data_15664 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15664 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of the C-terminal domain of the protein YqiJ from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-19 _Entry.Accession_date 2008-02-19 _Entry.Last_release_date 2009-06-10 _Entry.Original_release_date 2009-06-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'The BMRB entry contains chemical shift assignments of residues 118 to 209 from YqiJ (residues 9 to 100 of this entry). In addition, assignments are provided for the first eight residues (GSHMLEDP) that originate from the MBP-fusion product.' _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 Heiko Moller . M. . 15664 2 Christina Drees . A. . 15664 3 Markus Hinderhofer . . . 15664 4 Winfried Boos . . . 15664 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Konstanz' . 15664 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15664 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 436 15664 '15N chemical shifts' 91 15664 '1H chemical shifts' 643 15664 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 . . 2009-06-10 2008-02-19 original author . 15664 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15664 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19138386 _Citation.Full_citation . _Citation.Title 'Evolution of prokaryotic SPFH proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'BMC Evol. Biol.' _Citation.Journal_name_full 'BMC evolutionary biology' _Citation.Journal_volume 9 _Citation.Journal_issue . _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 10 _Citation.Page_last 10 _Citation.Year 2009 _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 Markus Hinderhofer . . . 15664 1 2 Christina Walker . A. . 15664 1 3 Anke Friemel . . . 15664 1 4 Heiko Stuermer . M. . 15664 1 5 Alexander Reuter . . . 15664 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cellular stress' 15664 1 'Escherichia coli' 15664 1 'NfeD-like protein' 15664 1 YqiJ 15664 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15664 _Assembly.ID 1 _Assembly.Name YqiJ _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11089.6 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 YqiJ 1 $YqiJ A . yes native yes no . . ; The major conformational isomer (>90%) has the following configurations of its proline residues according to chemical shifts: P8 trans, P15 trans, P18 trans, P47 cis, P66 trans, P95 trans, P97 trans. The configurations of the other conformational isomers have not been investigated in detail. ; 15664 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YqiJ _Entity.Sf_category entity _Entity.Sf_framecode YqiJ _Entity.Entry_ID 15664 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YqiJ _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 ; GSHMLEDPTGKIVAPWIPRD HSSAITEEEYIGSMALITGH QATSGNPCEGKLTDQFGQIH YLLLEPEEGKIFTKGDKVLI ICRLSATRYLAENNPWPQIL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'C-terminal domain of YqiJ' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11089.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 DBJ BAB37355 . "putative oxidoreductase [Escherichia coli O157:H7 str. Sakai]" . . . . . 87.00 204 98.85 98.85 5.35e-55 . . . . 15664 1 2 no DBJ BAE77102 . "predicted inner membrane protein [Escherichia coli str. K12 substr. W3110]" . . . . . 92.00 209 100.00 100.00 4.57e-60 . . . . 15664 1 3 no DBJ BAG78853 . "putative oxidoreductase [Escherichia coli SE11]" . . . . . 92.00 209 98.91 98.91 1.44e-59 . . . . 15664 1 4 no DBJ BAI27332 . "predicted inner membrane protein [Escherichia coli O26:H11 str. 11368]" . . . . . 92.00 209 98.91 98.91 1.44e-59 . . . . 15664 1 5 no DBJ BAI32447 . "predicted inner membrane protein [Escherichia coli O103:H2 str. 12009]" . . . . . 92.00 209 98.91 98.91 1.44e-59 . . . . 15664 1 6 no EMBL CAQ33387 . "putative oxidoreductase [Escherichia coli BL21(DE3)]" . . . . . 92.00 209 100.00 100.00 4.57e-60 . . . . 15664 1 7 no EMBL CAR00011 . "conserved hypothetical protein; putative inner membrane protein [Escherichia coli IAI1]" . . . . . 92.00 209 98.91 98.91 1.44e-59 . . . . 15664 1 8 no EMBL CAR14688 . "conserved hypothetical protein; putative inner membrane protein [Escherichia coli UMN026]" . . . . . 92.00 209 100.00 100.00 4.52e-60 . . . . 15664 1 9 no EMBL CAR19662 . "conserved hypothetical protein; putative inner membrane protein [Escherichia coli IAI39]" . . . . . 92.00 209 100.00 100.00 3.97e-60 . . . . 15664 1 10 no EMBL CAU99595 . "conserved hypothetical protein; putative inner membrane protein [Escherichia coli 55989]" . . . . . 92.00 209 98.91 98.91 1.44e-59 . . . . 15664 1 11 no GB AAC76086 . "DUF1449 family inner membrane protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.00 209 100.00 100.00 4.57e-60 . . . . 15664 1 12 no GB AAG58184 . "putative oxidoreductase [Escherichia coli O157:H7 str. EDL933]" . . . . . 87.00 204 98.85 98.85 5.35e-55 . . . . 15664 1 13 no GB AAZ89770 . "putative oxidoreductase [Shigella sonnei Ss046]" . . . . . 92.00 209 98.91 98.91 5.19e-59 . . . . 15664 1 14 no GB ABG71122 . "putative membrane protein YqiJ [Escherichia coli 536]" . . . . . 92.00 209 98.91 98.91 5.78e-59 . . . . 15664 1 15 no GB ABV07459 . "putative inner membrane protein [Escherichia coli HS]" . . . . . 92.00 209 100.00 100.00 3.97e-60 . . . . 15664 1 16 no REF NP_311959 . "oxidoreductase [Escherichia coli O157:H7 str. Sakai]" . . . . . 87.00 204 98.85 98.85 5.35e-55 . . . . 15664 1 17 no REF NP_417522 . "DUF1449 family inner membrane protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.00 209 100.00 100.00 4.57e-60 . . . . 15664 1 18 no REF WP_000016376 . "hypothetical protein [Escherichia coli]" . . . . . 92.00 201 100.00 100.00 5.91e-60 . . . . 15664 1 19 no REF WP_000599922 . "membrane protein [Escherichia coli]" . . . . . 92.00 209 100.00 100.00 4.62e-60 . . . . 15664 1 20 no REF WP_000599923 . "hypothetical protein [Escherichia coli]" . . . . . 92.00 209 100.00 100.00 4.57e-60 . . . . 15664 1 21 no SP P76657 . "RecName: Full=Inner membrane protein YqiJ" . . . . . 92.00 209 100.00 100.00 4.57e-60 . . . . 15664 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15664 1 2 . SER . 15664 1 3 . HIS . 15664 1 4 . MET . 15664 1 5 . LEU . 15664 1 6 . GLU . 15664 1 7 . ASP . 15664 1 8 . PRO . 15664 1 9 . THR . 15664 1 10 . GLY . 15664 1 11 . LYS . 15664 1 12 . ILE . 15664 1 13 . VAL . 15664 1 14 . ALA . 15664 1 15 . PRO . 15664 1 16 . TRP . 15664 1 17 . ILE . 15664 1 18 . PRO . 15664 1 19 . ARG . 15664 1 20 . ASP . 15664 1 21 . HIS . 15664 1 22 . SER . 15664 1 23 . SER . 15664 1 24 . ALA . 15664 1 25 . ILE . 15664 1 26 . THR . 15664 1 27 . GLU . 15664 1 28 . GLU . 15664 1 29 . GLU . 15664 1 30 . TYR . 15664 1 31 . ILE . 15664 1 32 . GLY . 15664 1 33 . SER . 15664 1 34 . MET . 15664 1 35 . ALA . 15664 1 36 . LEU . 15664 1 37 . ILE . 15664 1 38 . THR . 15664 1 39 . GLY . 15664 1 40 . HIS . 15664 1 41 . GLN . 15664 1 42 . ALA . 15664 1 43 . THR . 15664 1 44 . SER . 15664 1 45 . GLY . 15664 1 46 . ASN . 15664 1 47 . PRO . 15664 1 48 . CYS . 15664 1 49 . GLU . 15664 1 50 . GLY . 15664 1 51 . LYS . 15664 1 52 . LEU . 15664 1 53 . THR . 15664 1 54 . ASP . 15664 1 55 . GLN . 15664 1 56 . PHE . 15664 1 57 . GLY . 15664 1 58 . GLN . 15664 1 59 . ILE . 15664 1 60 . HIS . 15664 1 61 . TYR . 15664 1 62 . LEU . 15664 1 63 . LEU . 15664 1 64 . LEU . 15664 1 65 . GLU . 15664 1 66 . PRO . 15664 1 67 . GLU . 15664 1 68 . GLU . 15664 1 69 . GLY . 15664 1 70 . LYS . 15664 1 71 . ILE . 15664 1 72 . PHE . 15664 1 73 . THR . 15664 1 74 . LYS . 15664 1 75 . GLY . 15664 1 76 . ASP . 15664 1 77 . LYS . 15664 1 78 . VAL . 15664 1 79 . LEU . 15664 1 80 . ILE . 15664 1 81 . ILE . 15664 1 82 . CYS . 15664 1 83 . ARG . 15664 1 84 . LEU . 15664 1 85 . SER . 15664 1 86 . ALA . 15664 1 87 . THR . 15664 1 88 . ARG . 15664 1 89 . TYR . 15664 1 90 . LEU . 15664 1 91 . ALA . 15664 1 92 . GLU . 15664 1 93 . ASN . 15664 1 94 . ASN . 15664 1 95 . PRO . 15664 1 96 . TRP . 15664 1 97 . PRO . 15664 1 98 . GLN . 15664 1 99 . ILE . 15664 1 100 . LEU . 15664 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15664 1 . SER 2 2 15664 1 . HIS 3 3 15664 1 . MET 4 4 15664 1 . LEU 5 5 15664 1 . GLU 6 6 15664 1 . ASP 7 7 15664 1 . PRO 8 8 15664 1 . THR 9 9 15664 1 . GLY 10 10 15664 1 . LYS 11 11 15664 1 . ILE 12 12 15664 1 . VAL 13 13 15664 1 . ALA 14 14 15664 1 . PRO 15 15 15664 1 . TRP 16 16 15664 1 . ILE 17 17 15664 1 . PRO 18 18 15664 1 . ARG 19 19 15664 1 . ASP 20 20 15664 1 . HIS 21 21 15664 1 . SER 22 22 15664 1 . SER 23 23 15664 1 . ALA 24 24 15664 1 . ILE 25 25 15664 1 . THR 26 26 15664 1 . GLU 27 27 15664 1 . GLU 28 28 15664 1 . GLU 29 29 15664 1 . TYR 30 30 15664 1 . ILE 31 31 15664 1 . GLY 32 32 15664 1 . SER 33 33 15664 1 . MET 34 34 15664 1 . ALA 35 35 15664 1 . LEU 36 36 15664 1 . ILE 37 37 15664 1 . THR 38 38 15664 1 . GLY 39 39 15664 1 . HIS 40 40 15664 1 . GLN 41 41 15664 1 . ALA 42 42 15664 1 . THR 43 43 15664 1 . SER 44 44 15664 1 . GLY 45 45 15664 1 . ASN 46 46 15664 1 . PRO 47 47 15664 1 . CYS 48 48 15664 1 . GLU 49 49 15664 1 . GLY 50 50 15664 1 . LYS 51 51 15664 1 . LEU 52 52 15664 1 . THR 53 53 15664 1 . ASP 54 54 15664 1 . GLN 55 55 15664 1 . PHE 56 56 15664 1 . GLY 57 57 15664 1 . GLN 58 58 15664 1 . ILE 59 59 15664 1 . HIS 60 60 15664 1 . TYR 61 61 15664 1 . LEU 62 62 15664 1 . LEU 63 63 15664 1 . LEU 64 64 15664 1 . GLU 65 65 15664 1 . PRO 66 66 15664 1 . GLU 67 67 15664 1 . GLU 68 68 15664 1 . GLY 69 69 15664 1 . LYS 70 70 15664 1 . ILE 71 71 15664 1 . PHE 72 72 15664 1 . THR 73 73 15664 1 . LYS 74 74 15664 1 . GLY 75 75 15664 1 . ASP 76 76 15664 1 . LYS 77 77 15664 1 . VAL 78 78 15664 1 . LEU 79 79 15664 1 . ILE 80 80 15664 1 . ILE 81 81 15664 1 . CYS 82 82 15664 1 . ARG 83 83 15664 1 . LEU 84 84 15664 1 . SER 85 85 15664 1 . ALA 86 86 15664 1 . THR 87 87 15664 1 . ARG 88 88 15664 1 . TYR 89 89 15664 1 . LEU 90 90 15664 1 . ALA 91 91 15664 1 . GLU 92 92 15664 1 . ASN 93 93 15664 1 . ASN 94 94 15664 1 . PRO 95 95 15664 1 . TRP 96 96 15664 1 . PRO 97 97 15664 1 . GLN 98 98 15664 1 . ILE 99 99 15664 1 . LEU 100 100 15664 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 15664 _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 $YqiJ . 562 organism . 'Escherichia coli' . . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . . . . yqij . . . . 15664 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 15664 _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 $YqiJ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 MG1655 . . . . . . . . . . . . . . pHIHO1422 . . . 'The plasmid pHIHO1422 was constructed by fusion the coding sequence of residues 118-209 of YqiJ and the thrombin cleavage site to the 3'-end of the malE gene. The soluble C-terminal domain of YqiJ was generated by cleaving of the malE part by digestion with thrombin.' . . 15664 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15664 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '95% H2O/5% D2O' _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 YqiJ '[U-13C; U-15N]' . . 1 $YqiJ . . 1 . . mM . . . . 15664 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 15664 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 15664 1 4 'sodium azide' 'natural abundance' . . . . . . 4 . . mM . . . . 15664 1 5 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 15664 1 6 H2O . . . . . . . 95 . . % . . . . 15664 1 7 D2O . . . . . . . 5 . . % . . . . 15664 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15664 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '100% D2O' _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 YqiJ '[U-13C; U-15N]' . . 1 $YqiJ . . 1 . . mM . . . . 15664 2 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 15664 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 15664 2 4 'sodium azide' 'natural abundance' . . . . . . 4 . . mM . . . . 15664 2 5 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 15664 2 6 D2O . . . . . . . 100 . . % . . . . 15664 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15664 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '95% H2O/5% D2O' _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 YqiJ [U-15N] . . 