data_18201 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18201 _Entry.Title ; 1H, 13C and 15N resonance assignments of the periplasmic signaling domain of HasR, a TonB-dependent outer membrane heme transporter ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-18 _Entry.Accession_date 2012-01-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Idir Malki . . . 18201 2 Gisele 'Cardoso de Amorim' . . . 18201 3 Catherine Simenel . . . 18201 4 Ada Prochnicka-Chalufour . . . 18201 5 Muriel Delepierre . . . 18201 6 Nadia Izadi-Pruneyre . . . 18201 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'laboratoire de RMN des Biomolecules; Institut Pasteur-CNRS UMR 3528' . 18201 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18201 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 403 18201 '15N chemical shifts' 107 18201 '1H chemical shifts' 657 18201 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 2 . . 2013-03-25 2012-01-18 update BMRB 'update entry citation' 18201 1 . . 2012-03-23 2012-01-18 original author 'original release' 18201 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M5J 'BMRB Entry Tracking System' 18201 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18201 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22415545 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N resonance assignments of the periplasmic signalling domain of HasR, a TonB-dependent outer membrane heme transporter.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _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 43 _Citation.Page_last 46 _Citation.Year 2013 _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 Idir Malki . . . 18201 1 2 Gisele 'Cardoso de Amorim' . . . 18201 1 3 Catherine Simenel . . . 18201 1 4 Ada Prochnicka-Chalufour . . . 18201 1 5 Muriel Delepierre . . . 18201 1 6 Nadia Izadi-Pruneyre . . . 18201 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HasR 18201 1 'Heme transport' 18201 1 'NMR assignment' 18201 1 'Transmembrane signaling' 18201 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18201 _Assembly.ID 1 _Assembly.Name 'HasR N-terminal periplasmic signaling domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'HasR N-terminal periplasmic signaling domain' 1 $HasR_N-terminal_periplasmic_signaling_domain A . yes native no no . . . 18201 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Heme Transport Protein HasR' 18201 1 'Transmembrane signaling' 18201 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HasR_N-terminal_periplasmic_signaling_domain _Entity.Sf_category entity _Entity.Sf_framecode HasR_N-terminal_periplasmic_signaling_domain _Entity.Entry_ID 18201 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HasR_N-terminal_periplasmic_signaling_domain _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 ; SMAQAAQQKNFNIAAQPLQS AMLRFAEQAGMQVFFDEVKL DGMQAAALNGSMSVEQGLRR LIGGNPVAFRLQPQGQIVLS RLPTANGDGGALALDSLTVL GAGGNNA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M5J . "Solution Structure Of The Periplasmic Signaling Domain Of Hasr, A Tonb-dependent Outer Membrane Heme Transporter" . . . . . 100.00 107 100.00 100.00 2.56e-66 . . . . 18201 1 2 no PDB 3CSL . "Structure Of The Serratia Marcescens Hemophore Receptor Hasr In Complex With Its Hemophore Hasa And Heme" . . . . . 100.00 865 99.07 99.07 6.46e-61 . . . . 18201 1 3 no PDB 3CSN . "Structure Of The Serratia Marcescens Hemophore Receptor Hasr In Complex With Its Hemophore Hasa" . . . . . 100.00 865 99.07 99.07 6.46e-61 . . . . 18201 1 4 no PDB 3DDR . "Structure Of The Serratia Marcescens Hemophore Receptor Hasr-Ile671gly Mutant In Complex With Its Hemophore Hasa And Heme" . . . . . 100.00 865 99.07 99.07 7.34e-61 . . . . 18201 1 5 no DBJ BAO32406 . "TonB-dependent heme receptor [Serratia marcescens SM39]" . . . . . 98.13 899 98.10 99.05 2.11e-58 . . . . 18201 1 6 no EMBL CAE46936 . "hasR [Serratia marcescens]" . . . . . 100.00 899 99.07 99.07 9.49e-61 . . . . 18201 1 7 no EMBL CDG10875 . "TonB-dependent heme receptor [Serratia marcescens subsp. marcescens Db11]" . . . . . 98.13 899 98.10 98.10 2.90e-58 . . . . 18201 1 8 no GB ALL36750 . "TonB-dependent receptor [Serratia marcescens]" . . . . . 98.13 895 97.14 98.10 2.26e-57 . . . . 18201 1 9 no GB EMF03485 . "TonB-dependent heme receptor [Serratia marcescens VGH107]" . . . . . 98.13 895 97.14 99.05 9.50e-58 . . . . 18201 1 10 no GB ERH72206 . "hypothetical protein N040_03715 [Serratia marcescens EGD-HP20]" . . . . . 98.13 895 97.14 99.05 1.02e-57 . . . . 18201 1 11 no GB ETX40680 . "hypothetical protein P805_03512 [Serratia marcescens BIDMC 44]" . . . . . 98.13 895 97.14 99.05 4.07e-58 . . . . 18201 1 12 no GB KFD10590 . "iron siderophore receptor protein [Serratia marcescens subsp. marcescens ATCC 13880]" . . . . . 100.00 899 99.07 99.07 9.49e-61 . . . . 18201 1 13 no REF WP_004940484 . "TonB-dependent receptor [Serratia marcescens]" . . . . . 98.13 895 97.14 99.05 9.50e-58 . . . . 18201 1 14 no REF WP_016928899 . "hypothetical protein [Serratia marcescens]" . . . . . 98.13 899 99.05 99.05 4.30e-59 . . . . 18201 1 15 no REF WP_019454232 . "hypothetical protein [Serratia marcescens]" . . . . . 97.20 895 97.12 97.12 8.32e-57 . . . . 18201 1 16 no REF WP_021504699 . "hypothetical protein [Serratia marcescens]" . . . . . 98.13 895 97.14 99.05 1.02e-57 . . . . 18201 1 17 no REF WP_025301725 . "TonB-dependent receptor [Serratia marcescens]" . . . . . 98.13 899 98.10 98.10 2.90e-58 . . . . 18201 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Heme Transport Protein HasR' 18201 1 'Transmembrane signaling' 18201 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 . SER . 18201 1 2 . MET . 18201 1 3 . ALA . 18201 1 4 . GLN . 18201 1 5 . ALA . 18201 1 6 . ALA . 18201 1 7 . GLN . 18201 1 8 . GLN . 18201 1 9 . LYS . 18201 1 10 . ASN . 18201 1 11 . PHE . 18201 1 12 . ASN . 18201 1 13 . ILE . 18201 1 14 . ALA . 18201 1 15 . ALA . 18201 1 16 . GLN . 18201 1 17 . PRO . 18201 1 18 . LEU . 18201 1 19 . GLN . 18201 1 20 . SER . 18201 1 21 . ALA . 18201 1 22 . MET . 18201 1 23 . LEU . 18201 1 24 . ARG . 18201 1 25 . PHE . 18201 1 26 . ALA . 18201 1 27 . GLU . 18201 1 28 . GLN . 18201 1 29 . ALA . 18201 1 30 . GLY . 18201 1 31 . MET . 18201 1 32 . GLN . 18201 1 33 . VAL . 18201 1 34 . PHE . 18201 1 35 . PHE . 18201 1 36 . ASP . 18201 1 37 . GLU . 18201 1 38 . VAL . 18201 1 39 . LYS . 18201 1 40 . LEU . 18201 1 41 . ASP . 18201 1 42 . GLY . 18201 1 43 . MET . 18201 1 44 . GLN . 18201 1 45 . ALA . 18201 1 46 . ALA . 18201 1 47 . ALA . 18201 1 48 . LEU . 18201 1 49 . ASN . 18201 1 50 . GLY . 18201 1 51 . SER . 18201 1 52 . MET . 18201 1 53 . SER . 18201 1 54 . VAL . 18201 1 55 . GLU . 18201 1 56 . GLN . 18201 1 57 . GLY . 18201 1 58 . LEU . 18201 1 59 . ARG . 18201 1 60 . ARG . 18201 1 61 . LEU . 18201 1 62 . ILE . 18201 1 63 . GLY . 18201 1 64 . GLY . 18201 1 65 . ASN . 18201 1 66 . PRO . 18201 1 67 . VAL . 18201 1 68 . ALA . 18201 1 69 . PHE . 18201 1 70 . ARG . 18201 1 71 . LEU . 18201 1 72 . GLN . 18201 1 73 . PRO . 18201 1 74 . GLN . 18201 1 75 . GLY . 18201 1 76 . GLN . 18201 1 77 . ILE . 18201 1 78 . VAL . 18201 1 79 . LEU . 18201 1 80 . SER . 18201 1 81 . ARG . 18201 1 82 . LEU . 18201 1 83 . PRO . 18201 1 84 . THR . 18201 1 85 . ALA . 18201 1 86 . ASN . 18201 1 87 . GLY . 18201 1 88 . ASP . 18201 1 89 . GLY . 18201 1 90 . GLY . 18201 1 91 . ALA . 18201 1 92 . LEU . 18201 1 93 . ALA . 18201 1 94 . LEU . 18201 1 95 . ASP . 18201 1 96 . SER . 18201 1 97 . LEU . 18201 1 98 . THR . 18201 1 99 . VAL . 18201 1 100 . LEU . 18201 1 101 . GLY . 18201 1 102 . ALA . 18201 1 103 . GLY . 18201 1 104 . GLY . 18201 1 105 . ASN . 18201 1 106 . ASN . 18201 1 107 . ALA . 