . 1 1 43 43 ASP HB3 H 1 2.182 0.02 . 2 . . . . 43 ASP HB2 . 6803 1 497 . 1 1 43 43 ASP C C 13 174.769 0.2 . 1 . . . . 43 ASP C . 6803 1 498 . 1 1 43 43 ASP CA C 13 52.900 0.2 . 1 . . . . 43 ASP CA . 6803 1 499 . 1 1 43 43 ASP CB C 13 41.300 0.2 . 1 . . . . 43 ASP CB . 6803 1 500 . 1 1 43 43 ASP N N 15 121.900 0.2 . 1 . . . . 43 ASP N . 6803 1 501 . 1 1 44 44 TYR H H 1 8.180 0.02 . 1 . . . . 44 TYR HN . 6803 1 502 . 1 1 44 44 TYR HA H 1 4.720 0.02 . 1 . . . . 44 TYR HA . 6803 1 503 . 1 1 44 44 TYR HB2 H 1 3.153 0.02 . 2 . . . . 44 TYR HB1 . 6803 1 504 . 1 1 44 44 TYR HB3 H 1 2.323 0.02 . 2 . . . . 44 TYR HB2 . 6803 1 505 . 1 1 44 44 TYR HD1 H 1 6.760 0.02 . 3 . . . . 44 TYR HD1 . 6803 1 506 . 1 1 44 44 TYR HD2 H 1 6.610 0.02 . 3 . . . . 44 TYR HD2 . 6803 1 507 . 1 1 44 44 TYR HE1 H 1 6.430 0.02 . 3 . . . . 44 TYR HE1 . 6803 1 508 . 1 1 44 44 TYR HE2 H 1 6.920 0.02 . 2 . . . . 44 TYR HE2 . 6803 1 509 . 1 1 44 44 TYR C C 13 176.926 0.2 . 1 . . . . 44 TYR C . 6803 1 510 . 1 1 44 44 TYR CA C 13 57.607 0.2 . 1 . . . . 44 TYR CA . 6803 1 511 . 1 1 44 44 TYR CB C 13 43.027 0.2 . 1 . . . . 44 TYR CB . 6803 1 512 . 1 1 44 44 TYR N N 15 121.370 0.2 . 1 . . . . 44 TYR N . 6803 1 513 . 1 1 45 45 ASP H H 1 8.082 0.02 . 1 . . . . 45 ASP HN . 6803 1 514 . 1 1 45 45 ASP HA H 1 4.890 0.02 . 1 . . . . 45 ASP HA . 6803 1 515 . 1 1 45 45 ASP HB2 H 1 2.980 0.02 . 2 . . . . 45 ASP HB1 . 6803 1 516 . 1 1 45 45 ASP HB3 H 1 2.790 0.02 . 2 . . . . 45 ASP HB2 . 6803 1 517 . 1 1 45 45 ASP C C 13 176.301 0.2 . 1 . . . . 45 ASP C . 6803 1 518 . 1 1 45 45 ASP CA C 13 52.767 0.2 . 1 . . . . 45 ASP CA . 6803 1 519 . 1 1 45 45 ASP CB C 13 41.400 0.2 . 1 . . . . 45 ASP CB . 6803 1 520 . 1 1 45 45 ASP N N 15 122.699 0.2 . 1 . . . . 45 ASP N . 6803 1 521 . 1 1 46 46 VAL H H 1 8.285 0.02 . 1 . . . . 46 VAL HN . 6803 1 522 . 1 1 46 46 VAL HA H 1 3.673 0.02 . 1 . . . . 46 VAL HA . 6803 1 523 . 1 1 46 46 VAL HB H 1 1.630 0.02 . 1 . . . . 46 VAL HB . 6803 1 524 . 1 1 46 46 VAL HG11 H 1 -0.411 0.02 . 4 . . . . 46 VAL HG1 . 6803 1 525 . 1 1 46 46 VAL HG12 H 1 -0.411 0.02 . 4 . . . . 46 VAL HG1 . 6803 1 526 . 1 1 46 46 VAL HG13 H 1 -0.411 0.02 . 4 . . . . 46 VAL HG1 . 6803 1 527 . 1 1 46 46 VAL HG21 H 1 0.843 0.02 . 4 . . . . 46 VAL HG2 . 6803 1 528 . 1 1 46 46 VAL HG22 H 1 0.843 0.02 . 4 . . . . 46 VAL HG2 . 6803 1 529 . 1 1 46 46 VAL HG23 H 1 0.843 0.02 . 4 . . . . 46 VAL HG2 . 6803 1 530 . 1 1 46 46 VAL C C 13 177.716 0.2 . 1 . . . . 46 VAL C . 6803 1 531 . 1 1 46 46 VAL CA C 13 66.982 0.2 . 1 . . . . 46 VAL CA . 6803 1 532 . 1 1 46 46 VAL CB C 13 31.392 0.2 . 1 . . . . 46 VAL CB . 6803 1 533 . 1 1 46 46 VAL CG1 C 13 19.638 0.2 . 2 . . . . 46 VAL CG1 . 6803 1 534 . 1 1 46 46 VAL CG2 C 13 19.637 0.2 . 1 . . . . 46 VAL CG2 . 6803 1 535 . 1 1 46 46 VAL N N 15 120.413 0.2 . 1 . . . . 46 VAL N . 6803 1 536 . 1 1 47 47 GLU H H 1 8.458 0.02 . 1 . . . . 47 GLU HN . 6803 1 537 . 1 1 47 47 GLU HA H 1 3.250 0.02 . 1 . . . . 47 GLU HA . 6803 1 538 . 1 1 47 47 GLU HB2 H 1 1.970 0.02 . 2 . . . . 47 GLU HB1 . 6803 1 539 . 1 1 47 47 GLU HB3 H 1 2.040 0.02 . 2 . . . . 47 GLU HB2 . 6803 1 540 . 1 1 47 47 GLU HG2 H 1 2.120 0.02 . 2 . . . . 47 GLU HG1 . 6803 1 541 . 1 1 47 47 GLU HG3 H 1 2.110 0.02 . 2 . . . . 47 GLU HG2 . 6803 1 542 . 1 1 47 47 GLU C C 13 178.723 0.2 . 1 . . . . 47 GLU C . 6803 1 543 . 1 1 47 47 GLU CA C 13 60.888 0.2 . 1 . . . . 47 GLU CA . 6803 1 544 . 1 1 47 47 GLU CB C 13 29.530 0.2 . 1 . . . . 47 GLU CB . 6803 1 545 . 1 1 47 47 GLU CG C 13 37.350 0.2 . 1 . . . . 47 GLU CG . 6803 1 546 . 1 1 47 47 GLU N N 15 118.562 0.2 . 1 . . . . 47 GLU N . 6803 1 547 . 1 1 48 48 SER H H 1 8.220 0.02 . 1 . . . . 48 SER HN . 6803 1 548 . 1 1 48 48 SER HA H 1 4.170 0.02 . 1 . . . . 48 SER HA . 6803 1 549 . 1 1 48 48 SER HB2 H 1 4.000 0.02 . 1 . . . . 48 SER HB1 . 6803 1 550 . 1 1 48 48 SER HB3 H 1 4.000 0.02 . 1 . . . . 48 SER HB2 . 6803 1 551 . 1 1 48 48 SER C C 13 177.950 0.2 . 1 . . . . 48 SER C . 6803 1 552 . 1 1 48 48 SER CA C 13 62.763 0.2 . 1 . . . . 48 SER CA . 6803 1 553 . 1 1 48 48 SER CB C 13 62.763 0.2 . 1 . . . . 48 SER CB . 6803 1 554 . 1 1 48 48 SER N N 15 114.617 0.2 . 1 . . . . 48 SER N . 6803 1 555 . 1 1 49 49 GLY H H 1 8.860 0.02 . 1 . . . . 49 GLY HN . 6803 1 556 . 1 1 49 49 GLY HA2 H 1 3.660 0.02 . 2 . . . . 49 GLY HA1 . 6803 1 557 . 1 1 49 49 GLY HA3 H 1 3.010 0.02 . 2 . . . . 49 GLY HA2 . 6803 1 558 . 1 1 49 49 GLY C C 13 175.160 0.2 . 1 . . . . 49 GLY C . 6803 1 559 . 1 1 49 49 GLY CA C 13 46.997 0.2 . 1 . . . . 49 GLY CA . 6803 1 560 . 1 1 49 49 GLY N N 15 112.580 0.2 . 1 . . . . 49 GLY N . 6803 1 561 . 1 1 50 50 LEU H H 1 8.240 0.02 . 1 . . . . 50 LEU HN . 6803 1 562 . 1 1 50 50 LEU HA H 1 3.649 0.02 . 1 . . . . 50 LEU HA . 6803 1 563 . 1 1 50 50 LEU HB2 H 1 1.620 0.02 . 2 . . . . 50 LEU HB1 . 6803 1 564 . 1 1 50 50 LEU HB3 H 1 1.360 0.02 . 2 . . . . 50 LEU HB2 . 6803 1 565 . 1 1 50 50 LEU HG H 1 0.850 0.02 . 1 . . . . 50 LEU HG . 6803 1 566 . 1 1 50 50 LEU HD11 H 1 0.600 0.02 . 4 . . . . 50 LEU HD1 . 6803 1 567 . 1 1 50 50 LEU HD12 H 1 0.600 0.02 . 4 . . . . 50 LEU HD1 . 6803 1 568 . 1 1 50 50 LEU HD13 H 1 0.600 0.02 . 4 . . . . 50 LEU HD1 . 6803 1 569 . 1 1 50 50 LEU HD21 H 1 -0.200 0.02 . 4 . . . . 50 LEU HD2 . 6803 1 570 . 1 1 50 50 LEU HD22 H 1 -0.200 0.02 . 4 . . . . 50 LEU HD2 . 6803 1 571 . 1 1 50 50 LEU HD23 H 1 -0.200 0.02 . 4 . . . . 50 LEU HD2 . 6803 1 572 . 1 1 50 50 LEU C C 13 178.125 0.2 . 1 . . . . 50 LEU C . 6803 1 573 . 1 1 50 50 LEU CA C 13 57.607 0.2 . 1 . . . . 50 LEU CA . 6803 1 574 . 1 1 50 50 LEU CB C 13 42.216 0.2 . 1 . . . . 50 LEU CB . 6803 1 575 . 1 1 50 50 LEU CG C 13 27.140 0.2 . 1 . . . . 50 LEU CG . 6803 1 576 . 1 1 50 50 LEU CD1 C 13 23.857 0.2 . 2 . . . . 50 LEU CD1 . 6803 1 577 . 1 1 50 50 LEU CD2 C 13 24.794 0.2 . 2 . . . . 50 LEU CD2 . 6803 1 578 . 1 1 50 50 LEU N N 15 121.574 0.2 . 1 . . . . 50 LEU N . 6803 1 579 . 1 1 51 51 GLN H H 1 7.820 0.02 . 