1 $YqiJ . . 1.2 . . mM . . . . 15664 3 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 15664 3 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 15664 3 4 'sodium azide' 'natural abundance' . . . . . . 4 . . mM . . . . 15664 3 5 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 15664 3 6 H2O . . . . . . . 95 . . % . . . . 15664 3 7 D2O . . . . . . . 5 . . % . . . . 15664 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15664 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 300 . mM 15664 1 pH 7.5 . pH 15664 1 pressure 1 . atm 15664 1 temperature 300 . K 15664 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15664 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15664 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15664 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15664 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15664 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15664 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15664 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15664 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15664 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15664 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TXI-H/C/N triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance DRX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15664 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TCI-H/C/N triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15664 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance DRX' . 600 'TXI-H/C/N triple resonance probe' . . 15664 1 2 spectrometer_2 Bruker 'Avance III' . 800 'TCI-H/C/N triple resonance probe' . . 15664 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15664 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 10 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 12 '3D (H)CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 13 '3D 1H-13C-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15664 1 14 (HB)CB(CGCDCE)HE no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 15 (HB)CB(CGCD)HD no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 16 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 17 '3D 1H-13C-NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15664 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15664 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Chemical shift referencing was done using the correction values provided by the REFCOR subroutine of the PREDITOR program (Wang and Wishart, 2005, JBNMR 31, 143).' 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 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . . . . . 15664 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 15664 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . . . . . 15664 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15664 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 15664 1 2 '2D 1H-13C HSQC' . . . 15664 1 6 '3D HNCO' . . . 15664 1 16 '2D 1H-13C HSQC aromatic' . . . 15664 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 15664 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 GLY HA2 H 1 3.63 0.02 . 1 . . . . 1 GLY HA2 . 15664 1 2 . 1 1 1 1 GLY CA C 13 48.0 0.3 . 1 . . . . 1 GLY CA . 15664 1 3 . 1 1 3 3 HIS HA H 1 4.51 0.02 . 1 . . . . 3 HIS HA . 15664 1 4 . 1 1 3 3 HIS HB2 H 1 2.96 0.02 . 2 . . . . 3 HIS HB2 . 15664 1 5 . 1 1 3 3 HIS HB3 H 1 3.00 0.02 . 2 . . . . 3 HIS HB3 . 15664 1 6 . 1 1 3 3 HIS HD2 H 1 6.88 0.02 . 1 . . . . 3 HIS HD2 . 15664 1 7 . 1 1 3 3 HIS HE1 H 1 7.67 0.02 . 1 . . . . 3 HIS HE1 . 15664 1 8 . 1 1 3 3 HIS CA C 13 56.8 0.3 . 1 . . . . 3 HIS CA . 15664 1 9 . 1 1 3 3 HIS CB C 13 31.1 0.3 . 1 . . . . 3 HIS CB . 15664 1 10 . 1 1 3 3 HIS CD2 C 13 119.8 0.3 . 1 . . . . 3 HIS CD2 . 15664 1 11 . 1 1 3 3 HIS CE1 C 13 138.5 0.3 . 1 . . . . 3 HIS CE1 . 15664 1 12 . 1 1 4 4 MET HE1 H 1 1.97 0.02 . 1 . . . . 4 MET HE . 15664 1 13 . 1 1 4 4 MET HE2 H 1 1.97 0.02 . 1 . . . . 4 MET HE . 15664 1 14 . 1 1 4 4 MET HE3 H 1 1.97 0.02 . 1 . . . . 4 MET HE . 15664 1 15 . 1 1 4 4 MET CE C 13 17.1 0.3 . 1 . . . . 4 MET CE . 15664 1 16 . 1 1 5 5 LEU H H 1 8.16 0.02 . 1 . . . . 5 LEU H . 15664 1 17 . 1 1 5 5 LEU HA H 1 4.20 0.02 . 1 . . . . 5 LEU HA . 15664 1 18 . 1 1 5 5 LEU HB2 H 1 1.50 0.02 . 1 . . . . 5 LEU HB2 . 15664 1 19 . 1 1 5 5 LEU HD11 H 1 0.82 0.02 . 1 . . . . 5 LEU HD1 . 15664 1 20 . 1 1 5 5 LEU HD12 H 1 0.82 0.02 . 1 . . . . 5 LEU HD1 . 15664 1 21 . 1 1 5 5 LEU HD13 H 1 0.82 0.02 . 1 . . . . 5 LEU HD1 . 15664 1 22 . 1 1 5 5 LEU HD21 H 1 0.75 0.02 . 1 . . . . 5 LEU HD2 . 15664 1 23 . 1 1 5 5 LEU HD22 H 1 0.75 0.02 . 1 . . . . 5 LEU HD2 . 15664 1 24 . 1 1 5 5 LEU HD23 H 1 0.75 0.02 . 1 . . . . 5 LEU HD2 . 15664 1 25 . 1 1 5 5 LEU HG H 1 1.47 0.02 . 1 . . . . 5 LEU HG . 15664 1 26 . 1 1 5 5 LEU C C 13 177.5 0.3 . 1 . . . . 5 LEU C . 15664 1 27 . 1 1 5 5 LEU CA C 13 55.4 0.3 . 1 . . . . 5 LEU CA . 15664 1 28 . 1 1 5 5 LEU CB C 13 42.6 0.3 . 1 . . . . 5 LEU CB . 15664 1 29 . 1 1 5 5 LEU CD1 C 13 25.1 0.3 . 1 . . . . 5 LEU CD1 . 15664 1 30 . 1 1 5 5 LEU CD2 C 13 23.7 0.3 . 1 . . . . 5 LEU CD2 . 15664 1 31 . 1 1 5 5 LEU CG C 13 27.3 0.3 . 1 . . . . 5 LEU CG . 15664 1 32 . 1 1 5 5 LEU N N 15 124.3 0.3 . 1 . . . . 5 LEU N . 15664 1 33 . 1 1 6 6 GLU H H 1 8.16 0.02 . 1 . . . . 6 GLU H . 15664 1 34 . 1 1 6 6 GLU HA H 1 4.19 0.02 . 1 . . . . 6 GLU HA . 15664 1 35 . 1 1 6 6 GLU HB2 H 1 1.89 0.02 . 2 . . . . 6 GLU HB2 . 15664 1 36 . 1 1 6 6 GLU HB3 H 1 1.80 0.02 . 2 . . . . 6 GLU HB3 . 15664 1 37 . 1 1 6 6 GLU HG2 H 1 2.09 0.02 . 1 . . . . 6 GLU HG2 . 15664 1 38 . 1 1 6 6 GLU C C 13 176.2 0.3 . 1 . . . . 6 GLU C . 15664 1 39 . 1 1 6 6 GLU CA C 13 56.3 0.3 . 1 . . . . 6 GLU CA . 15664 1 40 . 1 1 6 6 GLU CB C 13 30.9 0.3 . 1 . . . . 6 GLU CB . 15664 1 41 . 1 1 6 6 GLU CG C 13 36.4 0.3 . 1 . . . . 6 GLU CG . 15664 1 42 . 1 1 6 6 GLU N N 15 122.5 0.3 . 1 . . . . 6 GLU N . 15664 1 43 . 1 1 7 7 ASP H H 1 8.29 0.02 . 1 . . . . 7 ASP H . 15664 1 44 . 1 1 7 7 ASP HA H 1 4.91 0.02 . 1 . . . . 7 ASP HA . 15664 1 45 . 1 1 7 7 ASP HB2 H 1 2.67 0.02 . 2 . . . . 7 ASP HB2 . 15664 1 46 . 1 1 7 7 ASP HB3 H 1 2.38 0.02 . 2 . . . . 7 ASP HB3 . 15664 1 47 . 1 1 7 7 ASP CA C 13 51.7 0.3 . 1 . . . . 7 ASP CA . 15664 1 48 . 1 1 7 7 ASP CB C 13 41.6 0.3 . 1 . . . . 7 ASP CB . 15664 1 49 . 1 1 7 7 ASP N N 15 124.0 0.3 . 1 . . . . 7 ASP N . 15664 1 50 . 1 1 8 8 PRO HA H 1 4.38 0.02 . 1 . . . . 8 PRO HA . 15664 1 51 . 1 1 8 8 PRO HB2 H 1 2.22 0.02 . 2 . . . . 8 PRO HB2 . 15664 1 52 . 1 1 8 8 PRO HB3 H 1 1.92 0.02 . 2 . . . . 8 PRO HB3 . 15664 1 53 . 1 1 8 8 PRO HD2 H 1 3.77 0.02 . 1 . . . . 8 PRO HD2 . 15664 1 54 . 1 1 8 8 PRO HG2 H 1 1.92 0.02 . 1 . . . . 8 PRO HG2 . 15664 1 55 . 1 1 8 8 PRO C C 13 178.1 0.3 . 1 . . . . 8 PRO C . 15664 1 56 . 1 1 8 8 PRO CA C 13 64.2 0.3 . 1 . . . . 8 PRO CA . 15664 1 57 . 1 1 8 8 PRO CB C 13 32.3 0.3 . 1 . . . . 8 PRO CB . 15664 1 58 . 1 1 8 8 PRO CD C 13 51.1 0.3 . 1 . . . . 8 PRO CD . 15664 1 59 . 1 1 8 8 PRO CG C 13 27.3 0.3 . 1 . . . . 8 PRO CG . 15664 1 60 . 1 1 9 9 THR H H 1 8.19 0.02 . 1 . . . . 9 THR H . 15664 1 61 . 1 1 9 9 THR HA H 1 4.18 0.02 . 1 . . . . 9 THR HA . 15664 1 62 . 1 1 9 9 THR HB H 1 4.17 0.02 . 1 . . . . 9 THR HB . 15664 1 63 . 1 1 9 9 THR HG21 H 1 1.13 0.02 . 1 . . . . 9 THR HG2 . 15664 1 64 . 1 1 9 9 THR HG22 H 1 1.13 0.02 . 1 . . . . 9 THR HG2 . 15664 1 65 . 1 1 9 9 THR HG23 H 1 1.13 0.02 . 1 . . . . 9 THR HG2 . 15664 1 66 . 1 1 9 9 THR C C 13 176.1 0.3 . 1 . . . . 9 THR C . 15664 1 67 . 1 1 9 9 THR CA C 13 63.0 0.3 . 1 . . . . 9 THR CA . 15664 1 68 . 1 1 9 9 THR CB C 13 69.8 0.3 . 1 . . . . 9 THR CB . 15664 1 69 . 1 1 9 9 THR CG2 C 13 21.8 0.3 . 1 . . . . 9 THR CG2 . 15664 1 70 . 1 1 9 9 THR N N 15 113.2 0.3 . 1 . . . . 9 THR N . 15664 1 71 . 1 1 10 10 GLY H H 1 8.06 0.02 . 1 . . . . 10 GLY H . 15664 1 72 . 1 1 10 10 GLY HA2 H 1 3.85 0.02 . 1 . . . . 10 GLY HA2 . 15664 1 73 . 1 1 10 10 GLY C C 13 174.4 0.3 . 1 . . . . 10 GLY C . 15664 1 74 . 1 1 10 10 GLY CA C 13 45.7 0.3 . 1 . . . . 10 GLY CA . 15664 1 75 . 1 1 10 10 GLY N N 15 111.8 0.3 . 1 . . . . 10 GLY N . 15664 1 76 . 1 1 11 11 LYS H H 1 7.81 0.02 . 1 . . . . 11 LYS H . 15664 1 77 . 1 1 11 11 LYS HA H 1 4.19 0.02 . 1 . . . . 11 LYS HA . 15664 1 78 . 1 1 11 11 LYS HB2 H 1 1.68 0.02 . 2 . . . . 11 LYS HB2 . 15664 1 79 . 1 1 11 11 LYS HB3 H 1 1.60 0.02 . 2 . . . . 11 LYS HB3 . 15664 1 80 . 1 1 11 11 LYS HD2 H 1 1.54 0.02 . 1 . . . . 11 LYS HD2 . 15664 1 81 . 1 1 11 11 LYS HE2 H 1 2.85 0.02 . 1 . . . . 11 LYS HE2 . 15664 1 82 . 1 1 11 11 LYS HG2 H 1 1.30 0.02 . 2 . . . . 11 LYS HG2 . 15664 1 83 . 1 1 11 11 LYS HG3 H 1 1.24 0.02 . 2 . . . . 11 LYS HG3 . 15664 1 84 . 1 1 11 11 LYS C C 13 176.8 0.3 . 1 . . . . 11 LYS C . 15664 1 85 . 1 1 11 11 LYS CA C 13 56.4 0.3 . 1 . . . . 11 LYS CA . 15664 1 86 . 1 1 11 11 LYS CB C 13 33.4 0.3 . 1 . . . . 11 LYS CB . 15664 1 87 . 1 1 11 11 LYS CD C 13 29.1 0.3 . 1 . . . . 11 LYS CD . 15664 1 88 . 1 1 11 11 LYS CE C 13 42.2 0.3 . 1 . . . . 11 LYS CE . 15664 1 89 . 1 1 11 11 LYS CG C 13 24.9 0.3 . 1 . . . . 11 LYS CG . 15664 1 90 . 1 1 11 11 LYS N N 15 121.6 0.3 . 1 . . . . 11 LYS N . 15664 1 91 . 1 1 12 12 ILE H H 1 8.12 0.02 . 1 . . . . 12 ILE H . 15664 1 92 . 1 1 12 12 ILE HA H 1 4.07 0.02 . 1 . . . . 12 ILE HA . 15664 1 93 . 1 1 12 12 ILE HB H 1 1.73 0.02 . 1 . . . . 12 ILE HB . 15664 1 94 . 1 1 12 12 ILE HD11 H 1 0.74 0.02 . 1 . . . . 12 ILE HD1 . 15664 1 95 . 1 1 12 12 ILE HD12 H 1 0.74 0.02 . 1 . . . . 12 ILE HD1 . 15664 1 96 . 1 1 12 12 ILE HD13 H 1 0.74 0.02 . 1 . . . . 12 ILE HD1 . 15664 1 97 . 1 1 12 12 ILE HG12 H 1 1.38 0.02 . 2 . . . . 12 ILE HG12 . 15664 1 98 . 1 1 12 12 ILE HG13 H 1 1.06 0.02 . 2 . . . . 12 ILE HG13 . 15664 1 99 . 1 1 12 12 ILE HG21 H 1 0.74 0.02 . 1 . . . . 12 ILE HG2 . 15664 1 100 . 1 1 12 12 ILE HG22 H 1 0.74 0.02 . 1 . . . . 12 ILE HG2 . 15664 1 101 . 1 1 12 12 ILE HG23 H 1 0.74 0.02 . 1 . . . . 12 ILE HG2 . 15664 1 102 . 1 1 12 12 ILE C C 13 176.6 0.3 . 1 . . . . 12 ILE C . 15664 1 103 . 1 1 12 12 ILE CA C 13 61.2 0.3 . 1 . . . . 12 ILE CA . 15664 1 104 . 1 1 12 12 ILE CB C 13 38.5 0.3 . 1 . . . . 12 ILE CB . 15664 1 105 . 1 1 12 12 ILE CD1 C 13 12.8 0.3 . 1 . . . . 12 ILE CD1 . 15664 1 106 . 1 1 12 12 ILE CG1 C 13 27.5 0.3 . 1 . . . . 12 ILE CG1 . 15664 1 107 . 1 1 12 12 ILE CG2 C 13 17.7 0.3 . 1 . . . . 12 ILE CG2 . 15664 1 108 . 1 1 12 12 ILE N N 15 123.9 0.3 . 1 . . . . 12 ILE N . 15664 1 109 . 1 1 13 13 VAL H H 1 8.15 0.02 . 1 . . . . 13 VAL H . 15664 1 110 . 1 1 13 13 VAL HA H 1 3.99 0.02 . 1 . . . . 13 VAL HA . 15664 1 111 . 1 1 13 13 VAL HB H 1 1.90 0.02 . 1 . . . . 13 VAL HB . 15664 1 112 . 1 1 13 13 VAL HG11 H 1 0.80 0.02 . 1 . . . . 13 VAL HG1 . 15664 1 113 . 1 1 13 13 VAL HG12 H 1 0.80 0.02 . 1 . . . . 13 VAL HG1 . 15664 1 114 . 1 1 13 13 VAL HG13 H 1 0.80 0.02 . 1 . . . . 13 VAL HG1 . 15664 1 115 . 1 1 13 13 VAL HG21 H 1 0.79 0.02 . 1 . . . . 13 VAL HG2 . 15664 1 116 . 1 1 13 13 VAL HG22 H 1 0.79 0.02 . 1 . . . . 13 VAL HG2 . 15664 1 117 . 1 1 13 13 VAL HG23 H 1 0.79 0.02 . 1 . . . . 13 VAL HG2 . 15664 1 118 . 1 1 13 13 VAL C C 13 175.6 0.3 . 1 . . . . 13 VAL C . 15664 1 119 . 1 1 13 13 VAL CA C 13 62.0 0.3 . 1 . . . . 13 VAL CA . 15664 1 120 . 1 1 13 13 VAL CB C 13 33.0 0.3 . 1 . . . . 13 VAL CB . 15664 1 121 . 1 1 13 13 VAL CG1 C 13 21.4 0.3 . 1 . . . . 13 VAL CG1 . 15664 1 122 . 1 1 13 13 VAL CG2 C 13 20.7 0.3 . 1 . . . . 13 VAL CG2 . 15664 1 123 . 1 1 13 13 VAL N N 15 126.7 0.3 . 1 . . . . 13 VAL N . 15664 1 124 . 1 1 14 14 ALA H H 1 8.18 0.02 . 1 . . . . 14 ALA H . 15664 1 125 . 1 1 14 14 ALA HA H 1 4.35 0.02 . 1 . . . . 14 ALA HA . 15664 1 126 . 1 1 14 14 ALA HB1 H 1 1.04 0.02 . 1 . . . . 14 ALA HB . 15664 1 127 . 1 1 14 14 ALA HB2 H 1 1.04 0.02 . 1 . . . . 14 ALA HB . 15664 1 128 . 1 1 14 14 ALA HB3 H 1 1.04 0.02 . 1 . . . . 14 ALA HB . 15664 1 129 . 1 1 14 14 ALA CA C 13 50.4 0.3 . 1 . . . . 14 ALA CA . 15664 1 130 . 1 1 14 14 ALA CB C 13 18.4 0.3 . 1 . . . . 14 ALA CB . 15664 1 131 . 1 1 14 14 ALA N N 15 130.3 0.3 . 1 . . . . 14 ALA N . 15664 1 132 . 1 1 15 15 PRO HA H 1 4.23 0.02 . 1 . . . . 15 PRO HA . 15664 1 133 . 1 1 15 15 PRO HB2 H 1 1.87 0.02 . 2 . . . . 