18201 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 . SER 1 1 18201 1 . MET 2 2 18201 1 . ALA 3 3 18201 1 . GLN 4 4 18201 1 . ALA 5 5 18201 1 . ALA 6 6 18201 1 . GLN 7 7 18201 1 . GLN 8 8 18201 1 . LYS 9 9 18201 1 . ASN 10 10 18201 1 . PHE 11 11 18201 1 . ASN 12 12 18201 1 . ILE 13 13 18201 1 . ALA 14 14 18201 1 . ALA 15 15 18201 1 . GLN 16 16 18201 1 . PRO 17 17 18201 1 . LEU 18 18 18201 1 . GLN 19 19 18201 1 . SER 20 20 18201 1 . ALA 21 21 18201 1 . MET 22 22 18201 1 . LEU 23 23 18201 1 . ARG 24 24 18201 1 . PHE 25 25 18201 1 . ALA 26 26 18201 1 . GLU 27 27 18201 1 . GLN 28 28 18201 1 . ALA 29 29 18201 1 . GLY 30 30 18201 1 . MET 31 31 18201 1 . GLN 32 32 18201 1 . VAL 33 33 18201 1 . PHE 34 34 18201 1 . PHE 35 35 18201 1 . ASP 36 36 18201 1 . GLU 37 37 18201 1 . VAL 38 38 18201 1 . LYS 39 39 18201 1 . LEU 40 40 18201 1 . ASP 41 41 18201 1 . GLY 42 42 18201 1 . MET 43 43 18201 1 . GLN 44 44 18201 1 . ALA 45 45 18201 1 . ALA 46 46 18201 1 . ALA 47 47 18201 1 . LEU 48 48 18201 1 . ASN 49 49 18201 1 . GLY 50 50 18201 1 . SER 51 51 18201 1 . MET 52 52 18201 1 . SER 53 53 18201 1 . VAL 54 54 18201 1 . GLU 55 55 18201 1 . GLN 56 56 18201 1 . GLY 57 57 18201 1 . LEU 58 58 18201 1 . ARG 59 59 18201 1 . ARG 60 60 18201 1 . LEU 61 61 18201 1 . ILE 62 62 18201 1 . GLY 63 63 18201 1 . GLY 64 64 18201 1 . ASN 65 65 18201 1 . PRO 66 66 18201 1 . VAL 67 67 18201 1 . ALA 68 68 18201 1 . PHE 69 69 18201 1 . ARG 70 70 18201 1 . LEU 71 71 18201 1 . GLN 72 72 18201 1 . PRO 73 73 18201 1 . GLN 74 74 18201 1 . GLY 75 75 18201 1 . GLN 76 76 18201 1 . ILE 77 77 18201 1 . VAL 78 78 18201 1 . LEU 79 79 18201 1 . SER 80 80 18201 1 . ARG 81 81 18201 1 . LEU 82 82 18201 1 . PRO 83 83 18201 1 . THR 84 84 18201 1 . ALA 85 85 18201 1 . ASN 86 86 18201 1 . GLY 87 87 18201 1 . ASP 88 88 18201 1 . GLY 89 89 18201 1 . GLY 90 90 18201 1 . ALA 91 91 18201 1 . LEU 92 92 18201 1 . ALA 93 93 18201 1 . LEU 94 94 18201 1 . ASP 95 95 18201 1 . SER 96 96 18201 1 . LEU 97 97 18201 1 . THR 98 98 18201 1 . VAL 99 99 18201 1 . LEU 100 100 18201 1 . GLY 101 101 18201 1 . ALA 102 102 18201 1 . GLY 103 103 18201 1 . GLY 104 104 18201 1 . ASN 105 105 18201 1 . ASN 106 106 18201 1 . ALA 107 107 18201 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 18201 _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 $HasR_N-terminal_periplasmic_signaling_domain . 615 organism . 'Serratia marcescens' 'Serratia marcescens' . . Bacteria . Serratia marcescens 'Serratia marcescens' . . . . . . . . . . . . . . . . . 'Serratia marcescens' . . 18201 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 18201 _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 $HasR_N-terminal_periplasmic_signaling_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET41 . . . . . . 18201 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18201 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '85% H2O/15% 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 HasR_N-terminal_periplasmic_signaling_domain '[U-99% 13C; U-99% 15N]' . . 1 $HasR_N-terminal_periplasmic_signaling_domain . . 0.5 . . mM . . . . 18201 1 2 'Sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18201 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18201 1 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 18201 _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' 0.1 . M 18201 1 pH 7.0 . pH 18201 1 pressure 1 . atm 18201 1 temperature 293 . K 18201 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 18201 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18201 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18201 1 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 18201 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18201 _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 Varian 'NMR System' . 600 . . . 18201 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 18201 _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 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18201 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18201 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18201 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18201 1 5 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18201 1 6 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18201 1 7 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18201 1 8 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18201 1 9 '2D HbCbCgCdHd' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18201 1 10 '2D HbCbCgCdCeHe' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18201 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18201 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CcpNmr_Analysis _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18201 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18201 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18201 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18201 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 18201 _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' . . . 18201 1 2 '2D 1H-13C HSQC' . . . 18201 1 3 '3D CBCA(CO)NH' . . . 18201 1 4 '3D HNCACB' . . . 18201 1 5 '3D HNCO' . . . 18201 1 6 '3D C(CO)NH' . . . 18201 1 7 '3D H(CCO)NH' . . . 18201 1 8 '3D HCCH-TOCSY' . . . 18201 1 9 '2D HbCbCgCdHd' . . . 18201 1 10 '2D HbCbCgCdCeHe' . . . 18201 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 MET HA H 1 4.472 0.000 . 1 . . . . 2 MET HA . 18201 1 2 . 1 1 2 2 MET HB2 H 1 2.045 0.000 . 1 . . . . 2 MET HB2 . 18201 1 3 . 1 1 2 2 MET HB3 H 1 2.045 0.000 . 1 . . . . 2 MET HB3 . 18201 1 4 . 1 1 2 2 MET HG2 H 1 2.546 0.000 . 1 . . . . 2 MET HG2 . 18201 1 5 . 1 1 2 2 MET HG3 H 1 2.546 0.000 . 1 . . . . 2 MET HG3 . 18201 1 6 . 1 1 2 2 MET C C 13 176.304 0.000 . 1 . . . . 2 MET C . 18201 1 7 . 1 1 2 2 MET CA C 13 55.647 0.000 . 1 . . . . 2 MET CA . 18201 1 8 . 1 1 2 2 MET CB C 13 32.892 0.000 . 1 . . . . 2 MET CB . 18201 1 9 . 1 1 2 2 MET CG C 13 31.979 0.000 . 1 . . . . 2 MET CG . 18201 1 10 . 1 1 3 3 ALA H H 1 8.500 0.000 . 1 . . . . 3 ALA H . 18201 1 11 . 1 1 3 3 ALA HA H 1 4.236 0.000 . 1 . . . . 3 ALA HA . 18201 1 12 . 1 1 3 3 ALA HB1 H 1 1.350 0.011 . 1 . . . . 3 ALA HB1 . 18201 1 13 . 1 1 3 3 ALA HB2 H 1 1.350 0.011 . 1 . . . . 3 ALA HB2 . 18201 1 14 . 1 1 3 3 ALA HB3 H 1 1.350 0.011 . 1 . . . . 3 ALA HB3 . 18201 1 15 . 1 1 3 3 ALA C C 13 178.261 0.000 . 1 . . . . 3 ALA C . 18201 1 16 . 1 1 3 3 ALA CA C 13 53.051 0.000 . 1 . . . . 3 ALA CA . 18201 1 17 . 1 1 3 3 ALA CB C 13 18.983 0.1 . 1 . . . . 3 ALA CB . 18201 1 18 . 1 1 3 3 ALA N N 15 125.722 0.000 . 1 . . . . 3 ALA N . 18201 1 19 . 1 1 4 4 GLN H H 1 8.360 0.000 . 1 . . . . 4 GLN H . 18201 1 20 . 1 1 4 4 GLN HA H 1 4.198 0.026 . 1 . . . . 4 GLN HA . 18201 1 21 . 1 1 4 4 GLN HB2 H 1 1.988 0.000 . 2 . . . . 4 GLN HB2 . 18201 1 22 . 1 1 4 4 GLN HB3 H 1 2.013 0.026 . 2 . . . . 4 GLN HB3 . 18201 1 23 . 1 1 4 4 GLN HG2 H 1 2.390 0.000 . 2 . . . . 4 GLN HG2 . 18201 1 24 . 1 1 4 4 GLN HG3 H 1 2.324 0.000 . 2 . . . . 4 GLN HG3 . 18201 1 25 . 1 1 4 4 GLN C C 13 176.504 0.000 . 1 . . . . 4 GLN C . 18201 1 26 . 1 1 4 4 GLN CA C 13 56.149 0.119 . 1 . . . . 4 GLN CA . 18201 1 27 . 1 1 4 4 GLN CB C 13 29.140 0.000 . 1 . . . . 4 GLN CB . 18201 1 28 . 1 1 4 4 GLN CG C 13 33.769 0.000 . 1 . . . . 4 GLN CG . 18201 1 29 . 1 1 4 4 GLN N N 15 119.569 0.000 . 1 . . . . 4 GLN N . 18201 1 30 . 1 1 5 5 ALA H H 1 8.256 0.001 . 1 . . . . 5 ALA H . 18201 1 31 . 1 1 5 5 ALA HA H 1 4.168 0.009 . 1 . . . . 5 ALA HA . 18201 1 32 . 1 1 5 5 ALA HB1 H 1 1.395 0.015 . 1 . . . . 5 ALA HB1 . 18201 1 33 . 1 1 5 5 ALA HB2 H 1 1.395 0.015 . 1 . . . . 5 ALA HB2 . 18201 1 34 . 1 1 5 5 ALA HB3 H 1 1.395 0.015 . 1 . . . . 5 ALA HB3 . 18201 1 35 . 1 1 5 5 ALA C C 13 177.473 0.000 . 1 . . . . 5 ALA C . 18201 1 36 . 1 1 5 5 ALA CA C 13 52.905 0.000 . 1 . . . . 5 ALA CA . 18201 1 37 . 1 1 5 5 ALA CB C 13 19.407 0.000 . 1 . . . . 5 ALA CB . 18201 1 38 . 1 1 5 5 ALA N N 15 123.621 0.007 . 1 . . . . 5 ALA N . 18201 1 39 . 1 1 6 6 ALA H H 1 8.018 0.001 . 1 . . . . 6 ALA H . 18201 1 40 . 1 1 6 6 ALA HA H 1 4.333 0.000 . 1 . . . . 6 ALA HA . 18201 1 41 . 1 1 6 6 ALA HB1 H 1 1.410 0.006 . 1 . . . . 6 ALA HB1 . 18201 1 42 . 1 1 6 6 ALA HB2 H 1 1.410 0.006 . 1 . . . . 6 ALA HB2 . 18201 1 43 . 1 1 6 6 ALA HB3 H 1 1.410 0.006 . 1 . . . . 6 ALA HB3 . 18201 1 44 . 1 1 6 6 ALA C C 13 174.869 0.000 . 1 . . . . 6 ALA C . 18201 1 45 . 1 1 6 6 ALA CA C 13 52.316 0.000 . 1 . . . . 6 ALA CA . 18201 1 46 . 1 1 6 6 ALA CB C 13 18.968 0.000 . 1 . . . . 6 ALA CB . 18201 1 47 . 1 1 6 6 ALA N N 15 120.811 0.022 . 1 . . . . 6 ALA N . 18201 1 48 . 1 1 7 7 GLN H H 1 8.022 0.001 . 1 . . . . 7 GLN H . 18201 1 49 . 1 1 7 7 GLN HA H 1 4.165 0.014 . 1 . . . . 7 GLN HA . 18201 1 50 . 1 1 7 7 GLN HG2 H 1 2.383 0.011 . 2 . . . . 7 GLN HG2 . 18201 1 51 . 1 1 7 7 GLN HG3 H 1 2.380 0.009 . 2 . . . . 7 GLN HG3 . 18201 1 52 . 1 1 7 7 GLN C C 13 175.651 0.000 . 