1 . . . . 51 GLN HN . 6803 1 580 . 1 1 51 51 GLN HA H 1 3.770 0.02 . 1 . . . . 51 GLN HA . 6803 1 581 . 1 1 51 51 GLN HB2 H 1 2.050 0.02 . 2 . . . . 51 GLN HB1 . 6803 1 582 . 1 1 51 51 GLN HB3 H 1 2.163 0.02 . 2 . . . . 51 GLN HB2 . 6803 1 583 . 1 1 51 51 GLN HG2 H 1 2.370 0.02 . 2 . . . . 51 GLN HG1 . 6803 1 584 . 1 1 51 51 GLN HG3 H 1 2.440 0.02 . 2 . . . . 51 GLN HG2 . 6803 1 585 . 1 1 51 51 GLN HE21 H 1 7.440 0.02 . 2 . . . . 51 GLN HE21 . 6803 1 586 . 1 1 51 51 GLN HE22 H 1 6.830 0.02 . 2 . . . . 51 GLN HE22 . 6803 1 587 . 1 1 51 51 GLN C C 13 179.029 0.2 . 1 . . . . 51 GLN C . 6803 1 588 . 1 1 51 51 GLN CA C 13 59.482 0.2 . 1 . . . . 51 GLN CA . 6803 1 589 . 1 1 51 51 GLN CB C 13 28.145 0.2 . 1 . . . . 51 GLN CB . 6803 1 590 . 1 1 51 51 GLN CG C 13 33.825 0.2 . 1 . . . . 51 GLN CG . 6803 1 591 . 1 1 51 51 GLN N N 15 115.750 0.2 . 1 . . . . 51 GLN N . 6803 1 592 . 1 1 51 51 GLN NE2 N 15 111.459 0.2 . 1 . . . . 51 GLN NE2 . 6803 1 593 . 1 1 52 52 GLN H H 1 7.689 0.02 . 1 . . . . 52 GLN HN . 6803 1 594 . 1 1 52 52 GLN HA H 1 4.010 0.02 . 1 . . . . 52 GLN HA . 6803 1 595 . 1 1 52 52 GLN HB2 H 1 1.970 0.02 . 2 . . . . 52 GLN HB1 . 6803 1 596 . 1 1 52 52 GLN HB3 H 1 1.700 0.02 . 2 . . . . 52 GLN HB2 . 6803 1 597 . 1 1 52 52 GLN HG2 H 1 2.100 0.02 . 2 . . . . 52 GLN HG1 . 6803 1 598 . 1 1 52 52 GLN HG3 H 1 2.240 0.02 . 2 . . . . 52 GLN HG2 . 6803 1 599 . 1 1 52 52 GLN HE21 H 1 7.448 0.02 . 2 . . . . 52 GLN HE21 . 6803 1 600 . 1 1 52 52 GLN HE22 H 1 6.814 0.02 . 2 . . . . 52 GLN HE22 . 6803 1 601 . 1 1 52 52 GLN C C 13 179.496 0.2 . 1 . . . . 52 GLN C . 6803 1 602 . 1 1 52 52 GLN CA C 13 58.544 0.2 . 1 . . . . 52 GLN CA . 6803 1 603 . 1 1 52 52 GLN CB C 13 27.600 0.2 . 1 . . . . 52 GLN CB . 6803 1 604 . 1 1 52 52 GLN CG C 13 33.580 0.2 . 1 . . . . 52 GLN CG . 6803 1 605 . 1 1 52 52 GLN N N 15 117.938 0.2 . 1 . . . . 52 GLN N . 6803 1 606 . 1 1 52 52 GLN NE2 N 15 113.460 0.2 . 1 . . . . 52 GLN NE2 . 6803 1 607 . 1 1 53 53 LEU H H 1 8.195 0.02 . 1 . . . . 53 LEU HN . 6803 1 608 . 1 1 53 53 LEU HA H 1 3.760 0.02 . 1 . . . . 53 LEU HA . 6803 1 609 . 1 1 53 53 LEU HB2 H 1 1.780 0.02 . 2 . . . . 53 LEU HB1 . 6803 1 610 . 1 1 53 53 LEU HB3 H 1 1.063 0.02 . 2 . . . . 53 LEU HB2 . 6803 1 611 . 1 1 53 53 LEU HG H 1 1.330 0.02 . 1 . . . . 53 LEU HG . 6803 1 612 . 1 1 53 53 LEU HD11 H 1 0.496 0.02 . 2 . . . . 53 LEU HD1 . 6803 1 613 . 1 1 53 53 LEU HD12 H 1 0.496 0.02 . 2 . . . . 53 LEU HD1 . 6803 1 614 . 1 1 53 53 LEU HD13 H 1 0.496 0.02 . 2 . . . . 53 LEU HD1 . 6803 1 615 . 1 1 53 53 LEU HD21 H 1 0.380 0.02 . 4 . . . . 53 LEU HD2 . 6803 1 616 . 1 1 53 53 LEU HD22 H 1 0.380 0.02 . 4 . . . . 53 LEU HD2 . 6803 1 617 . 1 1 53 53 LEU HD23 H 1 0.380 0.02 . 4 . . . . 53 LEU HD2 . 6803 1 618 . 1 1 53 53 LEU C C 13 179.044 0.2 . 1 . . . . 53 LEU C . 6803 1 619 . 1 1 53 53 LEU CA C 13 57.607 0.2 . 1 . . . . 53 LEU CA . 6803 1 620 . 1 1 53 53 LEU CB C 13 42.514 0.2 . 1 . . . . 53 LEU CB . 6803 1 621 . 1 1 53 53 LEU CG C 13 26.200 0.2 . 1 . . . . 53 LEU CG . 6803 1 622 . 1 1 53 53 LEU CD1 C 13 24.326 0.2 . 1 . . . . 53 LEU CD1 . 6803 1 623 . 1 1 53 53 LEU CD2 C 13 26.203 0.2 . 2 . . . . 53 LEU CD2 . 6803 1 624 . 1 1 53 53 LEU N N 15 121.023 0.2 . 1 . . . . 53 LEU N . 6803 1 625 . 1 1 54 54 LEU H H 1 7.630 0.02 . 1 . . . . 54 LEU HN . 6803 1 626 . 1 1 54 54 LEU HA H 1 4.120 0.02 . 1 . . . . 54 LEU HA . 6803 1 627 . 1 1 54 54 LEU HB2 H 1 1.790 0.02 . 1 . . . . 54 LEU HB1 . 6803 1 628 . 1 1 54 54 LEU HB3 H 1 1.790 0.02 . 1 . . . . 54 LEU HB2 . 6803 1 629 . 1 1 54 54 LEU HG H 1 1.320 0.02 . 1 . . . . 54 LEU HG . 6803 1 630 . 1 1 54 54 LEU HD11 H 1 0.680 0.02 . 4 . . . . 54 LEU HD1 . 6803 1 631 . 1 1 54 54 LEU HD12 H 1 0.680 0.02 . 4 . . . . 54 LEU HD1 . 6803 1 632 . 1 1 54 54 LEU HD13 H 1 0.680 0.02 . 4 . . . . 54 LEU HD1 . 6803 1 633 . 1 1 54 54 LEU HD21 H 1 0.780 0.02 . 4 . . . . 54 LEU HD2 . 6803 1 634 . 1 1 54 54 LEU HD22 H 1 0.780 0.02 . 4 . . . . 54 LEU HD2 . 6803 1 635 . 1 1 54 54 LEU HD23 H 1 0.780 0.02 . 4 . . . . 54 LEU HD2 . 6803 1 636 . 1 1 54 54 LEU C C 13 177.783 0.2 . 1 . . . . 54 LEU C . 6803 1 637 . 1 1 54 54 LEU CA C 13 54.400 0.2 . 1 . . . . 54 LEU CA . 6803 1 638 . 1 1 54 54 LEU CB C 13 42.260 0.2 . 1 . . . . 54 LEU CB . 6803 1 639 . 1 1 54 54 LEU CG C 13 26.590 0.2 . 1 . . . . 54 LEU CG . 6803 1 640 . 1 1 54 54 LEU CD1 C 13 25.263 0.2 . 1 . . . . 54 LEU CD1 . 6803 1 641 . 1 1 54 54 LEU CD2 C 13 23.857 0.2 . 2 . . . . 54 LEU CD2 . 6803 1 642 . 1 1 54 54 LEU N N 15 114.519 0.2 . 1 . . . . 54 LEU N . 6803 1 643 . 1 1 55 55 ASP H H 1 7.443 0.02 . 1 . . . . 55 ASP HN . 6803 1 644 . 1 1 55 55 ASP HA H 1 4.490 0.02 . 1 . . . . 55 ASP HA . 6803 1 645 . 1 1 55 55 ASP HB2 H 1 2.750 0.02 . 2 . . . . 55 ASP HB1 . 6803 1 646 . 1 1 55 55 ASP HB3 H 1 2.850 0.02 . 2 . . . . 55 ASP HB2 . 6803 1 647 . 1 1 55 55 ASP C C 13 177.439 0.2 . 1 . . . . 55 ASP C . 6803 1 648 . 1 1 55 55 ASP CA C 13 57.138 0.2 . 1 . . . . 55 ASP CA . 6803 1 649 . 1 1 55 55 ASP CB C 13 41.331 0.2 . 1 . . . . 55 ASP CB . 6803 1 650 . 1 1 55 55 ASP N N 15 124.056 0.2 . 1 . . . . 55 ASP N . 6803 1 651 . 1 1 56 56 GLY H H 1 8.940 0.02 . 1 . . . . 56 GLY HN . 6803 1 652 . 1 1 56 56 GLY HA2 H 1 4.340 0.02 . 2 . . . . 56 GLY HA1 . 6803 1 653 . 1 1 56 56 GLY HA3 H 1 3.797 0.02 . 2 . . . . 56 GLY HA2 . 6803 1 654 . 1 1 56 56 GLY C C 13 175.455 0.2 . 1 . . . . 56 GLY C . 6803 1 655 . 1 1 56 56 GLY CA C 13 45.906 0.2 . 1 . . . . 56 GLY CA . 6803 1 656 . 1 1 56 56 GLY N N 15 116.507 0.2 . 1 . . . . 56 GLY N . 6803 1 657 . 1 1 57 57 SER H H 1 8.560 0.02 . 1 . . . . 57 SER HN . 6803 1 658 . 1 1 57 57 SER HA H 1 4.326 0.02 . 1 . . . . 57 SER HA . 6803 1 659 . 1 1 57 57 SER HB2 H 1 4.112 0.02 . 2 . . . . 57 SER HB1 . 6803 1 660 . 1 1 57 57 SER HB3 H 1 3.741 0.02 . 2 . . . . 57 SER HB2 . 6803 1 661 . 1 1 57 57 SER HG H 1 6.220 0.02 . 1 . . . . 57 SER HG . 6803 1 662 . 1 1 57 57 SER C C 13 175.849 0.2 . 1 . . . . 57 SER C . 