15 PRO HB2 . 15664 1 134 . 1 1 15 15 PRO HB3 H 1 1.28 0.02 . 2 . . . . 15 PRO HB3 . 15664 1 135 . 1 1 15 15 PRO HD2 H 1 3.34 0.02 . 2 . . . . 15 PRO HD2 . 15664 1 136 . 1 1 15 15 PRO HD3 H 1 3.50 0.02 . 2 . . . . 15 PRO HD3 . 15664 1 137 . 1 1 15 15 PRO HG2 H 1 1.24 0.02 . 2 . . . . 15 PRO HG2 . 15664 1 138 . 1 1 15 15 PRO HG3 H 1 1.62 0.02 . 2 . . . . 15 PRO HG3 . 15664 1 139 . 1 1 15 15 PRO C C 13 176.7 0.3 . 1 . . . . 15 PRO C . 15664 1 140 . 1 1 15 15 PRO CA C 13 63.4 0.3 . 1 . . . . 15 PRO CA . 15664 1 141 . 1 1 15 15 PRO CB C 13 31.9 0.3 . 1 . . . . 15 PRO CB . 15664 1 142 . 1 1 15 15 PRO CD C 13 50.8 0.3 . 1 . . . . 15 PRO CD . 15664 1 143 . 1 1 15 15 PRO CG C 13 26.5 0.3 . 1 . . . . 15 PRO CG . 15664 1 144 . 1 1 16 16 TRP H H 1 7.75 0.02 . 1 . . . . 16 TRP H . 15664 1 145 . 1 1 16 16 TRP HA H 1 4.53 0.02 . 1 . . . . 16 TRP HA . 15664 1 146 . 1 1 16 16 TRP HB2 H 1 3.15 0.02 . 2 . . . . 16 TRP HB2 . 15664 1 147 . 1 1 16 16 TRP HB3 H 1 3.09 0.02 . 2 . . . . 16 TRP HB3 . 15664 1 148 . 1 1 16 16 TRP HD1 H 1 7.07 0.02 . 1 . . . . 16 TRP HD1 . 15664 1 149 . 1 1 16 16 TRP HE1 H 1 10.08 0.02 . 1 . . . . 16 TRP HE1 . 15664 1 150 . 1 1 16 16 TRP HE3 H 1 7.44 0.02 . 1 . . . . 16 TRP HE3 . 15664 1 151 . 1 1 16 16 TRP HH2 H 1 7.09 0.02 . 1 . . . . 16 TRP HH2 . 15664 1 152 . 1 1 16 16 TRP HZ2 H 1 7.36 0.02 . 1 . . . . 16 TRP HZ2 . 15664 1 153 . 1 1 16 16 TRP HZ3 H 1 6.99 0.02 . 1 . . . . 16 TRP HZ3 . 15664 1 154 . 1 1 16 16 TRP C C 13 175.8 0.3 . 1 . . . . 16 TRP C . 15664 1 155 . 1 1 16 16 TRP CA C 13 57.5 0.3 . 1 . . . . 16 TRP CA . 15664 1 156 . 1 1 16 16 TRP CB C 13 29.3 0.3 . 1 . . . . 16 TRP CB . 15664 1 157 . 1 1 16 16 TRP CD1 C 13 127.1 0.3 . 1 . . . . 16 TRP CD1 . 15664 1 158 . 1 1 16 16 TRP CE3 C 13 120.7 0.3 . 1 . . . . 16 TRP CE3 . 15664 1 159 . 1 1 16 16 TRP CH2 C 13 124.6 0.3 . 1 . . . . 16 TRP CH2 . 15664 1 160 . 1 1 16 16 TRP CZ2 C 13 115.6 0.3 . 1 . . . . 16 TRP CZ2 . 15664 1 161 . 1 1 16 16 TRP CZ3 C 13 122.0 0.3 . 1 . . . . 16 TRP CZ3 . 15664 1 162 . 1 1 16 16 TRP N N 15 121.3 0.3 . 1 . . . . 16 TRP N . 15664 1 163 . 1 1 16 16 TRP NE1 N 15 131.1 0.3 . 1 . . . . 16 TRP NE1 . 15664 1 164 . 1 1 17 17 ILE H H 1 7.46 0.02 . 1 . . . . 17 ILE H . 15664 1 165 . 1 1 17 17 ILE HA H 1 4.19 0.02 . 1 . . . . 17 ILE HA . 15664 1 166 . 1 1 17 17 ILE HB H 1 1.55 0.02 . 1 . . . . 17 ILE HB . 15664 1 167 . 1 1 17 17 ILE HD11 H 1 0.64 0.02 . 1 . . . . 17 ILE HD1 . 15664 1 168 . 1 1 17 17 ILE HD12 H 1 0.64 0.02 . 1 . . . . 17 ILE HD1 . 15664 1 169 . 1 1 17 17 ILE HD13 H 1 0.64 0.02 . 1 . . . . 17 ILE HD1 . 15664 1 170 . 1 1 17 17 ILE HG12 H 1 1.16 0.02 . 2 . . . . 17 ILE HG12 . 15664 1 171 . 1 1 17 17 ILE HG13 H 1 0.86 0.02 . 2 . . . . 17 ILE HG13 . 15664 1 172 . 1 1 17 17 ILE HG21 H 1 0.69 0.02 . 1 . . . . 17 ILE HG2 . 15664 1 173 . 1 1 17 17 ILE HG22 H 1 0.69 0.02 . 1 . . . . 17 ILE HG2 . 15664 1 174 . 1 1 17 17 ILE HG23 H 1 0.69 0.02 . 1 . . . . 17 ILE HG2 . 15664 1 175 . 1 1 17 17 ILE CA C 13 58.1 0.3 . 1 . . . . 17 ILE CA . 15664 1 176 . 1 1 17 17 ILE CB C 13 39.0 0.3 . 1 . . . . 17 ILE CB . 15664 1 177 . 1 1 17 17 ILE CD1 C 13 12.9 0.3 . 1 . . . . 17 ILE CD1 . 15664 1 178 . 1 1 17 17 ILE CG1 C 13 26.9 0.3 . 1 . . . . 17 ILE CG1 . 15664 1 179 . 1 1 17 17 ILE CG2 C 13 17.1 0.3 . 1 . . . . 17 ILE CG2 . 15664 1 180 . 1 1 17 17 ILE N N 15 126.9 0.3 . 1 . . . . 17 ILE N . 15664 1 181 . 1 1 18 18 PRO HA H 1 4.03 0.02 . 1 . . . . 18 PRO HA . 15664 1 182 . 1 1 18 18 PRO HB2 H 1 2.13 0.02 . 2 . . . . 18 PRO HB2 . 15664 1 183 . 1 1 18 18 PRO HB3 H 1 1.75 0.02 . 2 . . . . 18 PRO HB3 . 15664 1 184 . 1 1 18 18 PRO HD2 H 1 3.60 0.02 . 2 . . . . 18 PRO HD2 . 15664 1 185 . 1 1 18 18 PRO HD3 H 1 3.44 0.02 . 2 . . . . 18 PRO HD3 . 15664 1 186 . 1 1 18 18 PRO HG2 H 1 1.87 0.02 . 2 . . . . 18 PRO HG2 . 15664 1 187 . 1 1 18 18 PRO HG3 H 1 1.75 0.02 . 2 . . . . 18 PRO HG3 . 15664 1 188 . 1 1 18 18 PRO C C 13 177.2 0.3 . 1 . . . . 18 PRO C . 15664 1 189 . 1 1 18 18 PRO CA C 13 63.1 0.3 . 1 . . . . 18 PRO CA . 15664 1 190 . 1 1 18 18 PRO CB C 13 32.1 0.3 . 1 . . . . 18 PRO CB . 15664 1 191 . 1 1 18 18 PRO CD C 13 50.6 0.3 . 1 . . . . 18 PRO CD . 15664 1 192 . 1 1 18 18 PRO CG C 13 27.4 0.3 . 1 . . . . 18 PRO CG . 15664 1 193 . 1 1 19 19 ARG H H 1 8.17 0.02 . 1 . . . . 19 ARG H . 15664 1 194 . 1 1 19 19 ARG HA H 1 4.14 0.02 . 1 . . . . 19 ARG HA . 15664 1 195 . 1 1 19 19 ARG HB2 H 1 1.61 0.02 . 2 . . . . 19 ARG HB2 . 15664 1 196 . 1 1 19 19 ARG HB3 H 1 1.67 0.02 . 2 . . . . 19 ARG HB3 . 15664 1 197 . 1 1 19 19 ARG HD2 H 1 3.04 0.02 . 1 . . . . 19 ARG HD2 . 15664 1 198 . 1 1 19 19 ARG HG2 H 1 1.47 0.02 . 1 . . . . 19 ARG HG2 . 15664 1 199 . 1 1 19 19 ARG C C 13 176.4 0.3 . 1 . . . . 19 ARG C . 15664 1 200 . 1 1 19 19 ARG CA C 13 56.2 0.3 . 1 . . . . 19 ARG CA . 15664 1 201 . 1 1 19 19 ARG CB C 13 31.2 0.3 . 1 . . . . 19 ARG CB . 15664 1 202 . 1 1 19 19 ARG CD C 13 43.4 0.3 . 1 . . . . 19 ARG CD . 15664 1 203 . 1 1 19 19 ARG CG C 13 27.2 0.3 . 1 . . . . 19 ARG CG . 15664 1 204 . 1 1 19 19 ARG N N 15 122.3 0.3 . 1 . . . . 19 ARG N . 15664 1 205 . 1 1 20 20 ASP H H 1 8.19 0.02 . 1 . . . . 20 ASP H . 15664 1 206 . 1 1 20 20 ASP HA H 1 4.47 0.02 . 1 . . . . 20 ASP HA . 15664 1 207 . 1 1 20 20 ASP HB2 H 1 2.53 0.02 . 1 . . . . 20 ASP HB2 . 15664 1 208 . 1 1 20 20 ASP CA C 13 54.2 0.3 . 1 . . . . 20 ASP CA . 15664 1 209 . 1 1 20 20 ASP CB C 13 41.3 0.3 . 1 . . . . 20 ASP CB . 15664 1 210 . 1 1 20 20 ASP N N 15 121.9 0.3 . 1 . . . . 20 ASP N . 15664 1 211 . 1 1 21 21 HIS HA H 1 4.46 0.02 . 1 . . . . 21 HIS HA . 15664 1 212 . 1 1 21 21 HIS HB2 H 1 2.94 0.02 . 2 . . . . 21 HIS HB2 . 15664 1 213 . 1 1 21 21 HIS HB3 H 1 3.04 0.02 . 2 . . . . 21 HIS HB3 . 15664 1 214 . 1 1 21 21 HIS HD2 H 1 6.88 0.02 . 1 . . . . 21 HIS HD2 . 15664 1 215 . 1 1 21 21 HIS HE1 H 1 7.67 0.02 . 1 . . . . 21 HIS HE1 . 15664 1 216 . 1 1 21 21 HIS CA C 13 57.1 0.3 . 1 . . . . 21 HIS CA . 15664 1 217 . 1 1 21 21 HIS CB C 13 30.9 0.3 . 1 . . . . 21 HIS CB . 15664 1 218 . 1 1 21 21 HIS CD2 C 13 119.8 0.3 . 1 . . . . 21 HIS CD2 . 15664 1 219 . 1 1 21 21 HIS CE1 C 13 138.5 0.3 . 1 . . . . 21 HIS CE1 . 15664 1 220 . 1 1 22 22 SER HA H 1 4.30 0.02 . 1 . . . . 22 SER HA . 15664 1 221 . 1 1 22 22 SER HB2 H 1 3.70 0.02 . 2 . . . . 22 SER HB2 . 15664 1 222 . 1 1 22 22 SER HB3 H 1 3.77 0.02 . 2 . . . . 22 SER HB3 . 15664 1 223 . 1 1 22 22 SER CA C 13 59.1 0.3 . 1 . . . . 22 SER CA . 15664 1 224 . 1 1 22 22 SER CB C 13 64.0 0.3 . 1 . . . . 22 SER CB . 15664 1 225 . 1 1 23 23 SER HA H 1 4.35 0.02 . 1 . . . . 23 SER HA . 15664 1 226 . 1 1 23 23 SER HB2 H 1 3.79 0.02 . 1 . . . . 23 SER HB2 . 15664 1 227 . 1 1 23 23 SER C C 13 174.4 0.3 . 1 . . . . 23 SER C . 15664 1 228 . 1 1 23 23 SER CA C 13 58.6 0.3 . 1 . . . . 23 SER CA . 15664 1 229 . 1 1 23 23 SER CB C 13 64.4 0.3 . 1 . . . . 23 SER CB . 15664 1 230 . 1 1 24 24 ALA H H 1 8.07 0.02 . 1 . . . . 24 ALA H . 15664 1 231 . 1 1 24 24 ALA HA H 1 4.26 0.02 . 1 . . . . 24 ALA HA . 15664 1 232 . 1 1 24 24 ALA HB1 H 1 1.27 0.02 . 1 . . . . 24 ALA HB . 15664 1 233 . 1 1 24 24 ALA HB2 H 1 1.27 0.02 . 1 . . . . 24 ALA HB . 15664 1 234 . 1 1 24 24 ALA HB3 H 1 1.27 0.02 . 1 . . . . 24 ALA HB . 15664 1 235 . 1 1 24 24 ALA C C 13 178.1 0.3 . 1 . . . . 24 ALA C . 15664 1 236 . 1 1 24 24 ALA CA C 13 52.8 0.3 . 1 . . . . 24 ALA CA . 15664 1 237 . 1 1 24 24 ALA CB C 13 19.5 0.3 . 1 . . . . 24 ALA CB . 15664 1 238 . 1 1 24 24 ALA N N 15 126.6 0.3 . 1 . . . . 24 ALA N . 15664 1 239 . 1 1 25 25 ILE H H 1 7.98 0.02 . 1 . . . . 25 ILE H . 15664 1 240 . 1 1 25 25 ILE HA H 1 4.14 0.02 . 1 . . . . 25 ILE HA . 15664 1 241 . 1 1 25 25 ILE HB H 1 1.78 0.02 . 1 . . . . 25 ILE HB . 15664 1 242 . 1 1 25 25 ILE HD11 H 1 0.69 0.02 . 1 . . . . 25 ILE HD1 . 15664 1 243 . 1 1 25 25 ILE HD12 H 1 0.69 0.02 . 1 . . . . 25 ILE HD1 . 15664 1 244 . 1 1 25 25 ILE HD13 H 1 0.69 0.02 . 1 . . . . 25 ILE HD1 . 15664 1 245 . 1 1 25 25 ILE HG12 H 1 1.08 0.02 . 2 . . . . 25 ILE HG12 . 15664 1 246 . 1 1 25 25 ILE HG13 H 1 1.38 0.02 . 2 . . . . 25 ILE HG13 . 15664 1 247 . 1 1 25 25 ILE HG21 H 1 0.80 0.02 . 1 . . . . 25 ILE HG2 . 15664 1 248 . 1 1 25 25 ILE HG22 H 1 0.80 0.02 . 1 . . . . 25 ILE HG2 . 15664 1 249 . 1 1 25 25 ILE HG23 H 1 0.80 0.02 . 1 . . . . 25 ILE HG2 . 15664 1 250 . 1 1 25 25 ILE C C 13 176.9 0.3 . 1 . . . . 25 ILE C . 15664 1 251 . 1 1 25 25 ILE CA C 13 61.4 0.3 . 1 . . . . 25 ILE CA . 15664 1 252 . 1 1 25 25 ILE CB C 13 38.8 0.3 . 1 . . . . 25 ILE CB . 15664 1 253 . 1 1 25 25 ILE CD1 C 13 13.2 0.3 . 1 . . . . 25 ILE CD1 . 15664 1 254 . 1 1 25 25 ILE CG1 C 13 27.4 0.3 . 1 . . . . 25 ILE CG1 . 15664 1 255 . 1 1 25 25 ILE CG2 C 13 17.8 0.3 . 1 . . . . 25 ILE CG2 . 15664 1 256 . 1 1 25 25 ILE N N 15 120.6 0.3 . 1 . . . . 25 ILE N . 15664 1 257 . 1 1 26 26 THR H H 1 8.05 0.02 . 1 . . . . 26 THR H . 15664 1 258 . 1 1 26 26 THR HA H 1 4.28 0.02 . 1 . . . . 26 THR HA . 15664 1 259 . 1 1 26 26 THR HB H 1 4.17 0.02 . 1 . . . . 26 THR HB . 15664 1 260 . 1 1 26 26 THR HG21 H 1 1.09 0.02 . 1 . . . . 26 THR HG2 . 15664 1 261 . 1 1 26 26 THR HG22 H 1 1.09 0.02 . 1 . . . . 26 THR HG2 . 15664 1 262 . 1 1 26 26 THR HG23 H 1 1.09 0.02 . 1 . . . . 26 THR HG2 . 15664 1 263 . 1 1 26 26 THR C C 13 175.1 0.3 . 1 . . . . 26 THR C . 15664 1 264 . 1 1 26 26 THR CA C 13 61.8 0.3 . 1 . . . . 26 THR CA . 15664 1 265 . 1 1 26 26 THR CB C 13 70.3 0.3 . 1 . . . . 26 THR CB . 15664 1 266 . 1 1 26 26 THR CG2 C 13 21.8 0.3 . 1 . . . . 26 THR CG2 . 15664 1 267 . 1 1 26 26 THR N N 15 118.7 0.3 . 1 . . . . 26 THR N . 15664 1 268 . 1 1 27 27 GLU H H 1 8.35 0.02 . 1 . . . . 27 GLU H . 15664 1 269 . 1 1 27 27 GLU HA H 1 3.91 0.02 . 1 . . . . 27 GLU HA . 15664 1 270 . 1 1 27 27 GLU HB2 H 1 1.93 0.02 . 2 . . . . 27 GLU HB2 . 15664 1 271 . 1 1 27 27 GLU HB3 H 1 1.83 0.02 . 2 . . . . 27 GLU HB3 . 15664 1 272 . 1 1 27 27 GLU HG2 H 1 2.15 0.02 . 1 . . . . 27 GLU HG2 . 15664 1 273 . 1 1 27 27 GLU C C 13 177.4 0.3 . 1 . . . . 27 GLU C . 15664 1 274 . 1 1 27 27 GLU CA C 13 57.4 0.3 . 1 . . . . 27 GLU CA . 15664 1 275 . 1 1 27 27 GLU CB C 13 30.1 0.3 . 1 . . . . 27 GLU CB . 15664 1 276 . 1 1 27 27 GLU CG C 13 36.6 0.3 . 1 . . . . 27 GLU CG . 15664 1 277 . 1 1 27 27 GLU N N 15 123.1 0.3 . 1 . . . . 27 GLU N . 15664 1 278 . 1 1 28 28 GLU H H 1 8.15 0.02 . 1 . . . . 28 GLU H . 15664 1 279 . 1 1 28 28 GLU HA H 1 4.04 0.02 . 1 . . . . 28 GLU HA . 15664 1 280 . 1 1 28 28 GLU HB2 H 1 1.94 0.02 . 2 . . . . 28 GLU HB2 . 15664 1 281 . 1 1 28 28 GLU HB3 H 1 1.83 0.02 . 2 . . . . 28 GLU HB3 . 15664 1 282 . 1 1 28 28 GLU HG2 H 1 2.12 0.02 . 1 . . . . 28 GLU HG2 . 15664 1 283 . 1 1 28 28 GLU C C 13 177.1 0.3 . 1 . . . . 28 GLU C . 15664 1 284 . 1 1 28 28 GLU CA C 13 57.1 0.3 . 1 . . . . 28 GLU CA . 15664 1 285 . 1 1 28 28 GLU CB C 13 30.2 0.3 . 1 . . . . 28 GLU CB . 15664 1 286 . 1 1 28 28 GLU CG C 13 36.6 0.3 . 1 . . . . 28 GLU CG . 15664 1 287 . 1 1 28 28 GLU N N 15 122.1 0.3 . 1 . . . . 28 GLU N . 15664 1 288 . 1 1 29 29 GLU H H 1 7.95 0.02 . 1 . . . . 29 GLU H . 15664 1 289 . 1 1 29 29 GLU HA H 1 3.94 0.02 . 1 . . . . 29 GLU HA . 15664 1 290 . 1 1 29 29 GLU HB2 H 1 1.62 0.02 . 2 . . . . 29 GLU HB2 . 15664 1 291 . 1 1 29 29 GLU HB3 H 1 1.68 0.02 . 2 . . . . 29 GLU HB3 . 15664 1 292 . 1 1 29 29 GLU HG2 H 1 1.84 0.02 . 2 . . . . 29 GLU HG2 . 15664 1 293 . 1 1 29 29 GLU HG3 H 1 1.91 0.02 . 2 . . . . 29 GLU HG3 . 15664 1 294 . 1 1 29 29 GLU C C 13 177.2 0.3 . 1 . . . . 29 GLU C . 15664 1 295 . 1 1 29 29 GLU CA C 13 57.4 0.3 . 1 . . . . 29 GLU CA . 15664 1 296 . 1 1 29 29 GLU CB C 13 30.2 0.3 . 1 . . . . 29 GLU CB . 15664 1 297 . 1 1 29 29 GLU CG C 13 36.6 0.3 . 1 . . . . 29 GLU CG . 15664 1 298 . 1 1 29 29 GLU N N 15 122.8 0.3 . 1 . . . . 29 GLU N . 15664 1 299 . 1 1 30 30 TYR H H 1 7.89 0.02 . 1 . . . . 30 TYR H . 15664 1 300 . 1 1 30 30 TYR HA H 1 4.68 0.02 . 1 . . . . 30 TYR HA . 15664 1 301 . 1 1 30 30 TYR HB3 H 1 2.59 0.02 . 1 . . . . 30 TYR HB3 . 15664 1 302 . 1 1 30 30 TYR HD1 H 1 6.58 0.02 . 1 . . . . 30 TYR HD1 . 15664 1 303 . 1 1 30 30 TYR HE1 H 1 6.23 0.02 . 1 . . . . 30 TYR HE1 . 15664 1 304 . 1 1 30 30 TYR C C 13 177.0 0.3 . 1 . . . . 30 TYR C . 15664 1 305 . 1 1 30 30 TYR CA C 13 58.3 0.3 . 1 . . . . 30 TYR CA . 15664 1 306 . 1 1 30 30 TYR CB C 13 37.5 0.3 . 1 . . . . 30 TYR CB . 15664 1 307 . 