1 . . . . 7 GLN C . 18201 1 53 . 1 1 7 7 GLN CA C 13 56.267 0.000 . 1 . . . . 7 GLN CA . 18201 1 54 . 1 1 7 7 GLN CB C 13 29.404 0.000 . 1 . . . . 7 GLN CB . 18201 1 55 . 1 1 7 7 GLN CG C 13 33.769 0.000 . 1 . . . . 7 GLN CG . 18201 1 56 . 1 1 7 7 GLN N N 15 119.222 0.024 . 1 . . . . 7 GLN N . 18201 1 57 . 1 1 8 8 GLN H H 1 8.329 0.002 . 1 . . . . 8 GLN H . 18201 1 58 . 1 1 8 8 GLN HA H 1 4.157 0.003 . 1 . . . . 8 GLN HA . 18201 1 59 . 1 1 8 8 GLN HB2 H 1 2.076 0.005 . 2 . . . . 8 GLN HB2 . 18201 1 60 . 1 1 8 8 GLN HB3 H 1 2.076 0.005 . 2 . . . . 8 GLN HB3 . 18201 1 61 . 1 1 8 8 GLN HG2 H 1 2.248 0.001 . 1 . . . . 8 GLN HG2 . 18201 1 62 . 1 1 8 8 GLN HG3 H 1 2.248 0.001 . 1 . . . . 8 GLN HG3 . 18201 1 63 . 1 1 8 8 GLN C C 13 175.334 0.000 . 1 . . . . 8 GLN C . 18201 1 64 . 1 1 8 8 GLN CA C 13 55.216 0.000 . 1 . . . . 8 GLN CA . 18201 1 65 . 1 1 8 8 GLN CB C 13 29.849 0.000 . 1 . . . . 8 GLN CB . 18201 1 66 . 1 1 8 8 GLN N N 15 121.224 0.042 . 1 . . . . 8 GLN N . 18201 1 67 . 1 1 9 9 LYS H H 1 8.456 0.012 . 1 . . . . 9 LYS H . 18201 1 68 . 1 1 9 9 LYS HA H 1 4.297 0.006 . 1 . . . . 9 LYS HA . 18201 1 69 . 1 1 9 9 LYS HB2 H 1 1.055 0.014 . 2 . . . . 9 LYS HB2 . 18201 1 70 . 1 1 9 9 LYS HB3 H 1 0.860 0.004 . 2 . . . . 9 LYS HB3 . 18201 1 71 . 1 1 9 9 LYS HG2 H 1 1.158 0.015 . 2 . . . . 9 LYS HG2 . 18201 1 72 . 1 1 9 9 LYS HG3 H 1 1.058 0.012 . 2 . . . . 9 LYS HG3 . 18201 1 73 . 1 1 9 9 LYS HD2 H 1 1.599 0.009 . 2 . . . . 9 LYS HD2 . 18201 1 74 . 1 1 9 9 LYS HD3 H 1 1.397 0.012 . 2 . . . . 9 LYS HD3 . 18201 1 75 . 1 1 9 9 LYS HE2 H 1 2.710 0.002 . 2 . . . . 9 LYS HE2 . 18201 1 76 . 1 1 9 9 LYS HE3 H 1 2.932 0.007 . 2 . . . . 9 LYS HE3 . 18201 1 77 . 1 1 9 9 LYS C C 13 173.305 0.000 . 1 . . . . 9 LYS C . 18201 1 78 . 1 1 9 9 LYS CA C 13 52.851 0.000 . 1 . . . . 9 LYS CA . 18201 1 79 . 1 1 9 9 LYS CB C 13 34.873 0.000 . 1 . . . . 9 LYS CB . 18201 1 80 . 1 1 9 9 LYS CG C 13 24.017 0.000 . 1 . . . . 9 LYS CG . 18201 1 81 . 1 1 9 9 LYS CD C 13 28.214 0.021 . 1 . . . . 9 LYS CD . 18201 1 82 . 1 1 9 9 LYS CE C 13 42.058 0.056 . 1 . . . . 9 LYS CE . 18201 1 83 . 1 1 9 9 LYS N N 15 122.428 0.08 . 1 . . . . 9 LYS N . 18201 1 84 . 1 1 10 10 ASN H H 1 7.810 0.002 . 1 . . . . 10 ASN H . 18201 1 85 . 1 1 10 10 ASN HA H 1 4.754 0.006 . 1 . . . . 10 ASN HA . 18201 1 86 . 1 1 10 10 ASN HB2 H 1 2.456 0.008 . 2 . . . . 10 ASN HB2 . 18201 1 87 . 1 1 10 10 ASN HB3 H 1 2.393 0.0 . 2 . . . . 10 ASN HB3 . 18201 1 88 . 1 1 10 10 ASN HD21 H 1 7.427 0.002 . 1 . . . . 10 ASN HD21 . 18201 1 89 . 1 1 10 10 ASN HD22 H 1 6.792 0.000 . 1 . . . . 10 ASN HD22 . 18201 1 90 . 1 1 10 10 ASN C C 13 174.237 0.000 . 1 . . . . 10 ASN C . 18201 1 91 . 1 1 10 10 ASN CA C 13 52.468 0.000 . 1 . . . . 10 ASN CA . 18201 1 92 . 1 1 10 10 ASN CB C 13 39.310 0.000 . 1 . . . . 10 ASN CB . 18201 1 93 . 1 1 10 10 ASN N N 15 116.686 0.039 . 1 . . . . 10 ASN N . 18201 1 94 . 1 1 10 10 ASN ND2 N 15 113.038 0.028 . 1 . . . . 10 ASN ND2 . 18201 1 95 . 1 1 11 11 PHE H H 1 8.498 0.009 . 1 . . . . 11 PHE H . 18201 1 96 . 1 1 11 11 PHE HA H 1 5.160 0.003 . 1 . . . . 11 PHE HA . 18201 1 97 . 1 1 11 11 PHE HB2 H 1 2.549 0.008 . 2 . . . . 11 PHE HB2 . 18201 1 98 . 1 1 11 11 PHE HB3 H 1 2.893 0.009 . 2 . . . . 11 PHE HB3 . 18201 1 99 . 1 1 11 11 PHE HD1 H 1 7.010 0.004 . 3 . . . . 11 PHE HD1 . 18201 1 100 . 1 1 11 11 PHE HD2 H 1 7.257 0.01 . 3 . . . . 11 PHE HD2 . 18201 1 101 . 1 1 11 11 PHE HE1 H 1 6.674 0.006 . 3 . . . . 11 PHE HE1 . 18201 1 102 . 1 1 11 11 PHE HE2 H 1 6.408 0.017 . 3 . . . . 11 PHE HE2 . 18201 1 103 . 1 1 11 11 PHE C C 13 176.177 0.000 . 1 . . . . 11 PHE C . 18201 1 104 . 1 1 11 11 PHE CA C 13 57.149 0.000 . 1 . . . . 11 PHE CA . 18201 1 105 . 1 1 11 11 PHE CB C 13 43.267 0.204 . 1 . . . . 11 PHE CB . 18201 1 106 . 1 1 11 11 PHE CD2 C 13 131.827 0.05 . 3 . . . . 11 PHE CD2 . 18201 1 107 . 1 1 11 11 PHE CE2 C 13 129.649 0.014 . 3 . . . . 11 PHE CE2 . 18201 1 108 . 1 1 11 11 PHE N N 15 122.731 0.041 . 1 . . . . 11 PHE N . 18201 1 109 . 1 1 12 12 ASN H H 1 9.541 0.003 . 1 . . . . 12 ASN H . 18201 1 110 . 1 1 12 12 ASN HA H 1 5.170 0.004 . 1 . . . . 12 ASN HA . 18201 1 111 . 1 1 12 12 ASN HB2 H 1 2.759 0.008 . 2 . . . . 12 ASN HB2 . 18201 1 112 . 1 1 12 12 ASN HB3 H 1 2.660 0.005 . 2 . . . . 12 ASN HB3 . 18201 1 113 . 1 1 12 12 ASN HD21 H 1 7.560 0.001 . 1 . . . . 12 ASN HD21 . 18201 1 114 . 1 1 12 12 ASN HD22 H 1 6.703 0.003 . 1 . . . . 12 ASN HD22 . 18201 1 115 . 1 1 12 12 ASN C C 13 173.869 0.000 . 1 . . . . 12 ASN C . 18201 1 116 . 1 1 12 12 ASN CA C 13 53.634 0.000 . 1 . . . . 12 ASN CA . 18201 1 117 . 1 1 12 12 ASN CB C 13 39.136 0.000 . 1 . . . . 12 ASN CB . 18201 1 118 . 1 1 12 12 ASN N N 15 120.077 0.033 . 1 . . . . 12 ASN N . 18201 1 119 . 1 1 12 12 ASN ND2 N 15 111.503 0.056 . 1 . . . . 12 ASN ND2 . 18201 1 120 . 1 1 13 13 ILE H H 1 9.340 0.002 . 1 . . . . 13 ILE H . 18201 1 121 . 1 1 13 13 ILE HA H 1 4.174 0.002 . 1 . . . . 13 ILE HA . 18201 1 122 . 1 1 13 13 ILE HB H 1 1.753 0.021 . 1 . . . . 13 ILE HB . 18201 1 123 . 1 1 13 13 ILE HG12 H 1 1.770 0.027 . 2 . . . . 13 ILE HG12 . 18201 1 124 . 1 1 13 13 ILE HG13 H 1 1.053 0.012 . 2 . . . . 13 ILE HG13 . 18201 1 125 . 1 1 13 13 ILE HG21 H 1 0.956 0.016 . 1 . . . . 13 ILE HG21 . 18201 1 126 . 1 1 13 13 ILE HG22 H 1 0.956 0.016 . 1 . . . . 13 ILE HG22 . 18201 1 127 . 1 1 13 13 ILE HG23 H 1 0.956 0.016 . 1 . . . . 13 ILE HG23 . 18201 1 128 . 1 1 13 13 ILE HD11 H 1 0.959 0.011 . 1 . . . . 13 ILE HD11 . 18201 1 129 . 1 1 13 13 ILE HD12 H 1 0.959 0.011 . 1 . . . . 13 ILE HD12 . 18201 1 130 . 1 1 13 13 ILE HD13 H 1 0.959 0.011 . 1 . . . . 13 ILE HD13 . 18201 1 131 . 1 1 13 13 ILE C C 13 174.723 0.000 . 1 . . . . 13 ILE C . 18201 1 132 . 1 1 13 13 ILE CA C 13 60.462 0.000 . 1 . . . . 13 ILE CA . 18201 1 133 . 1 1 13 13 ILE CB C 13 41.254 0.000 . 1 . . . . 13 ILE CB . 18201 1 134 . 1 1 13 13 ILE CG1 C 13 27.587 0.036 . 1 . . . . 13 ILE CG1 . 18201 1 135 . 1 1 13 13 ILE CG2 C 13 17.364 0.021 . 1 . . . . 13 ILE CG2 . 18201 1 136 . 1 1 13 13 ILE CD1 C 13 13.885 0.025 . 1 . . . . 13 ILE CD1 . 18201 1 137 . 1 1 13 13 ILE N N 15 127.370 0.026 . 1 . . . . 13 ILE N . 18201 1 138 . 1 1 14 14 ALA H H 1 8.591 0.006 . 1 . . . . 14 ALA H . 18201 1 139 . 1 1 14 14 ALA HA H 1 4.251 0.003 . 1 . . . . 14 ALA HA . 18201 1 140 . 1 1 14 14 ALA HB1 H 1 1.317 0.011 . 1 . . . . 14 ALA HB1 . 18201 1 141 . 1 1 14 14 ALA HB2 H 1 1.317 0.011 . 1 . . . . 14 ALA HB2 . 18201 1 142 . 1 1 14 14 ALA HB3 H 1 1.317 0.011 . 1 . . . . 14 ALA HB3 . 18201 1 143 . 1 1 14 14 ALA C C 13 177.651 0.000 . 1 . . . . 14 ALA C . 18201 1 144 . 1 1 14 14 ALA CA C 13 51.529 0.000 . 1 . . . . 14 ALA CA . 18201 1 145 . 1 1 14 14 ALA CB C 13 19.039 0.131 . 1 . . . . 14 ALA CB . 18201 1 146 . 1 1 14 14 ALA N N 15 130.714 0.01 . 1 . . . . 14 ALA N . 18201 1 147 . 1 1 15 15 ALA H H 1 8.568 0.003 . 1 . . . . 15 ALA H . 18201 1 148 . 1 1 15 15 ALA HA H 1 4.038 0.005 . 1 . . . . 15 ALA HA . 18201 1 149 . 1 1 15 15 ALA HB1 H 1 1.387 0.027 . 1 . . . . 15 ALA HB1 . 18201 1 150 . 1 1 15 15 ALA HB2 H 1 1.387 0.027 . 1 . . . . 15 ALA HB2 . 18201 1 151 . 1 1 15 15 ALA HB3 H 1 1.387 0.027 . 1 . . . . 15 ALA HB3 . 18201 1 152 . 1 1 15 15 ALA C C 13 177.614 0.000 . 1 . . . . 15 ALA C . 18201 1 153 . 1 1 15 15 ALA CA C 13 53.497 0.011 . 1 . . . . 15 ALA CA . 18201 1 154 . 1 1 15 15 ALA CB C 13 18.302 0.206 . 1 . . . . 15 ALA CB . 18201 1 155 . 1 1 15 15 ALA N N 15 123.823 0.084 . 1 . . . . 15 ALA N . 18201 1 156 . 1 1 16 16 GLN H H 1 7.901 0.002 . 1 . . . . 16 GLN H . 18201 1 157 . 1 1 16 16 GLN HA H 1 4.036 0.000 . 1 . . . . 16 GLN HA . 18201 1 158 . 1 1 16 16 GLN HB2 H 1 2.029 0.022 . 2 . . . . 16 GLN HB2 . 18201 1 159 . 1 1 16 16 GLN HB3 H 1 2.038 0.024 . 2 . . . . 16 GLN HB3 . 18201 1 160 . 1 1 16 16 GLN HG2 H 1 2.335 0.025 . 2 . . . . 16 GLN HG2 . 18201 1 161 . 1 1 16 16 GLN HG3 H 1 2.198 0.007 . 2 . . . . 16 GLN HG3 . 18201 1 162 . 1 1 16 16 GLN HE21 H 1 7.315 0.001 . 1 . . . . 16 GLN HE21 . 18201 1 163 . 1 1 16 16 GLN HE22 H 1 6.550 0.011 . 1 . . . . 16 GLN HE22 . 18201 1 164 . 1 1 16 16 GLN CA C 13 54.687 0.000 . 1 . . . . 16 GLN CA . 18201 1 165 . 1 1 16 16 GLN CB C 13 28.799 0.329 . 1 . . . . 16 GLN CB . 18201 1 166 . 1 1 16 16 GLN N N 15 119.563 0.012 . 1 . . . . 16 GLN N . 18201 1 167 . 1 1 16 16 GLN NE2 N 15 110.276 0.048 . 1 . . . . 16 GLN NE2 . 18201 1 168 . 1 1 17 17 PRO HA H 1 4.494 0.000 . 