6803 1 663 . 1 1 57 57 SER CA C 13 60.419 0.2 . 1 . . . . 57 SER CA . 6803 1 664 . 1 1 57 57 SER CB C 13 66.044 0.2 . 1 . . . . 57 SER CB . 6803 1 665 . 1 1 57 57 SER N N 15 115.046 0.2 . 1 . . . . 57 SER N . 6803 1 666 . 1 1 58 58 GLY H H 1 8.859 0.02 . 1 . . . . 58 GLY HN . 6803 1 667 . 1 1 58 58 GLY HA2 H 1 4.240 0.02 . 2 . . . . 58 GLY HA1 . 6803 1 668 . 1 1 58 58 GLY HA3 H 1 3.770 0.02 . 2 . . . . 58 GLY HA2 . 6803 1 669 . 1 1 58 58 GLY C C 13 173.751 0.2 . 1 . . . . 58 GLY C . 6803 1 670 . 1 1 58 58 GLY CA C 13 46.005 0.2 . 1 . . . . 58 GLY CA . 6803 1 671 . 1 1 58 58 GLY N N 15 111.513 0.2 . 1 . . . . 58 GLY N . 6803 1 672 . 1 1 59 59 LEU H H 1 8.080 0.02 . 1 . . . . 59 LEU HN . 6803 1 673 . 1 1 59 59 LEU HA H 1 4.950 0.02 . 1 . . . . 59 LEU HA . 6803 1 674 . 1 1 59 59 LEU HB2 H 1 1.930 0.02 . 2 . . . . 59 LEU HB1 . 6803 1 675 . 1 1 59 59 LEU HB3 H 1 1.130 0.02 . 2 . . . . 59 LEU HB2 . 6803 1 676 . 1 1 59 59 LEU HG H 1 1.090 0.02 . 1 . . . . 59 LEU HG . 6803 1 677 . 1 1 59 59 LEU HD11 H 1 0.770 0.02 . 4 . . . . 59 LEU HD1 . 6803 1 678 . 1 1 59 59 LEU HD12 H 1 0.770 0.02 . 4 . . . . 59 LEU HD1 . 6803 1 679 . 1 1 59 59 LEU HD13 H 1 0.770 0.02 . 4 . . . . 59 LEU HD1 . 6803 1 680 . 1 1 59 59 LEU HD21 H 1 0.770 0.02 . 4 . . . . 59 LEU HD2 . 6803 1 681 . 1 1 59 59 LEU HD22 H 1 0.770 0.02 . 4 . . . . 59 LEU HD2 . 6803 1 682 . 1 1 59 59 LEU HD23 H 1 0.770 0.02 . 4 . . . . 59 LEU HD2 . 6803 1 683 . 1 1 59 59 LEU C C 13 175.105 0.2 . 1 . . . . 59 LEU C . 6803 1 684 . 1 1 59 59 LEU CA C 13 53.380 0.2 . 1 . . . . 59 LEU CA . 6803 1 685 . 1 1 59 59 LEU CB C 13 44.879 0.2 . 1 . . . . 59 LEU CB . 6803 1 686 . 1 1 59 59 LEU CG C 13 25.263 0.2 . 1 . . . . 59 LEU CG . 6803 1 687 . 1 1 59 59 LEU CD1 C 13 23.388 0.2 . 1 . . . . 59 LEU CD1 . 6803 1 688 . 1 1 59 59 LEU CD2 C 13 23.388 0.2 . 1 . . . . 59 LEU CD2 . 6803 1 689 . 1 1 59 59 LEU N N 15 120.111 0.2 . 1 . . . . 59 LEU N . 6803 1 690 . 1 1 60 60 GLN H H 1 9.330 0.02 . 1 . . . . 60 GLN HN . 6803 1 691 . 1 1 60 60 GLN HA H 1 4.920 0.02 . 1 . . . . 60 GLN HA . 6803 1 692 . 1 1 60 60 GLN HB2 H 1 2.000 0.02 . 2 . . . . 60 GLN HB1 . 6803 1 693 . 1 1 60 60 GLN HB3 H 1 1.880 0.02 . 2 . . . . 60 GLN HB2 . 6803 1 694 . 1 1 60 60 GLN HG2 H 1 2.240 0.02 . 2 . . . . 60 GLN HG1 . 6803 1 695 . 1 1 60 60 GLN HG3 H 1 2.100 0.02 . 2 . . . . 60 GLN HG2 . 6803 1 696 . 1 1 60 60 GLN HE21 H 1 7.902 0.02 . 2 . . . . 60 GLN HE21 . 6803 1 697 . 1 1 60 60 GLN HE22 H 1 6.820 0.02 . 2 . . . . 60 GLN HE22 . 6803 1 698 . 1 1 60 60 GLN C C 13 173.984 0.2 . 1 . . . . 60 GLN C . 6803 1 699 . 1 1 60 60 GLN CA C 13 53.228 0.2 . 1 . . . . 60 GLN CA . 6803 1 700 . 1 1 60 60 GLN CB C 13 32.089 0.2 . 1 . . . . 60 GLN CB . 6803 1 701 . 1 1 60 60 GLN CG C 13 32.742 0.2 . 1 . . . . 60 GLN CG . 6803 1 702 . 1 1 60 60 GLN N N 15 117.850 0.2 . 1 . . . . 60 GLN N . 6803 1 703 . 1 1 60 60 GLN NE2 N 15 111.867 0.2 . 1 . . . . 60 GLN NE2 . 6803 1 704 . 1 1 61 61 VAL H H 1 8.510 0.02 . 1 . . . . 61 VAL HN . 6803 1 705 . 1 1 61 61 VAL HA H 1 4.788 0.02 . 1 . . . . 61 VAL HA . 6803 1 706 . 1 1 61 61 VAL HB H 1 1.990 0.02 . 1 . . . . 61 VAL HB . 6803 1 707 . 1 1 61 61 VAL HG11 H 1 0.840 0.02 . 2 . . . . 61 VAL HG1 . 6803 1 708 . 1 1 61 61 VAL HG12 H 1 0.840 0.02 . 2 . . . . 61 VAL HG1 . 6803 1 709 . 1 1 61 61 VAL HG13 H 1 0.840 0.02 . 2 . . . . 61 VAL HG1 . 6803 1 710 . 1 1 61 61 VAL HG21 H 1 0.660 0.02 . 2 . . . . 61 VAL HG2 . 6803 1 711 . 1 1 61 61 VAL HG22 H 1 0.660 0.02 . 2 . . . . 61 VAL HG2 . 6803 1 712 . 1 1 61 61 VAL HG23 H 1 0.660 0.02 . 2 . . . . 61 VAL HG2 . 6803 1 713 . 1 1 61 61 VAL C C 13 175.159 0.2 . 1 . . . . 61 VAL C . 6803 1 714 . 1 1 61 61 VAL CA C 13 60.888 0.2 . 1 . . . . 61 VAL CA . 6803 1 715 . 1 1 61 61 VAL CB C 13 33.766 0.2 . 1 . . . . 61 VAL CB . 6803 1 716 . 1 1 61 61 VAL CG1 C 13 21.982 0.2 . 1 . . . . 61 VAL CG1 . 6803 1 717 . 1 1 61 61 VAL CG2 C 13 25.263 0.2 . 1 . . . . 61 VAL CG2 . 6803 1 718 . 1 1 61 61 VAL N N 15 117.859 0.2 . 1 . . . . 61 VAL N . 6803 1 719 . 1 1 62 62 LYS H H 1 8.779 0.02 . 1 . . . . 62 LYS HN . 6803 1 720 . 1 1 62 62 LYS HA H 1 3.820 0.02 . 1 . . . . 62 LYS HA . 6803 1 721 . 1 1 62 62 LYS HB2 H 1 1.670 0.02 . 2 . . . . 62 LYS HB1 . 6803 1 722 . 1 1 62 62 LYS HB3 H 1 1.500 0.02 . 2 . . . . 62 LYS HB2 . 6803 1 723 . 1 1 62 62 LYS HG2 H 1 1.160 0.02 . 2 . . . . 62 LYS HG1 . 6803 1 724 . 1 1 62 62 LYS HG3 H 1 1.340 0.02 . 2 . . . . 62 LYS HG2 . 6803 1 725 . 1 1 62 62 LYS HD2 H 1 1.570 0.02 . 1 . . . . 62 LYS HD1 . 6803 1 726 . 1 1 62 62 LYS HD3 H 1 1.570 0.02 . 1 . . . . 62 LYS HD2 . 6803 1 727 . 1 1 62 62 LYS HE2 H 1 2.800 0.02 . 1 . . . . 62 LYS HE1 . 6803 1 728 . 1 1 62 62 LYS HE3 H 1 2.800 0.02 . 1 . . . . 62 LYS HE2 . 6803 1 729 . 1 1 62 62 LYS CA C 13 51.550 0.2 . 1 . . . . 62 LYS CA . 6803 1 730 . 1 1 62 62 LYS CB C 13 35.107 0.2 . 1 . . . . 62 LYS CB . 6803 1 731 . 1 1 62 62 LYS CG C 13 24.326 0.2 . 1 . . . . 62 LYS CG . 6803 1 732 . 1 1 62 62 LYS N N 15 125.417 0.2 . 1 . . . . 62 LYS N . 6803 1 733 . 1 1 63 63 PRO HA H 1 3.940 0.02 . 1 . . . . 63 PRO HA . 6803 1 734 . 1 1 63 63 PRO HB2 H 1 1.550 0.02 . 1 . . . . 63 PRO HB1 . 6803 1 735 . 1 1 63 63 PRO HB3 H 1 1.550 0.02 . 1 . . . . 63 PRO HB2 . 6803 1 736 . 1 1 63 63 PRO HG2 H 1 2.010 0.02 . 1 . . . . 63 PRO HG1 . 6803 1 737 . 1 1 63 63 PRO HG3 H 1 2.010 0.02 . 1 . . . . 63 PRO HG2 . 6803 1 738 . 1 1 63 63 PRO HD2 H 1 3.800 0.02 . 1 . . . . 63 PRO HD1 . 6803 1 739 . 1 1 63 63 PRO HD3 H 1 3.800 0.02 . 1 . . . . 63 PRO HD2 . 6803 1 740 . 1 1 63 63 PRO C C 13 176.673 0.2 . 1 . . . . 63 PRO C . 6803 1 741 . 1 1 63 63 PRO CA C 13 62.763 0.2 . 1 . . . . 63 PRO CA . 6803 1 742 . 1 1 63 63 PRO CB C 13 29.010 0.2 . 1 . . . . 63 PRO CB . 6803 1 743 . 1 1 63 63 PRO CG C 13 26.570 0.2 . 1 . . . . 63 PRO CG . 6803 1 744 . 1 1 63 63 PRO CD C 13 51.400 0.2 . 1 . . . . 63 PRO CD . 6803 1 745 . 1 1 64 64 LEU H H 1 7.950 0.02 . 1 . . . . 64 LEU HN . 6803 1 746 . 