1 1 30 30 TYR CD1 C 13 132.3 0.3 . 1 . . . . 30 TYR CD1 . 15664 1 308 . 1 1 30 30 TYR CD2 C 13 132.3 0.3 . 1 . . . . 30 TYR CD2 . 15664 1 309 . 1 1 30 30 TYR CE1 C 13 117.5 0.3 . 1 . . . . 30 TYR CE1 . 15664 1 310 . 1 1 30 30 TYR CE2 C 13 117.5 0.3 . 1 . . . . 30 TYR CE2 . 15664 1 311 . 1 1 30 30 TYR N N 15 117.9 0.3 . 1 . . . . 30 TYR N . 15664 1 312 . 1 1 31 31 ILE H H 1 7.37 0.02 . 1 . . . . 31 ILE H . 15664 1 313 . 1 1 31 31 ILE HA H 1 3.29 0.02 . 1 . . . . 31 ILE HA . 15664 1 314 . 1 1 31 31 ILE HB H 1 1.88 0.02 . 1 . . . . 31 ILE HB . 15664 1 315 . 1 1 31 31 ILE HD11 H 1 0.81 0.02 . 1 . . . . 31 ILE HD1 . 15664 1 316 . 1 1 31 31 ILE HD12 H 1 0.81 0.02 . 1 . . . . 31 ILE HD1 . 15664 1 317 . 1 1 31 31 ILE HD13 H 1 0.81 0.02 . 1 . . . . 31 ILE HD1 . 15664 1 318 . 1 1 31 31 ILE HG12 H 1 1.48 0.02 . 2 . . . . 31 ILE HG12 . 15664 1 319 . 1 1 31 31 ILE HG13 H 1 1.33 0.02 . 2 . . . . 31 ILE HG13 . 15664 1 320 . 1 1 31 31 ILE HG21 H 1 0.82 0.02 . 1 . . . . 31 ILE HG2 . 15664 1 321 . 1 1 31 31 ILE HG22 H 1 0.82 0.02 . 1 . . . . 31 ILE HG2 . 15664 1 322 . 1 1 31 31 ILE HG23 H 1 0.82 0.02 . 1 . . . . 31 ILE HG2 . 15664 1 323 . 1 1 31 31 ILE C C 13 178.3 0.3 . 1 . . . . 31 ILE C . 15664 1 324 . 1 1 31 31 ILE CA C 13 63.0 0.3 . 1 . . . . 31 ILE CA . 15664 1 325 . 1 1 31 31 ILE CB C 13 35.6 0.3 . 1 . . . . 31 ILE CB . 15664 1 326 . 1 1 31 31 ILE CD1 C 13 11.8 0.3 . 1 . . . . 31 ILE CD1 . 15664 1 327 . 1 1 31 31 ILE CG1 C 13 28.5 0.3 . 1 . . . . 31 ILE CG1 . 15664 1 328 . 1 1 31 31 ILE CG2 C 13 18.1 0.3 . 1 . . . . 31 ILE CG2 . 15664 1 329 . 1 1 31 31 ILE N N 15 119.5 0.3 . 1 . . . . 31 ILE N . 15664 1 330 . 1 1 32 32 GLY H H 1 8.74 0.02 . 1 . . . . 32 GLY H . 15664 1 331 . 1 1 32 32 GLY HA2 H 1 4.31 0.02 . 2 . . . . 32 GLY HA2 . 15664 1 332 . 1 1 32 32 GLY HA3 H 1 3.56 0.02 . 2 . . . . 32 GLY HA3 . 15664 1 333 . 1 1 32 32 GLY C C 13 174.7 0.3 . 1 . . . . 32 GLY C . 15664 1 334 . 1 1 32 32 GLY CA C 13 45.3 0.3 . 1 . . . . 32 GLY CA . 15664 1 335 . 1 1 32 32 GLY N N 15 117.6 0.3 . 1 . . . . 32 GLY N . 15664 1 336 . 1 1 33 33 SER H H 1 7.86 0.02 . 1 . . . . 33 SER H . 15664 1 337 . 1 1 33 33 SER HA H 1 4.49 0.02 . 1 . . . . 33 SER HA . 15664 1 338 . 1 1 33 33 SER HB2 H 1 3.85 0.02 . 2 . . . . 33 SER HB2 . 15664 1 339 . 1 1 33 33 SER HB3 H 1 3.74 0.02 . 2 . . . . 33 SER HB3 . 15664 1 340 . 1 1 33 33 SER C C 13 172.5 0.3 . 1 . . . . 33 SER C . 15664 1 341 . 1 1 33 33 SER CA C 13 59.1 0.3 . 1 . . . . 33 SER CA . 15664 1 342 . 1 1 33 33 SER CB C 13 64.9 0.3 . 1 . . . . 33 SER CB . 15664 1 343 . 1 1 33 33 SER N N 15 117.3 0.3 . 1 . . . . 33 SER N . 15664 1 344 . 1 1 34 34 MET H H 1 8.25 0.02 . 1 . . . . 34 MET H . 15664 1 345 . 1 1 34 34 MET HA H 1 5.34 0.02 . 1 . . . . 34 MET HA . 15664 1 346 . 1 1 34 34 MET HB2 H 1 1.78 0.02 . 2 . . . . 34 MET HB2 . 15664 1 347 . 1 1 34 34 MET HB3 H 1 1.72 0.02 . 2 . . . . 34 MET HB3 . 15664 1 348 . 1 1 34 34 MET HE1 H 1 1.80 0.02 . 1 . . . . 34 MET HE . 15664 1 349 . 1 1 34 34 MET HE2 H 1 1.80 0.02 . 1 . . . . 34 MET HE . 15664 1 350 . 1 1 34 34 MET HE3 H 1 1.80 0.02 . 1 . . . . 34 MET HE . 15664 1 351 . 1 1 34 34 MET HG2 H 1 2.32 0.02 . 2 . . . . 34 MET HG2 . 15664 1 352 . 1 1 34 34 MET HG3 H 1 2.41 0.02 . 2 . . . . 34 MET HG3 . 15664 1 353 . 1 1 34 34 MET C C 13 176.2 0.3 . 1 . . . . 34 MET C . 15664 1 354 . 1 1 34 34 MET CA C 13 53.7 0.3 . 1 . . . . 34 MET CA . 15664 1 355 . 1 1 34 34 MET CB C 13 33.6 0.3 . 1 . . . . 34 MET CB . 15664 1 356 . 1 1 34 34 MET CE C 13 16.8 0.3 . 1 . . . . 34 MET CE . 15664 1 357 . 1 1 34 34 MET CG C 13 32.2 0.3 . 1 . . . . 34 MET CG . 15664 1 358 . 1 1 34 34 MET N N 15 121.7 0.3 . 1 . . . . 34 MET N . 15664 1 359 . 1 1 35 35 ALA H H 1 9.02 0.02 . 1 . . . . 35 ALA H . 15664 1 360 . 1 1 35 35 ALA HA H 1 4.67 0.02 . 1 . . . . 35 ALA HA . 15664 1 361 . 1 1 35 35 ALA HB1 H 1 0.71 0.02 . 1 . . . . 35 ALA HB . 15664 1 362 . 1 1 35 35 ALA HB2 H 1 0.71 0.02 . 1 . . . . 35 ALA HB . 15664 1 363 . 1 1 35 35 ALA HB3 H 1 0.71 0.02 . 1 . . . . 35 ALA HB . 15664 1 364 . 1 1 35 35 ALA C C 13 174.8 0.3 . 1 . . . . 35 ALA C . 15664 1 365 . 1 1 35 35 ALA CA C 13 50.0 0.3 . 1 . . . . 35 ALA CA . 15664 1 366 . 1 1 35 35 ALA CB C 13 23.1 0.3 . 1 . . . . 35 ALA CB . 15664 1 367 . 1 1 35 35 ALA N N 15 125.0 0.3 . 1 . . . . 35 ALA N . 15664 1 368 . 1 1 36 36 LEU H H 1 8.34 0.02 . 1 . . . . 36 LEU H . 15664 1 369 . 1 1 36 36 LEU HA H 1 4.84 0.02 . 1 . . . . 36 LEU HA . 15664 1 370 . 1 1 36 36 LEU HB2 H 1 1.25 0.02 . 2 . . . . 36 LEU HB2 . 15664 1 371 . 1 1 36 36 LEU HB3 H 1 1.54 0.02 . 2 . . . . 36 LEU HB3 . 15664 1 372 . 1 1 36 36 LEU HD11 H 1 0.69 0.02 . 1 . . . . 36 LEU HD1 . 15664 1 373 . 1 1 36 36 LEU HD12 H 1 0.69 0.02 . 1 . . . . 36 LEU HD1 . 15664 1 374 . 1 1 36 36 LEU HD13 H 1 0.69 0.02 . 1 . . . . 36 LEU HD1 . 15664 1 375 . 1 1 36 36 LEU HD21 H 1 0.71 0.02 . 1 . . . . 36 LEU HD2 . 15664 1 376 . 1 1 36 36 LEU HD22 H 1 0.71 0.02 . 1 . . . . 36 LEU HD2 . 15664 1 377 . 1 1 36 36 LEU HD23 H 1 0.71 0.02 . 1 . . . . 36 LEU HD2 . 15664 1 378 . 1 1 36 36 LEU HG H 1 1.22 0.02 . 1 . . . . 36 LEU HG . 15664 1 379 . 1 1 36 36 LEU C C 13 177.1 0.3 . 1 . . . . 36 LEU C . 15664 1 380 . 1 1 36 36 LEU CA C 13 52.8 0.3 . 1 . . . . 36 LEU CA . 15664 1 381 . 1 1 36 36 LEU CB C 13 45.7 0.3 . 1 . . . . 36 LEU CB . 15664 1 382 . 1 1 36 36 LEU CD1 C 13 24.3 0.3 . 1 . . . . 36 LEU CD1 . 15664 1 383 . 1 1 36 36 LEU CD2 C 13 26.1 0.3 . 1 . . . . 36 LEU CD2 . 15664 1 384 . 1 1 36 36 LEU CG C 13 27.4 0.3 . 1 . . . . 36 LEU CG . 15664 1 385 . 1 1 36 36 LEU N N 15 123.1 0.3 . 1 . . . . 36 LEU N . 15664 1 386 . 1 1 37 37 ILE H H 1 9.00 0.02 . 1 . . . . 37 ILE H . 15664 1 387 . 1 1 37 37 ILE HA H 1 4.07 0.02 . 1 . . . . 37 ILE HA . 15664 1 388 . 1 1 37 37 ILE HB H 1 2.17 0.02 . 1 . . . . 37 ILE HB . 15664 1 389 . 1 1 37 37 ILE HD11 H 1 0.22 0.02 . 1 . . . . 37 ILE HD1 . 15664 1 390 . 1 1 37 37 ILE HD12 H 1 0.22 0.02 . 1 . . . . 37 ILE HD1 . 15664 1 391 . 1 1 37 37 ILE HD13 H 1 0.22 0.02 . 1 . . . . 37 ILE HD1 . 15664 1 392 . 1 1 37 37 ILE HG12 H 1 0.68 0.02 . 2 . . . . 37 ILE HG12 . 15664 1 393 . 1 1 37 37 ILE HG13 H 1 1.35 0.02 . 2 . . . . 37 ILE HG13 . 15664 1 394 . 1 1 37 37 ILE HG21 H 1 0.56 0.02 . 1 . . . . 37 ILE HG2 . 15664 1 395 . 1 1 37 37 ILE HG22 H 1 0.56 0.02 . 1 . . . . 37 ILE HG2 . 15664 1 396 . 1 1 37 37 ILE HG23 H 1 0.56 0.02 . 1 . . . . 37 ILE HG2 . 15664 1 397 . 1 1 37 37 ILE C C 13 177.5 0.3 . 1 . . . . 37 ILE C . 15664 1 398 . 1 1 37 37 ILE CA C 13 59.9 0.3 . 1 . . . . 37 ILE CA . 15664 1 399 . 1 1 37 37 ILE CB C 13 34.4 0.3 . 1 . . . . 37 ILE CB . 15664 1 400 . 1 1 37 37 ILE CD1 C 13 10.1 0.3 . 1 . . . . 37 ILE CD1 . 15664 1 401 . 1 1 37 37 ILE CG1 C 13 26.8 0.3 . 1 . . . . 37 ILE CG1 . 15664 1 402 . 1 1 37 37 ILE CG2 C 13 17.9 0.3 . 1 . . . . 37 ILE CG2 . 15664 1 403 . 1 1 37 37 ILE N N 15 126.3 0.3 . 1 . . . . 37 ILE N . 15664 1 404 . 1 1 38 38 THR H H 1 8.71 0.02 . 1 . . . . 38 THR H . 15664 1 405 . 1 1 38 38 THR HA H 1 4.41 0.02 . 1 . . . . 38 THR HA . 15664 1 406 . 1 1 38 38 THR HB H 1 4.23 0.02 . 1 . . . . 38 THR HB . 15664 1 407 . 1 1 38 38 THR HG21 H 1 1.08 0.02 . 1 . . . . 38 THR HG2 . 15664 1 408 . 1 1 38 38 THR HG22 H 1 1.08 0.02 . 1 . . . . 38 THR HG2 . 15664 1 409 . 1 1 38 38 THR HG23 H 1 1.08 0.02 . 1 . . . . 38 THR HG2 . 15664 1 410 . 1 1 38 38 THR C C 13 177.2 0.3 . 1 . . . . 38 THR C . 15664 1 411 . 1 1 38 38 THR CA C 13 62.6 0.3 . 1 . . . . 38 THR CA . 15664 1 412 . 1 1 38 38 THR CB C 13 68.3 0.3 . 1 . . . . 38 THR CB . 15664 1 413 . 1 1 38 38 THR CG2 C 13 23.4 0.3 . 1 . . . . 38 THR CG2 . 15664 1 414 . 1 1 38 38 THR N N 15 124.1 0.3 . 1 . . . . 38 THR N . 15664 1 415 . 1 1 39 39 GLY H H 1 7.84 0.02 . 1 . . . . 39 GLY H . 15664 1 416 . 1 1 39 39 GLY HA2 H 1 4.29 0.02 . 2 . . . . 39 GLY HA2 . 15664 1 417 . 1 1 39 39 GLY HA3 H 1 3.67 0.02 . 2 . . . . 39 GLY HA3 . 15664 1 418 . 1 1 39 39 GLY C C 13 171.0 0.3 . 1 . . . . 39 GLY C . 15664 1 419 . 1 1 39 39 GLY CA C 13 44.9 0.3 . 1 . . . . 39 GLY CA . 15664 1 420 . 1 1 39 39 GLY N N 15 111.7 0.3 . 1 . . . . 39 GLY N . 15664 1 421 . 1 1 40 40 HIS H H 1 7.98 0.02 . 1 . . . . 40 HIS H . 15664 1 422 . 1 1 40 40 HIS HA H 1 4.18 0.02 . 1 . . . . 40 HIS HA . 15664 1 423 . 1 1 40 40 HIS HB3 H 1 3.04 0.02 . 1 . . . . 40 HIS HB3 . 15664 1 424 . 1 1 40 40 HIS HD2 H 1 6.96 0.02 . 1 . . . . 40 HIS HD2 . 15664 1 425 . 1 1 40 40 HIS HE1 H 1 7.86 0.02 . 1 . . . . 40 HIS HE1 . 15664 1 426 . 1 1 40 40 HIS C C 13 177.5 0.3 . 1 . . . . 40 HIS C . 15664 1 427 . 1 1 40 40 HIS CA C 13 60.7 0.3 . 1 . . . . 40 HIS CA . 15664 1 428 . 1 1 40 40 HIS CB C 13 31.8 0.3 . 1 . . . . 40 HIS CB . 15664 1 429 . 1 1 40 40 HIS CD2 C 13 119.2 0.3 . 1 . . . . 40 HIS CD2 . 15664 1 430 . 1 1 40 40 HIS CE1 C 13 137.6 0.3 . 1 . . . . 40 HIS CE1 . 15664 1 431 . 1 1 40 40 HIS N N 15 115.0 0.3 . 1 . . . . 40 HIS N . 15664 1 432 . 1 1 41 41 GLN H H 1 7.21 0.02 . 1 . . . . 41 GLN H . 15664 1 433 . 1 1 41 41 GLN HA H 1 4.96 0.02 . 1 . . . . 41 GLN HA . 15664 1 434 . 1 1 41 41 GLN HB2 H 1 1.83 0.02 . 2 . . . . 41 GLN HB2 . 15664 1 435 . 1 1 41 41 GLN HB3 H 1 1.87 0.02 . 2 . . . . 41 GLN HB3 . 15664 1 436 . 1 1 41 41 GLN HE21 H 1 7.35 0.02 . 1 . . . . 41 GLN HE21 . 15664 1 437 . 1 1 41 41 GLN HE22 H 1 6.69 0.02 . 1 . . . . 41 GLN HE22 . 15664 1 438 . 1 1 41 41 GLN HG2 H 1 2.00 0.02 . 2 . . . . 41 GLN HG2 . 15664 1 439 . 1 1 41 41 GLN HG3 H 1 2.05 0.02 . 2 . . . . 41 GLN HG3 . 15664 1 440 . 1 1 41 41 GLN C C 13 174.0 0.3 . 1 . . . . 41 GLN C . 15664 1 441 . 1 1 41 41 GLN CA C 13 55.1 0.3 . 1 . . . . 41 GLN CA . 15664 1 442 . 1 1 41 41 GLN CB C 13 32.3 0.3 . 1 . . . . 41 GLN CB . 15664 1 443 . 1 1 41 41 GLN CD C 13 181.0 0.3 . 1 . . . . 41 GLN CD . 15664 1 444 . 1 1 41 41 GLN CG C 13 33.9 0.3 . 1 . . . . 41 GLN CG . 15664 1 445 . 1 1 41 41 GLN N N 15 115.3 0.3 . 1 . . . . 41 GLN N . 15664 1 446 . 1 1 41 41 GLN NE2 N 15 112.8 0.3 . 1 . . . . 41 GLN NE2 . 15664 1 447 . 1 1 42 42 ALA H H 1 8.66 0.02 . 1 . . . . 42 ALA H . 15664 1 448 . 1 1 42 42 ALA HA H 1 5.03 0.02 . 1 . . . . 42 ALA HA . 15664 1 449 . 1 1 42 42 ALA HB1 H 1 1.72 0.02 . 1 . . . . 42 ALA HB . 15664 1 450 . 1 1 42 42 ALA HB2 H 1 1.72 0.02 . 1 . . . . 42 ALA HB . 15664 1 451 . 1 1 42 42 ALA HB3 H 1 1.72 0.02 . 1 . . . . 42 ALA HB . 15664 1 452 . 1 1 42 42 ALA C C 13 176.2 0.3 . 1 . . . . 42 ALA C . 15664 1 453 . 1 1 42 42 ALA CA C 13 51.7 0.3 . 1 . . . . 42 ALA CA . 15664 1 454 . 1 1 42 42 ALA CB C 13 25.9 0.3 . 1 . . . . 42 ALA CB . 15664 1 455 . 1 1 42 42 ALA N N 15 125.2 0.3 . 1 . . . . 42 ALA N . 15664 1 456 . 1 1 43 43 THR H H 1 7.76 0.02 . 1 . . . . 43 THR H . 15664 1 457 . 1 1 43 43 THR HA H 1 4.30 0.02 . 1 . . . . 43 THR HA . 15664 1 458 . 1 1 43 43 THR HB H 1 4.31 0.02 . 1 . . . . 43 THR HB . 15664 1 459 . 1 1 43 43 THR HG21 H 1 1.12 0.02 . 1 . . . . 43 THR HG2 . 15664 1 460 . 1 1 43 43 THR HG22 H 1 1.12 0.02 . 1 . . . . 43 THR HG2 . 15664 1 461 . 1 1 43 43 THR HG23 H 1 1.12 0.02 . 1 . . . . 43 THR HG2 . 15664 1 462 . 1 1 43 43 THR C C 13 174.8 0.3 . 1 . . . . 43 THR C . 15664 1 463 . 1 1 43 43 THR CA C 13 59.5 0.3 . 1 . . . . 43 THR CA . 15664 1 464 . 1 1 43 43 THR CB C 13 72.8 0.3 . 1 . . . . 43 THR CB . 15664 1 465 . 1 1 43 43 THR CG2 C 13 23.3 0.3 . 1 . . . . 43 THR CG2 . 15664 1 466 . 1 1 43 43 THR N N 15 110.7 0.3 . 1 . . . . 43 THR N . 15664 1 467 . 1 1 44 44 SER H H 1 9.44 0.02 . 1 . . . . 44 SER H . 15664 1 468 . 1 1 44 44 SER HA H 1 4.05 0.02 . 1 . . . . 44 SER HA . 15664 1 469 . 1 1 44 44 SER HB2 H 1 3.61 0.02 . 1 . . . . 44 SER HB2 . 15664 1 470 . 1 1 44 44 SER C C 13 177.9 0.3 . 1 . . . . 44 SER C . 15664 1 471 . 1 1 44 44 SER CA C 13 60.6 0.3 . 1 . . . . 44 SER CA . 15664 1 472 . 1 1 44 44 SER CB C 13 62.6 0.3 . 1 . . . . 44 SER CB . 15664 1 473 . 1 1 44 44 SER N N 15 119.1 0.3 . 1 . . . . 44 SER N . 15664 1 474 . 1 1 45 45 GLY H H 1 9.11 0.02 . 1 . . . . 45 GLY H . 15664 1 475 . 1 1 45 45 GLY HA2 H 1 3.55 0.02 . 2 . . . . 45 GLY HA2 . 15664 1 476 . 1 1 45 45 GLY HA3 H 1 4.11 0.02 . 2 . . . . 45 GLY HA3 . 15664 1 477 . 1 1 45 45 GLY C C 13 173.8 0.3 . 1 . . . . 45 GLY C . 15664 1 478 . 1 1 45 45 GLY CA C 13 45.7 0.3 . 1 . . . . 45 GLY CA . 15664 1 479 . 1 1 45 45 GLY N N 15 119.0 0.3 . 1 . . . . 45 GLY N . 15664 1 480 . 1 1 46 46 ASN H H 1 8.40 0.02 . 1 . . . . 46 ASN H . 