1 . . . . 17 PRO HA . 18201 1 169 . 1 1 17 17 PRO C C 13 175.981 0.000 . 1 . . . . 17 PRO C . 18201 1 170 . 1 1 17 17 PRO CA C 13 64.108 0.000 . 1 . . . . 17 PRO CA . 18201 1 171 . 1 1 17 17 PRO CB C 13 31.785 0.000 . 1 . . . . 17 PRO CB . 18201 1 172 . 1 1 17 17 PRO CD C 13 50.920 0.000 . 1 . . . . 17 PRO CD . 18201 1 173 . 1 1 18 18 LEU H H 1 8.726 0.002 . 1 . . . . 18 LEU H . 18201 1 174 . 1 1 18 18 LEU HA H 1 3.875 0.009 . 1 . . . . 18 LEU HA . 18201 1 175 . 1 1 18 18 LEU HB2 H 1 1.549 0.025 . 2 . . . . 18 LEU HB2 . 18201 1 176 . 1 1 18 18 LEU HB3 H 1 0.857 0.023 . 2 . . . . 18 LEU HB3 . 18201 1 177 . 1 1 18 18 LEU HG H 1 1.444 0.007 . 1 . . . . 18 LEU HG . 18201 1 178 . 1 1 18 18 LEU HD11 H 1 0.738 0.013 . 2 . . . . 18 LEU HD11 . 18201 1 179 . 1 1 18 18 LEU HD12 H 1 0.738 0.013 . 2 . . . . 18 LEU HD12 . 18201 1 180 . 1 1 18 18 LEU HD13 H 1 0.738 0.013 . 2 . . . . 18 LEU HD13 . 18201 1 181 . 1 1 18 18 LEU HD21 H 1 0.736 0.016 . 2 . . . . 18 LEU HD21 . 18201 1 182 . 1 1 18 18 LEU HD22 H 1 0.736 0.016 . 2 . . . . 18 LEU HD22 . 18201 1 183 . 1 1 18 18 LEU HD23 H 1 0.736 0.016 . 2 . . . . 18 LEU HD23 . 18201 1 184 . 1 1 18 18 LEU C C 13 177.111 0.000 . 1 . . . . 18 LEU C . 18201 1 185 . 1 1 18 18 LEU CA C 13 57.441 0.035 . 1 . . . . 18 LEU CA . 18201 1 186 . 1 1 18 18 LEU CB C 13 41.980 0.064 . 1 . . . . 18 LEU CB . 18201 1 187 . 1 1 18 18 LEU CG C 13 27.197 0.000 . 1 . . . . 18 LEU CG . 18201 1 188 . 1 1 18 18 LEU CD1 C 13 25.661 0.000 . 2 . . . . 18 LEU CD1 . 18201 1 189 . 1 1 18 18 LEU CD2 C 13 24.301 0.000 . 2 . . . . 18 LEU CD2 . 18201 1 190 . 1 1 18 18 LEU N N 15 125.066 0.075 . 1 . . . . 18 LEU N . 18201 1 191 . 1 1 19 19 GLN H H 1 9.155 0.003 . 1 . . . . 19 GLN H . 18201 1 192 . 1 1 19 19 GLN HA H 1 3.564 0.006 . 1 . . . . 19 GLN HA . 18201 1 193 . 1 1 19 19 GLN HB2 H 1 1.885 0.03 . 2 . . . . 19 GLN HB2 . 18201 1 194 . 1 1 19 19 GLN HB3 H 1 1.881 0.027 . 2 . . . . 19 GLN HB3 . 18201 1 195 . 1 1 19 19 GLN HG2 H 1 1.858 0.007 . 2 . . . . 19 GLN HG2 . 18201 1 196 . 1 1 19 19 GLN HG3 H 1 2.116 0.003 . 2 . . . . 19 GLN HG3 . 18201 1 197 . 1 1 19 19 GLN C C 13 176.530 0.000 . 1 . . . . 19 GLN C . 18201 1 198 . 1 1 19 19 GLN CA C 13 60.207 0.05 . 1 . . . . 19 GLN CA . 18201 1 199 . 1 1 19 19 GLN CB C 13 27.619 0.099 . 1 . . . . 19 GLN CB . 18201 1 200 . 1 1 19 19 GLN CG C 13 32.566 0.133 . 1 . . . . 19 GLN CG . 18201 1 201 . 1 1 19 19 GLN N N 15 116.971 0.021 . 1 . . . . 19 GLN N . 18201 1 202 . 1 1 20 20 SER H H 1 6.829 0.004 . 1 . . . . 20 SER H . 18201 1 203 . 1 1 20 20 SER HA H 1 4.189 0.003 . 1 . . . . 20 SER HA . 18201 1 204 . 1 1 20 20 SER HB2 H 1 4.015 0.003 . 2 . . . . 20 SER HB2 . 18201 1 205 . 1 1 20 20 SER HB3 H 1 3.846 0.018 . 2 . . . . 20 SER HB3 . 18201 1 206 . 1 1 20 20 SER C C 13 177.379 0.000 . 1 . . . . 20 SER C . 18201 1 207 . 1 1 20 20 SER CA C 13 60.643 0.000 . 1 . . . . 20 SER CA . 18201 1 208 . 1 1 20 20 SER CB C 13 62.236 0.000 . 1 . . . . 20 SER CB . 18201 1 209 . 1 1 20 20 SER N N 15 110.309 0.036 . 1 . . . . 20 SER N . 18201 1 210 . 1 1 21 21 ALA H H 1 8.516 0.008 . 1 . . . . 21 ALA H . 18201 1 211 . 1 1 21 21 ALA HA H 1 3.742 0.008 . 1 . . . . 21 ALA HA . 18201 1 212 . 1 1 21 21 ALA HB1 H 1 1.333 0.015 . 1 . . . . 21 ALA HB1 . 18201 1 213 . 1 1 21 21 ALA HB2 H 1 1.333 0.015 . 1 . . . . 21 ALA HB2 . 18201 1 214 . 1 1 21 21 ALA HB3 H 1 1.333 0.015 . 1 . . . . 21 ALA HB3 . 18201 1 215 . 1 1 21 21 ALA C C 13 179.528 0.000 . 1 . . . . 21 ALA C . 18201 1 216 . 1 1 21 21 ALA CA C 13 55.141 0.047 . 1 . . . . 21 ALA CA . 18201 1 217 . 1 1 21 21 ALA CB C 13 19.083 0.085 . 1 . . . . 21 ALA CB . 18201 1 218 . 1 1 21 21 ALA N N 15 126.105 0.038 . 1 . . . . 21 ALA N . 18201 1 219 . 1 1 22 22 MET H H 1 8.428 0.008 . 1 . . . . 22 MET H . 18201 1 220 . 1 1 22 22 MET HA H 1 4.270 0.007 . 1 . . . . 22 MET HA . 18201 1 221 . 1 1 22 22 MET HG2 H 1 2.453 0.017 . 2 . . . . 22 MET HG2 . 18201 1 222 . 1 1 22 22 MET HG3 H 1 2.297 0.017 . 2 . . . . 22 MET HG3 . 18201 1 223 . 1 1 22 22 MET HE1 H 1 1.559 0.013 . 1 . . . . 22 MET HE1 . 18201 1 224 . 1 1 22 22 MET HE2 H 1 1.559 0.013 . 1 . . . . 22 MET HE2 . 18201 1 225 . 1 1 22 22 MET HE3 H 1 1.559 0.013 . 1 . . . . 22 MET HE3 . 18201 1 226 . 1 1 22 22 MET C C 13 178.334 0.000 . 1 . . . . 22 MET C . 18201 1 227 . 1 1 22 22 MET CA C 13 55.910 0.05 . 1 . . . . 22 MET CA . 18201 1 228 . 1 1 22 22 MET CB C 13 30.937 0.000 . 1 . . . . 22 MET CB . 18201 1 229 . 1 1 22 22 MET CG C 13 32.387 0.076 . 1 . . . . 22 MET CG . 18201 1 230 . 1 1 22 22 MET CE C 13 16.581 0.063 . 1 . . . . 22 MET CE . 18201 1 231 . 1 1 22 22 MET N N 15 115.067 0.043 . 1 . . . . 22 MET N . 18201 1 232 . 1 1 23 23 LEU H H 1 7.344 0.005 . 1 . . . . 23 LEU H . 18201 1 233 . 1 1 23 23 LEU HA H 1 4.181 0.007 . 1 . . . . 23 LEU HA . 18201 1 234 . 1 1 23 23 LEU HB2 H 1 2.017 0.014 . 2 . . . . 23 LEU HB2 . 18201 1 235 . 1 1 23 23 LEU HB3 H 1 1.562 0.012 . 2 . . . . 23 LEU HB3 . 18201 1 236 . 1 1 23 23 LEU HD11 H 1 0.930 0.035 . 2 . . . . 23 LEU HD11 . 18201 1 237 . 1 1 23 23 LEU HD12 H 1 0.930 0.035 . 2 . . . . 23 LEU HD12 . 18201 1 238 . 1 1 23 23 LEU HD13 H 1 0.930 0.035 . 2 . . . . 23 LEU HD13 . 18201 1 239 . 1 1 23 23 LEU HD21 H 1 0.956 0.013 . 2 . . . . 23 LEU HD21 . 18201 1 240 . 1 1 23 23 LEU HD22 H 1 0.956 0.013 . 2 . . . . 23 LEU HD22 . 18201 1 241 . 1 1 23 23 LEU HD23 H 1 0.956 0.013 . 2 . . . . 23 LEU HD23 . 18201 1 242 . 1 1 23 23 LEU C C 13 180.342 0.000 . 1 . . . . 23 LEU C . 18201 1 243 . 1 1 23 23 LEU CA C 13 57.706 0.107 . 1 . . . . 23 LEU CA . 18201 1 244 . 1 1 23 23 LEU CB C 13 41.108 0.192 . 1 . . . . 23 LEU CB . 18201 1 245 . 1 1 23 23 LEU CG C 13 26.732 0.000 . 1 . . . . 23 LEU CG . 18201 1 246 . 1 1 23 23 LEU CD1 C 13 25.464 0.000 . 2 . . . . 23 LEU CD1 . 18201 1 247 . 1 1 23 23 LEU CD2 C 13 22.357 0.000 . 2 . . . . 23 LEU CD2 . 18201 1 248 . 1 1 23 23 LEU N N 15 119.552 0.043 . 1 . . . . 23 LEU N . 18201 1 249 . 1 1 24 24 ARG H H 1 7.738 0.005 . 1 . . . . 24 ARG H . 18201 1 250 . 1 1 24 24 ARG HA H 1 4.287 0.009 . 1 . . . . 24 ARG HA . 18201 1 251 . 1 1 24 24 ARG HB2 H 1 2.096 0.032 . 2 . . . . 24 ARG HB2 . 18201 1 252 . 1 1 24 24 ARG HB3 H 1 1.932 0.018 . 2 . . . . 24 ARG HB3 . 18201 1 253 . 1 1 24 24 ARG HG2 H 1 2.103 0.012 . 2 . . . . 24 ARG HG2 . 18201 1 254 . 1 1 24 24 ARG HG3 H 1 1.738 0.033 . 2 . . . . 24 ARG HG3 . 18201 1 255 . 1 1 24 24 ARG HD2 H 1 3.428 0.001 . 2 . . . . 24 ARG HD2 . 18201 1 256 . 1 1 24 24 ARG HD3 H 1 3.207 0.000 . 2 . . . . 24 ARG HD3 . 18201 1 257 . 1 1 24 24 ARG C C 13 178.370 0.000 . 1 . . . . 24 ARG C . 18201 1 258 . 1 1 24 24 ARG CA C 13 57.728 0.000 . 1 . . . . 24 ARG CA . 18201 1 259 . 1 1 24 24 ARG CB C 13 30.957 0.239 . 1 . . . . 24 ARG CB . 18201 1 260 . 1 1 24 24 ARG CG C 13 25.978 0.000 . 1 . . . . 24 ARG CG . 18201 1 261 . 1 1 24 24 ARG CD C 13 43.098 0.119 . 1 . . . . 24 ARG CD . 18201 1 262 . 1 1 24 24 ARG N N 15 119.160 0.079 . 1 . . . . 24 ARG N . 18201 1 263 . 1 1 25 25 PHE H H 1 9.081 0.007 . 1 . . . . 25 PHE H . 18201 1 264 . 1 1 25 25 PHE HA H 1 3.679 0.01 . 1 . . . . 25 PHE HA . 18201 1 265 . 1 1 25 25 PHE HB2 H 1 3.104 0.011 . 2 . . . . 25 PHE HB2 . 18201 1 266 . 1 1 25 25 PHE HB3 H 1 2.791 0.006 . 2 . . . . 25 PHE HB3 . 18201 1 267 . 1 1 25 25 PHE HD1 H 1 6.516 0.03 . 3 . . . . 25 PHE HD1 . 18201 1 268 . 1 1 25 25 PHE HD2 H 1 6.260 0.002 . 3 . . . . 25 PHE HD2 . 18201 1 269 . 1 1 25 25 PHE HE1 H 1 6.247 0.000 . 3 . . . . 25 PHE HE1 . 18201 1 270 . 1 1 25 25 PHE HE2 H 1 5.997 0.002 . 3 . . . . 25 PHE HE2 . 18201 1 271 . 1 1 25 25 PHE C C 13 176.719 0.000 . 1 . . . . 25 PHE C . 18201 1 272 . 1 1 25 25 PHE CA C 13 62.319 0.03 . 1 . . . . 25 PHE CA . 18201 1 273 . 1 1 25 25 PHE CB C 13 39.111 0.092 . 1 . . . . 25 PHE CB . 18201 1 274 . 1 1 25 25 PHE CD2 C 13 130.288 0.000 . 3 . . . . 25 PHE CD2 . 18201 1 275 . 1 1 25 25 PHE CE2 C 13 129.384 0.000 . 3 . . . . 25 PHE CE2 . 18201 1 276 . 1 1 25 25 PHE N N 15 121.230 0.047 . 1 . . . . 25 PHE N . 18201 1 277 . 1 1 26 26 ALA H H 1 8.453 0.006 . 1 . . . . 26 ALA H . 18201 1 278 . 1 1 26 26 ALA HA H 1 3.708 0.017 . 1 . . . . 26 ALA HA . 18201 1 279 . 1 1 26 26 ALA HB1 H 1 1.523 0.011 . 1 . . . . 26 ALA HB1 . 18201 1 280 . 1 1 26 26 ALA HB2 H 1 1.523 0.011 . 1 . . . . 26 ALA HB2 . 18201 1 281 . 1 1 26 26 ALA HB3 H 1 1.523 0.011 . 1 . . . . 26 ALA HB3 . 18201 1 282 . 1 1 26 26 ALA C C 13 179.673 0.000 . 