1 1 64 64 LEU HA H 1 4.380 0.02 . 1 . . . . 64 LEU HA . 6803 1 747 . 1 1 64 64 LEU HB2 H 1 1.330 0.02 . 1 . . . . 64 LEU HB1 . 6803 1 748 . 1 1 64 64 LEU HB3 H 1 1.330 0.02 . 1 . . . . 64 LEU HB2 . 6803 1 749 . 1 1 64 64 LEU HG H 1 1.520 0.02 . 1 . . . . 64 LEU HG . 6803 1 750 . 1 1 64 64 LEU HD11 H 1 0.750 0.02 . 4 . . . . 64 LEU HD1 . 6803 1 751 . 1 1 64 64 LEU HD12 H 1 0.750 0.02 . 4 . . . . 64 LEU HD1 . 6803 1 752 . 1 1 64 64 LEU HD13 H 1 0.750 0.02 . 4 . . . . 64 LEU HD1 . 6803 1 753 . 1 1 64 64 LEU HD21 H 1 0.752 0.02 . 4 . . . . 64 LEU HD2 . 6803 1 754 . 1 1 64 64 LEU HD22 H 1 0.752 0.02 . 4 . . . . 64 LEU HD2 . 6803 1 755 . 1 1 64 64 LEU HD23 H 1 0.752 0.02 . 4 . . . . 64 LEU HD2 . 6803 1 756 . 1 1 64 64 LEU C C 13 177.585 0.2 . 1 . . . . 64 LEU C . 6803 1 757 . 1 1 64 64 LEU CA C 13 53.857 0.2 . 1 . . . . 64 LEU CA . 6803 1 758 . 1 1 64 64 LEU CB C 13 43.144 0.2 . 1 . . . . 64 LEU CB . 6803 1 759 . 1 1 64 64 LEU CG C 13 31.820 0.2 . 1 . . . . 64 LEU CG . 6803 1 760 . 1 1 64 64 LEU CD1 C 13 22.919 0.2 . 1 . . . . 64 LEU CD1 . 6803 1 761 . 1 1 64 64 LEU CD2 C 13 22.919 0.2 . 1 . . . . 64 LEU CD2 . 6803 1 762 . 1 1 64 64 LEU N N 15 120.875 0.2 . 1 . . . . 64 LEU N . 6803 1 763 . 1 1 65 65 GLY H H 1 7.637 0.02 . 1 . . . . 65 GLY HN . 6803 1 764 . 1 1 65 65 GLY HA2 H 1 4.100 0.02 . 2 . . . . 65 GLY HA1 . 6803 1 765 . 1 1 65 65 GLY HA3 H 1 3.600 0.02 . 2 . . . . 65 GLY HA2 . 6803 1 766 . 1 1 65 65 GLY C C 13 173.391 0.2 . 1 . . . . 65 GLY C . 6803 1 767 . 1 1 65 65 GLY CA C 13 43.540 0.2 . 1 . . . . 65 GLY CA . 6803 1 768 . 1 1 65 65 GLY N N 15 108.710 0.2 . 1 . . . . 65 GLY N . 6803 1 769 . 1 1 66 66 ASN H H 1 8.807 0.02 . 1 . . . . 66 ASN HN . 6803 1 770 . 1 1 66 66 ASN HA H 1 4.230 0.02 . 1 . . . . 66 ASN HA . 6803 1 771 . 1 1 66 66 ASN HB2 H 1 2.608 0.02 . 2 . . . . 66 ASN HB1 . 6803 1 772 . 1 1 66 66 ASN HB3 H 1 2.830 0.02 . 2 . . . . 66 ASN HB2 . 6803 1 773 . 1 1 66 66 ASN HD21 H 1 6.870 0.02 . 2 . . . . 66 ASN HD21 . 6803 1 774 . 1 1 66 66 ASN HD22 H 1 7.604 0.02 . 2 . . . . 66 ASN HD22 . 6803 1 775 . 1 1 66 66 ASN C C 13 175.628 0.2 . 1 . . . . 66 ASN C . 6803 1 776 . 1 1 66 66 ASN CA C 13 54.481 0.2 . 1 . . . . 66 ASN CA . 6803 1 777 . 1 1 66 66 ASN CB C 13 37.466 0.2 . 1 . . . . 66 ASN CB . 6803 1 778 . 1 1 66 66 ASN N N 15 117.330 0.2 . 1 . . . . 66 ASN N . 6803 1 779 . 1 1 66 66 ASN ND2 N 15 113.280 0.2 . 1 . . . . 66 ASN ND2 . 6803 1 780 . 1 1 67 67 ASN H H 1 8.795 0.02 . 1 . . . . 67 ASN HN . 6803 1 781 . 1 1 67 67 ASN HA H 1 4.360 0.02 . 1 . . . . 67 ASN HA . 6803 1 782 . 1 1 67 67 ASN HB2 H 1 3.330 0.02 . 2 . . . . 67 ASN HB1 . 6803 1 783 . 1 1 67 67 ASN HB3 H 1 2.610 0.02 . 2 . . . . 67 ASN HB2 . 6803 1 784 . 1 1 67 67 ASN HD21 H 1 7.680 0.02 . 2 . . . . 67 ASN HD21 . 6803 1 785 . 1 1 67 67 ASN HD22 H 1 7.120 0.02 . 2 . . . . 67 ASN HD22 . 6803 1 786 . 1 1 67 67 ASN C C 13 173.558 0.2 . 1 . . . . 67 ASN C . 6803 1 787 . 1 1 67 67 ASN CA C 13 53.850 0.2 . 1 . . . . 67 ASN CA . 6803 1 788 . 1 1 67 67 ASN CB C 13 38.412 0.2 . 1 . . . . 67 ASN CB . 6803 1 789 . 1 1 67 67 ASN N N 15 116.270 0.2 . 1 . . . . 67 ASN N . 6803 1 790 . 1 1 67 67 ASN ND2 N 15 112.230 0.2 . 1 . . . . 67 ASN ND2 . 6803 1 791 . 1 1 68 68 SER H H 1 7.001 0.02 . 1 . . . . 68 SER HN . 6803 1 792 . 1 1 68 68 SER HA H 1 5.660 0.02 . 1 . . . . 68 SER HA . 6803 1 793 . 1 1 68 68 SER HB2 H 1 3.580 0.02 . 1 . . . . 68 SER HB1 . 6803 1 794 . 1 1 68 68 SER HB3 H 1 3.580 0.02 . 1 . . . . 68 SER HB2 . 6803 1 795 . 1 1 68 68 SER C C 13 173.383 0.2 . 1 . . . . 68 SER C . 6803 1 796 . 1 1 68 68 SER CA C 13 56.669 0.2 . 1 . . . . 68 SER CA . 6803 1 797 . 1 1 68 68 SER CB C 13 65.107 0.2 . 1 . . . . 68 SER CB . 6803 1 798 . 1 1 68 68 SER N N 15 111.179 0.2 . 1 . . . . 68 SER N . 6803 1 799 . 1 1 69 69 TRP H H 1 8.750 0.02 . 1 . . . . 69 TRP HN . 6803 1 800 . 1 1 69 69 TRP HA H 1 5.030 0.02 . 1 . . . . 69 TRP HA . 6803 1 801 . 1 1 69 69 TRP HB2 H 1 2.785 0.02 . 2 . . . . 69 TRP HB1 . 6803 1 802 . 1 1 69 69 TRP HB3 H 1 3.020 0.02 . 2 . . . . 69 TRP HB2 . 6803 1 803 . 1 1 69 69 TRP HD1 H 1 7.160 0.02 . 1 . . . . 69 TRP HD1 . 6803 1 804 . 1 1 69 69 TRP HE1 H 1 10.090 0.02 . 2 . . . . 69 TRP HE1 . 6803 1 805 . 1 1 69 69 TRP HE3 H 1 6.770 0.02 . 3 . . . . 69 TRP HE3 . 6803 1 806 . 1 1 69 69 TRP HZ2 H 1 6.560 0.02 . 3 . . . . 69 TRP HZ2 . 6803 1 807 . 1 1 69 69 TRP HZ3 H 1 7.080 0.02 . 3 . . . . 69 TRP HZ3 . 6803 1 808 . 1 1 69 69 TRP HH2 H 1 7.240 0.02 . 1 . . . . 69 TRP HH2 . 6803 1 809 . 1 1 69 69 TRP C C 13 174.334 0.2 . 1 . . . . 69 TRP C . 6803 1 810 . 1 1 69 69 TRP CA C 13 57.138 0.2 . 1 . . . . 69 TRP CA . 6803 1 811 . 1 1 69 69 TRP CB C 13 34.232 0.2 . 1 . . . . 69 TRP CB . 6803 1 812 . 1 1 69 69 TRP N N 15 125.173 0.2 . 1 . . . . 69 TRP N . 6803 1 813 . 1 1 69 69 TRP NE1 N 15 128.380 0.2 . 1 . . . . 69 TRP NE1 . 6803 1 814 . 1 1 70 70 THR H H 1 9.134 0.02 . 1 . . . . 70 THR HN . 6803 1 815 . 1 1 70 70 THR HA H 1 5.140 0.02 . 1 . . . . 70 THR HA . 6803 1 816 . 1 1 70 70 THR HB H 1 4.124 0.02 . 1 . . . . 70 THR HB . 6803 1 817 . 1 1 70 70 THR HG21 H 1 1.150 0.02 . 1 . . . . 70 THR HG2 . 6803 1 818 . 1 1 70 70 THR HG22 H 1 1.150 0.02 . 1 . . . . 70 THR HG2 . 6803 1 819 . 1 1 70 70 THR HG23 H 1 1.150 0.02 . 1 . . . . 70 THR HG2 . 6803 1 820 . 1 1 70 70 THR CA C 13 59.013 0.2 . 1 . . . . 70 THR CA . 6803 1 821 . 1 1 70 70 THR CB C 13 70.731 0.2 . 1 . . . . 70 THR CB . 6803 1 822 . 1 1 70 70 THR CG2 C 13 19.638 0.2 . 1 . . . . 70 THR CG2 . 6803 1 823 . 1 1 70 70 THR N N 15 116.470 0.2 . 1 . . . . 70 THR N . 6803 1 824 . 1 1 70 70 THR C C 13 171.744 0.2 . 1 . . . . 71 LEU C . 6803 1 825 . 1 1 71 71 LEU H H 1 7.959 0.02 . 1 . . . . 71 LEU HN . 6803 1 826 . 1 1 71 71 LEU HA H 1 5.440 0.02 . 1 . . . . 71 LEU HA . 6803 1 827 . 1 1 71 71 LEU HB2 H 1 1.368 0.02 . 2 . . . . 71 LEU HB1 . 6803 1 828 . 1 1 71 71 LEU HB3 H 1 1.650 0.02 . 2 . . . . 71 LEU HB2 . 6803 1 829 . 1 1 71 71 LEU HG H 1 1.491 0.02 . 