15664 1 481 . 1 1 46 46 ASN HA H 1 5.09 0.02 . 1 . . . . 46 ASN HA . 15664 1 482 . 1 1 46 46 ASN HB2 H 1 2.53 0.02 . 2 . . . . 46 ASN HB2 . 15664 1 483 . 1 1 46 46 ASN HB3 H 1 2.58 0.02 . 2 . . . . 46 ASN HB3 . 15664 1 484 . 1 1 46 46 ASN HD21 H 1 6.77 0.02 . 1 . . . . 46 ASN HD21 . 15664 1 485 . 1 1 46 46 ASN HD22 H 1 7.21 0.02 . 1 . . . . 46 ASN HD22 . 15664 1 486 . 1 1 46 46 ASN CA C 13 51.6 0.3 . 1 . . . . 46 ASN CA . 15664 1 487 . 1 1 46 46 ASN CB C 13 39.8 0.3 . 1 . . . . 46 ASN CB . 15664 1 488 . 1 1 46 46 ASN CG C 13 178.9 0.3 . 1 . . . . 46 ASN CG . 15664 1 489 . 1 1 46 46 ASN N N 15 120.4 0.3 . 1 . . . . 46 ASN N . 15664 1 490 . 1 1 46 46 ASN ND2 N 15 115.4 0.3 . 1 . . . . 46 ASN ND2 . 15664 1 491 . 1 1 47 47 PRO HA H 1 4.78 0.02 . 1 . . . . 47 PRO HA . 15664 1 492 . 1 1 47 47 PRO HB2 H 1 2.29 0.02 . 2 . . . . 47 PRO HB2 . 15664 1 493 . 1 1 47 47 PRO HB3 H 1 1.80 0.02 . 2 . . . . 47 PRO HB3 . 15664 1 494 . 1 1 47 47 PRO HD2 H 1 3.44 0.02 . 2 . . . . 47 PRO HD2 . 15664 1 495 . 1 1 47 47 PRO HD3 H 1 3.60 0.02 . 2 . . . . 47 PRO HD3 . 15664 1 496 . 1 1 47 47 PRO HG2 H 1 1.76 0.02 . 2 . . . . 47 PRO HG2 . 15664 1 497 . 1 1 47 47 PRO HG3 H 1 1.67 0.02 . 2 . . . . 47 PRO HG3 . 15664 1 498 . 1 1 47 47 PRO C C 13 176.9 0.3 . 1 . . . . 47 PRO C . 15664 1 499 . 1 1 47 47 PRO CA C 13 63.0 0.3 . 1 . . . . 47 PRO CA . 15664 1 500 . 1 1 47 47 PRO CB C 13 34.6 0.3 . 1 . . . . 47 PRO CB . 15664 1 501 . 1 1 47 47 PRO CD C 13 50.5 0.3 . 1 . . . . 47 PRO CD . 15664 1 502 . 1 1 47 47 PRO CG C 13 26.7 0.3 . 1 . . . . 47 PRO CG . 15664 1 503 . 1 1 48 48 CYS H H 1 8.79 0.02 . 1 . . . . 48 CYS H . 15664 1 504 . 1 1 48 48 CYS HA H 1 5.06 0.02 . 1 . . . . 48 CYS HA . 15664 1 505 . 1 1 48 48 CYS HB2 H 1 2.85 0.02 . 2 . . . . 48 CYS HB2 . 15664 1 506 . 1 1 48 48 CYS HB3 H 1 3.41 0.02 . 2 . . . . 48 CYS HB3 . 15664 1 507 . 1 1 48 48 CYS C C 13 172.5 0.3 . 1 . . . . 48 CYS C . 15664 1 508 . 1 1 48 48 CYS CA C 13 55.8 0.3 . 1 . . . . 48 CYS CA . 15664 1 509 . 1 1 48 48 CYS CB C 13 32.7 0.3 . 1 . . . . 48 CYS CB . 15664 1 510 . 1 1 48 48 CYS N N 15 114.3 0.3 . 1 . . . . 48 CYS N . 15664 1 511 . 1 1 49 49 GLU H H 1 8.65 0.02 . 1 . . . . 49 GLU H . 15664 1 512 . 1 1 49 49 GLU HA H 1 4.62 0.02 . 1 . . . . 49 GLU HA . 15664 1 513 . 1 1 49 49 GLU HB2 H 1 1.87 0.02 . 1 . . . . 49 GLU HB2 . 15664 1 514 . 1 1 49 49 GLU HG2 H 1 2.24 0.02 . 1 . . . . 49 GLU HG2 . 15664 1 515 . 1 1 49 49 GLU C C 13 176.8 0.3 . 1 . . . . 49 GLU C . 15664 1 516 . 1 1 49 49 GLU CA C 13 58.1 0.3 . 1 . . . . 49 GLU CA . 15664 1 517 . 1 1 49 49 GLU CB C 13 31.7 0.3 . 1 . . . . 49 GLU CB . 15664 1 518 . 1 1 49 49 GLU CG C 13 38.3 0.3 . 1 . . . . 49 GLU CG . 15664 1 519 . 1 1 49 49 GLU N N 15 120.2 0.3 . 1 . . . . 49 GLU N . 15664 1 520 . 1 1 50 50 GLY H H 1 8.83 0.02 . 1 . . . . 50 GLY H . 15664 1 521 . 1 1 50 50 GLY HA2 H 1 3.36 0.02 . 2 . . . . 50 GLY HA2 . 15664 1 522 . 1 1 50 50 GLY HA3 H 1 4.99 0.02 . 2 . . . . 50 GLY HA3 . 15664 1 523 . 1 1 50 50 GLY C C 13 171.2 0.3 . 1 . . . . 50 GLY C . 15664 1 524 . 1 1 50 50 GLY CA C 13 45.4 0.3 . 1 . . . . 50 GLY CA . 15664 1 525 . 1 1 50 50 GLY N N 15 111.8 0.3 . 1 . . . . 50 GLY N . 15664 1 526 . 1 1 51 51 LYS H H 1 8.98 0.02 . 1 . . . . 51 LYS H . 15664 1 527 . 1 1 51 51 LYS HA H 1 5.00 0.02 . 1 . . . . 51 LYS HA . 15664 1 528 . 1 1 51 51 LYS HB3 H 1 1.37 0.02 . 1 . . . . 51 LYS HB3 . 15664 1 529 . 1 1 51 51 LYS HD2 H 1 1.41 0.02 . 1 . . . . 51 LYS HD2 . 15664 1 530 . 1 1 51 51 LYS HE2 H 1 2.67 0.02 . 1 . . . . 51 LYS HE2 . 15664 1 531 . 1 1 51 51 LYS HG2 H 1 0.89 0.02 . 1 . . . . 51 LYS HG2 . 15664 1 532 . 1 1 51 51 LYS C C 13 175.1 0.3 . 1 . . . . 51 LYS C . 15664 1 533 . 1 1 51 51 LYS CA C 13 54.6 0.3 . 1 . . . . 51 LYS CA . 15664 1 534 . 1 1 51 51 LYS CB C 13 37.1 0.3 . 1 . . . . 51 LYS CB . 15664 1 535 . 1 1 51 51 LYS CD C 13 30.3 0.3 . 1 . . . . 51 LYS CD . 15664 1 536 . 1 1 51 51 LYS CE C 13 42.2 0.3 . 1 . . . . 51 LYS CE . 15664 1 537 . 1 1 51 51 LYS CG C 13 24.4 0.3 . 1 . . . . 51 LYS CG . 15664 1 538 . 1 1 51 51 LYS N N 15 119.7 0.3 . 1 . . . . 51 LYS N . 15664 1 539 . 1 1 52 52 LEU H H 1 8.84 0.02 . 1 . . . . 52 LEU H . 15664 1 540 . 1 1 52 52 LEU HA H 1 4.57 0.02 . 1 . . . . 52 LEU HA . 15664 1 541 . 1 1 52 52 LEU HB2 H 1 1.36 0.02 . 1 . . . . 52 LEU HB2 . 15664 1 542 . 1 1 52 52 LEU HD11 H 1 0.39 0.02 . 1 . . . . 52 LEU HD1 . 15664 1 543 . 1 1 52 52 LEU HD12 H 1 0.39 0.02 . 1 . . . . 52 LEU HD1 . 15664 1 544 . 1 1 52 52 LEU HD13 H 1 0.39 0.02 . 1 . . . . 52 LEU HD1 . 15664 1 545 . 1 1 52 52 LEU HD21 H 1 0.28 0.02 . 1 . . . . 52 LEU HD2 . 15664 1 546 . 1 1 52 52 LEU HD22 H 1 0.28 0.02 . 1 . . . . 52 LEU HD2 . 15664 1 547 . 1 1 52 52 LEU HD23 H 1 0.28 0.02 . 1 . . . . 52 LEU HD2 . 15664 1 548 . 1 1 52 52 LEU HG H 1 1.32 0.02 . 1 . . . . 52 LEU HG . 15664 1 549 . 1 1 52 52 LEU C C 13 174.8 0.3 . 1 . . . . 52 LEU C . 15664 1 550 . 1 1 52 52 LEU CA C 13 54.3 0.3 . 1 . . . . 52 LEU CA . 15664 1 551 . 1 1 52 52 LEU CB C 13 45.7 0.3 . 1 . . . . 52 LEU CB . 15664 1 552 . 1 1 52 52 LEU CD1 C 13 26.4 0.3 . 1 . . . . 52 LEU CD1 . 15664 1 553 . 1 1 52 52 LEU CD2 C 13 26.4 0.3 . 1 . . . . 52 LEU CD2 . 15664 1 554 . 1 1 52 52 LEU CG C 13 26.7 0.3 . 1 . . . . 52 LEU CG . 15664 1 555 . 1 1 52 52 LEU N N 15 128.5 0.3 . 1 . . . . 52 LEU N . 15664 1 556 . 1 1 53 53 THR H H 1 8.46 0.02 . 1 . . . . 53 THR H . 15664 1 557 . 1 1 53 53 THR HA H 1 4.93 0.02 . 1 . . . . 53 THR HA . 15664 1 558 . 1 1 53 53 THR HB H 1 3.78 0.02 . 1 . . . . 53 THR HB . 15664 1 559 . 1 1 53 53 THR HG21 H 1 1.06 0.02 . 1 . . . . 53 THR HG2 . 15664 1 560 . 1 1 53 53 THR HG22 H 1 1.06 0.02 . 1 . . . . 53 THR HG2 . 15664 1 561 . 1 1 53 53 THR HG23 H 1 1.06 0.02 . 1 . . . . 53 THR HG2 . 15664 1 562 . 1 1 53 53 THR C C 13 175.2 0.3 . 1 . . . . 53 THR C . 15664 1 563 . 1 1 53 53 THR CA C 13 61.6 0.3 . 1 . . . . 53 THR CA . 15664 1 564 . 1 1 53 53 THR CB C 13 69.7 0.3 . 1 . . . . 53 THR CB . 15664 1 565 . 1 1 53 53 THR CG2 C 13 21.3 0.3 . 1 . . . . 53 THR CG2 . 15664 1 566 . 1 1 53 53 THR N N 15 121.1 0.3 . 1 . . . . 53 THR N . 15664 1 567 . 1 1 54 54 ASP H H 1 8.93 0.02 . 1 . . . . 54 ASP H . 15664 1 568 . 1 1 54 54 ASP HA H 1 4.56 0.02 . 1 . . . . 54 ASP HA . 15664 1 569 . 1 1 54 54 ASP HB2 H 1 3.43 0.02 . 2 . . . . 54 ASP HB2 . 15664 1 570 . 1 1 54 54 ASP HB3 H 1 2.47 0.02 . 2 . . . . 54 ASP HB3 . 15664 1 571 . 1 1 54 54 ASP C C 13 178.7 0.3 . 1 . . . . 54 ASP C . 15664 1 572 . 1 1 54 54 ASP CA C 13 53.0 0.3 . 1 . . . . 54 ASP CA . 15664 1 573 . 1 1 54 54 ASP CB C 13 42.3 0.3 . 1 . . . . 54 ASP CB . 15664 1 574 . 1 1 54 54 ASP N N 15 128.2 0.3 . 1 . . . . 54 ASP N . 15664 1 575 . 1 1 55 55 GLN H H 1 8.83 0.02 . 1 . . . . 55 GLN H . 15664 1 576 . 1 1 55 55 GLN HA H 1 3.97 0.02 . 1 . . . . 55 GLN HA . 15664 1 577 . 1 1 55 55 GLN HB2 H 1 1.62 0.02 . 2 . . . . 55 GLN HB2 . 15664 1 578 . 1 1 55 55 GLN HB3 H 1 1.73 0.02 . 2 . . . . 55 GLN HB3 . 15664 1 579 . 1 1 55 55 GLN HE21 H 1 7.23 0.02 . 1 . . . . 55 GLN HE21 . 15664 1 580 . 1 1 55 55 GLN HE22 H 1 6.71 0.02 . 1 . . . . 55 GLN HE22 . 15664 1 581 . 1 1 55 55 GLN HG2 H 1 1.03 0.02 . 2 . . . . 55 GLN HG2 . 15664 1 582 . 1 1 55 55 GLN HG3 H 1 1.49 0.02 . 2 . . . . 55 GLN HG3 . 15664 1 583 . 1 1 55 55 GLN C C 13 176.2 0.3 . 1 . . . . 55 GLN C . 15664 1 584 . 1 1 55 55 GLN CA C 13 57.8 0.3 . 1 . . . . 55 GLN CA . 15664 1 585 . 1 1 55 55 GLN CB C 13 28.0 0.3 . 1 . . . . 55 GLN CB . 15664 1 586 . 1 1 55 55 GLN CD C 13 180.8 0.3 . 1 . . . . 55 GLN CD . 15664 1 587 . 1 1 55 55 GLN CG C 13 32.5 0.3 . 1 . . . . 55 GLN CG . 15664 1 588 . 1 1 55 55 GLN N N 15 117.4 0.3 . 1 . . . . 55 GLN N . 15664 1 589 . 1 1 55 55 GLN NE2 N 15 114.5 0.3 . 1 . . . . 55 GLN NE2 . 15664 1 590 . 1 1 56 56 PHE H H 1 8.25 0.02 . 1 . . . . 56 PHE H . 15664 1 591 . 1 1 56 56 PHE HA H 1 4.68 0.02 . 1 . . . . 56 PHE HA . 15664 1 592 . 1 1 56 56 PHE HB2 H 1 3.44 0.02 . 2 . . . . 56 PHE HB2 . 15664 1 593 . 1 1 56 56 PHE HB3 H 1 2.92 0.02 . 2 . . . . 56 PHE HB3 . 15664 1 594 . 1 1 56 56 PHE HD1 H 1 7.15 0.02 . 1 . . . . 56 PHE HD1 . 15664 1 595 . 1 1 56 56 PHE HE1 H 1 7.24 0.02 . 1 . . . . 56 PHE HE1 . 15664 1 596 . 1 1 56 56 PHE HZ H 1 6.95 0.02 . 1 . . . . 56 PHE HZ . 15664 1 597 . 1 1 56 56 PHE C C 13 176.8 0.3 . 1 . . . . 56 PHE C . 15664 1 598 . 1 1 56 56 PHE CA C 13 56.9 0.3 . 1 . . . . 56 PHE CA . 15664 1 599 . 1 1 56 56 PHE CB C 13 39.0 0.3 . 1 . . . . 56 PHE CB . 15664 1 600 . 1 1 56 56 PHE CD1 C 13 131.7 0.3 . 1 . . . . 56 PHE CD1 . 15664 1 601 . 1 1 56 56 PHE CD2 C 13 131.7 0.3 . 1 . . . . 56 PHE CD2 . 15664 1 602 . 1 1 56 56 PHE CE1 C 13 131.9 0.3 . 1 . . . . 56 PHE CE1 . 15664 1 603 . 1 1 56 56 PHE CE2 C 13 131.9 0.3 . 1 . . . . 56 PHE CE2 . 15664 1 604 . 1 1 56 56 PHE CZ C 13 130.6 0.3 . 1 . . . . 56 PHE CZ . 15664 1 605 . 1 1 56 56 PHE N N 15 121.3 0.3 . 1 . . . . 56 PHE N . 15664 1 606 . 1 1 57 57 GLY H H 1 8.07 0.02 . 1 . . . . 57 GLY H . 15664 1 607 . 1 1 57 57 GLY HA2 H 1 4.13 0.02 . 2 . . . . 57 GLY HA2 . 15664 1 608 . 1 1 57 57 GLY HA3 H 1 3.36 0.02 . 2 . . . . 57 GLY HA3 . 15664 1 609 . 1 1 57 57 GLY C C 13 174.7 0.3 . 1 . . . . 57 GLY C . 15664 1 610 . 1 1 57 57 GLY CA C 13 45.5 0.3 . 1 . . . . 57 GLY CA . 15664 1 611 . 1 1 57 57 GLY N N 15 109.9 0.3 . 1 . . . . 57 GLY N . 15664 1 612 . 1 1 58 58 GLN H H 1 8.41 0.02 . 1 . . . . 58 GLN H . 15664 1 613 . 1 1 58 58 GLN HA H 1 4.22 0.02 . 1 . . . . 58 GLN HA . 15664 1 614 . 1 1 58 58 GLN HB2 H 1 2.30 0.02 . 2 . . . . 58 GLN HB2 . 15664 1 615 . 1 1 58 58 GLN HB3 H 1 1.97 0.02 . 2 . . . . 58 GLN HB3 . 15664 1 616 . 1 1 58 58 GLN HE21 H 1 7.73 0.02 . 1 . . . . 58 GLN HE21 . 15664 1 617 . 1 1 58 58 GLN HE22 H 1 6.82 0.02 . 1 . . . . 58 GLN HE22 . 15664 1 618 . 1 1 58 58 GLN HG2 H 1 2.19 0.02 . 2 . . . . 58 GLN HG2 . 15664 1 619 . 1 1 58 58 GLN HG3 H 1 2.05 0.02 . 2 . . . . 58 GLN HG3 . 15664 1 620 . 1 1 58 58 GLN C C 13 175.4 0.3 . 1 . . . . 58 GLN C . 15664 1 621 . 1 1 58 58 GLN CA C 13 55.1 0.3 . 1 . . . . 58 GLN CA . 15664 1 622 . 1 1 58 58 GLN CB C 13 29.0 0.3 . 1 . . . . 58 GLN CB . 15664 1 623 . 1 1 58 58 GLN CD C 13 180.8 0.3 . 1 . . . . 58 GLN CD . 15664 1 624 . 1 1 58 58 GLN CG C 13 34.2 0.3 . 1 . . . . 58 GLN CG . 15664 1 625 . 1 1 58 58 GLN N N 15 123.1 0.3 . 1 . . . . 58 GLN N . 15664 1 626 . 1 1 58 58 GLN NE2 N 15 114.4 0.3 . 1 . . . . 58 GLN NE2 . 15664 1 627 . 1 1 59 59 ILE H H 1 8.14 0.02 . 1 . . . . 59 ILE H . 15664 1 628 . 1 1 59 59 ILE HA H 1 4.50 0.02 . 1 . . . . 59 ILE HA . 15664 1 629 . 1 1 59 59 ILE HB H 1 1.45 0.02 . 1 . . . . 59 ILE HB . 15664 1 630 . 1 1 59 59 ILE HD11 H 1 0.68 0.02 . 1 . . . . 59 ILE HD1 . 15664 1 631 . 1 1 59 59 ILE HD12 H 1 0.68 0.02 . 1 . . . . 59 ILE HD1 . 15664 1 632 . 1 1 59 59 ILE HD13 H 1 0.68 0.02 . 1 . . . . 59 ILE HD1 . 15664 1 633 . 1 1 59 59 ILE HG12 H 1 0.95 0.02 . 2 . . . . 59 ILE HG12 . 15664 1 634 . 1 1 59 59 ILE HG13 H 1 1.39 0.02 . 2 . . . . 59 ILE HG13 . 15664 1 635 . 1 1 59 59 ILE HG21 H 1 0.35 0.02 . 1 . . . . 59 ILE HG2 . 15664 1 636 . 1 1 59 59 ILE HG22 H 1 0.35 0.02 . 1 . . . . 59 ILE HG2 . 15664 1 637 . 1 1 59 59 ILE HG23 H 1 0.35 0.02 . 1 . . . . 59 ILE HG2 . 15664 1 638 . 1 1 59 59 ILE C C 13 176.2 0.3 . 1 . . . . 59 ILE C . 15664 1 639 . 1 1 59 59 ILE CA C 13 60.7 0.3 . 1 . . . . 59 ILE CA . 15664 1 640 . 1 1 59 59 ILE CB C 13 38.9 0.3 . 1 . . . . 59 ILE CB . 15664 1 641 . 1 1 59 59 ILE CD1 C 13 13.5 0.3 . 1 . . . . 59 ILE CD1 . 15664 1 642 . 1 1 59 59 ILE CG1 C 13 28.2 0.3 . 1 . . . . 59 ILE CG1 . 15664 1 643 . 1 1 59 59 ILE CG2 C 13 18.5 0.3 . 1 . . . . 59 ILE CG2 . 15664 1 644 . 1 1 59 59 ILE N N 15 125.0 0.3 . 1 . . . . 59 ILE N . 15664 1 645 . 1 1 60 60 HIS H H 1 9.00 0.02 . 1 . . . . 60 HIS H . 15664 1 646 . 1 1 60 60 HIS HA H 1 4.58 0.02 . 1 . . . . 60 HIS HA . 15664 1 647 . 1 1 60 60 HIS HB2 H 1 2.49 0.02 . 2 . . . . 60 HIS HB2 . 15664 1 648 . 1 1 60 60 HIS HB3 H 1 2.71 0.02 . 2 . . . . 60 HIS HB3 . 15664 1 649 . 1 1 60 60 HIS HD2 H 1 6.70 0.02 . 1 . . . . 60 HIS HD2 . 15664 1 650 . 1 1 60 60 HIS HE1 H 1 7.67 0.02 . 1 . . . . 60 HIS HE1 . 15664 1 651 . 1 1 60 60 HIS C C 13 174.0 0.3 . 1 . . . . 60 HIS C . 15664 1 652 . 1 1 60 60 HIS CA C 13 54.8 0.3 . 1 . . . . 60 HIS CA . 15664 1 653 . 1 1 60 60 HIS CB C 13 33.6 0.3 . 1 . . . . 60 HIS CB . 15664 1 654 . 1 1 60 60 HIS CD2 C 13 118.9 0.3 . 