1 . . . . 26 ALA C . 18201 1 283 . 1 1 26 26 ALA CA C 13 55.706 0.089 . 1 . . . . 26 ALA CA . 18201 1 284 . 1 1 26 26 ALA CB C 13 17.741 0.086 . 1 . . . . 26 ALA CB . 18201 1 285 . 1 1 26 26 ALA N N 15 120.931 0.085 . 1 . . . . 26 ALA N . 18201 1 286 . 1 1 27 27 GLU H H 1 7.450 0.002 . 1 . . . . 27 GLU H . 18201 1 287 . 1 1 27 27 GLU HA H 1 4.063 0.002 . 1 . . . . 27 GLU HA . 18201 1 288 . 1 1 27 27 GLU HG2 H 1 2.518 0.006 . 2 . . . . 27 GLU HG2 . 18201 1 289 . 1 1 27 27 GLU HG3 H 1 2.337 0.023 . 2 . . . . 27 GLU HG3 . 18201 1 290 . 1 1 27 27 GLU C C 13 180.217 0.000 . 1 . . . . 27 GLU C . 18201 1 291 . 1 1 27 27 GLU CA C 13 58.768 0.015 . 1 . . . . 27 GLU CA . 18201 1 292 . 1 1 27 27 GLU CB C 13 29.559 0.000 . 1 . . . . 27 GLU CB . 18201 1 293 . 1 1 27 27 GLU CG C 13 35.534 0.047 . 1 . . . . 27 GLU CG . 18201 1 294 . 1 1 27 27 GLU N N 15 116.486 0.013 . 1 . . . . 27 GLU N . 18201 1 295 . 1 1 28 28 GLN H H 1 8.150 0.004 . 1 . . . . 28 GLN H . 18201 1 296 . 1 1 28 28 GLN HA H 1 3.972 0.003 . 1 . . . . 28 GLN HA . 18201 1 297 . 1 1 28 28 GLN HG2 H 1 2.869 0.0 . 2 . . . . 28 GLN HG2 . 18201 1 298 . 1 1 28 28 GLN HG3 H 1 2.869 0.0 . 2 . . . . 28 GLN HG3 . 18201 1 299 . 1 1 28 28 GLN C C 13 178.027 0.000 . 1 . . . . 28 GLN C . 18201 1 300 . 1 1 28 28 GLN CA C 13 58.804 0.000 . 1 . . . . 28 GLN CA . 18201 1 301 . 1 1 28 28 GLN CB C 13 28.425 0.000 . 1 . . . . 28 GLN CB . 18201 1 302 . 1 1 28 28 GLN CG C 13 34.645 0.000 . 1 . . . . 28 GLN CG . 18201 1 303 . 1 1 28 28 GLN N N 15 119.789 0.042 . 1 . . . . 28 GLN N . 18201 1 304 . 1 1 29 29 ALA H H 1 8.865 0.008 . 1 . . . . 29 ALA H . 18201 1 305 . 1 1 29 29 ALA HA H 1 3.916 0.014 . 1 . . . . 29 ALA HA . 18201 1 306 . 1 1 29 29 ALA HB1 H 1 1.065 0.012 . 1 . . . . 29 ALA HB1 . 18201 1 307 . 1 1 29 29 ALA HB2 H 1 1.065 0.012 . 1 . . . . 29 ALA HB2 . 18201 1 308 . 1 1 29 29 ALA HB3 H 1 1.065 0.012 . 1 . . . . 29 ALA HB3 . 18201 1 309 . 1 1 29 29 ALA C C 13 176.615 0.000 . 1 . . . . 29 ALA C . 18201 1 310 . 1 1 29 29 ALA CA C 13 51.903 0.038 . 1 . . . . 29 ALA CA . 18201 1 311 . 1 1 29 29 ALA CB C 13 18.935 0.079 . 1 . . . . 29 ALA CB . 18201 1 312 . 1 1 29 29 ALA N N 15 119.955 0.057 . 1 . . . . 29 ALA N . 18201 1 313 . 1 1 30 30 GLY H H 1 7.683 0.002 . 1 . . . . 30 GLY H . 18201 1 314 . 1 1 30 30 GLY HA2 H 1 3.893 0.001 . 2 . . . . 30 GLY HA2 . 18201 1 315 . 1 1 30 30 GLY HA3 H 1 3.893 0.001 . 2 . . . . 30 GLY HA3 . 18201 1 316 . 1 1 30 30 GLY C C 13 174.821 0.000 . 1 . . . . 30 GLY C . 18201 1 317 . 1 1 30 30 GLY CA C 13 46.283 0.000 . 1 . . . . 30 GLY CA . 18201 1 318 . 1 1 30 30 GLY N N 15 107.909 0.023 . 1 . . . . 30 GLY N . 18201 1 319 . 1 1 31 31 MET H H 1 8.151 0.004 . 1 . . . . 31 MET H . 18201 1 320 . 1 1 31 31 MET HA H 1 4.814 0.000 . 1 . . . . 31 MET HA . 18201 1 321 . 1 1 31 31 MET HB2 H 1 2.188 0.005 . 2 . . . . 31 MET HB2 . 18201 1 322 . 1 1 31 31 MET HB3 H 1 1.322 0.015 . 2 . . . . 31 MET HB3 . 18201 1 323 . 1 1 31 31 MET HG2 H 1 2.340 0.028 . 2 . . . . 31 MET HG2 . 18201 1 324 . 1 1 31 31 MET HG3 H 1 2.357 0.038 . 2 . . . . 31 MET HG3 . 18201 1 325 . 1 1 31 31 MET HE1 H 1 1.850 0.013 . 1 . . . . 31 MET HE1 . 18201 1 326 . 1 1 31 31 MET HE2 H 1 1.850 0.013 . 1 . . . . 31 MET HE2 . 18201 1 327 . 1 1 31 31 MET HE3 H 1 1.850 0.013 . 1 . . . . 31 MET HE3 . 18201 1 328 . 1 1 31 31 MET C C 13 173.565 0.000 . 1 . . . . 31 MET C . 18201 1 329 . 1 1 31 31 MET CA C 13 54.747 0.000 . 1 . . . . 31 MET CA . 18201 1 330 . 1 1 31 31 MET CB C 13 37.878 0.045 . 1 . . . . 31 MET CB . 18201 1 331 . 1 1 31 31 MET CG C 13 33.133 0.253 . 1 . . . . 31 MET CG . 18201 1 332 . 1 1 31 31 MET CE C 13 16.470 0.045 . 1 . . . . 31 MET CE . 18201 1 333 . 1 1 31 31 MET N N 15 117.882 0.034 . 1 . . . . 31 MET N . 18201 1 334 . 1 1 32 32 GLN H H 1 8.116 0.003 . 1 . . . . 32 GLN H . 18201 1 335 . 1 1 32 32 GLN HA H 1 4.558 0.0 . 1 . . . . 32 GLN HA . 18201 1 336 . 1 1 32 32 GLN HB2 H 1 2.197 0.01 . 2 . . . . 32 GLN HB2 . 18201 1 337 . 1 1 32 32 GLN HB3 H 1 2.201 0.01 . 2 . . . . 32 GLN HB3 . 18201 1 338 . 1 1 32 32 GLN HG2 H 1 2.311 0.000 . 2 . . . . 32 GLN HG2 . 18201 1 339 . 1 1 32 32 GLN HG3 H 1 2.184 0.007 . 2 . . . . 32 GLN HG3 . 18201 1 340 . 1 1 32 32 GLN C C 13 174.428 0.000 . 1 . . . . 32 GLN C . 18201 1 341 . 1 1 32 32 GLN CA C 13 54.824 0.000 . 1 . . . . 32 GLN CA . 18201 1 342 . 1 1 32 32 GLN CB C 13 31.701 0.000 . 1 . . . . 32 GLN CB . 18201 1 343 . 1 1 32 32 GLN CG C 13 33.550 0.000 . 1 . . . . 32 GLN CG . 18201 1 344 . 1 1 32 32 GLN N N 15 118.036 0.025 . 1 . . . . 32 GLN N . 18201 1 345 . 1 1 33 33 VAL H H 1 8.439 0.003 . 1 . . . . 33 VAL H . 18201 1 346 . 1 1 33 33 VAL HA H 1 5.027 0.003 . 1 . . . . 33 VAL HA . 18201 1 347 . 1 1 33 33 VAL HB H 1 1.605 0.015 . 1 . . . . 33 VAL HB . 18201 1 348 . 1 1 33 33 VAL HG11 H 1 0.674 0.009 . 2 . . . . 33 VAL HG11 . 18201 1 349 . 1 1 33 33 VAL HG12 H 1 0.674 0.009 . 2 . . . . 33 VAL HG12 . 18201 1 350 . 1 1 33 33 VAL HG13 H 1 0.674 0.009 . 2 . . . . 33 VAL HG13 . 18201 1 351 . 1 1 33 33 VAL HG21 H 1 0.516 0.021 . 2 . . . . 33 VAL HG21 . 18201 1 352 . 1 1 33 33 VAL HG22 H 1 0.516 0.021 . 2 . . . . 33 VAL HG22 . 18201 1 353 . 1 1 33 33 VAL HG23 H 1 0.516 0.021 . 2 . . . . 33 VAL HG23 . 18201 1 354 . 1 1 33 33 VAL C C 13 172.841 0.000 . 1 . . . . 33 VAL C . 18201 1 355 . 1 1 33 33 VAL CA C 13 59.574 0.000 . 1 . . . . 33 VAL CA . 18201 1 356 . 1 1 33 33 VAL CB C 13 34.216 0.000 . 1 . . . . 33 VAL CB . 18201 1 357 . 1 1 33 33 VAL CG1 C 13 22.093 0.000 . 2 . . . . 33 VAL CG1 . 18201 1 358 . 1 1 33 33 VAL CG2 C 13 20.487 0.000 . 2 . . . . 33 VAL CG2 . 18201 1 359 . 1 1 33 33 VAL N N 15 121.138 0.032 . 1 . . . . 33 VAL N . 18201 1 360 . 1 1 34 34 PHE H H 1 8.920 0.005 . 1 . . . . 34 PHE H . 18201 1 361 . 1 1 34 34 PHE HA H 1 4.602 0.016 . 1 . . . . 34 PHE HA . 18201 1 362 . 1 1 34 34 PHE HB2 H 1 2.863 0.009 . 2 . . . . 34 PHE HB2 . 18201 1 363 . 1 1 34 34 PHE HB3 H 1 3.118 0.012 . 2 . . . . 34 PHE HB3 . 18201 1 364 . 1 1 34 34 PHE HD2 H 1 7.119 0.000 . 3 . . . . 34 PHE HD2 . 18201 1 365 . 1 1 34 34 PHE C C 13 174.150 0.000 . 1 . . . . 34 PHE C . 18201 1 366 . 1 1 34 34 PHE CA C 13 56.258 0.000 . 1 . . . . 34 PHE CA . 18201 1 367 . 1 1 34 34 PHE CB C 13 41.439 0.161 . 1 . . . . 34 PHE CB . 18201 1 368 . 1 1 34 34 PHE CD2 C 13 131.430 0.000 . 3 . . . . 34 PHE CD2 . 18201 1 369 . 1 1 34 34 PHE N N 15 126.582 0.12 . 1 . . . . 34 PHE N . 18201 1 370 . 1 1 35 35 PHE H H 1 8.724 0.002 . 1 . . . . 35 PHE H . 18201 1 371 . 1 1 35 35 PHE HA H 1 4.668 0.000 . 1 . . . . 35 PHE HA . 18201 1 372 . 1 1 35 35 PHE HB2 H 1 3.183 0.009 . 2 . . . . 35 PHE HB2 . 18201 1 373 . 1 1 35 35 PHE HB3 H 1 2.959 0.003 . 2 . . . . 35 PHE HB3 . 18201 1 374 . 1 1 35 35 PHE HD2 H 1 7.126 0.03 . 3 . . . . 35 PHE HD2 . 18201 1 375 . 1 1 35 35 PHE C C 13 174.351 0.000 . 1 . . . . 35 PHE C . 18201 1 376 . 1 1 35 35 PHE CA C 13 56.438 0.000 . 1 . . . . 35 PHE CA . 18201 1 377 . 1 1 35 35 PHE CB C 13 38.468 0.014 . 1 . . . . 35 PHE CB . 18201 1 378 . 1 1 35 35 PHE N N 15 122.195 0.036 . 1 . . . . 35 PHE N . 18201 1 379 . 1 1 36 36 ASP H H 1 8.561 0.002 . 1 . . . . 36 ASP H . 18201 1 380 . 1 1 36 36 ASP HA H 1 4.491 0.004 . 1 . . . . 36 ASP HA . 18201 1 381 . 1 1 36 36 ASP HB2 H 1 2.885 0.002 . 2 . . . . 36 ASP HB2 . 18201 1 382 . 1 1 36 36 ASP HB3 H 1 2.330 0.013 . 2 . . . . 36 ASP HB3 . 18201 1 383 . 1 1 36 36 ASP C C 13 175.631 0.000 . 1 . . . . 36 ASP C . 18201 1 384 . 1 1 36 36 ASP CA C 13 54.730 0.000 . 1 . . . . 36 ASP CA . 18201 1 385 . 1 1 36 36 ASP CB C 13 40.336 0.012 . 1 . . . . 36 ASP CB . 18201 1 386 . 1 1 36 36 ASP N N 15 122.406 0.095 . 1 . . . . 36 ASP N . 18201 1 387 . 1 1 37 37 GLU H H 1 8.545 0.009 . 1 . . . . 37 GLU H . 18201 1 388 . 1 1 37 37 GLU HA H 1 4.006 0.002 . 1 . . . . 37 GLU HA . 18201 1 389 . 1 1 37 37 GLU HB2 H 1 2.039 0.000 . 1 . . . . 37 GLU HB2 . 18201 1 390 . 1 1 37 37 GLU HG2 H 1 2.315 0.0 . 2 . . . . 37 GLU HG2 . 18201 1 391 . 1 1 37 37 GLU HG3 H 1 2.206 0.007 . 2 . . . . 37 GLU HG3 . 18201 1 392 . 1 1 37 37 GLU C C 13 175.368 0.000 . 1 . . . . 37 GLU C . 18201 1 393 . 1 1 37 37 GLU CA C 13 56.838 0.000 . 1 . . . . 37 GLU CA . 18201 1 394 . 1 1 37 37 GLU CB C 13 28.749 0.000 . 1 . . . . 37 GLU CB . 18201 1 395 . 1 1 37 37 GLU CG C 13 36.462 0.000 . 1 . . . . 37 GLU CG . 18201 1 396 . 1 1 37 37 GLU N N 15 118.030 0.046 . 1 . . . . 37 GLU N . 18201 1 397 . 