1 . . . . 71 LEU HG . 6803 1 830 . 1 1 71 71 LEU HD11 H 1 0.810 0.02 . 4 . . . . 71 LEU HD1 . 6803 1 831 . 1 1 71 71 LEU HD12 H 1 0.810 0.02 . 4 . . . . 71 LEU HD1 . 6803 1 832 . 1 1 71 71 LEU HD13 H 1 0.810 0.02 . 4 . . . . 71 LEU HD1 . 6803 1 833 . 1 1 71 71 LEU HD21 H 1 0.770 0.02 . 4 . . . . 71 LEU HD2 . 6803 1 834 . 1 1 71 71 LEU HD22 H 1 0.770 0.02 . 4 . . . . 71 LEU HD2 . 6803 1 835 . 1 1 71 71 LEU HD23 H 1 0.770 0.02 . 4 . . . . 71 LEU HD2 . 6803 1 836 . 1 1 71 71 LEU C C 13 175.294 0.2 . 1 . . . . 71 LEU C . 6803 1 837 . 1 1 71 71 LEU CA C 13 53.060 0.2 . 1 . . . . 71 LEU CA . 6803 1 838 . 1 1 71 71 LEU CB C 13 45.770 0.2 . 1 . . . . 71 LEU CB . 6803 1 839 . 1 1 71 71 LEU CG C 13 26.100 0.2 . 1 . . . . 71 LEU CG . 6803 1 840 . 1 1 71 71 LEU CD1 C 13 25.263 0.2 . 1 . . . . 71 LEU CD1 . 6803 1 841 . 1 1 71 71 LEU CD2 C 13 25.263 0.2 . 1 . . . . 71 LEU CD2 . 6803 1 842 . 1 1 71 71 LEU N N 15 120.556 0.2 . 1 . . . . 71 LEU N . 6803 1 843 . 1 1 72 72 GLU H H 1 8.930 0.02 . 1 . . . . 72 GLU HN . 6803 1 844 . 1 1 72 72 GLU HA H 1 4.970 0.02 . 1 . . . . 72 GLU HA . 6803 1 845 . 1 1 72 72 GLU HB2 H 1 2.244 0.02 . 2 . . . . 72 GLU HB1 . 6803 1 846 . 1 1 72 72 GLU HB3 H 1 1.850 0.02 . 2 . . . . 72 GLU HB2 . 6803 1 847 . 1 1 72 72 GLU HG2 H 1 2.100 0.02 . 1 . . . . 72 GLU HG1 . 6803 1 848 . 1 1 72 72 GLU HG3 H 1 2.100 0.02 . 1 . . . . 72 GLU HG2 . 6803 1 849 . 1 1 72 72 GLU C C 13 172.305 0.2 . 1 . . . . 72 GLU C . 6803 1 850 . 1 1 72 72 GLU CA C 13 53.010 0.2 . 1 . . . . 72 GLU CA . 6803 1 851 . 1 1 72 72 GLU CB C 13 31.560 0.2 . 1 . . . . 72 GLU CB . 6803 1 852 . 1 1 72 72 GLU CG C 13 35.340 0.2 . 1 . . . . 72 GLU CG . 6803 1 853 . 1 1 72 72 GLU N N 15 118.799 0.2 . 1 . . . . 72 GLU N . 6803 1 854 . 1 1 73 73 PRO HA H 1 4.580 0.02 . 1 . . . . 73 PRO HA . 6803 1 855 . 1 1 73 73 PRO HB2 H 1 1.860 0.02 . 2 . . . . 73 PRO HB1 . 6803 1 856 . 1 1 73 73 PRO HB3 H 1 2.330 0.02 . 2 . . . . 73 PRO HB2 . 6803 1 857 . 1 1 73 73 PRO HG2 H 1 1.970 0.02 . 2 . . . . 73 PRO HG1 . 6803 1 858 . 1 1 73 73 PRO HG3 H 1 2.140 0.02 . 2 . . . . 73 PRO HG2 . 6803 1 859 . 1 1 73 73 PRO HD2 H 1 3.690 0.02 . 2 . . . . 73 PRO HD1 . 6803 1 860 . 1 1 73 73 PRO HD3 H 1 3.580 0.02 . 2 . . . . 73 PRO HD2 . 6803 1 861 . 1 1 73 73 PRO C C 13 176.155 0.2 . 1 . . . . 73 PRO C . 6803 1 862 . 1 1 73 73 PRO CA C 13 63.232 0.2 . 1 . . . . 73 PRO CA . 6803 1 863 . 1 1 73 73 PRO CB C 13 31.944 0.2 . 1 . . . . 73 PRO CB . 6803 1 864 . 1 1 73 73 PRO CG C 13 27.670 0.2 . 1 . . . . 73 PRO CG . 6803 1 865 . 1 1 73 73 PRO CD C 13 50.661 0.2 . 1 . . . . 73 PRO CD . 6803 1 866 . 1 1 74 74 ALA H H 1 8.407 0.02 . 1 . . . . 74 ALA HN . 6803 1 867 . 1 1 74 74 ALA HA H 1 4.350 0.02 . 1 . . . . 74 ALA HA . 6803 1 868 . 1 1 74 74 ALA HB1 H 1 1.139 0.02 . 1 . . . . 74 ALA HB . 6803 1 869 . 1 1 74 74 ALA HB2 H 1 1.139 0.02 . 1 . . . . 74 ALA HB . 6803 1 870 . 1 1 74 74 ALA HB3 H 1 1.139 0.02 . 1 . . . . 74 ALA HB . 6803 1 871 . 1 1 74 74 ALA C C 13 175.498 0.2 . 1 . . . . 74 ALA C . 6803 1 872 . 1 1 74 74 ALA CA C 13 50.265 0.2 . 1 . . . . 74 ALA CA . 6803 1 873 . 1 1 74 74 ALA CB C 13 17.763 0.2 . 1 . . . . 74 ALA CB . 6803 1 874 . 1 1 74 74 ALA N N 15 126.297 0.2 . 1 . . . . 74 ALA N . 6803 1 875 . 1 1 75 75 PRO HA H 1 4.090 0.02 . 1 . . . . 75 PRO HA . 6803 1 876 . 1 1 75 75 PRO HB2 H 1 1.990 0.02 . 1 . . . . 75 PRO HB1 . 6803 1 877 . 1 1 75 75 PRO HB3 H 1 1.990 0.02 . 1 . . . . 75 PRO HB2 . 6803 1 878 . 1 1 75 75 PRO HG2 H 1 2.290 0.02 . 2 . . . . 75 PRO HG1 . 6803 1 879 . 1 1 75 75 PRO HG3 H 1 1.970 0.02 . 2 . . . . 75 PRO HG2 . 6803 1 880 . 1 1 75 75 PRO HD2 H 1 3.530 0.02 . 2 . . . . 75 PRO HD1 . 6803 1 881 . 1 1 75 75 PRO HD3 H 1 3.710 0.02 . 2 . . . . 75 PRO HD2 . 6803 1 882 . 1 1 75 75 PRO C C 13 176.213 0.2 . 1 . . . . 75 PRO C . 6803 1 883 . 1 1 75 75 PRO CA C 13 61.825 0.2 . 1 . . . . 75 PRO CA . 6803 1 884 . 1 1 75 75 PRO CB C 13 32.284 0.2 . 1 . . . . 75 PRO CB . 6803 1 885 . 1 1 75 75 PRO CG C 13 27.130 0.2 . 1 . . . . 75 PRO CG . 6803 1 886 . 1 1 75 75 PRO CD C 13 50.700 0.2 . 1 . . . . 75 PRO CD . 6803 1 887 . 1 1 76 76 ALA H H 1 8.250 0.02 . 1 . . . . 76 ALA HN . 6803 1 888 . 1 1 76 76 ALA HA H 1 4.540 0.02 . 1 . . . . 76 ALA HA . 6803 1 889 . 1 1 76 76 ALA HB1 H 1 1.320 0.02 . 1 . . . . 76 ALA HB . 6803 1 890 . 1 1 76 76 ALA HB2 H 1 1.320 0.02 . 1 . . . . 76 ALA HB . 6803 1 891 . 1 1 76 76 ALA HB3 H 1 1.320 0.02 . 1 . . . . 76 ALA HB . 6803 1 892 . 1 1 76 76 ALA C C 13 177.901 0.2 . 1 . . . . 76 ALA C . 6803 1 893 . 1 1 76 76 ALA CA C 13 50.140 0.2 . 1 . . . . 76 ALA CA . 6803 1 894 . 1 1 76 76 ALA CB C 13 18.232 0.2 . 1 . . . . 76 ALA CB . 6803 1 895 . 1 1 76 76 ALA N N 15 124.320 0.2 . 1 . . . . 76 ALA N . 6803 1 896 . 1 1 77 77 PRO HA H 1 4.360 0.02 . 1 . . . . 77 PRO HA . 6803 1 897 . 1 1 77 77 PRO HB2 H 1 1.872 0.02 . 2 . . . . 77 PRO HB1 . 6803 1 898 . 1 1 77 77 PRO HB3 H 1 2.255 0.02 . 2 . . . . 77 PRO HB2 . 6803 1 899 . 1 1 77 77 PRO HG2 H 1 1.990 0.02 . 1 . . . . 77 PRO HG1 . 6803 1 900 . 1 1 77 77 PRO HG3 H 1 1.990 0.02 . 1 . . . . 77 PRO HG2 . 6803 1 901 . 1 1 77 77 PRO HD2 H 1 3.600 0.02 . 2 . . . . 77 PRO HD1 . 6803 1 902 . 1 1 77 77 PRO HD3 H 1 3.770 0.02 . 2 . . . . 77 PRO HD2 . 6803 1 903 . 1 1 77 77 PRO C C 13 176.775 0.2 . 1 . . . . 77 PRO C . 6803 1 904 . 1 1 77 77 PRO CA C 13 62.294 0.2 . 1 . . . . 77 PRO CA . 6803 1 905 . 1 1 77 77 PRO CB C 13 32.290 0.2 . 1 . . . . 77 PRO CB . 6803 1 906 . 1 1 77 77 PRO CG C 13 27.130 0.2 . 1 . . . . 77 PRO CG . 6803 1 907 . 1 1 77 77 PRO CD C 13 49.580 0.2 . 1 . . . . 77 PRO CD . 6803 1 908 . 1 1 78 78 LYS H H 1 8.447 0.02 . 1 . . . . 78 LYS HN . 6803 1 909 . 1 1 78 78 LYS HA H 1 4.270 0.02 . 1 . . . . 78 LYS HA . 6803 1 910 . 1 1 78 78 LYS HB2 H 1 1.790 0.02 . 2 . . . . 78 LYS HB1 . 6803 1 911 . 1 1 78 78 LYS HB3 H 1 1.740 0.02 . 2 . . . . 78 LYS HB2 . 6803 1 912 . 1 1 78 78 LYS HG2 H 1 1.450 0.02 . 1 . . . . 78 LYS HG1 . 6803 1 913 . 