1 . . . . 60 HIS CD2 . 15664 1 655 . 1 1 60 60 HIS CE1 C 13 139.0 0.3 . 1 . . . . 60 HIS CE1 . 15664 1 656 . 1 1 60 60 HIS N N 15 127.8 0.3 . 1 . . . . 60 HIS N . 15664 1 657 . 1 1 61 61 TYR H H 1 8.58 0.02 . 1 . . . . 61 TYR H . 15664 1 658 . 1 1 61 61 TYR HA H 1 5.21 0.02 . 1 . . . . 61 TYR HA . 15664 1 659 . 1 1 61 61 TYR HB2 H 1 2.75 0.02 . 2 . . . . 61 TYR HB2 . 15664 1 660 . 1 1 61 61 TYR HB3 H 1 2.67 0.02 . 2 . . . . 61 TYR HB3 . 15664 1 661 . 1 1 61 61 TYR HD1 H 1 6.92 0.02 . 1 . . . . 61 TYR HD1 . 15664 1 662 . 1 1 61 61 TYR HE1 H 1 6.59 0.02 . 1 . . . . 61 TYR HE1 . 15664 1 663 . 1 1 61 61 TYR C C 13 176.0 0.3 . 1 . . . . 61 TYR C . 15664 1 664 . 1 1 61 61 TYR CA C 13 57.6 0.3 . 1 . . . . 61 TYR CA . 15664 1 665 . 1 1 61 61 TYR CB C 13 39.9 0.3 . 1 . . . . 61 TYR CB . 15664 1 666 . 1 1 61 61 TYR CD1 C 13 133.3 0.3 . 1 . . . . 61 TYR CD1 . 15664 1 667 . 1 1 61 61 TYR CD2 C 13 133.3 0.3 . 1 . . . . 61 TYR CD2 . 15664 1 668 . 1 1 61 61 TYR CE1 C 13 117.7 0.3 . 1 . . . . 61 TYR CE1 . 15664 1 669 . 1 1 61 61 TYR CE2 C 13 117.7 0.3 . 1 . . . . 61 TYR CE2 . 15664 1 670 . 1 1 61 61 TYR N N 15 122.5 0.3 . 1 . . . . 61 TYR N . 15664 1 671 . 1 1 62 62 LEU H H 1 8.51 0.02 . 1 . . . . 62 LEU H . 15664 1 672 . 1 1 62 62 LEU HA H 1 4.83 0.02 . 1 . . . . 62 LEU HA . 15664 1 673 . 1 1 62 62 LEU HB2 H 1 1.06 0.02 . 2 . . . . 62 LEU HB2 . 15664 1 674 . 1 1 62 62 LEU HB3 H 1 1.32 0.02 . 2 . . . . 62 LEU HB3 . 15664 1 675 . 1 1 62 62 LEU HD11 H 1 -0.17 0.02 . 1 . . . . 62 LEU HD1 . 15664 1 676 . 1 1 62 62 LEU HD12 H 1 -0.17 0.02 . 1 . . . . 62 LEU HD1 . 15664 1 677 . 1 1 62 62 LEU HD13 H 1 -0.17 0.02 . 1 . . . . 62 LEU HD1 . 15664 1 678 . 1 1 62 62 LEU HD21 H 1 0.26 0.02 . 1 . . . . 62 LEU HD2 . 15664 1 679 . 1 1 62 62 LEU HD22 H 1 0.26 0.02 . 1 . . . . 62 LEU HD2 . 15664 1 680 . 1 1 62 62 LEU HD23 H 1 0.26 0.02 . 1 . . . . 62 LEU HD2 . 15664 1 681 . 1 1 62 62 LEU HG H 1 1.02 0.02 . 1 . . . . 62 LEU HG . 15664 1 682 . 1 1 62 62 LEU C C 13 175.8 0.3 . 1 . . . . 62 LEU C . 15664 1 683 . 1 1 62 62 LEU CA C 13 53.6 0.3 . 1 . . . . 62 LEU CA . 15664 1 684 . 1 1 62 62 LEU CB C 13 45.9 0.3 . 1 . . . . 62 LEU CB . 15664 1 685 . 1 1 62 62 LEU CD1 C 13 25.8 0.3 . 1 . . . . 62 LEU CD1 . 15664 1 686 . 1 1 62 62 LEU CD2 C 13 23.8 0.3 . 1 . . . . 62 LEU CD2 . 15664 1 687 . 1 1 62 62 LEU CG C 13 27.3 0.3 . 1 . . . . 62 LEU CG . 15664 1 688 . 1 1 62 62 LEU N N 15 124.3 0.3 . 1 . . . . 62 LEU N . 15664 1 689 . 1 1 63 63 LEU H H 1 7.89 0.02 . 1 . . . . 63 LEU H . 15664 1 690 . 1 1 63 63 LEU HA H 1 4.73 0.02 . 1 . . . . 63 LEU HA . 15664 1 691 . 1 1 63 63 LEU HB2 H 1 2.13 0.02 . 2 . . . . 63 LEU HB2 . 15664 1 692 . 1 1 63 63 LEU HB3 H 1 1.00 0.02 . 2 . . . . 63 LEU HB3 . 15664 1 693 . 1 1 63 63 LEU HD11 H 1 0.75 0.02 . 1 . . . . 63 LEU HD1 . 15664 1 694 . 1 1 63 63 LEU HD12 H 1 0.75 0.02 . 1 . . . . 63 LEU HD1 . 15664 1 695 . 1 1 63 63 LEU HD13 H 1 0.75 0.02 . 1 . . . . 63 LEU HD1 . 15664 1 696 . 1 1 63 63 LEU HD21 H 1 0.62 0.02 . 1 . . . . 63 LEU HD2 . 15664 1 697 . 1 1 63 63 LEU HD22 H 1 0.62 0.02 . 1 . . . . 63 LEU HD2 . 15664 1 698 . 1 1 63 63 LEU HD23 H 1 0.62 0.02 . 1 . . . . 63 LEU HD2 . 15664 1 699 . 1 1 63 63 LEU HG H 1 1.59 0.02 . 1 . . . . 63 LEU HG . 15664 1 700 . 1 1 63 63 LEU C C 13 175.9 0.3 . 1 . . . . 63 LEU C . 15664 1 701 . 1 1 63 63 LEU CA C 13 54.4 0.3 . 1 . . . . 63 LEU CA . 15664 1 702 . 1 1 63 63 LEU CB C 13 43.1 0.3 . 1 . . . . 63 LEU CB . 15664 1 703 . 1 1 63 63 LEU CD1 C 13 25.6 0.3 . 1 . . . . 63 LEU CD1 . 15664 1 704 . 1 1 63 63 LEU CD2 C 13 23.1 0.3 . 1 . . . . 63 LEU CD2 . 15664 1 705 . 1 1 63 63 LEU CG C 13 26.8 0.3 . 1 . . . . 63 LEU CG . 15664 1 706 . 1 1 63 63 LEU N N 15 121.3 0.3 . 1 . . . . 63 LEU N . 15664 1 707 . 1 1 64 64 LEU H H 1 8.85 0.02 . 1 . . . . 64 LEU H . 15664 1 708 . 1 1 64 64 LEU HA H 1 5.51 0.02 . 1 . . . . 64 LEU HA . 15664 1 709 . 1 1 64 64 LEU HB2 H 1 1.52 0.02 . 2 . . . . 64 LEU HB2 . 15664 1 710 . 1 1 64 64 LEU HB3 H 1 1.09 0.02 . 2 . . . . 64 LEU HB3 . 15664 1 711 . 1 1 64 64 LEU HD11 H 1 0.35 0.02 . 1 . . . . 64 LEU HD1 . 15664 1 712 . 1 1 64 64 LEU HD12 H 1 0.35 0.02 . 1 . . . . 64 LEU HD1 . 15664 1 713 . 1 1 64 64 LEU HD13 H 1 0.35 0.02 . 1 . . . . 64 LEU HD1 . 15664 1 714 . 1 1 64 64 LEU HD21 H 1 0.56 0.02 . 1 . . . . 64 LEU HD2 . 15664 1 715 . 1 1 64 64 LEU HD22 H 1 0.56 0.02 . 1 . . . . 64 LEU HD2 . 15664 1 716 . 1 1 64 64 LEU HD23 H 1 0.56 0.02 . 1 . . . . 64 LEU HD2 . 15664 1 717 . 1 1 64 64 LEU HG H 1 1.33 0.02 . 1 . . . . 64 LEU HG . 15664 1 718 . 1 1 64 64 LEU C C 13 175.7 0.3 . 1 . . . . 64 LEU C . 15664 1 719 . 1 1 64 64 LEU CA C 13 53.3 0.3 . 1 . . . . 64 LEU CA . 15664 1 720 . 1 1 64 64 LEU CB C 13 47.0 0.3 . 1 . . . . 64 LEU CB . 15664 1 721 . 1 1 64 64 LEU CD1 C 13 27.3 0.3 . 1 . . . . 64 LEU CD1 . 15664 1 722 . 1 1 64 64 LEU CD2 C 13 26.4 0.3 . 1 . . . . 64 LEU CD2 . 15664 1 723 . 1 1 64 64 LEU CG C 13 27.3 0.3 . 1 . . . . 64 LEU CG . 15664 1 724 . 1 1 64 64 LEU N N 15 124.0 0.3 . 1 . . . . 64 LEU N . 15664 1 725 . 1 1 65 65 GLU H H 1 8.38 0.02 . 1 . . . . 65 GLU H . 15664 1 726 . 1 1 65 65 GLU HA H 1 4.67 0.02 . 1 . . . . 65 GLU HA . 15664 1 727 . 1 1 65 65 GLU HB2 H 1 1.61 0.02 . 2 . . . . 65 GLU HB2 . 15664 1 728 . 1 1 65 65 GLU HB3 H 1 1.74 0.02 . 2 . . . . 65 GLU HB3 . 15664 1 729 . 1 1 65 65 GLU HG2 H 1 2.00 0.02 . 1 . . . . 65 GLU HG2 . 15664 1 730 . 1 1 65 65 GLU CA C 13 52.6 0.3 . 1 . . . . 65 GLU CA . 15664 1 731 . 1 1 65 65 GLU CB C 13 33.1 0.3 . 1 . . . . 65 GLU CB . 15664 1 732 . 1 1 65 65 GLU CG C 13 36.2 0.3 . 1 . . . . 65 GLU CG . 15664 1 733 . 1 1 65 65 GLU N N 15 115.1 0.3 . 1 . . . . 65 GLU N . 15664 1 734 . 1 1 66 66 PRO HA H 1 4.28 0.02 . 1 . . . . 66 PRO HA . 15664 1 735 . 1 1 66 66 PRO HB2 H 1 2.14 0.02 . 2 . . . . 66 PRO HB2 . 15664 1 736 . 1 1 66 66 PRO HB3 H 1 1.76 0.02 . 2 . . . . 66 PRO HB3 . 15664 1 737 . 1 1 66 66 PRO HD2 H 1 3.59 0.02 . 2 . . . . 66 PRO HD2 . 15664 1 738 . 1 1 66 66 PRO HD3 H 1 3.42 0.02 . 2 . . . . 66 PRO HD3 . 15664 1 739 . 1 1 66 66 PRO HG2 H 1 1.87 0.02 . 1 . . . . 66 PRO HG2 . 15664 1 740 . 1 1 66 66 PRO C C 13 177.2 0.3 . 1 . . . . 66 PRO C . 15664 1 741 . 1 1 66 66 PRO CA C 13 63.4 0.3 . 1 . . . . 66 PRO CA . 15664 1 742 . 1 1 66 66 PRO CB C 13 32.2 0.3 . 1 . . . . 66 PRO CB . 15664 1 743 . 1 1 66 66 PRO CD C 13 50.8 0.3 . 1 . . . . 66 PRO CD . 15664 1 744 . 1 1 66 66 PRO CG C 13 27.4 0.3 . 1 . . . . 66 PRO CG . 15664 1 745 . 1 1 67 67 GLU H H 1 8.21 0.02 . 1 . . . . 67 GLU H . 15664 1 746 . 1 1 67 67 GLU HA H 1 3.98 0.02 . 1 . . . . 67 GLU HA . 15664 1 747 . 1 1 67 67 GLU HB2 H 1 2.07 0.02 . 2 . . . . 67 GLU HB2 . 15664 1 748 . 1 1 67 67 GLU HB3 H 1 1.79 0.02 . 2 . . . . 67 GLU HB3 . 15664 1 749 . 1 1 67 67 GLU HG2 H 1 2.23 0.02 . 1 . . . . 67 GLU HG2 . 15664 1 750 . 1 1 67 67 GLU C C 13 175.8 0.3 . 1 . . . . 67 GLU C . 15664 1 751 . 1 1 67 67 GLU CA C 13 56.3 0.3 . 1 . . . . 67 GLU CA . 15664 1 752 . 1 1 67 67 GLU CB C 13 32.1 0.3 . 1 . . . . 67 GLU CB . 15664 1 753 . 1 1 67 67 GLU CG C 13 37.8 0.3 . 1 . . . . 67 GLU CG . 15664 1 754 . 1 1 67 67 GLU N N 15 117.4 0.3 . 1 . . . . 67 GLU N . 15664 1 755 . 1 1 68 68 GLU H H 1 8.54 0.02 . 1 . . . . 68 GLU H . 15664 1 756 . 1 1 68 68 GLU HA H 1 3.88 0.02 . 1 . . . . 68 GLU HA . 15664 1 757 . 1 1 68 68 GLU HB2 H 1 1.84 0.02 . 2 . . . . 68 GLU HB2 . 15664 1 758 . 1 1 68 68 GLU HB3 H 1 1.92 0.02 . 2 . . . . 68 GLU HB3 . 15664 1 759 . 1 1 68 68 GLU HG2 H 1 2.18 0.02 . 1 . . . . 68 GLU HG2 . 15664 1 760 . 1 1 68 68 GLU CA C 13 58.9 0.3 . 1 . . . . 68 GLU CA . 15664 1 761 . 1 1 68 68 GLU CB C 13 29.8 0.3 . 1 . . . . 68 GLU CB . 15664 1 762 . 1 1 68 68 GLU CG C 13 36.2 0.3 . 1 . . . . 68 GLU CG . 15664 1 763 . 1 1 68 68 GLU N N 15 121.0 0.3 . 1 . . . . 68 GLU N . 15664 1 764 . 1 1 69 69 GLY HA2 H 1 3.56 0.02 . 2 . . . . 69 GLY HA2 . 15664 1 765 . 1 1 69 69 GLY HA3 H 1 4.21 0.02 . 2 . . . . 69 GLY HA3 . 15664 1 766 . 1 1 69 69 GLY C C 13 174.5 0.3 . 1 . . . . 69 GLY C . 15664 1 767 . 1 1 69 69 GLY CA C 13 45.2 0.3 . 1 . . . . 69 GLY CA . 15664 1 768 . 1 1 70 70 LYS H H 1 7.64 0.02 . 1 . . . . 70 LYS H . 15664 1 769 . 1 1 70 70 LYS HA H 1 4.63 0.02 . 1 . . . . 70 LYS HA . 15664 1 770 . 1 1 70 70 LYS HB2 H 1 1.83 0.02 . 2 . . . . 70 LYS HB2 . 15664 1 771 . 1 1 70 70 LYS HB3 H 1 1.74 0.02 . 2 . . . . 70 LYS HB3 . 15664 1 772 . 1 1 70 70 LYS HD2 H 1 1.71 0.02 . 2 . . . . 70 LYS HD2 . 15664 1 773 . 1 1 70 70 LYS HD3 H 1 1.51 0.02 . 2 . . . . 70 LYS HD3 . 15664 1 774 . 1 1 70 70 LYS HE2 H 1 2.90 0.02 . 1 . . . . 70 LYS HE2 . 15664 1 775 . 1 1 70 70 LYS HG2 H 1 1.24 0.02 . 1 . . . . 70 LYS HG2 . 15664 1 776 . 1 1 70 70 LYS C C 13 175.0 0.3 . 1 . . . . 70 LYS C . 15664 1 777 . 1 1 70 70 LYS CA C 13 55.2 0.3 . 1 . . . . 70 LYS CA . 15664 1 778 . 1 1 70 70 LYS CB C 13 35.4 0.3 . 1 . . . . 70 LYS CB . 15664 1 779 . 1 1 70 70 LYS CD C 13 29.6 0.3 . 1 . . . . 70 LYS CD . 15664 1 780 . 1 1 70 70 LYS CE C 13 42.7 0.3 . 1 . . . . 70 LYS CE . 15664 1 781 . 1 1 70 70 LYS CG C 13 26.2 0.3 . 1 . . . . 70 LYS CG . 15664 1 782 . 1 1 70 70 LYS N N 15 121.6 0.3 . 1 . . . . 70 LYS N . 15664 1 783 . 1 1 71 71 ILE H H 1 8.06 0.02 . 1 . . . . 71 ILE H . 15664 1 784 . 1 1 71 71 ILE HA H 1 4.68 0.02 . 1 . . . . 71 ILE HA . 15664 1 785 . 1 1 71 71 ILE HB H 1 1.55 0.02 . 1 . . . . 71 ILE HB . 15664 1 786 . 1 1 71 71 ILE HD11 H 1 0.64 0.02 . 1 . . . . 71 ILE HD1 . 15664 1 787 . 1 1 71 71 ILE HD12 H 1 0.64 0.02 . 1 . . . . 71 ILE HD1 . 15664 1 788 . 1 1 71 71 ILE HD13 H 1 0.64 0.02 . 1 . . . . 71 ILE HD1 . 15664 1 789 . 1 1 71 71 ILE HG12 H 1 1.42 0.02 . 2 . . . . 71 ILE HG12 . 15664 1 790 . 1 1 71 71 ILE HG13 H 1 0.78 0.02 . 2 . . . . 71 ILE HG13 . 15664 1 791 . 1 1 71 71 ILE HG21 H 1 0.73 0.02 . 1 . . . . 71 ILE HG2 . 15664 1 792 . 1 1 71 71 ILE HG22 H 1 0.73 0.02 . 1 . . . . 71 ILE HG2 . 15664 1 793 . 1 1 71 71 ILE HG23 H 1 0.73 0.02 . 1 . . . . 71 ILE HG2 . 15664 1 794 . 1 1 71 71 ILE C C 13 176.1 0.3 . 1 . . . . 71 ILE C . 15664 1 795 . 1 1 71 71 ILE CA C 13 60.5 0.3 . 1 . . . . 71 ILE CA . 15664 1 796 . 1 1 71 71 ILE CB C 13 42.8 0.3 . 1 . . . . 71 ILE CB . 15664 1 797 . 1 1 71 71 ILE CD1 C 13 14.1 0.3 . 1 . . . . 71 ILE CD1 . 15664 1 798 . 1 1 71 71 ILE CG1 C 13 28.3 0.3 . 1 . . . . 71 ILE CG1 . 15664 1 799 . 1 1 71 71 ILE CG2 C 13 16.4 0.3 . 1 . . . . 71 ILE CG2 . 15664 1 800 . 1 1 71 71 ILE N N 15 118.2 0.3 . 1 . . . . 71 ILE N . 15664 1 801 . 1 1 72 72 PHE H H 1 8.42 0.02 . 1 . . . . 72 PHE H . 15664 1 802 . 1 1 72 72 PHE HA H 1 5.53 0.02 . 1 . . . . 72 PHE HA . 15664 1 803 . 1 1 72 72 PHE HB2 H 1 3.18 0.02 . 2 . . . . 72 PHE HB2 . 15664 1 804 . 1 1 72 72 PHE HB3 H 1 2.76 0.02 . 2 . . . . 72 PHE HB3 . 15664 1 805 . 1 1 72 72 PHE HD1 H 1 6.92 0.02 . 1 . . . . 72 PHE HD1 . 15664 1 806 . 1 1 72 72 PHE HE1 H 1 6.99 0.02 . 1 . . . . 72 PHE HE1 . 15664 1 807 . 1 1 72 72 PHE HZ H 1 6.86 0.02 . 1 . . . . 72 PHE HZ . 15664 1 808 . 1 1 72 72 PHE C C 13 175.8 0.3 . 1 . . . . 72 PHE C . 15664 1 809 . 1 1 72 72 PHE CA C 13 52.6 0.3 . 1 . . . . 72 PHE CA . 15664 1 810 . 1 1 72 72 PHE CB C 13 41.8 0.3 . 1 . . . . 72 PHE CB . 15664 1 811 . 1 1 72 72 PHE CD1 C 13 133.3 0.3 . 1 . . . . 72 PHE CD1 . 15664 1 812 . 1 1 72 72 PHE CD2 C 13 133.3 0.3 . 1 . . . . 72 PHE CD2 . 15664 1 813 . 1 1 72 72 PHE CE1 C 13 133.3 0.3 . 1 . . . . 72 PHE CE1 . 15664 1 814 . 1 1 72 72 PHE CE2 C 13 133.3 0.3 . 1 . . . . 72 PHE CE2 . 15664 1 815 . 1 1 72 72 PHE CZ C 13 131.2 0.3 . 1 . . . . 72 PHE CZ . 15664 1 816 . 1 1 72 72 PHE N N 15 123.3 0.3 . 1 . . . . 72 PHE N . 15664 1 817 . 1 1 73 73 THR H H 1 9.01 0.02 . 1 . . . . 73 THR H . 15664 1 818 . 1 1 73 73 THR HA H 1 4.66 0.02 . 1 . . . . 73 THR HA . 15664 1 819 . 1 1 73 73 THR HB H 1 4.00 0.02 . 1 . . . . 73 THR HB . 15664 1 820 . 1 1 73 73 THR HG21 H 1 1.18 0.02 . 1 . . . . 73 THR HG2 . 15664 1 821 . 1 1 73 73 THR HG22 H 1 1.18 0.02 . 1 . . . . 73 THR HG2 . 15664 1 822 . 1 1 73 73 THR HG23 H 1 1.18 0.02 . 1 . . . . 73 THR HG2 . 15664 1 823 . 1 1 73 73 THR C C 13 172.9 0.3 . 1 . . . . 73 THR C . 15664 1 824 . 1 1 73 73 THR CA C 13 60.8 0.3 . 1 . . . . 73 THR CA . 15664 1 825 . 1 1 73 73 THR CB C 13 72.3 0.3 . 1 . . . . 73 THR CB . 15664 1 826 . 1 1 73 73 THR CG2 C 13 21.6 0.3 . 1 . . . . 73 THR CG2 . 15664 1 827 . 1 1 73 73 THR N N 15 116.2 0.3 . 1 . . . . 