1 1 38 38 VAL H H 1 7.642 0.003 . 1 . . . . 38 VAL H . 18201 1 398 . 1 1 38 38 VAL HA H 1 4.358 0.002 . 1 . . . . 38 VAL HA . 18201 1 399 . 1 1 38 38 VAL HB H 1 1.851 0.017 . 1 . . . . 38 VAL HB . 18201 1 400 . 1 1 38 38 VAL HG11 H 1 0.823 0.01 . 2 . . . . 38 VAL HG11 . 18201 1 401 . 1 1 38 38 VAL HG12 H 1 0.823 0.01 . 2 . . . . 38 VAL HG12 . 18201 1 402 . 1 1 38 38 VAL HG13 H 1 0.823 0.01 . 2 . . . . 38 VAL HG13 . 18201 1 403 . 1 1 38 38 VAL HG21 H 1 0.716 0.007 . 2 . . . . 38 VAL HG21 . 18201 1 404 . 1 1 38 38 VAL HG22 H 1 0.716 0.007 . 2 . . . . 38 VAL HG22 . 18201 1 405 . 1 1 38 38 VAL HG23 H 1 0.716 0.007 . 2 . . . . 38 VAL HG23 . 18201 1 406 . 1 1 38 38 VAL C C 13 172.557 0.000 . 1 . . . . 38 VAL C . 18201 1 407 . 1 1 38 38 VAL CA C 13 59.961 0.008 . 1 . . . . 38 VAL CA . 18201 1 408 . 1 1 38 38 VAL CB C 13 34.098 0.243 . 1 . . . . 38 VAL CB . 18201 1 409 . 1 1 38 38 VAL CG1 C 13 21.031 0.149 . 2 . . . . 38 VAL CG1 . 18201 1 410 . 1 1 38 38 VAL CG2 C 13 19.501 0.073 . 2 . . . . 38 VAL CG2 . 18201 1 411 . 1 1 38 38 VAL N N 15 116.344 0.033 . 1 . . . . 38 VAL N . 18201 1 412 . 1 1 39 39 LYS H H 1 8.154 0.003 . 1 . . . . 39 LYS H . 18201 1 413 . 1 1 39 39 LYS HA H 1 4.464 0.003 . 1 . . . . 39 LYS HA . 18201 1 414 . 1 1 39 39 LYS HB2 H 1 1.716 0.013 . 2 . . . . 39 LYS HB2 . 18201 1 415 . 1 1 39 39 LYS HB3 H 1 1.825 0.007 . 2 . . . . 39 LYS HB3 . 18201 1 416 . 1 1 39 39 LYS HG2 H 1 1.474 0.025 . 2 . . . . 39 LYS HG2 . 18201 1 417 . 1 1 39 39 LYS HG3 H 1 1.331 0.004 . 2 . . . . 39 LYS HG3 . 18201 1 418 . 1 1 39 39 LYS HE2 H 1 2.952 0.001 . 1 . . . . 39 LYS HE2 . 18201 1 419 . 1 1 39 39 LYS HE3 H 1 2.952 0.001 . 1 . . . . 39 LYS HE3 . 18201 1 420 . 1 1 39 39 LYS C C 13 176.955 0.000 . 1 . . . . 39 LYS C . 18201 1 421 . 1 1 39 39 LYS CA C 13 55.445 0.000 . 1 . . . . 39 LYS CA . 18201 1 422 . 1 1 39 39 LYS CB C 13 33.084 0.077 . 1 . . . . 39 LYS CB . 18201 1 423 . 1 1 39 39 LYS CG C 13 24.642 0.064 . 1 . . . . 39 LYS CG . 18201 1 424 . 1 1 39 39 LYS CD C 13 29.082 0.000 . 1 . . . . 39 LYS CD . 18201 1 425 . 1 1 39 39 LYS CE C 13 41.858 0.000 . 1 . . . . 39 LYS CE . 18201 1 426 . 1 1 39 39 LYS N N 15 125.290 0.029 . 1 . . . . 39 LYS N . 18201 1 427 . 1 1 40 40 LEU H H 1 8.872 0.000 . 1 . . . . 40 LEU H . 18201 1 428 . 1 1 40 40 LEU HA H 1 4.671 0.000 . 1 . . . . 40 LEU HA . 18201 1 429 . 1 1 40 40 LEU HB2 H 1 1.620 0.019 . 2 . . . . 40 LEU HB2 . 18201 1 430 . 1 1 40 40 LEU HB3 H 1 1.600 0.016 . 2 . . . . 40 LEU HB3 . 18201 1 431 . 1 1 40 40 LEU HG H 1 1.612 0.000 . 1 . . . . 40 LEU HG . 18201 1 432 . 1 1 40 40 LEU HD11 H 1 0.654 0.000 . 2 . . . . 40 LEU HD11 . 18201 1 433 . 1 1 40 40 LEU HD12 H 1 0.654 0.000 . 2 . . . . 40 LEU HD12 . 18201 1 434 . 1 1 40 40 LEU HD13 H 1 0.654 0.000 . 2 . . . . 40 LEU HD13 . 18201 1 435 . 1 1 40 40 LEU HD21 H 1 0.660 0.009 . 2 . . . . 40 LEU HD21 . 18201 1 436 . 1 1 40 40 LEU HD22 H 1 0.660 0.009 . 2 . . . . 40 LEU HD22 . 18201 1 437 . 1 1 40 40 LEU HD23 H 1 0.660 0.009 . 2 . . . . 40 LEU HD23 . 18201 1 438 . 1 1 40 40 LEU CA C 13 54.016 0.000 . 1 . . . . 40 LEU CA . 18201 1 439 . 1 1 40 40 LEU CB C 13 41.108 0.000 . 1 . . . . 40 LEU CB . 18201 1 440 . 1 1 40 40 LEU CG C 13 27.055 0.000 . 1 . . . . 40 LEU CG . 18201 1 441 . 1 1 40 40 LEU CD1 C 13 25.887 0.000 . 2 . . . . 40 LEU CD1 . 18201 1 442 . 1 1 40 40 LEU CD2 C 13 24.255 0.000 . 2 . . . . 40 LEU CD2 . 18201 1 443 . 1 1 40 40 LEU N N 15 123.155 0.000 . 1 . . . . 40 LEU N . 18201 1 444 . 1 1 41 41 ASP H H 1 7.986 0.001 . 1 . . . . 41 ASP H . 18201 1 445 . 1 1 41 41 ASP HA H 1 4.192 0.007 . 1 . . . . 41 ASP HA . 18201 1 446 . 1 1 41 41 ASP HB2 H 1 2.555 0.011 . 2 . . . . 41 ASP HB2 . 18201 1 447 . 1 1 41 41 ASP HB3 H 1 2.458 0.0 . 2 . . . . 41 ASP HB3 . 18201 1 448 . 1 1 41 41 ASP C C 13 176.196 0.000 . 1 . . . . 41 ASP C . 18201 1 449 . 1 1 41 41 ASP CA C 13 54.740 0.000 . 1 . . . . 41 ASP CA . 18201 1 450 . 1 1 41 41 ASP CB C 13 40.787 0.000 . 1 . . . . 41 ASP CB . 18201 1 451 . 1 1 41 41 ASP N N 15 120.498 0.018 . 1 . . . . 41 ASP N . 18201 1 452 . 1 1 42 42 GLY H H 1 8.274 0.000 . 1 . . . . 42 GLY H . 18201 1 453 . 1 1 42 42 GLY HA2 H 1 4.182 0.000 . 2 . . . . 42 GLY HA2 . 18201 1 454 . 1 1 42 42 GLY HA3 H 1 3.680 0.005 . 2 . . . . 42 GLY HA3 . 18201 1 455 . 1 1 42 42 GLY C C 13 174.251 0.000 . 1 . . . . 42 GLY C . 18201 1 456 . 1 1 42 42 GLY CA C 13 45.485 0.000 . 1 . . . . 42 GLY CA . 18201 1 457 . 1 1 42 42 GLY N N 15 114.213 0.000 . 1 . . . . 42 GLY N . 18201 1 458 . 1 1 43 43 MET H H 1 7.757 0.005 . 1 . . . . 43 MET H . 18201 1 459 . 1 1 43 43 MET HA H 1 4.469 0.003 . 1 . . . . 43 MET HA . 18201 1 460 . 1 1 43 43 MET HB2 H 1 2.055 0.01 . 2 . . . . 43 MET HB2 . 18201 1 461 . 1 1 43 43 MET HB3 H 1 2.221 0.02 . 2 . . . . 43 MET HB3 . 18201 1 462 . 1 1 43 43 MET C C 13 176.109 0.000 . 1 . . . . 43 MET C . 18201 1 463 . 1 1 43 43 MET CA C 13 55.578 0.000 . 1 . . . . 43 MET CA . 18201 1 464 . 1 1 43 43 MET CB C 13 33.712 0.104 . 1 . . . . 43 MET CB . 18201 1 465 . 1 1 43 43 MET N N 15 118.804 0.105 . 1 . . . . 43 MET N . 18201 1 466 . 1 1 44 44 GLN H H 1 9.394 0.219 . 1 . . . . 44 GLN H . 18201 1 467 . 1 1 44 44 GLN HA H 1 4.492 0.016 . 1 . . . . 44 GLN HA . 18201 1 468 . 1 1 44 44 GLN HB2 H 1 2.054 0.027 . 2 . . . . 44 GLN HB2 . 18201 1 469 . 1 1 44 44 GLN HB3 H 1 1.816 0.013 . 2 . . . . 44 GLN HB3 . 18201 1 470 . 1 1 44 44 GLN HG2 H 1 2.326 0.000 . 2 . . . . 44 GLN HG2 . 18201 1 471 . 1 1 44 44 GLN HG3 H 1 2.245 0.004 . 2 . . . . 44 GLN HG3 . 18201 1 472 . 1 1 44 44 GLN HE21 H 1 7.139 0.000 . 1 . . . . 44 GLN HE21 . 18201 1 473 . 1 1 44 44 GLN HE22 H 1 6.561 0.000 . 1 . . . . 44 GLN HE22 . 18201 1 474 . 1 1 44 44 GLN C C 13 174.559 0.000 . 1 . . . . 44 GLN C . 18201 1 475 . 1 1 44 44 GLN CA C 13 55.578 0.000 . 1 . . . . 44 GLN CA . 18201 1 476 . 1 1 44 44 GLN CB C 13 30.904 0.000 . 1 . . . . 44 GLN CB . 18201 1 477 . 1 1 44 44 GLN CG C 13 33.630 0.000 . 1 . . . . 44 GLN CG . 18201 1 478 . 1 1 44 44 GLN N N 15 123.231 2.003 . 1 . . . . 44 GLN N . 18201 1 479 . 1 1 44 44 GLN NE2 N 15 110.500 0.000 . 1 . . . . 44 GLN NE2 . 18201 1 480 . 1 1 45 45 ALA H H 1 8.724 0.002 . 1 . . . . 45 ALA H . 18201 1 481 . 1 1 45 45 ALA HA H 1 4.669 0.003 . 1 . . . . 45 ALA HA . 18201 1 482 . 1 1 45 45 ALA HB1 H 1 1.255 0.012 . 1 . . . . 45 ALA HB1 . 18201 1 483 . 1 1 45 45 ALA HB2 H 1 1.255 0.012 . 1 . . . . 45 ALA HB2 . 18201 1 484 . 1 1 45 45 ALA HB3 H 1 1.255 0.012 . 1 . . . . 45 ALA HB3 . 18201 1 485 . 1 1 45 45 ALA C C 13 176.954 0.000 . 1 . . . . 45 ALA C . 18201 1 486 . 1 1 45 45 ALA CA C 13 50.484 0.000 . 1 . . . . 45 ALA CA . 18201 1 487 . 1 1 45 45 ALA CB C 13 21.739 0.044 . 1 . . . . 45 ALA CB . 18201 1 488 . 1 1 45 45 ALA N N 15 125.579 0.081 . 1 . . . . 45 ALA N . 18201 1 489 . 1 1 46 46 ALA H H 1 8.225 0.001 . 1 . . . . 46 ALA H . 18201 1 490 . 1 1 46 46 ALA HA H 1 4.297 0.023 . 1 . . . . 46 ALA HA . 18201 1 491 . 1 1 46 46 ALA HB1 H 1 1.367 0.002 . 1 . . . . 46 ALA HB1 . 18201 1 492 . 1 1 46 46 ALA HB2 H 1 1.367 0.002 . 1 . . . . 46 ALA HB2 . 18201 1 493 . 1 1 46 46 ALA HB3 H 1 1.367 0.002 . 1 . . . . 46 ALA HB3 . 18201 1 494 . 1 1 46 46 ALA C C 13 175.924 0.000 . 1 . . . . 46 ALA C . 18201 1 495 . 1 1 46 46 ALA CA C 13 50.687 0.000 . 1 . . . . 46 ALA CA . 18201 1 496 . 1 1 46 46 ALA CB C 13 19.407 0.000 . 1 . . . . 46 ALA CB . 18201 1 497 . 1 1 46 46 ALA N N 15 125.136 0.005 . 1 . . . . 46 ALA N . 18201 1 498 . 1 1 47 47 ALA H H 1 8.057 0.011 . 1 . . . . 47 ALA H . 18201 1 499 . 1 1 47 47 ALA HA H 1 4.071 0.007 . 1 . . . . 47 ALA HA . 18201 1 500 . 1 1 47 47 ALA HB1 H 1 1.345 0.016 . 1 . . . . 47 ALA HB1 . 18201 1 501 . 1 1 47 47 ALA HB2 H 1 1.345 0.016 . 1 . . . . 47 ALA HB2 . 18201 1 502 . 1 1 47 47 ALA HB3 H 1 1.345 0.016 . 1 . . . . 47 ALA HB3 . 18201 1 503 . 1 1 47 47 ALA C C 13 177.590 0.000 . 1 . . . . 47 ALA C . 18201 1 504 . 1 1 47 47 ALA CA C 13 52.303 0.000 . 1 . . . . 47 ALA CA . 18201 1 505 . 1 1 47 47 ALA CB C 13 19.087 0.044 . 1 . . . . 47 ALA CB . 18201 1 506 . 1 1 47 47 ALA N N 15 119.077 0.061 . 1 . . . . 47 ALA N . 18201 1 507 . 1 1 48 48 LEU H H 1 8.780 0.003 . 1 . . . . 48 LEU H . 18201 1 508 . 1 1 48 48 LEU HA H 1 4.561 0.002 . 1 . . . . 48 LEU HA . 18201 1 509 . 1 1 48 48 LEU HB2 H 1 1.227 0.013 . 2 . . . . 48 LEU HB2 . 18201 1 510 . 1 1 48 48 LEU HB3 H 1 1.597 0.01 . 2 . . . . 48 LEU HB3 . 18201 1 511 . 1 1 48 48 LEU HG H 1 1.234 0.012 . 