1 1 78 78 LYS HG3 H 1 1.450 0.02 . 1 . . . . 78 LYS HG2 . 6803 1 914 . 1 1 78 78 LYS HD2 H 1 1.690 0.02 . 1 . . . . 78 LYS HD1 . 6803 1 915 . 1 1 78 78 LYS HD3 H 1 1.690 0.02 . 1 . . . . 78 LYS HD2 . 6803 1 916 . 1 1 78 78 LYS HE2 H 1 2.950 0.02 . 2 . . . . 78 LYS HE1 . 6803 1 917 . 1 1 78 78 LYS HE3 H 1 2.410 0.02 . 2 . . . . 78 LYS HE2 . 6803 1 918 . 1 1 78 78 LYS C C 13 176.692 0.2 . 1 . . . . 78 LYS C . 6803 1 919 . 1 1 78 78 LYS CA C 13 56.200 0.2 . 1 . . . . 78 LYS CA . 6803 1 920 . 1 1 78 78 LYS CB C 13 32.760 0.2 . 1 . . . . 78 LYS CB . 6803 1 921 . 1 1 78 78 LYS CG C 13 25.263 0.2 . 1 . . . . 78 LYS CG . 6803 1 922 . 1 1 78 78 LYS CD C 13 29.107 0.2 . 1 . . . . 78 LYS CD . 6803 1 923 . 1 1 78 78 LYS CE C 13 41.160 0.2 . 1 . . . . 78 LYS CE . 6803 1 924 . 1 1 78 78 LYS N N 15 122.070 0.2 . 1 . . . . 78 LYS N . 6803 1 925 . 1 1 79 79 GLU H H 1 8.557 0.02 . 1 . . . . 79 GLU HN . 6803 1 926 . 1 1 79 79 GLU HA H 1 4.259 0.02 . 1 . . . . 79 GLU HA . 6803 1 927 . 1 1 79 79 GLU HB2 H 1 2.020 0.02 . 2 . . . . 79 GLU HB1 . 6803 1 928 . 1 1 79 79 GLU HB3 H 1 1.903 0.02 . 2 . . . . 79 GLU HB2 . 6803 1 929 . 1 1 79 79 GLU HG2 H 1 2.235 0.02 . 1 . . . . 79 GLU HG1 . 6803 1 930 . 1 1 79 79 GLU HG3 H 1 2.235 0.02 . 1 . . . . 79 GLU HG2 . 6803 1 931 . 1 1 79 79 GLU C C 13 176.111 0.2 . 1 . . . . 79 GLU C . 6803 1 932 . 1 1 79 79 GLU CA C 13 56.200 0.2 . 1 . . . . 79 GLU CA . 6803 1 933 . 1 1 79 79 GLU CB C 13 30.419 0.2 . 1 . . . . 79 GLU CB . 6803 1 934 . 1 1 79 79 GLU CG C 13 36.400 0.2 . 1 . . . . 79 GLU CG . 6803 1 935 . 1 1 79 79 GLU N N 15 122.500 0.2 . 1 . . . . 79 GLU N . 6803 1 936 . 1 1 80 80 ASP H H 1 8.390 0.02 . 1 . . . . 80 ASP HN . 6803 1 937 . 1 1 80 80 ASP HA H 1 4.539 0.02 . 1 . . . . 80 ASP HA . 6803 1 938 . 1 1 80 80 ASP HB2 H 1 2.620 0.02 . 1 . . . . 80 ASP HB1 . 6803 1 939 . 1 1 80 80 ASP HB3 H 1 2.620 0.02 . 1 . . . . 80 ASP HB2 . 6803 1 940 . 1 1 80 80 ASP C C 13 175.614 0.2 . 1 . . . . 80 ASP C . 6803 1 941 . 1 1 80 80 ASP CA C 13 54.650 0.2 . 1 . . . . 80 ASP CA . 6803 1 942 . 1 1 80 80 ASP CB C 13 41.182 0.2 . 1 . . . . 80 ASP CB . 6803 1 943 . 1 1 80 80 ASP N N 15 121.760 0.2 . 1 . . . . 80 ASP N . 6803 1 944 . 1 1 81 81 ALA H H 1 8.290 0.02 . 1 . . . . 81 ALA HN . 6803 1 945 . 1 1 81 81 ALA HA H 1 4.240 0.02 . 1 . . . . 81 ALA HA . 6803 1 946 . 1 1 81 81 ALA HB1 H 1 1.350 0.02 . 1 . . . . 81 ALA HB . 6803 1 947 . 1 1 81 81 ALA HB2 H 1 1.350 0.02 . 1 . . . . 81 ALA HB . 6803 1 948 . 1 1 81 81 ALA HB3 H 1 1.350 0.02 . 1 . . . . 81 ALA HB . 6803 1 949 . 1 1 81 81 ALA C C 13 176.469 0.2 . 1 . . . . 81 ALA C . 6803 1 950 . 1 1 81 81 ALA CA C 13 52.450 0.2 . 1 . . . . 81 ALA CA . 6803 1 951 . 1 1 81 81 ALA CB C 13 19.169 0.2 . 1 . . . . 81 ALA CB . 6803 1 952 . 1 1 81 81 ALA N N 15 124.570 0.2 . 1 . . . . 81 ALA N . 6803 1 953 . 1 1 82 82 LEU H H 1 7.837 0.02 . 1 . . . . 82 LEU HN . 6803 1 954 . 1 1 82 82 LEU HA H 1 4.340 0.02 . 1 . . . . 82 LEU HA . 6803 1 955 . 1 1 82 82 LEU HB2 H 1 1.630 0.02 . 2 . . . . 82 LEU HB1 . 6803 1 956 . 1 1 82 82 LEU HB3 H 1 1.565 0.02 . 2 . . . . 82 LEU HB2 . 6803 1 957 . 1 1 82 82 LEU HG H 1 0.980 0.02 . 1 . . . . 82 LEU HG . 6803 1 958 . 1 1 82 82 LEU HD11 H 1 0.840 0.02 . 4 . . . . 82 LEU HD1 . 6803 1 959 . 1 1 82 82 LEU HD12 H 1 0.840 0.02 . 4 . . . . 82 LEU HD1 . 6803 1 960 . 1 1 82 82 LEU HD13 H 1 0.840 0.02 . 4 . . . . 82 LEU HD1 . 6803 1 961 . 1 1 82 82 LEU HD21 H 1 0.840 0.02 . 4 . . . . 82 LEU HD2 . 6803 1 962 . 1 1 82 82 LEU HD22 H 1 0.840 0.02 . 4 . . . . 82 LEU HD2 . 6803 1 963 . 1 1 82 82 LEU HD23 H 1 0.840 0.02 . 4 . . . . 82 LEU HD2 . 6803 1 964 . 1 1 82 82 LEU CA C 13 55.296 0.2 . 1 . . . . 82 LEU CA . 6803 1 965 . 1 1 82 82 LEU CB C 13 42.041 0.2 . 1 . . . . 82 LEU CB . 6803 1 966 . 1 1 82 82 LEU CG C 13 27.070 0.2 . 1 . . . . 82 LEU CG . 6803 1 967 . 1 1 82 82 LEU CD1 C 13 23.388 0.2 . 2 . . . . 82 LEU CD1 . 6803 1 968 . 1 1 82 82 LEU CD2 C 13 23.388 0.2 . 2 . . . . 82 LEU CD2 . 6803 1 969 . 1 1 82 82 LEU N N 15 127.273 0.2 . 1 . . . . 82 LEU N . 6803 1 970 . 1 1 83 83 THR H H 1 8.084 0.02 . 1 . . . . 83 THR HN . 6803 1 971 . 1 1 83 83 THR HA H 1 4.290 0.02 . 1 . . . . 83 THR HA . 6803 1 972 . 1 1 83 83 THR HB H 1 4.180 0.02 . 1 . . . . 83 THR HB . 6803 1 973 . 1 1 83 83 THR HG21 H 1 1.160 0.02 . 1 . . . . 83 THR HG2 . 6803 1 974 . 1 1 83 83 THR HG22 H 1 1.160 0.02 . 1 . . . . 83 THR HG2 . 6803 1 975 . 1 1 83 83 THR HG23 H 1 1.160 0.02 . 1 . . . . 83 THR HG2 . 6803 1 976 . 1 1 83 83 THR CA C 13 61.825 0.2 . 1 . . . . 83 THR CA . 6803 1 977 . 1 1 83 83 THR CB C 13 69.794 0.2 . 1 . . . . 83 THR CB . 6803 1 978 . 1 1 83 83 THR CG2 C 13 21.513 0.2 . 1 . . . . 83 THR CG2 . 6803 1 979 . 1 1 83 83 THR N N 15 115.634 0.2 . 1 . . . . 83 THR N . 6803 1 980 . 1 1 84 84 VAL H H 1 8.170 0.02 . 1 . . . . 84 VAL HN . 6803 1 981 . 1 1 84 84 VAL HA H 1 4.120 0.02 . 1 . . . . 84 VAL HA . 6803 1 982 . 1 1 84 84 VAL HB H 1 2.010 0.02 . 1 . . . . 84 VAL HB . 6803 1 983 . 1 1 84 84 VAL HG11 H 1 0.870 0.02 . 4 . . . . 84 VAL HG1 . 6803 1 984 . 1 1 84 84 VAL HG12 H 1 0.870 0.02 . 4 . . . . 84 VAL HG1 . 6803 1 985 . 1 1 84 84 VAL HG13 H 1 0.870 0.02 . 4 . . . . 84 VAL HG1 . 6803 1 986 . 1 1 84 84 VAL HG21 H 1 0.870 0.02 . 4 . . . . 84 VAL HG2 . 6803 1 987 . 1 1 84 84 VAL HG22 H 1 0.870 0.02 . 4 . . . . 84 VAL HG2 . 6803 1 988 . 1 1 84 84 VAL HG23 H 1 0.870 0.02 . 4 . . . . 84 VAL HG2 . 6803 1 989 . 1 1 84 84 VAL C C 13 175.775 0.2 . 1 . . . . 84 VAL C . 6803 1 990 . 1 1 84 84 VAL CA C 13 61.825 0.2 . 1 . . . . 84 VAL CA . 6803 1 991 . 1 1 84 84 VAL CB C 13 32.870 0.2 . 1 . . . . 84 VAL CB . 6803 1 992 . 1 1 84 84 VAL CG1 C 13 21.044 0.2 . 1 . . . . 84 VAL CG1 . 6803 1 993 . 1 1 84 84 VAL CG2 C 13 21.044 0.2 . 1 . . . . 84 VAL CG2 . 6803 1 994 . 1 1 84 84 VAL N N 15 123.484 0.2 . 1 . . . . 84 VAL N . 6803 1 995 . 1 1 85 85 VAL H H 1 8.380 0.02 . 1 . . . . 85 VAL HN . 6803 1 996 . 1 1 85 85 VAL HA H 1 4.070 0.02 . 