73 THR N . 15664 1 828 . 1 1 74 74 LYS H H 1 6.96 0.02 . 1 . . . . 74 LYS H . 15664 1 829 . 1 1 74 74 LYS HA H 1 3.66 0.02 . 1 . . . . 74 LYS HA . 15664 1 830 . 1 1 74 74 LYS HB2 H 1 1.67 0.02 . 2 . . . . 74 LYS HB2 . 15664 1 831 . 1 1 74 74 LYS HB3 H 1 1.60 0.02 . 2 . . . . 74 LYS HB3 . 15664 1 832 . 1 1 74 74 LYS HD2 H 1 1.53 0.02 . 1 . . . . 74 LYS HD2 . 15664 1 833 . 1 1 74 74 LYS HE2 H 1 2.86 0.02 . 1 . . . . 74 LYS HE2 . 15664 1 834 . 1 1 74 74 LYS HG2 H 1 1.16 0.02 . 2 . . . . 74 LYS HG2 . 15664 1 835 . 1 1 74 74 LYS HG3 H 1 1.18 0.02 . 2 . . . . 74 LYS HG3 . 15664 1 836 . 1 1 74 74 LYS C C 13 178.0 0.3 . 1 . . . . 74 LYS C . 15664 1 837 . 1 1 74 74 LYS CA C 13 59.8 0.3 . 1 . . . . 74 LYS CA . 15664 1 838 . 1 1 74 74 LYS CB C 13 33.5 0.3 . 1 . . . . 74 LYS CB . 15664 1 839 . 1 1 74 74 LYS CD C 13 29.3 0.3 . 1 . . . . 74 LYS CD . 15664 1 840 . 1 1 74 74 LYS CE C 13 42.2 0.3 . 1 . . . . 74 LYS CE . 15664 1 841 . 1 1 74 74 LYS CG C 13 24.6 0.3 . 1 . . . . 74 LYS CG . 15664 1 842 . 1 1 74 74 LYS N N 15 124.3 0.3 . 1 . . . . 74 LYS N . 15664 1 843 . 1 1 75 75 GLY H H 1 8.84 0.02 . 1 . . . . 75 GLY H . 15664 1 844 . 1 1 75 75 GLY HA2 H 1 4.42 0.02 . 2 . . . . 75 GLY HA2 . 15664 1 845 . 1 1 75 75 GLY HA3 H 1 3.42 0.02 . 2 . . . . 75 GLY HA3 . 15664 1 846 . 1 1 75 75 GLY C C 13 174.8 0.3 . 1 . . . . 75 GLY C . 15664 1 847 . 1 1 75 75 GLY CA C 13 44.7 0.3 . 1 . . . . 75 GLY CA . 15664 1 848 . 1 1 75 75 GLY N N 15 117.7 0.3 . 1 . . . . 75 GLY N . 15664 1 849 . 1 1 76 76 ASP H H 1 8.17 0.02 . 1 . . . . 76 ASP H . 15664 1 850 . 1 1 76 76 ASP HA H 1 4.41 0.02 . 1 . . . . 76 ASP HA . 15664 1 851 . 1 1 76 76 ASP HB2 H 1 2.36 0.02 . 2 . . . . 76 ASP HB2 . 15664 1 852 . 1 1 76 76 ASP HB3 H 1 2.07 0.02 . 2 . . . . 76 ASP HB3 . 15664 1 853 . 1 1 76 76 ASP C C 13 174.9 0.3 . 1 . . . . 76 ASP C . 15664 1 854 . 1 1 76 76 ASP CA C 13 56.0 0.3 . 1 . . . . 76 ASP CA . 15664 1 855 . 1 1 76 76 ASP CB C 13 41.1 0.3 . 1 . . . . 76 ASP CB . 15664 1 856 . 1 1 76 76 ASP N N 15 123.4 0.3 . 1 . . . . 76 ASP N . 15664 1 857 . 1 1 77 77 LYS H H 1 8.26 0.02 . 1 . . . . 77 LYS H . 15664 1 858 . 1 1 77 77 LYS HA H 1 4.92 0.02 . 1 . . . . 77 LYS HA . 15664 1 859 . 1 1 77 77 LYS HB3 H 1 1.56 0.02 . 1 . . . . 77 LYS HB3 . 15664 1 860 . 1 1 77 77 LYS HD2 H 1 1.54 0.02 . 2 . . . . 77 LYS HD2 . 15664 1 861 . 1 1 77 77 LYS HD3 H 1 1.44 0.02 . 2 . . . . 77 LYS HD3 . 15664 1 862 . 1 1 77 77 LYS HE2 H 1 2.76 0.02 . 1 . . . . 77 LYS HE2 . 15664 1 863 . 1 1 77 77 LYS HG2 H 1 1.35 0.02 . 2 . . . . 77 LYS HG2 . 15664 1 864 . 1 1 77 77 LYS HG3 H 1 1.17 0.02 . 2 . . . . 77 LYS HG3 . 15664 1 865 . 1 1 77 77 LYS C C 13 176.4 0.3 . 1 . . . . 77 LYS C . 15664 1 866 . 1 1 77 77 LYS CA C 13 55.3 0.3 . 1 . . . . 77 LYS CA . 15664 1 867 . 1 1 77 77 LYS CB C 13 33.2 0.3 . 1 . . . . 77 LYS CB . 15664 1 868 . 1 1 77 77 LYS CD C 13 29.2 0.3 . 1 . . . . 77 LYS CD . 15664 1 869 . 1 1 77 77 LYS CE C 13 42.1 0.3 . 1 . . . . 77 LYS CE . 15664 1 870 . 1 1 77 77 LYS CG C 13 25.5 0.3 . 1 . . . . 77 LYS CG . 15664 1 871 . 1 1 77 77 LYS N N 15 123.1 0.3 . 1 . . . . 77 LYS N . 15664 1 872 . 1 1 78 78 VAL H H 1 8.67 0.02 . 1 . . . . 78 VAL H . 15664 1 873 . 1 1 78 78 VAL HA H 1 4.72 0.02 . 1 . . . . 78 VAL HA . 15664 1 874 . 1 1 78 78 VAL HB H 1 1.31 0.02 . 1 . . . . 78 VAL HB . 15664 1 875 . 1 1 78 78 VAL HG11 H 1 -0.57 0.02 . 1 . . . . 78 VAL HG1 . 15664 1 876 . 1 1 78 78 VAL HG12 H 1 -0.57 0.02 . 1 . . . . 78 VAL HG1 . 15664 1 877 . 1 1 78 78 VAL HG13 H 1 -0.57 0.02 . 1 . . . . 78 VAL HG1 . 15664 1 878 . 1 1 78 78 VAL HG21 H 1 0.06 0.02 . 1 . . . . 78 VAL HG2 . 15664 1 879 . 1 1 78 78 VAL HG22 H 1 0.06 0.02 . 1 . . . . 78 VAL HG2 . 15664 1 880 . 1 1 78 78 VAL HG23 H 1 0.06 0.02 . 1 . . . . 78 VAL HG2 . 15664 1 881 . 1 1 78 78 VAL C C 13 173.0 0.3 . 1 . . . . 78 VAL C . 15664 1 882 . 1 1 78 78 VAL CA C 13 58.1 0.3 . 1 . . . . 78 VAL CA . 15664 1 883 . 1 1 78 78 VAL CB C 13 34.5 0.3 . 1 . . . . 78 VAL CB . 15664 1 884 . 1 1 78 78 VAL CG1 C 13 20.1 0.3 . 1 . . . . 78 VAL CG1 . 15664 1 885 . 1 1 78 78 VAL CG2 C 13 19.2 0.3 . 1 . . . . 78 VAL CG2 . 15664 1 886 . 1 1 78 78 VAL N N 15 116.5 0.3 . 1 . . . . 78 VAL N . 15664 1 887 . 1 1 79 79 LEU H H 1 8.83 0.02 . 1 . . . . 79 LEU H . 15664 1 888 . 1 1 79 79 LEU HA H 1 4.79 0.02 . 1 . . . . 79 LEU HA . 15664 1 889 . 1 1 79 79 LEU HB2 H 1 1.21 0.02 . 2 . . . . 79 LEU HB2 . 15664 1 890 . 1 1 79 79 LEU HB3 H 1 1.59 0.02 . 2 . . . . 79 LEU HB3 . 15664 1 891 . 1 1 79 79 LEU HD11 H 1 0.70 0.02 . 1 . . . . 79 LEU HD1 . 15664 1 892 . 1 1 79 79 LEU HD12 H 1 0.70 0.02 . 1 . . . . 79 LEU HD1 . 15664 1 893 . 1 1 79 79 LEU HD13 H 1 0.70 0.02 . 1 . . . . 79 LEU HD1 . 15664 1 894 . 1 1 79 79 LEU HD21 H 1 0.71 0.02 . 1 . . . . 79 LEU HD2 . 15664 1 895 . 1 1 79 79 LEU HD22 H 1 0.71 0.02 . 1 . . . . 79 LEU HD2 . 15664 1 896 . 1 1 79 79 LEU HD23 H 1 0.71 0.02 . 1 . . . . 79 LEU HD2 . 15664 1 897 . 1 1 79 79 LEU HG H 1 1.23 0.02 . 1 . . . . 79 LEU HG . 15664 1 898 . 1 1 79 79 LEU C C 13 177.1 0.3 . 1 . . . . 79 LEU C . 15664 1 899 . 1 1 79 79 LEU CA C 13 53.4 0.3 . 1 . . . . 79 LEU CA . 15664 1 900 . 1 1 79 79 LEU CB C 13 45.4 0.3 . 1 . . . . 79 LEU CB . 15664 1 901 . 1 1 79 79 LEU CD1 C 13 24.2 0.3 . 1 . . . . 79 LEU CD1 . 15664 1 902 . 1 1 79 79 LEU CD2 C 13 25.9 0.3 . 1 . . . . 79 LEU CD2 . 15664 1 903 . 1 1 79 79 LEU CG C 13 27.4 0.3 . 1 . . . . 79 LEU CG . 15664 1 904 . 1 1 79 79 LEU N N 15 124.7 0.3 . 1 . . . . 79 LEU N . 15664 1 905 . 1 1 80 80 ILE H H 1 8.50 0.02 . 1 . . . . 80 ILE H . 15664 1 906 . 1 1 80 80 ILE HA H 1 3.71 0.02 . 1 . . . . 80 ILE HA . 15664 1 907 . 1 1 80 80 ILE HB H 1 2.07 0.02 . 1 . . . . 80 ILE HB . 15664 1 908 . 1 1 80 80 ILE HD11 H 1 0.27 0.02 . 1 . . . . 80 ILE HD1 . 15664 1 909 . 1 1 80 80 ILE HD12 H 1 0.27 0.02 . 1 . . . . 80 ILE HD1 . 15664 1 910 . 1 1 80 80 ILE HD13 H 1 0.27 0.02 . 1 . . . . 80 ILE HD1 . 15664 1 911 . 1 1 80 80 ILE HG13 H 1 0.51 0.02 . 1 . . . . 80 ILE HG13 . 15664 1 912 . 1 1 80 80 ILE HG21 H 1 0.71 0.02 . 1 . . . . 80 ILE HG2 . 15664 1 913 . 1 1 80 80 ILE HG22 H 1 0.71 0.02 . 1 . . . . 80 ILE HG2 . 15664 1 914 . 1 1 80 80 ILE HG23 H 1 0.71 0.02 . 1 . . . . 80 ILE HG2 . 15664 1 915 . 1 1 80 80 ILE C C 13 177.2 0.3 . 1 . . . . 80 ILE C . 15664 1 916 . 1 1 80 80 ILE CA C 13 64.1 0.3 . 1 . . . . 80 ILE CA . 15664 1 917 . 1 1 80 80 ILE CB C 13 36.8 0.3 . 1 . . . . 80 ILE CB . 15664 1 918 . 1 1 80 80 ILE CD1 C 13 14.7 0.3 . 1 . . . . 80 ILE CD1 . 15664 1 919 . 1 1 80 80 ILE CG1 C 13 29.1 0.3 . 1 . . . . 80 ILE CG1 . 15664 1 920 . 1 1 80 80 ILE CG2 C 13 19.4 0.3 . 1 . . . . 80 ILE CG2 . 15664 1 921 . 1 1 80 80 ILE N N 15 127.5 0.3 . 1 . . . . 80 ILE N . 15664 1 922 . 1 1 81 81 ILE H H 1 9.26 0.02 . 1 . . . . 81 ILE H . 15664 1 923 . 1 1 81 81 ILE HA H 1 4.38 0.02 . 1 . . . . 81 ILE HA . 15664 1 924 . 1 1 81 81 ILE HB H 1 1.71 0.02 . 1 . . . . 81 ILE HB . 15664 1 925 . 1 1 81 81 ILE HD11 H 1 0.64 0.02 . 1 . . . . 81 ILE HD1 . 15664 1 926 . 1 1 81 81 ILE HD12 H 1 0.64 0.02 . 1 . . . . 81 ILE HD1 . 15664 1 927 . 1 1 81 81 ILE HD13 H 1 0.64 0.02 . 1 . . . . 81 ILE HD1 . 15664 1 928 . 1 1 81 81 ILE HG12 H 1 1.33 0.02 . 2 . . . . 81 ILE HG12 . 15664 1 929 . 1 1 81 81 ILE HG13 H 1 0.99 0.02 . 2 . . . . 81 ILE HG13 . 15664 1 930 . 1 1 81 81 ILE HG21 H 1 0.81 0.02 . 1 . . . . 81 ILE HG2 . 15664 1 931 . 1 1 81 81 ILE HG22 H 1 0.81 0.02 . 1 . . . . 81 ILE HG2 . 15664 1 932 . 1 1 81 81 ILE HG23 H 1 0.81 0.02 . 1 . . . . 81 ILE HG2 . 15664 1 933 . 1 1 81 81 ILE C C 13 176.5 0.3 . 1 . . . . 81 ILE C . 15664 1 934 . 1 1 81 81 ILE CA C 13 62.3 0.3 . 1 . . . . 81 ILE CA . 15664 1 935 . 1 1 81 81 ILE CB C 13 40.3 0.3 . 1 . . . . 81 ILE CB . 15664 1 936 . 1 1 81 81 ILE CD1 C 13 12.5 0.3 . 1 . . . . 81 ILE CD1 . 15664 1 937 . 1 1 81 81 ILE CG1 C 13 26.8 0.3 . 1 . . . . 81 ILE CG1 . 15664 1 938 . 1 1 81 81 ILE CG2 C 13 17.7 0.3 . 1 . . . . 81 ILE CG2 . 15664 1 939 . 1 1 81 81 ILE N N 15 127.2 0.3 . 1 . . . . 81 ILE N . 15664 1 940 . 1 1 82 82 CYS H H 1 7.72 0.02 . 1 . . . . 82 CYS H . 15664 1 941 . 1 1 82 82 CYS HA H 1 4.63 0.02 . 1 . . . . 82 CYS HA . 15664 1 942 . 1 1 82 82 CYS HB2 H 1 3.01 0.02 . 2 . . . . 82 CYS HB2 . 15664 1 943 . 1 1 82 82 CYS HB3 H 1 2.87 0.02 . 2 . . . . 82 CYS HB3 . 15664 1 944 . 1 1 82 82 CYS C C 13 171.9 0.3 . 1 . . . . 82 CYS C . 15664 1 945 . 1 1 82 82 CYS CA C 13 57.9 0.3 . 1 . . . . 82 CYS CA . 15664 1 946 . 1 1 82 82 CYS CB C 13 29.9 0.3 . 1 . . . . 82 CYS CB . 15664 1 947 . 1 1 82 82 CYS N N 15 115.3 0.3 . 1 . . . . 82 CYS N . 15664 1 948 . 1 1 83 83 ARG H H 1 9.16 0.02 . 1 . . . . 83 ARG H . 15664 1 949 . 1 1 83 83 ARG HA H 1 3.96 0.02 . 1 . . . . 83 ARG HA . 15664 1 950 . 1 1 83 83 ARG HB3 H 1 1.39 0.02 . 1 . . . . 83 ARG HB3 . 15664 1 951 . 1 1 83 83 ARG HD2 H 1 2.93 0.02 . 2 . . . . 83 ARG HD2 . 15664 1 952 . 1 1 83 83 ARG HD3 H 1 2.87 0.02 . 2 . . . . 83 ARG HD3 . 15664 1 953 . 1 1 83 83 ARG HG2 H 1 1.12 0.02 . 2 . . . . 83 ARG HG2 . 15664 1 954 . 1 1 83 83 ARG HG3 H 1 0.77 0.02 . 2 . . . . 83 ARG HG3 . 15664 1 955 . 1 1 83 83 ARG C C 13 176.0 0.3 . 1 . . . . 83 ARG C . 15664 1 956 . 1 1 83 83 ARG CA C 13 56.7 0.3 . 1 . . . . 83 ARG CA . 15664 1 957 . 1 1 83 83 ARG CB C 13 31.9 0.3 . 1 . . . . 83 ARG CB . 15664 1 958 . 1 1 83 83 ARG CD C 13 44.3 0.3 . 1 . . . . 83 ARG CD . 15664 1 959 . 1 1 83 83 ARG CG C 13 27.4 0.3 . 1 . . . . 83 ARG CG . 15664 1 960 . 1 1 83 83 ARG N N 15 127.8 0.3 . 1 . . . . 83 ARG N . 15664 1 961 . 1 1 84 84 LEU H H 1 8.72 0.02 . 1 . . . . 84 LEU H . 15664 1 962 . 1 1 84 84 LEU HA H 1 4.25 0.02 . 1 . . . . 84 LEU HA . 15664 1 963 . 1 1 84 84 LEU HB2 H 1 1.25 0.02 . 1 . . . . 84 LEU HB2 . 15664 1 964 . 1 1 84 84 LEU HD11 H 1 0.69 0.02 . 1 . . . . 84 LEU HD1 . 15664 1 965 . 1 1 84 84 LEU HD12 H 1 0.69 0.02 . 1 . . . . 84 LEU HD1 . 15664 1 966 . 1 1 84 84 LEU HD13 H 1 0.69 0.02 . 1 . . . . 84 LEU HD1 . 15664 1 967 . 1 1 84 84 LEU HD21 H 1 0.59 0.02 . 1 . . . . 84 LEU HD2 . 15664 1 968 . 1 1 84 84 LEU HD22 H 1 0.59 0.02 . 1 . . . . 84 LEU HD2 . 15664 1 969 . 1 1 84 84 LEU HD23 H 1 0.59 0.02 . 1 . . . . 84 LEU HD2 . 15664 1 970 . 1 1 84 84 LEU HG H 1 1.37 0.02 . 1 . . . . 84 LEU HG . 15664 1 971 . 1 1 84 84 LEU C C 13 177.4 0.3 . 1 . . . . 84 LEU C . 15664 1 972 . 1 1 84 84 LEU CA C 13 55.9 0.3 . 1 . . . . 84 LEU CA . 15664 1 973 . 1 1 84 84 LEU CB C 13 43.2 0.3 . 1 . . . . 84 LEU CB . 15664 1 974 . 1 1 84 84 LEU CD1 C 13 22.4 0.3 . 1 . . . . 84 LEU CD1 . 15664 1 975 . 1 1 84 84 LEU CD2 C 13 25.7 0.3 . 1 . . . . 84 LEU CD2 . 15664 1 976 . 1 1 84 84 LEU CG C 13 26.9 0.3 . 1 . . . . 84 LEU CG . 15664 1 977 . 1 1 84 84 LEU N N 15 128.5 0.3 . 1 . . . . 84 LEU N . 15664 1 978 . 1 1 85 85 SER H H 1 8.07 0.02 . 1 . . . . 85 SER H . 15664 1 979 . 1 1 85 85 SER HA H 1 4.37 0.02 . 1 . . . . 85 SER HA . 15664 1 980 . 1 1 85 85 SER HB2 H 1 4.07 0.02 . 1 . . . . 85 SER HB2 . 15664 1 981 . 1 1 85 85 SER CA C 13 56.9 0.3 . 1 . . . . 85 SER CA . 15664 1 982 . 1 1 85 85 SER CB C 13 64.5 0.3 . 1 . . . . 85 SER CB . 15664 1 983 . 1 1 85 85 SER N N 15 115.0 0.3 . 1 . . . . 85 SER N . 15664 1 984 . 1 1 86 86 ALA HA H 1 3.99 0.02 . 1 . . . . 86 ALA HA . 15664 1 985 . 1 1 86 86 ALA HB1 H 1 1.43 0.02 . 1 . . . . 86 ALA HB . 15664 1 986 . 1 1 86 86 ALA HB2 H 1 1.43 0.02 . 1 . . . . 86 ALA HB . 15664 1 987 . 1 1 86 86 ALA HB3 H 1 1.43 0.02 . 1 . . . . 86 ALA HB . 15664 1 988 . 1 1 86 86 ALA CA C 13 55.6 0.3 . 1 . . . . 86 ALA CA . 15664 1 989 . 1 1 86 86 ALA CB C 13 18.9 0.3 . 1 . . . . 86 ALA CB . 15664 1 990 . 1 1 87 87 THR HA H 1 4.49 0.02 . 1 . . . . 87 THR HA . 15664 1 991 . 1 1 87 87 THR HB H 1 4.44 0.02 . 1 . . . . 87 THR HB . 15664 1 992 . 1 1 87 87 THR HG21 H 1 1.15 0.02 . 1 . . . . 87 THR HG2 . 15664 1 993 . 1 1 87 87 THR HG22 H 1 1.15 0.02 . 1 . . . . 87 THR HG2 . 15664 1 994 . 1 1 87 87 THR HG23 H 1 1.15 0.02 . 1 . . . . 87 THR HG2 . 15664 1 995 . 1 1 87 87 THR C C 13 173.7 0.3 . 1 . . . . 87 THR C . 15664 1 996 . 1 1 87 87 THR CA C 13 61.3 0.3 . 1 . . . . 87 THR CA . 15664 1 997 . 1 1 87 87 THR CB C 13 70.8 0.3 . 1 . . . . 87 THR CB . 15664 1 998 . 1 1 87 87 THR CG2 C 13 22.7 0.3 . 1 . . . . 87 THR CG2 . 15664 1 999 . 1 1 88 88 ARG H H 1 7.15 0.02 . 1 . . . . 88 ARG H . 15664 1 1000 . 1 1 88 88 ARG HA H 1 5.08 0.02 . 1 . . . . 88 ARG HA . 15664 1 1001 . 