1 . . . . 48 LEU HG . 18201 1 512 . 1 1 48 48 LEU HD11 H 1 0.608 0.023 . 2 . . . . 48 LEU HD11 . 18201 1 513 . 1 1 48 48 LEU HD12 H 1 0.608 0.023 . 2 . . . . 48 LEU HD12 . 18201 1 514 . 1 1 48 48 LEU HD13 H 1 0.608 0.023 . 2 . . . . 48 LEU HD13 . 18201 1 515 . 1 1 48 48 LEU HD21 H 1 0.830 0.011 . 2 . . . . 48 LEU HD21 . 18201 1 516 . 1 1 48 48 LEU HD22 H 1 0.830 0.011 . 2 . . . . 48 LEU HD22 . 18201 1 517 . 1 1 48 48 LEU HD23 H 1 0.830 0.011 . 2 . . . . 48 LEU HD23 . 18201 1 518 . 1 1 48 48 LEU C C 13 174.550 0.000 . 1 . . . . 48 LEU C . 18201 1 519 . 1 1 48 48 LEU CA C 13 53.629 0.000 . 1 . . . . 48 LEU CA . 18201 1 520 . 1 1 48 48 LEU CB C 13 45.628 0.026 . 1 . . . . 48 LEU CB . 18201 1 521 . 1 1 48 48 LEU CG C 13 27.511 0.164 . 1 . . . . 48 LEU CG . 18201 1 522 . 1 1 48 48 LEU CD1 C 13 25.926 0.000 . 2 . . . . 48 LEU CD1 . 18201 1 523 . 1 1 48 48 LEU CD2 C 13 24.561 0.000 . 2 . . . . 48 LEU CD2 . 18201 1 524 . 1 1 48 48 LEU N N 15 122.571 0.07 . 1 . . . . 48 LEU N . 18201 1 525 . 1 1 49 49 ASN H H 1 8.563 0.002 . 1 . . . . 49 ASN H . 18201 1 526 . 1 1 49 49 ASN HA H 1 5.421 0.003 . 1 . . . . 49 ASN HA . 18201 1 527 . 1 1 49 49 ASN HB2 H 1 2.655 0.012 . 2 . . . . 49 ASN HB2 . 18201 1 528 . 1 1 49 49 ASN HB3 H 1 2.611 0.047 . 2 . . . . 49 ASN HB3 . 18201 1 529 . 1 1 49 49 ASN HD21 H 1 7.600 0.000 . 1 . . . . 49 ASN HD21 . 18201 1 530 . 1 1 49 49 ASN HD22 H 1 6.723 0.000 . 1 . . . . 49 ASN HD22 . 18201 1 531 . 1 1 49 49 ASN C C 13 173.950 0.000 . 1 . . . . 49 ASN C . 18201 1 532 . 1 1 49 49 ASN CA C 13 52.324 0.000 . 1 . . . . 49 ASN CA . 18201 1 533 . 1 1 49 49 ASN CB C 13 41.559 0.000 . 1 . . . . 49 ASN CB . 18201 1 534 . 1 1 49 49 ASN N N 15 123.984 0.069 . 1 . . . . 49 ASN N . 18201 1 535 . 1 1 49 49 ASN ND2 N 15 111.800 0.000 . 1 . . . . 49 ASN ND2 . 18201 1 536 . 1 1 50 50 GLY H H 1 8.415 0.002 . 1 . . . . 50 GLY H . 18201 1 537 . 1 1 50 50 GLY HA2 H 1 4.412 0.019 . 2 . . . . 50 GLY HA2 . 18201 1 538 . 1 1 50 50 GLY HA3 H 1 3.868 0.001 . 2 . . . . 50 GLY HA3 . 18201 1 539 . 1 1 50 50 GLY C C 13 171.962 0.000 . 1 . . . . 50 GLY C . 18201 1 540 . 1 1 50 50 GLY CA C 13 44.417 0.000 . 1 . . . . 50 GLY CA . 18201 1 541 . 1 1 50 50 GLY N N 15 110.931 0.067 . 1 . . . . 50 GLY N . 18201 1 542 . 1 1 51 51 SER H H 1 8.366 0.001 . 1 . . . . 51 SER H . 18201 1 543 . 1 1 51 51 SER HA H 1 5.606 0.003 . 1 . . . . 51 SER HA . 18201 1 544 . 1 1 51 51 SER HB2 H 1 3.640 0.006 . 1 . . . . 51 SER HB2 . 18201 1 545 . 1 1 51 51 SER HB3 H 1 3.640 0.006 . 1 . . . . 51 SER HB3 . 18201 1 546 . 1 1 51 51 SER C C 13 174.960 0.000 . 1 . . . . 51 SER C . 18201 1 547 . 1 1 51 51 SER CA C 13 56.395 0.017 . 1 . . . . 51 SER CA . 18201 1 548 . 1 1 51 51 SER CB C 13 63.199 0.000 . 1 . . . . 51 SER CB . 18201 1 549 . 1 1 51 51 SER N N 15 114.832 0.024 . 1 . . . . 51 SER N . 18201 1 550 . 1 1 52 52 MET H H 1 9.041 0.001 . 1 . . . . 52 MET H . 18201 1 551 . 1 1 52 52 MET HA H 1 4.836 0.001 . 1 . . . . 52 MET HA . 18201 1 552 . 1 1 52 52 MET HB2 H 1 2.217 0.014 . 2 . . . . 52 MET HB2 . 18201 1 553 . 1 1 52 52 MET HB3 H 1 2.209 0.005 . 2 . . . . 52 MET HB3 . 18201 1 554 . 1 1 52 52 MET HG2 H 1 2.821 0.012 . 2 . . . . 52 MET HG2 . 18201 1 555 . 1 1 52 52 MET HG3 H 1 2.445 0.008 . 2 . . . . 52 MET HG3 . 18201 1 556 . 1 1 52 52 MET HE1 H 1 1.861 0.007 . 1 . . . . 52 MET HE1 . 18201 1 557 . 1 1 52 52 MET HE2 H 1 1.861 0.007 . 1 . . . . 52 MET HE2 . 18201 1 558 . 1 1 52 52 MET HE3 H 1 1.861 0.007 . 1 . . . . 52 MET HE3 . 18201 1 559 . 1 1 52 52 MET C C 13 173.910 0.000 . 1 . . . . 52 MET C . 18201 1 560 . 1 1 52 52 MET CA C 13 55.006 0.000 . 1 . . . . 52 MET CA . 18201 1 561 . 1 1 52 52 MET CB C 13 34.581 0.000 . 1 . . . . 52 MET CB . 18201 1 562 . 1 1 52 52 MET CG C 13 29.633 0.168 . 1 . . . . 52 MET CG . 18201 1 563 . 1 1 52 52 MET N N 15 122.074 0.066 . 1 . . . . 52 MET N . 18201 1 564 . 1 1 53 53 SER H H 1 8.823 0.004 . 1 . . . . 53 SER H . 18201 1 565 . 1 1 53 53 SER HA H 1 4.923 0.007 . 1 . . . . 53 SER HA . 18201 1 566 . 1 1 53 53 SER HB2 H 1 4.479 0.002 . 2 . . . . 53 SER HB2 . 18201 1 567 . 1 1 53 53 SER HB3 H 1 3.968 0.017 . 2 . . . . 53 SER HB3 . 18201 1 568 . 1 1 53 53 SER C C 13 175.358 0.000 . 1 . . . . 53 SER C . 18201 1 569 . 1 1 53 53 SER CA C 13 57.296 0.000 . 1 . . . . 53 SER CA . 18201 1 570 . 1 1 53 53 SER CB C 13 64.870 0.000 . 1 . . . . 53 SER CB . 18201 1 571 . 1 1 53 53 SER N N 15 115.585 0.017 . 1 . . . . 53 SER N . 18201 1 572 . 1 1 54 54 VAL H H 1 8.845 0.007 . 1 . . . . 54 VAL H . 18201 1 573 . 1 1 54 54 VAL HA H 1 3.792 0.003 . 1 . . . . 54 VAL HA . 18201 1 574 . 1 1 54 54 VAL HB H 1 2.192 0.01 . 1 . . . . 54 VAL HB . 18201 1 575 . 1 1 54 54 VAL HG11 H 1 1.215 0.013 . 2 . . . . 54 VAL HG11 . 18201 1 576 . 1 1 54 54 VAL HG12 H 1 1.215 0.013 . 2 . . . . 54 VAL HG12 . 18201 1 577 . 1 1 54 54 VAL HG13 H 1 1.215 0.013 . 2 . . . . 54 VAL HG13 . 18201 1 578 . 1 1 54 54 VAL HG21 H 1 1.023 0.016 . 2 . . . . 54 VAL HG21 . 18201 1 579 . 1 1 54 54 VAL HG22 H 1 1.023 0.016 . 2 . . . . 54 VAL HG22 . 18201 1 580 . 1 1 54 54 VAL HG23 H 1 1.023 0.016 . 2 . . . . 54 VAL HG23 . 18201 1 581 . 1 1 54 54 VAL C C 13 177.555 0.000 . 1 . . . . 54 VAL C . 18201 1 582 . 1 1 54 54 VAL CA C 13 67.457 0.003 . 1 . . . . 54 VAL CA . 18201 1 583 . 1 1 54 54 VAL CB C 13 31.484 0.004 . 1 . . . . 54 VAL CB . 18201 1 584 . 1 1 54 54 VAL CG1 C 13 23.919 0.000 . 2 . . . . 54 VAL CG1 . 18201 1 585 . 1 1 54 54 VAL CG2 C 13 21.607 0.063 . 2 . . . . 54 VAL CG2 . 18201 1 586 . 1 1 54 54 VAL N N 15 121.299 0.051 . 1 . . . . 54 VAL N . 18201 1 587 . 1 1 55 55 GLU H H 1 8.942 0.008 . 1 . . . . 55 GLU H . 18201 1 588 . 1 1 55 55 GLU HA H 1 3.740 0.015 . 1 . . . . 55 GLU HA . 18201 1 589 . 1 1 55 55 GLU HB2 H 1 2.171 0.000 . 2 . . . . 55 GLU HB2 . 18201 1 590 . 1 1 55 55 GLU HB3 H 1 1.997 0.047 . 2 . . . . 55 GLU HB3 . 18201 1 591 . 1 1 55 55 GLU HG2 H 1 2.382 0.009 . 2 . . . . 55 GLU HG2 . 18201 1 592 . 1 1 55 55 GLU HG3 H 1 2.382 0.009 . 2 . . . . 55 GLU HG3 . 18201 1 593 . 1 1 55 55 GLU C C 13 173.665 0.000 . 1 . . . . 55 GLU C . 18201 1 594 . 1 1 55 55 GLU CA C 13 60.501 0.114 . 1 . . . . 55 GLU CA . 18201 1 595 . 1 1 55 55 GLU CB C 13 28.615 0.286 . 1 . . . . 55 GLU CB . 18201 1 596 . 1 1 55 55 GLU CG C 13 36.642 0.000 . 1 . . . . 55 GLU CG . 18201 1 597 . 1 1 55 55 GLU N N 15 117.969 0.035 . 1 . . . . 55 GLU N . 18201 1 598 . 1 1 56 56 GLN H H 1 7.798 0.005 . 1 . . . . 56 GLN H . 18201 1 599 . 1 1 56 56 GLN HA H 1 3.899 0.024 . 1 . . . . 56 GLN HA . 18201 1 600 . 1 1 56 56 GLN HB2 H 1 2.220 0.007 . 2 . . . . 56 GLN HB2 . 18201 1 601 . 1 1 56 56 GLN HB3 H 1 2.218 0.007 . 2 . . . . 56 GLN HB3 . 18201 1 602 . 1 1 56 56 GLN HG2 H 1 2.437 0.008 . 2 . . . . 56 GLN HG2 . 18201 1 603 . 1 1 56 56 GLN HG3 H 1 2.436 0.008 . 2 . . . . 56 GLN HG3 . 18201 1 604 . 1 1 56 56 GLN C C 13 179.168 0.000 . 1 . . . . 56 GLN C . 18201 1 605 . 1 1 56 56 GLN CA C 13 58.584 0.08 . 1 . . . . 56 GLN CA . 18201 1 606 . 1 1 56 56 GLN CB C 13 28.571 0.028 . 1 . . . . 56 GLN CB . 18201 1 607 . 1 1 56 56 GLN CG C 13 34.375 0.144 . 1 . . . . 56 GLN CG . 18201 1 608 . 1 1 56 56 GLN N N 15 117.730 0.046 . 1 . . . . 56 GLN N . 18201 1 609 . 1 1 57 57 GLY H H 1 8.689 0.003 . 1 . . . . 57 GLY H . 18201 1 610 . 1 1 57 57 GLY HA2 H 1 3.812 0.004 . 2 . . . . 57 GLY HA2 . 18201 1 611 . 1 1 57 57 GLY HA3 H 1 3.152 0.003 . 2 . . . . 57 GLY HA3 . 18201 1 612 . 1 1 57 57 GLY C C 13 173.915 0.000 . 1 . . . . 57 GLY C . 18201 1 613 . 1 1 57 57 GLY CA C 13 47.778 0.055 . 1 . . . . 57 GLY CA . 18201 1 614 . 1 1 57 57 GLY N N 15 107.520 0.028 . 1 . . . . 57 GLY N . 18201 1 615 . 1 1 58 58 LEU H H 1 8.085 0.006 . 1 . . . . 58 LEU H . 18201 1 616 . 1 1 58 58 LEU HA H 1 2.919 0.008 . 1 . . . . 58 LEU HA . 18201 1 617 . 1 1 58 58 LEU HB2 H 1 0.182 0.008 . 2 . . . . 58 LEU HB2 . 18201 1 618 . 1 1 58 58 LEU HB3 H 1 0.824 0.015 . 2 . . . . 58 LEU HB3 . 18201 1 619 . 1 1 58 58 LEU HG H 1 0.014 0.008 . 1 . . . . 58 LEU HG . 18201 1 620 . 1 1 58 58 LEU HD11 H 1 -0.090 0.000 . 2 . . . . 58 LEU HD11 . 18201 1 621 . 1 1 58 58 LEU HD12 H 1 -0.090 0.000 . 2 . . . . 58 LEU HD12 . 18201 1 622 . 1 1 58 58 LEU HD13 H 1 -0.090 0.000 . 2 . . . . 58 LEU HD13 . 18201 1 623 . 1 1 58 58 LEU HD21 H 1 -0.197 0.004 . 2 . . . . 58 LEU HD21 . 18201 1 624 . 1 1 58 58 LEU HD22 H 1 -0.197 0.004 . 2 . . . . 58 LEU HD22 . 18201 1 625 . 1 1 58 58 LEU HD23 H 1 -0.197 0.004 . 