1 . . . . 85 VAL HA . 6803 1 997 . 1 1 85 85 VAL HB H 1 1.960 0.02 . 1 . . . . 85 VAL HB . 6803 1 998 . 1 1 85 85 VAL HG11 H 1 0.870 0.02 . 4 . . . . 85 VAL HG1 . 6803 1 999 . 1 1 85 85 VAL HG12 H 1 0.870 0.02 . 4 . . . . 85 VAL HG1 . 6803 1 1000 . 1 1 85 85 VAL HG13 H 1 0.870 0.02 . 4 . . . . 85 VAL HG1 . 6803 1 1001 . 1 1 85 85 VAL HG21 H 1 0.870 0.02 . 4 . . . . 85 VAL HG2 . 6803 1 1002 . 1 1 85 85 VAL HG22 H 1 0.870 0.02 . 4 . . . . 85 VAL HG2 . 6803 1 1003 . 1 1 85 85 VAL HG23 H 1 0.870 0.02 . 4 . . . . 85 VAL HG2 . 6803 1 1004 . 1 1 85 85 VAL C C 13 176.415 0.2 . 1 . . . . 85 VAL C . 6803 1 1005 . 1 1 85 85 VAL CA C 13 62.763 0.2 . 1 . . . . 85 VAL CA . 6803 1 1006 . 1 1 85 85 VAL CB C 13 32.418 0.2 . 1 . . . . 85 VAL CB . 6803 1 1007 . 1 1 85 85 VAL CG1 C 13 21.044 0.2 . 1 . . . . 85 VAL CG1 . 6803 1 1008 . 1 1 85 85 VAL CG2 C 13 21.044 0.2 . 1 . . . . 85 VAL CG2 . 6803 1 1009 . 1 1 85 85 VAL N N 15 125.940 0.2 . 1 . . . . 85 VAL N . 6803 1 1010 . 1 1 86 86 GLY H H 1 8.270 0.02 . 1 . . . . 86 GLY HN . 6803 1 1011 . 1 1 86 86 GLY HA2 H 1 3.750 0.02 . 1 . . . . 86 GLY HA1 . 6803 1 1012 . 1 1 86 86 GLY HA3 H 1 3.750 0.02 . 1 . . . . 86 GLY HA2 . 6803 1 1013 . 1 1 86 86 GLY C C 13 173.700 0.2 . 1 . . . . 86 GLY C . 6803 1 1014 . 1 1 86 86 GLY CA C 13 45.261 0.2 . 1 . . . . 86 GLY CA . 6803 1 1015 . 1 1 86 86 GLY N N 15 112.220 0.2 . 1 . . . . 86 GLY N . 6803 1 1016 . 1 1 87 87 ASP H H 1 8.180 0.02 . 1 . . . . 87 ASP HN . 6803 1 1017 . 1 1 87 87 ASP HA H 1 4.540 0.02 . 1 . . . . 87 ASP HA . 6803 1 1018 . 1 1 87 87 ASP HB2 H 1 2.590 0.02 . 1 . . . . 87 ASP HB1 . 6803 1 1019 . 1 1 87 87 ASP HB3 H 1 2.590 0.02 . 1 . . . . 87 ASP HB2 . 6803 1 1020 . 1 1 87 87 ASP C C 13 175.995 0.2 . 1 . . . . 87 ASP C . 6803 1 1021 . 1 1 87 87 ASP CA C 13 54.345 0.2 . 1 . . . . 87 ASP CA . 6803 1 1022 . 1 1 87 87 ASP CB C 13 41.390 0.2 . 1 . . . . 87 ASP CB . 6803 1 1023 . 1 1 87 87 ASP N N 15 120.490 0.2 . 1 . . . . 87 ASP N . 6803 1 1024 . 1 1 88 88 TRP H H 1 8.102 0.02 . 1 . . . . 88 TRP HN . 6803 1 1025 . 1 1 88 88 TRP HA H 1 4.630 0.02 . 1 . . . . 88 TRP HA . 6803 1 1026 . 1 1 88 88 TRP HB2 H 1 3.230 0.02 . 1 . . . . 88 TRP HB1 . 6803 1 1027 . 1 1 88 88 TRP HB3 H 1 3.230 0.02 . 1 . . . . 88 TRP HB2 . 6803 1 1028 . 1 1 88 88 TRP HD1 H 1 7.170 0.02 . 1 . . . . 88 TRP HD1 . 6803 1 1029 . 1 1 88 88 TRP HE1 H 1 10.159 0.02 . 2 . . . . 88 TRP HE1 . 6803 1 1030 . 1 1 88 88 TRP HE3 H 1 7.560 0.02 . 3 . . . . 88 TRP HE3 . 6803 1 1031 . 1 1 88 88 TRP HZ2 H 1 7.390 0.02 . 3 . . . . 88 TRP HZ2 . 6803 1 1032 . 1 1 88 88 TRP HZ3 H 1 7.010 0.02 . 3 . . . . 88 TRP HZ3 . 6803 1 1033 . 1 1 88 88 TRP HH2 H 1 7.730 0.02 . 1 . . . . 88 TRP HH2 . 6803 1 1034 . 1 1 88 88 TRP C C 13 176.193 0.2 . 1 . . . . 88 TRP C . 6803 1 1035 . 1 1 88 88 TRP CA C 13 57.607 0.2 . 1 . . . . 88 TRP CA . 6803 1 1036 . 1 1 88 88 TRP CB C 13 29.380 0.2 . 1 . . . . 88 TRP CB . 6803 1 1037 . 1 1 88 88 TRP N N 15 121.284 0.2 . 1 . . . . 88 TRP N . 6803 1 1038 . 1 1 88 88 TRP NE1 N 15 129.822 0.2 . 1 . . . . 88 TRP NE1 . 6803 1 1039 . 1 1 89 89 LEU H H 1 8.024 0.02 . 1 . . . . 89 LEU HN . 6803 1 1040 . 1 1 89 89 LEU HA H 1 4.180 0.02 . 1 . . . . 89 LEU HA . 6803 1 1041 . 1 1 89 89 LEU HB2 H 1 1.430 0.02 . 1 . . . . 89 LEU HB1 . 6803 1 1042 . 1 1 89 89 LEU HB3 H 1 1.430 0.02 . 1 . . . . 89 LEU HB2 . 6803 1 1043 . 1 1 89 89 LEU HG H 1 1.740 0.02 . 1 . . . . 89 LEU HG . 6803 1 1044 . 1 1 89 89 LEU HD11 H 1 0.750 0.02 . 4 . . . . 89 LEU HD1 . 6803 1 1045 . 1 1 89 89 LEU HD12 H 1 0.750 0.02 . 4 . . . . 89 LEU HD1 . 6803 1 1046 . 1 1 89 89 LEU HD13 H 1 0.750 0.02 . 4 . . . . 89 LEU HD1 . 6803 1 1047 . 1 1 89 89 LEU HD21 H 1 0.759 0.02 . 4 . . . . 89 LEU HD2 . 6803 1 1048 . 1 1 89 89 LEU HD22 H 1 0.759 0.02 . 4 . . . . 89 LEU HD2 . 6803 1 1049 . 1 1 89 89 LEU HD23 H 1 0.759 0.02 . 4 . . . . 89 LEU HD2 . 6803 1 1050 . 1 1 89 89 LEU C C 13 177.480 0.2 . 1 . . . . 89 LEU C . 6803 1 1051 . 1 1 89 89 LEU CA C 13 55.134 0.2 . 1 . . . . 89 LEU CA . 6803 1 1052 . 1 1 89 89 LEU CB C 13 41.700 0.2 . 1 . . . . 89 LEU CB . 6803 1 1053 . 1 1 89 89 LEU CG C 13 26.656 0.2 . 1 . . . . 89 LEU CG . 6803 1 1054 . 1 1 89 89 LEU CD1 C 13 24.794 0.2 . 1 . . . . 89 LEU CD1 . 6803 1 1055 . 1 1 89 89 LEU CD2 C 13 24.794 0.2 . 1 . . . . 89 LEU CD2 . 6803 1 1056 . 1 1 89 89 LEU N N 15 124.125 0.2 . 1 . . . . 89 LEU N . 6803 1 1057 . 1 1 90 90 GLY H H 1 7.515 0.02 . 1 . . . . 90 GLY HN . 6803 1 1058 . 1 1 90 90 GLY HA2 H 1 3.710 0.02 . 2 . . . . 90 GLY HA1 . 6803 1 1059 . 1 1 90 90 GLY HA3 H 1 3.650 0.02 . 2 . . . . 90 GLY HA2 . 6803 1 1060 . 1 1 90 90 GLY C C 13 173.646 0.2 . 1 . . . . 90 GLY C . 6803 1 1061 . 1 1 90 90 GLY CA C 13 45.117 0.2 . 1 . . . . 90 GLY CA . 6803 1 1062 . 1 1 90 90 GLY N N 15 108.120 0.2 . 1 . . . . 90 GLY N . 6803 1 1063 . 1 1 91 91 ASP H H 1 8.220 0.02 . 1 . . . . 91 ASP HN . 6803 1 1064 . 1 1 91 91 ASP HA H 1 4.551 0.02 . 1 . . . . 91 ASP HA . 6803 1 1065 . 1 1 91 91 ASP HB2 H 1 2.580 0.02 . 1 . . . . 91 ASP HB1 . 6803 1 1066 . 1 1 91 91 ASP HB3 H 1 2.580 0.02 . 1 . . . . 91 ASP HB2 . 6803 1 1067 . 1 1 91 91 ASP CA C 13 54.364 0.2 . 1 . . . . 91 ASP CA . 6803 1 1068 . 1 1 91 91 ASP CB C 13 41.156 0.2 . 1 . . . . 91 ASP CB . 6803 1 1069 . 1 1 91 91 ASP N N 15 120.490 0.2 . 1 . . . . 91 ASP N . 6803 1 1070 . 1 1 92 92 ALA H H 1 8.210 0.02 . 1 . . . . 92 ALA HN . 6803 1 1071 . 1 1 92 92 ALA HA H 1 4.231 0.02 . 1 . . . . 92 ALA HA . 6803 1 1072 . 1 1 92 92 ALA HB1 H 1 1.355 0.02 . 1 . . . . 92 ALA HB . 6803 1 1073 . 1 1 92 92 ALA HB2 H 1 1.355 0.02 . 1 . . . . 92 ALA HB . 6803 1 1074 . 1 1 92 92 ALA HB3 H 1 1.355 0.02 . 1 . . . . 92 ALA HB . 6803 1 1075 . 1 1 92 92 ALA C C 13 177.877 0.2 . 1 . . . . 92 ALA C . 6803 1 1076 . 1 1 92 92 ALA CA C 13 52.847 0.2 . 1 . . . . 92 ALA CA . 6803 1 1077 . 1 1 92 92 ALA CB C 13 18.701 0.2 . 1 . . . . 92 ALA CB . 6803 1 1078 . 1 1 92 92 ALA N N 15 124.000 0.2 . 1 . . . . 92 ALA N . 