1 1 88 88 ARG HB2 H 1 1.46 0.02 . 2 . . . . 88 ARG HB2 . 15664 1 1002 . 1 1 88 88 ARG HB3 H 1 1.67 0.02 . 2 . . . . 88 ARG HB3 . 15664 1 1003 . 1 1 88 88 ARG HD2 H 1 3.08 0.02 . 2 . . . . 88 ARG HD2 . 15664 1 1004 . 1 1 88 88 ARG HD3 H 1 2.93 0.02 . 2 . . . . 88 ARG HD3 . 15664 1 1005 . 1 1 88 88 ARG HG2 H 1 1.28 0.02 . 2 . . . . 88 ARG HG2 . 15664 1 1006 . 1 1 88 88 ARG HG3 H 1 1.41 0.02 . 2 . . . . 88 ARG HG3 . 15664 1 1007 . 1 1 88 88 ARG C C 13 175.2 0.3 . 1 . . . . 88 ARG C . 15664 1 1008 . 1 1 88 88 ARG CA C 13 55.8 0.3 . 1 . . . . 88 ARG CA . 15664 1 1009 . 1 1 88 88 ARG CB C 13 33.9 0.3 . 1 . . . . 88 ARG CB . 15664 1 1010 . 1 1 88 88 ARG CD C 13 44.1 0.3 . 1 . . . . 88 ARG CD . 15664 1 1011 . 1 1 88 88 ARG CG C 13 27.3 0.3 . 1 . . . . 88 ARG CG . 15664 1 1012 . 1 1 88 88 ARG N N 15 122.0 0.3 . 1 . . . . 88 ARG N . 15664 1 1013 . 1 1 89 89 TYR H H 1 8.81 0.02 . 1 . . . . 89 TYR H . 15664 1 1014 . 1 1 89 89 TYR HA H 1 4.74 0.02 . 1 . . . . 89 TYR HA . 15664 1 1015 . 1 1 89 89 TYR HB3 H 1 2.77 0.02 . 1 . . . . 89 TYR HB3 . 15664 1 1016 . 1 1 89 89 TYR HD1 H 1 6.88 0.02 . 1 . . . . 89 TYR HD1 . 15664 1 1017 . 1 1 89 89 TYR HE1 H 1 6.68 0.02 . 1 . . . . 89 TYR HE1 . 15664 1 1018 . 1 1 89 89 TYR C C 13 174.0 0.3 . 1 . . . . 89 TYR C . 15664 1 1019 . 1 1 89 89 TYR CA C 13 57.8 0.3 . 1 . . . . 89 TYR CA . 15664 1 1020 . 1 1 89 89 TYR CB C 13 41.6 0.3 . 1 . . . . 89 TYR CB . 15664 1 1021 . 1 1 89 89 TYR CD1 C 13 133.3 0.3 . 1 . . . . 89 TYR CD1 . 15664 1 1022 . 1 1 89 89 TYR CD2 C 13 133.3 0.3 . 1 . . . . 89 TYR CD2 . 15664 1 1023 . 1 1 89 89 TYR CE1 C 13 117.5 0.3 . 1 . . . . 89 TYR CE1 . 15664 1 1024 . 1 1 89 89 TYR CE2 C 13 117.5 0.3 . 1 . . . . 89 TYR CE2 . 15664 1 1025 . 1 1 89 89 TYR N N 15 123.1 0.3 . 1 . . . . 89 TYR N . 15664 1 1026 . 1 1 90 90 LEU H H 1 8.85 0.02 . 1 . . . . 90 LEU H . 15664 1 1027 . 1 1 90 90 LEU HA H 1 4.98 0.02 . 1 . . . . 90 LEU HA . 15664 1 1028 . 1 1 90 90 LEU HB2 H 1 1.11 0.02 . 2 . . . . 90 LEU HB2 . 15664 1 1029 . 1 1 90 90 LEU HB3 H 1 1.92 0.02 . 2 . . . . 90 LEU HB3 . 15664 1 1030 . 1 1 90 90 LEU HD11 H 1 0.80 0.02 . 1 . . . . 90 LEU HD1 . 15664 1 1031 . 1 1 90 90 LEU HD12 H 1 0.80 0.02 . 1 . . . . 90 LEU HD1 . 15664 1 1032 . 1 1 90 90 LEU HD13 H 1 0.80 0.02 . 1 . . . . 90 LEU HD1 . 15664 1 1033 . 1 1 90 90 LEU HD21 H 1 0.83 0.02 . 1 . . . . 90 LEU HD2 . 15664 1 1034 . 1 1 90 90 LEU HD22 H 1 0.83 0.02 . 1 . . . . 90 LEU HD2 . 15664 1 1035 . 1 1 90 90 LEU HD23 H 1 0.83 0.02 . 1 . . . . 90 LEU HD2 . 15664 1 1036 . 1 1 90 90 LEU HG H 1 1.24 0.02 . 1 . . . . 90 LEU HG . 15664 1 1037 . 1 1 90 90 LEU C C 13 176.5 0.3 . 1 . . . . 90 LEU C . 15664 1 1038 . 1 1 90 90 LEU CA C 13 53.6 0.3 . 1 . . . . 90 LEU CA . 15664 1 1039 . 1 1 90 90 LEU CB C 13 45.4 0.3 . 1 . . . . 90 LEU CB . 15664 1 1040 . 1 1 90 90 LEU CD1 C 13 26.4 0.3 . 1 . . . . 90 LEU CD1 . 15664 1 1041 . 1 1 90 90 LEU CD2 C 13 24.2 0.3 . 1 . . . . 90 LEU CD2 . 15664 1 1042 . 1 1 90 90 LEU CG C 13 27.3 0.3 . 1 . . . . 90 LEU CG . 15664 1 1043 . 1 1 90 90 LEU N N 15 125.1 0.3 . 1 . . . . 90 LEU N . 15664 1 1044 . 1 1 91 91 ALA H H 1 8.90 0.02 . 1 . . . . 91 ALA H . 15664 1 1045 . 1 1 91 91 ALA HA H 1 5.47 0.02 . 1 . . . . 91 ALA HA . 15664 1 1046 . 1 1 91 91 ALA HB1 H 1 1.09 0.02 . 1 . . . . 91 ALA HB . 15664 1 1047 . 1 1 91 91 ALA HB2 H 1 1.09 0.02 . 1 . . . . 91 ALA HB . 15664 1 1048 . 1 1 91 91 ALA HB3 H 1 1.09 0.02 . 1 . . . . 91 ALA HB . 15664 1 1049 . 1 1 91 91 ALA C C 13 175.2 0.3 . 1 . . . . 91 ALA C . 15664 1 1050 . 1 1 91 91 ALA CA C 13 50.7 0.3 . 1 . . . . 91 ALA CA . 15664 1 1051 . 1 1 91 91 ALA CB C 13 25.1 0.3 . 1 . . . . 91 ALA CB . 15664 1 1052 . 1 1 91 91 ALA N N 15 130.0 0.3 . 1 . . . . 91 ALA N . 15664 1 1053 . 1 1 92 92 GLU H H 1 9.00 0.02 . 1 . . . . 92 GLU H . 15664 1 1054 . 1 1 92 92 GLU HA H 1 4.93 0.02 . 1 . . . . 92 GLU HA . 15664 1 1055 . 1 1 92 92 GLU HB2 H 1 1.99 0.02 . 2 . . . . 92 GLU HB2 . 15664 1 1056 . 1 1 92 92 GLU HB3 H 1 1.91 0.02 . 2 . . . . 92 GLU HB3 . 15664 1 1057 . 1 1 92 92 GLU HG2 H 1 2.17 0.02 . 2 . . . . 92 GLU HG2 . 15664 1 1058 . 1 1 92 92 GLU HG3 H 1 2.11 0.02 . 2 . . . . 92 GLU HG3 . 15664 1 1059 . 1 1 92 92 GLU C C 13 175.3 0.3 . 1 . . . . 92 GLU C . 15664 1 1060 . 1 1 92 92 GLU CA C 13 54.5 0.3 . 1 . . . . 92 GLU CA . 15664 1 1061 . 1 1 92 92 GLU CB C 13 34.0 0.3 . 1 . . . . 92 GLU CB . 15664 1 1062 . 1 1 92 92 GLU CG C 13 35.6 0.3 . 1 . . . . 92 GLU CG . 15664 1 1063 . 1 1 92 92 GLU N N 15 119.1 0.3 . 1 . . . . 92 GLU N . 15664 1 1064 . 1 1 93 93 ASN H H 1 9.07 0.02 . 1 . . . . 93 ASN H . 15664 1 1065 . 1 1 93 93 ASN HA H 1 4.47 0.02 . 1 . . . . 93 ASN HA . 15664 1 1066 . 1 1 93 93 ASN HB2 H 1 2.90 0.02 . 2 . . . . 93 ASN HB2 . 15664 1 1067 . 1 1 93 93 ASN HB3 H 1 2.68 0.02 . 2 . . . . 93 ASN HB3 . 15664 1 1068 . 1 1 93 93 ASN HD21 H 1 7.55 0.02 . 1 . . . . 93 ASN HD21 . 15664 1 1069 . 1 1 93 93 ASN HD22 H 1 6.80 0.02 . 1 . . . . 93 ASN HD22 . 15664 1 1070 . 1 1 93 93 ASN C C 13 174.9 0.3 . 1 . . . . 93 ASN C . 15664 1 1071 . 1 1 93 93 ASN CA C 13 54.5 0.3 . 1 . . . . 93 ASN CA . 15664 1 1072 . 1 1 93 93 ASN CB C 13 39.3 0.3 . 1 . . . . 93 ASN CB . 15664 1 1073 . 1 1 93 93 ASN N N 15 124.0 0.3 . 1 . . . . 93 ASN N . 15664 1 1074 . 1 1 93 93 ASN ND2 N 15 111.9 0.3 . 1 . . . . 93 ASN ND2 . 15664 1 1075 . 1 1 94 94 ASN H H 1 8.63 0.02 . 1 . . . . 94 ASN H . 15664 1 1076 . 1 1 94 94 ASN HA H 1 4.64 0.02 . 1 . . . . 94 ASN HA . 15664 1 1077 . 1 1 94 94 ASN HB2 H 1 2.44 0.02 . 2 . . . . 94 ASN HB2 . 15664 1 1078 . 1 1 94 94 ASN HB3 H 1 2.62 0.02 . 2 . . . . 94 ASN HB3 . 15664 1 1079 . 1 1 94 94 ASN HD21 H 1 7.24 0.02 . 1 . . . . 94 ASN HD21 . 15664 1 1080 . 1 1 94 94 ASN HD22 H 1 6.75 0.02 . 1 . . . . 94 ASN HD22 . 15664 1 1081 . 1 1 94 94 ASN CA C 13 51.6 0.3 . 1 . . . . 94 ASN CA . 15664 1 1082 . 1 1 94 94 ASN CB C 13 39.9 0.3 . 1 . . . . 94 ASN CB . 15664 1 1083 . 1 1 94 94 ASN CG C 13 176.8 0.3 . 1 . . . . 94 ASN CG . 15664 1 1084 . 1 1 94 94 ASN N N 15 123.6 0.3 . 1 . . . . 94 ASN N . 15664 1 1085 . 1 1 94 94 ASN ND2 N 15 112.4 0.3 . 1 . . . . 94 ASN ND2 . 15664 1 1086 . 1 1 95 95 PRO HA H 1 4.38 0.02 . 1 . . . . 95 PRO HA . 15664 1 1087 . 1 1 95 95 PRO HB2 H 1 1.82 0.02 . 2 . . . . 95 PRO HB2 . 15664 1 1088 . 1 1 95 95 PRO HB3 H 1 2.16 0.02 . 2 . . . . 95 PRO HB3 . 15664 1 1089 . 1 1 95 95 PRO HD2 H 1 3.44 0.02 . 2 . . . . 95 PRO HD2 . 15664 1 1090 . 1 1 95 95 PRO HD3 H 1 3.67 0.02 . 2 . . . . 95 PRO HD3 . 15664 1 1091 . 1 1 95 95 PRO HG2 H 1 1.87 0.02 . 1 . . . . 95 PRO HG2 . 15664 1 1092 . 1 1 95 95 PRO C C 13 176.7 0.3 . 1 . . . . 95 PRO C . 15664 1 1093 . 1 1 95 95 PRO CA C 13 63.6 0.3 . 1 . . . . 95 PRO CA . 15664 1 1094 . 1 1 95 95 PRO CB C 13 32.3 0.3 . 1 . . . . 95 PRO CB . 15664 1 1095 . 1 1 95 95 PRO CD C 13 50.8 0.3 . 1 . . . . 95 PRO CD . 15664 1 1096 . 1 1 95 95 PRO CG C 13 27.3 0.3 . 1 . . . . 95 PRO CG . 15664 1 1097 . 1 1 96 96 TRP H H 1 7.73 0.02 . 1 . . . . 96 TRP H . 15664 1 1098 . 1 1 96 96 TRP HA H 1 4.85 0.02 . 1 . . . . 96 TRP HA . 15664 1 1099 . 1 1 96 96 TRP HB2 H 1 3.20 0.02 . 2 . . . . 96 TRP HB2 . 15664 1 1100 . 1 1 96 96 TRP HB3 H 1 3.08 0.02 . 2 . . . . 96 TRP HB3 . 15664 1 1101 . 1 1 96 96 TRP HD1 H 1 7.20 0.02 . 1 . . . . 96 TRP HD1 . 15664 1 1102 . 1 1 96 96 TRP HE1 H 1 10.02 0.02 . 1 . . . . 96 TRP HE1 . 15664 1 1103 . 1 1 96 96 TRP HE3 H 1 7.61 0.02 . 1 . . . . 96 TRP HE3 . 15664 1 1104 . 1 1 96 96 TRP HH2 H 1 7.14 0.02 . 1 . . . . 96 TRP HH2 . 15664 1 1105 . 1 1 96 96 TRP HZ2 H 1 7.41 0.02 . 1 . . . . 96 TRP HZ2 . 15664 1 1106 . 1 1 96 96 TRP HZ3 H 1 7.05 0.02 . 1 . . . . 96 TRP HZ3 . 15664 1 1107 . 1 1 96 96 TRP CA C 13 55.2 0.3 . 1 . . . . 96 TRP CA . 15664 1 1108 . 1 1 96 96 TRP CB C 13 28.8 0.3 . 1 . . . . 96 TRP CB . 15664 1 1109 . 1 1 96 96 TRP CD1 C 13 127.3 0.3 . 1 . . . . 96 TRP CD1 . 15664 1 1110 . 1 1 96 96 TRP CE3 C 13 121.1 0.3 . 1 . . . . 96 TRP CE3 . 15664 1 1111 . 1 1 96 96 TRP CH2 C 13 124.8 0.3 . 1 . . . . 96 TRP CH2 . 15664 1 1112 . 1 1 96 96 TRP CZ2 C 13 115.8 0.3 . 1 . . . . 96 TRP CZ2 . 15664 1 1113 . 1 1 96 96 TRP CZ3 C 13 122.1 0.3 . 1 . . . . 96 TRP CZ3 . 15664 1 1114 . 1 1 96 96 TRP N N 15 122.4 0.3 . 1 . . . . 96 TRP N . 15664 1 1115 . 1 1 96 96 TRP NE1 N 15 130.3 0.3 . 1 . . . . 96 TRP NE1 . 15664 1 1116 . 1 1 97 97 PRO HA H 1 4.32 0.02 . 1 . . . . 97 PRO HA . 15664 1 1117 . 1 1 97 97 PRO HB2 H 1 2.15 0.02 . 2 . . . . 97 PRO HB2 . 15664 1 1118 . 1 1 97 97 PRO HB3 H 1 1.76 0.02 . 2 . . . . 97 PRO HB3 . 15664 1 1119 . 1 1 97 97 PRO HD2 H 1 3.52 0.02 . 1 . . . . 97 PRO HD2 . 15664 1 1120 . 1 1 97 97 PRO HG2 H 1 1.89 0.02 . 1 . . . . 97 PRO HG2 . 15664 1 1121 . 1 1 97 97 PRO C C 13 177.2 0.3 . 1 . . . . 97 PRO C . 15664 1 1122 . 1 1 97 97 PRO CA C 13 63.6 0.3 . 1 . . . . 97 PRO CA . 15664 1 1123 . 1 1 97 97 PRO CB C 13 32.2 0.3 . 1 . . . . 97 PRO CB . 15664 1 1124 . 1 1 97 97 PRO CD C 13 50.7 0.3 . 1 . . . . 97 PRO CD . 15664 1 1125 . 1 1 97 97 PRO CG C 13 27.5 0.3 . 1 . . . . 97 PRO CG . 15664 1 1126 . 1 1 98 98 GLN H H 1 8.33 0.02 . 1 . . . . 98 GLN H . 15664 1 1127 . 1 1 98 98 GLN HA H 1 4.31 0.02 . 1 . . . . 98 GLN HA . 15664 1 1128 . 1 1 98 98 GLN HB2 H 1 1.87 0.02 . 2 . . . . 98 GLN HB2 . 15664 1 1129 . 1 1 98 98 GLN HB3 H 1 1.97 0.02 . 2 . . . . 98 GLN HB3 . 15664 1 1130 . 1 1 98 98 GLN HG2 H 1 2.29 0.02 . 2 . . . . 98 GLN HG2 . 15664 1 1131 . 1 1 98 98 GLN HG3 H 1 2.34 0.02 . 2 . . . . 98 GLN HG3 . 15664 1 1132 . 1 1 98 98 GLN C C 13 176.1 0.3 . 1 . . . . 98 GLN C . 15664 1 1133 . 1 1 98 98 GLN CA C 13 55.6 0.3 . 1 . . . . 98 GLN CA . 15664 1 1134 . 1 1 98 98 GLN CB C 13 29.5 0.3 . 1 . . . . 98 GLN CB . 15664 1 1135 . 1 1 98 98 GLN CG C 13 32.0 0.3 . 1 . . . . 98 GLN CG . 15664 1 1136 . 1 1 98 98 GLN N N 15 121.4 0.3 . 1 . . . . 98 GLN N . 15664 1 1137 . 1 1 99 99 ILE H H 1 8.08 0.02 . 1 . . . . 99 ILE H . 15664 1 1138 . 1 1 99 99 ILE HA H 1 4.07 0.02 . 1 . . . . 99 ILE HA . 15664 1 1139 . 1 1 99 99 ILE HB H 1 1.73 0.02 . 1 . . . . 99 ILE HB . 15664 1 1140 . 1 1 99 99 ILE HD11 H 1 0.65 0.02 . 1 . . . . 99 ILE HD1 . 15664 1 1141 . 1 1 99 99 ILE HD12 H 1 0.65 0.02 . 1 . . . . 99 ILE HD1 . 15664 1 1142 . 1 1 99 99 ILE HD13 H 1 0.65 0.02 . 1 . . . . 99 ILE HD1 . 15664 1 1143 . 1 1 99 99 ILE HG12 H 1 1.08 0.02 . 2 . . . . 99 ILE HG12 . 15664 1 1144 . 1 1 99 99 ILE HG13 H 1 1.37 0.02 . 2 . . . . 99 ILE HG13 . 15664 1 1145 . 1 1 99 99 ILE HG21 H 1 0.75 0.02 . 1 . . . . 99 ILE HG2 . 15664 1 1146 . 1 1 99 99 ILE HG22 H 1 0.75 0.02 . 1 . . . . 99 ILE HG2 . 15664 1 1147 . 1 1 99 99 ILE HG23 H 1 0.75 0.02 . 1 . . . . 99 ILE HG2 . 15664 1 1148 . 1 1 99 99 ILE C C 13 175.5 0.3 . 1 . . . . 99 ILE C . 15664 1 1149 . 1 1 99 99 ILE CA C 13 61.3 0.3 . 1 . . . . 99 ILE CA . 15664 1 1150 . 1 1 99 99 ILE CB C 13 38.6 0.3 . 1 . . . . 99 ILE CB . 15664 1 1151 . 1 1 99 99 ILE CD1 C 13 12.8 0.3 . 1 . . . . 99 ILE CD1 . 15664 1 1152 . 1 1 99 99 ILE CG1 C 13 27.0 0.3 . 1 . . . . 99 ILE CG1 . 15664 1 1153 . 1 1 99 99 ILE CG2 C 13 17.7 0.3 . 1 . . . . 99 ILE CG2 . 15664 1 1154 . 1 1 99 99 ILE N N 15 124.4 0.3 . 1 . . . . 99 ILE N . 15664 1 1155 . 1 1 100 100 LEU H H 1 7.79 0.02 . 1 . . . . 100 LEU H . 15664 1 1156 . 1 1 100 100 LEU HA H 1 4.10 0.02 . 1 . . . . 100 LEU HA . 15664 1 1157 . 1 1 100 100 LEU HB2 H 1 1.47 0.02 . 1 . . . . 100 LEU HB2 . 15664 1 1158 . 1 1 100 100 LEU HD11 H 1 0.79 0.02 . 1 . . . . 100 LEU HD1 . 15664 1 1159 . 1 1 100 100 LEU HD12 H 1 0.79 0.02 . 1 . . . . 100 LEU HD1 . 15664 1 1160 . 1 1 100 100 LEU HD13 H 1 0.79 0.02 . 1 . . . . 100 LEU HD1 . 15664 1 1161 . 1 1 100 100 LEU HD21 H 1 0.75 0.02 . 1 . . . . 100 LEU HD2 . 15664 1 1162 . 1 1 100 100 LEU HD22 H 1 0.75 0.02 . 1 . . . . 100 LEU HD2 . 15664 1 1163 . 1 1 100 100 LEU HD23 H 1 0.75 0.02 . 1 . . . . 100 LEU HD2 . 15664 1 1164 . 1 1 100 100 LEU HG H 1 1.47 0.02 . 1 . . . . 100 LEU HG . 15664 1 1165 . 1 1 100 100 LEU CA C 13 56.8 0.3 . 1 . . . . 100 LEU CA . 15664 1 1166 . 1 1 100 100 LEU CB C 13 43.7 0.3 . 1 . . . . 100 LEU CB . 15664 1 1167 . 1 1 100 100 LEU CD1 C 13 25.4 0.3 . 1 . . . . 100 LEU CD1 . 15664 1 1168 . 1 1 100 100 LEU CD2 C 13 23.8 0.3 . 1 . . . . 100 LEU CD2 . 15664 1 1169 . 1 1 100 100 LEU CG C 13 27.5 0.3 . 1 . . . . 100 LEU CG . 15664 1 1170 . 1 1 100 100 LEU N N 15 133.6 0.3 . 1 . . . . 100 LEU N . 15664 1 stop_ save_