6803 1 1079 . 1 1 93 93 ARG H H 1 8.280 0.02 . 1 . . . . 93 ARG HN . 6803 1 1080 . 1 1 93 93 ARG HA H 1 4.202 0.02 . 1 . . . . 93 ARG HA . 6803 1 1081 . 1 1 93 93 ARG HB2 H 1 1.803 0.02 . 2 . . . . 93 ARG HB1 . 6803 1 1082 . 1 1 93 93 ARG HB3 H 1 1.720 0.02 . 2 . . . . 93 ARG HB2 . 6803 1 1083 . 1 1 93 93 ARG HG2 H 1 1.550 0.02 . 1 . . . . 93 ARG HG1 . 6803 1 1084 . 1 1 93 93 ARG HG3 H 1 1.550 0.02 . 1 . . . . 93 ARG HG2 . 6803 1 1085 . 1 1 93 93 ARG HD2 H 1 3.110 0.02 . 1 . . . . 93 ARG HD1 . 6803 1 1086 . 1 1 93 93 ARG HD3 H 1 3.110 0.02 . 1 . . . . 93 ARG HD2 . 6803 1 1087 . 1 1 93 93 ARG C C 13 176.739 0.2 . 1 . . . . 93 ARG C . 6803 1 1088 . 1 1 93 93 ARG CA C 13 56.200 0.2 . 1 . . . . 93 ARG CA . 6803 1 1089 . 1 1 93 93 ARG CB C 13 30.367 0.2 . 1 . . . . 93 ARG CB . 6803 1 1090 . 1 1 93 93 ARG CG C 13 26.850 0.2 . 1 . . . . 93 ARG CG . 6803 1 1091 . 1 1 93 93 ARG CD C 13 43.388 0.2 . 1 . . . . 93 ARG CD . 6803 1 1092 . 1 1 93 93 ARG N N 15 119.282 0.2 . 1 . . . . 93 ARG N . 6803 1 1093 . 1 1 94 94 GLU H H 1 8.330 0.02 . 1 . . . . 94 GLU HN . 6803 1 1094 . 1 1 94 94 GLU HA H 1 4.150 0.02 . 1 . . . . 94 GLU HA . 6803 1 1095 . 1 1 94 94 GLU HB2 H 1 2.009 0.02 . 2 . . . . 94 GLU HB1 . 6803 1 1096 . 1 1 94 94 GLU HB3 H 1 1.931 0.02 . 2 . . . . 94 GLU HB2 . 6803 1 1097 . 1 1 94 94 GLU HG2 H 1 2.220 0.02 . 1 . . . . 94 GLU HG1 . 6803 1 1098 . 1 1 94 94 GLU HG3 H 1 2.220 0.02 . 1 . . . . 94 GLU HG2 . 6803 1 1099 . 1 1 94 94 GLU C C 13 176.389 0.2 . 1 . . . . 94 GLU C . 6803 1 1100 . 1 1 94 94 GLU CA C 13 57.138 0.2 . 1 . . . . 94 GLU CA . 6803 1 1101 . 1 1 94 94 GLU CB C 13 30.270 0.2 . 1 . . . . 94 GLU CB . 6803 1 1102 . 1 1 94 94 GLU CG C 13 36.510 0.2 . 1 . . . . 94 GLU CG . 6803 1 1103 . 1 1 94 94 GLU N N 15 120.370 0.2 . 1 . . . . 94 GLU N . 6803 1 1104 . 1 1 95 95 ASN H H 1 8.337 0.02 . 1 . . . . 95 ASN HN . 6803 1 1105 . 1 1 95 95 ASN HA H 1 4.619 0.02 . 1 . . . . 95 ASN HA . 6803 1 1106 . 1 1 95 95 ASN HB2 H 1 2.780 0.02 . 2 . . . . 95 ASN HB1 . 6803 1 1107 . 1 1 95 95 ASN HB3 H 1 2.720 0.02 . 2 . . . . 95 ASN HB2 . 6803 1 1108 . 1 1 95 95 ASN HD21 H 1 7.600 0.02 . 2 . . . . 95 ASN HD21 . 6803 1 1109 . 1 1 95 95 ASN HD22 H 1 6.870 0.02 . 2 . . . . 95 ASN HD22 . 6803 1 1110 . 1 1 95 95 ASN C C 13 174.979 0.2 . 1 . . . . 95 ASN C . 6803 1 1111 . 1 1 95 95 ASN CA C 13 53.300 0.2 . 1 . . . . 95 ASN CA . 6803 1 1112 . 1 1 95 95 ASN CB C 13 39.031 0.2 . 1 . . . . 95 ASN CB . 6803 1 1113 . 1 1 95 95 ASN N N 15 118.560 0.2 . 1 . . . . 95 ASN N . 6803 1 1114 . 1 1 95 95 ASN ND2 N 15 112.580 0.2 . 1 . . . . 95 ASN ND2 . 6803 1 1115 . 1 1 96 96 ASP H H 1 8.298 0.02 . 1 . . . . 96 ASP HN . 6803 1 1116 . 1 1 96 96 ASP HA H 1 4.540 0.02 . 1 . . . . 96 ASP HA . 6803 1 1117 . 1 1 96 96 ASP HB2 H 1 2.672 0.02 . 2 . . . . 96 ASP HB1 . 6803 1 1118 . 1 1 96 96 ASP HB3 H 1 2.617 0.02 . 2 . . . . 96 ASP HB2 . 6803 1 1119 . 1 1 96 96 ASP C C 13 176.490 0.2 . 1 . . . . 96 ASP C . 6803 1 1120 . 1 1 96 96 ASP CA C 13 54.589 0.2 . 1 . . . . 96 ASP CA . 6803 1 1121 . 1 1 96 96 ASP CB C 13 41.317 0.2 . 1 . . . . 96 ASP CB . 6803 1 1122 . 1 1 96 96 ASP N N 15 120.432 0.2 . 1 . . . . 96 ASP N . 6803 1 1123 . 1 1 97 97 LEU H H 1 8.197 0.02 . 1 . . . . 97 LEU HN . 6803 1 1124 . 1 1 97 97 LEU HA H 1 4.143 0.02 . 1 . . . . 97 LEU HA . 6803 1 1125 . 1 1 97 97 LEU HB2 H 1 1.575 0.02 . 1 . . . . 97 LEU HB1 . 6803 1 1126 . 1 1 97 97 LEU HB3 H 1 1.575 0.02 . 1 . . . . 97 LEU HB2 . 6803 1 1127 . 1 1 97 97 LEU HG H 1 1.550 0.02 . 1 . . . . 97 LEU HG . 6803 1 1128 . 1 1 97 97 LEU HD11 H 1 0.735 0.02 . 4 . . . . 97 LEU HD1 . 6803 1 1129 . 1 1 97 97 LEU HD12 H 1 0.735 0.02 . 4 . . . . 97 LEU HD1 . 6803 1 1130 . 1 1 97 97 LEU HD13 H 1 0.735 0.02 . 4 . . . . 97 LEU HD1 . 6803 1 1131 . 1 1 97 97 LEU HD21 H 1 0.735 0.02 . 4 . . . . 97 LEU HD2 . 6803 1 1132 . 1 1 97 97 LEU HD22 H 1 0.735 0.02 . 4 . . . . 97 LEU HD2 . 6803 1 1133 . 1 1 97 97 LEU HD23 H 1 0.735 0.02 . 4 . . . . 97 LEU HD2 . 6803 1 1134 . 1 1 97 97 LEU C C 13 177.921 0.2 . 1 . . . . 97 LEU C . 6803 1 1135 . 1 1 97 97 LEU CA C 13 55.304 0.2 . 1 . . . . 97 LEU CA . 6803 1 1136 . 1 1 97 97 LEU CB C 13 42.040 0.2 . 1 . . . . 97 LEU CB . 6803 1 1137 . 1 1 97 97 LEU CG C 13 26.909 0.2 . 1 . . . . 97 LEU CG . 6803 1 1138 . 1 1 97 97 LEU CD1 C 13 22.919 0.2 . 2 . . . . 97 LEU CD1 . 6803 1 1139 . 1 1 97 97 LEU CD2 C 13 24.794 0.2 . 2 . . . . 97 LEU CD2 . 6803 1 1140 . 1 1 97 97 LEU N N 15 121.760 0.2 . 1 . . . . 97 LEU N . 6803 1 1141 . 1 1 98 98 GLU H H 1 8.178 0.02 . 1 . . . . 98 GLU HN . 6803 1 1142 . 1 1 98 98 GLU HA H 1 4.079 0.02 . 1 . . . . 98 GLU HA . 6803 1 1143 . 1 1 98 98 GLU HB2 H 1 1.832 0.02 . 1 . . . . 98 GLU HB1 . 6803 1 1144 . 1 1 98 98 GLU HB3 H 1 1.832 0.02 . 1 . . . . 98 GLU HB2 . 6803 1 1145 . 1 1 98 98 GLU HG2 H 1 2.100 0.02 . 1 . . . . 98 GLU HG1 . 6803 1 1146 . 1 1 98 98 GLU HG3 H 1 2.100 0.02 . 1 . . . . 98 GLU HG2 . 6803 1 1147 . 1 1 98 98 GLU C C 13 176.367 0.2 . 1 . . . . 98 GLU C . 6803 1 1148 . 1 1 98 98 GLU CA C 13 57.138 0.2 . 1 . . . . 98 GLU CA . 6803 1 1149 . 1 1 98 98 GLU CB C 13 29.933 0.2 . 1 . . . . 98 GLU CB . 6803 1 1150 . 1 1 98 98 GLU CG C 13 36.292 0.2 . 1 . . . . 98 GLU CG . 6803 1 1151 . 1 1 98 98 GLU N N 15 118.380 0.2 . 1 . . . . 98 GLU N . 6803 1 1152 . 1 1 99 99 HIS HA H 1 4.580 0.02 . 1 . . . . 99 HIS HA . 6803 1 1153 . 1 1 99 99 HIS HB2 H 1 3.010 0.02 . 2 . . . . 99 HIS HB1 . 6803 1 1154 . 1 1 99 99 HIS HB3 H 1 3.085 0.02 . 2 . . . . 99 HIS HB2 . 6803 1 1155 . 1 1 99 99 HIS C C 13 174.607 0.2 . 1 . . . . 99 HIS C . 6803 1 1156 . 1 1 99 99 HIS CA C 13 57.138 0.2 . 1 . . . . 99 HIS CA . 6803 1 1157 . 1 1 99 99 HIS CB C 13 29.290 0.2 . 1 . . . . 99 HIS CB . 6803 1 1158 . 1 1 100 100 HIS C C 13 178.903 0.2 . 1 . . . . 100 HIS C . 6803 1 1159 . 1 1 100 100 HIS CA C 13 55.440 0.2 . 1 . . . . 100 HIS CA . 6803 1 1160 . 1 1 100 100 HIS CB C 13 30.060 0.2 . 1 . . . . 100 HIS CB . 6803 1 stop_ save_