2 . . . . 58 LEU HD23 . 18201 1 626 . 1 1 58 58 LEU C C 13 178.084 0.000 . 1 . . . . 58 LEU C . 18201 1 627 . 1 1 58 58 LEU CA C 13 57.158 0.027 . 1 . . . . 58 LEU CA . 18201 1 628 . 1 1 58 58 LEU CB C 13 40.720 0.048 . 1 . . . . 58 LEU CB . 18201 1 629 . 1 1 58 58 LEU CG C 13 25.597 0.034 . 1 . . . . 58 LEU CG . 18201 1 630 . 1 1 58 58 LEU CD1 C 13 24.464 0.000 . 2 . . . . 58 LEU CD1 . 18201 1 631 . 1 1 58 58 LEU CD2 C 13 24.298 0.028 . 2 . . . . 58 LEU CD2 . 18201 1 632 . 1 1 58 58 LEU N N 15 122.431 0.096 . 1 . . . . 58 LEU N . 18201 1 633 . 1 1 59 59 ARG H H 1 7.649 0.003 . 1 . . . . 59 ARG H . 18201 1 634 . 1 1 59 59 ARG HA H 1 3.886 0.011 . 1 . . . . 59 ARG HA . 18201 1 635 . 1 1 59 59 ARG HB2 H 1 1.939 0.015 . 2 . . . . 59 ARG HB2 . 18201 1 636 . 1 1 59 59 ARG HB3 H 1 1.851 0.016 . 2 . . . . 59 ARG HB3 . 18201 1 637 . 1 1 59 59 ARG HG2 H 1 1.761 0.009 . 2 . . . . 59 ARG HG2 . 18201 1 638 . 1 1 59 59 ARG HG3 H 1 1.761 0.01 . 2 . . . . 59 ARG HG3 . 18201 1 639 . 1 1 59 59 ARG HD2 H 1 3.260 0.018 . 2 . . . . 59 ARG HD2 . 18201 1 640 . 1 1 59 59 ARG HD3 H 1 3.258 0.000 . 2 . . . . 59 ARG HD3 . 18201 1 641 . 1 1 59 59 ARG C C 13 180.430 0.000 . 1 . . . . 59 ARG C . 18201 1 642 . 1 1 59 59 ARG CA C 13 59.650 0.000 . 1 . . . . 59 ARG CA . 18201 1 643 . 1 1 59 59 ARG CB C 13 30.351 0.297 . 1 . . . . 59 ARG CB . 18201 1 644 . 1 1 59 59 ARG CG C 13 27.781 0.297 . 1 . . . . 59 ARG CG . 18201 1 645 . 1 1 59 59 ARG CD C 13 43.224 0.003 . 1 . . . . 59 ARG CD . 18201 1 646 . 1 1 59 59 ARG N N 15 116.393 0.034 . 1 . . . . 59 ARG N . 18201 1 647 . 1 1 60 60 ARG H H 1 7.842 0.007 . 1 . . . . 60 ARG H . 18201 1 648 . 1 1 60 60 ARG HA H 1 3.912 0.006 . 1 . . . . 60 ARG HA . 18201 1 649 . 1 1 60 60 ARG HB2 H 1 1.761 0.009 . 2 . . . . 60 ARG HB2 . 18201 1 650 . 1 1 60 60 ARG HB3 H 1 1.765 0.009 . 2 . . . . 60 ARG HB3 . 18201 1 651 . 1 1 60 60 ARG HG2 H 1 1.567 0.012 . 2 . . . . 60 ARG HG2 . 18201 1 652 . 1 1 60 60 ARG HG3 H 1 1.567 0.013 . 2 . . . . 60 ARG HG3 . 18201 1 653 . 1 1 60 60 ARG HD2 H 1 3.064 0.009 . 1 . . . . 60 ARG HD2 . 18201 1 654 . 1 1 60 60 ARG HD3 H 1 3.064 0.009 . 1 . . . . 60 ARG HD3 . 18201 1 655 . 1 1 60 60 ARG C C 13 177.999 0.000 . 1 . . . . 60 ARG C . 18201 1 656 . 1 1 60 60 ARG CA C 13 58.518 0.134 . 1 . . . . 60 ARG CA . 18201 1 657 . 1 1 60 60 ARG CB C 13 30.235 0.379 . 1 . . . . 60 ARG CB . 18201 1 658 . 1 1 60 60 ARG CG C 13 27.697 0.000 . 1 . . . . 60 ARG CG . 18201 1 659 . 1 1 60 60 ARG CD C 13 43.148 0.017 . 1 . . . . 60 ARG CD . 18201 1 660 . 1 1 60 60 ARG N N 15 119.387 0.015 . 1 . . . . 60 ARG N . 18201 1 661 . 1 1 61 61 LEU H H 1 8.247 0.007 . 1 . . . . 61 LEU H . 18201 1 662 . 1 1 61 61 LEU HA H 1 3.909 0.01 . 1 . . . . 61 LEU HA . 18201 1 663 . 1 1 61 61 LEU HB2 H 1 1.379 0.007 . 2 . . . . 61 LEU HB2 . 18201 1 664 . 1 1 61 61 LEU HB3 H 1 1.178 0.01 . 2 . . . . 61 LEU HB3 . 18201 1 665 . 1 1 61 61 LEU HG H 1 1.381 0.008 . 1 . . . . 61 LEU HG . 18201 1 666 . 1 1 61 61 LEU HD11 H 1 0.619 0.025 . 2 . . . . 61 LEU HD11 . 18201 1 667 . 1 1 61 61 LEU HD12 H 1 0.619 0.025 . 2 . . . . 61 LEU HD12 . 18201 1 668 . 1 1 61 61 LEU HD13 H 1 0.619 0.025 . 2 . . . . 61 LEU HD13 . 18201 1 669 . 1 1 61 61 LEU HD21 H 1 0.592 0.036 . 2 . . . . 61 LEU HD21 . 18201 1 670 . 1 1 61 61 LEU HD22 H 1 0.592 0.036 . 2 . . . . 61 LEU HD22 . 18201 1 671 . 1 1 61 61 LEU HD23 H 1 0.592 0.036 . 2 . . . . 61 LEU HD23 . 18201 1 672 . 1 1 61 61 LEU C C 13 178.880 0.000 . 1 . . . . 61 LEU C . 18201 1 673 . 1 1 61 61 LEU CA C 13 57.547 0.032 . 1 . . . . 61 LEU CA . 18201 1 674 . 1 1 61 61 LEU CB C 13 43.333 0.132 . 1 . . . . 61 LEU CB . 18201 1 675 . 1 1 61 61 LEU CG C 13 25.867 0.000 . 1 . . . . 61 LEU CG . 18201 1 676 . 1 1 61 61 LEU CD1 C 13 26.340 0.000 . 1 . . . . 61 LEU CD1 . 18201 1 677 . 1 1 61 61 LEU CD2 C 13 26.340 0.000 . 1 . . . . 61 LEU CD2 . 18201 1 678 . 1 1 61 61 LEU N N 15 120.835 0.09 . 1 . . . . 61 LEU N . 18201 1 679 . 1 1 62 62 ILE H H 1 7.982 0.008 . 1 . . . . 62 ILE H . 18201 1 680 . 1 1 62 62 ILE HA H 1 3.308 0.008 . 1 . . . . 62 ILE HA . 18201 1 681 . 1 1 62 62 ILE HB H 1 1.757 0.013 . 1 . . . . 62 ILE HB . 18201 1 682 . 1 1 62 62 ILE HG12 H 1 1.559 0.01 . 2 . . . . 62 ILE HG12 . 18201 1 683 . 1 1 62 62 ILE HG13 H 1 0.551 0.018 . 2 . . . . 62 ILE HG13 . 18201 1 684 . 1 1 62 62 ILE HG21 H 1 0.969 0.024 . 1 . . . . 62 ILE HG21 . 18201 1 685 . 1 1 62 62 ILE HG22 H 1 0.969 0.024 . 1 . . . . 62 ILE HG22 . 18201 1 686 . 1 1 62 62 ILE HG23 H 1 0.969 0.024 . 1 . . . . 62 ILE HG23 . 18201 1 687 . 1 1 62 62 ILE HD11 H 1 0.650 0.017 . 1 . . . . 62 ILE HD11 . 18201 1 688 . 1 1 62 62 ILE HD12 H 1 0.650 0.017 . 1 . . . . 62 ILE HD12 . 18201 1 689 . 1 1 62 62 ILE HD13 H 1 0.650 0.017 . 1 . . . . 62 ILE HD13 . 18201 1 690 . 1 1 62 62 ILE C C 13 178.567 0.000 . 1 . . . . 62 ILE C . 18201 1 691 . 1 1 62 62 ILE CA C 13 64.955 0.03 . 1 . . . . 62 ILE CA . 18201 1 692 . 1 1 62 62 ILE CB C 13 39.000 0.000 . 1 . . . . 62 ILE CB . 18201 1 693 . 1 1 62 62 ILE CG1 C 13 31.521 0.047 . 1 . . . . 62 ILE CG1 . 18201 1 694 . 1 1 62 62 ILE CG2 C 13 18.612 0.057 . 1 . . . . 62 ILE CG2 . 18201 1 695 . 1 1 62 62 ILE CD1 C 13 13.905 0.032 . 1 . . . . 62 ILE CD1 . 18201 1 696 . 1 1 62 62 ILE N N 15 115.543 0.051 . 1 . . . . 62 ILE N . 18201 1 697 . 1 1 63 63 GLY H H 1 7.608 0.002 . 1 . . . . 63 GLY H . 18201 1 698 . 1 1 63 63 GLY HA2 H 1 3.819 0.000 . 1 . . . . 63 GLY HA2 . 18201 1 699 . 1 1 63 63 GLY HA3 H 1 3.819 0.000 . 1 . . . . 63 GLY HA3 . 18201 1 700 . 1 1 63 63 GLY C C 13 174.980 0.000 . 1 . . . . 63 GLY C . 18201 1 701 . 1 1 63 63 GLY CA C 13 47.273 0.000 . 1 . . . . 63 GLY CA . 18201 1 702 . 1 1 63 63 GLY N N 15 107.027 0.021 . 1 . . . . 63 GLY N . 18201 1 703 . 1 1 64 64 GLY H H 1 9.169 0.000 . 1 . . . . 64 GLY H . 18201 1 704 . 1 1 64 64 GLY HA2 H 1 3.920 0.000 . 1 . . . . 64 GLY HA2 . 18201 1 705 . 1 1 64 64 GLY HA3 H 1 3.920 0.000 . 1 . . . . 64 GLY HA3 . 18201 1 706 . 1 1 64 64 GLY CA C 13 45.240 0.000 . 1 . . . . 64 GLY CA . 18201 1 707 . 1 1 64 64 GLY N N 15 114.809 0.000 . 1 . . . . 64 GLY N . 18201 1 708 . 1 1 65 65 ASN H H 1 8.364 0.000 . 1 . . . . 65 ASN H . 18201 1 709 . 1 1 65 65 ASN HA H 1 4.564 0.000 . 1 . . . . 65 ASN HA . 18201 1 710 . 1 1 65 65 ASN HB2 H 1 2.655 0.000 . 1 . . . . 65 ASN HB2 . 18201 1 711 . 1 1 65 65 ASN HB3 H 1 2.655 0.000 . 1 . . . . 65 ASN HB3 . 18201 1 712 . 1 1 65 65 ASN CA C 13 54.332 0.000 . 1 . . . . 65 ASN CA . 18201 1 713 . 1 1 65 65 ASN CB C 13 40.936 0.000 . 1 . . . . 65 ASN CB . 18201 1 714 . 1 1 65 65 ASN N N 15 120.231 0.000 . 1 . . . . 65 ASN N . 18201 1 715 . 1 1 66 66 PRO HA H 1 4.735 0.000 . 1 . . . . 66 PRO HA . 18201 1 716 . 1 1 66 66 PRO HB2 H 1 2.461 0.000 . 2 . . . . 66 PRO HB2 . 18201 1 717 . 1 1 66 66 PRO HB3 H 1 1.857 0.000 . 2 . . . . 66 PRO HB3 . 18201 1 718 . 1 1 66 66 PRO HD2 H 1 3.775 0.000 . 2 . . . . 66 PRO HD2 . 18201 1 719 . 1 1 66 66 PRO HD3 H 1 3.716 0.000 . 2 . . . . 66 PRO HD3 . 18201 1 720 . 1 1 66 66 PRO C C 13 174.315 0.000 . 1 . . . . 66 PRO C . 18201 1 721 . 1 1 66 66 PRO CA C 13 63.216 0.000 . 1 . . . . 66 PRO CA . 18201 1 722 . 1 1 66 66 PRO CB C 13 27.528 0.000 . 1 . . . . 66 PRO CB . 18201 1 723 . 1 1 66 66 PRO CD C 13 50.397 0.000 . 1 . . . . 66 PRO CD . 18201 1 724 . 1 1 67 67 VAL H H 1 8.369 0.003 . 1 . . . . 67 VAL H . 18201 1 725 . 1 1 67 67 VAL HA H 1 4.512 0.004 . 1 . . . . 67 VAL HA . 18201 1 726 . 1 1 67 67 VAL HB H 1 1.745 0.005 . 1 . . . . 67 VAL HB . 18201 1 727 . 1 1 67 67 VAL HG11 H 1 0.915 0.014 . 2 . . . . 67 VAL HG11 . 18201 1 728 . 1 1 67 67 VAL HG12 H 1 0.915 0.014 . 2 . . . . 67 VAL HG12 . 18201 1 729 . 1 1 67 67 VAL HG13 H 1 0.915 0.014 . 2 . . . . 67 VAL HG13 . 18201 1 730 . 1 1 67 67 VAL HG21 H 1 0.608 0.008 . 2 . . . . 67 VAL HG21 . 18201 1 731 . 1 1 67 67 VAL HG22 H 1 0.608 0.008 . 2 . . . . 67 VAL HG22 . 18201 1 732 . 1 1 67 67 VAL HG23 H 1 0.608 0.008 . 2 . . . . 67 VAL HG23 . 18201 1 733 . 1 1 67 67 VAL C C 13 172.952 0.000 . 1 . . . . 67 VAL C . 18201 1 734 . 1 1 67 67 VAL CA C 13 60.822 0.000 . 1 . . . . 67 VAL CA . 18201 1 735 . 1 1 67 67 VAL CB C 13 35.500 0.000 . 1 . . . . 67 VAL CB . 18201 1 736 . 1 1 67 67 VAL CG1 C 13 22.469 0.000 . 2 . . . . 67 VAL CG1 . 18201 1 737 . 1 1 67 67 VAL CG2 C 13 21.780 0.000 . 2 . . . . 67 VAL CG2 . 18201 1 738 . 1 1 67 67 VAL N N 15 125.402 0.039 . 1 . . . . 67 VAL N . 18201 1 739 . 1 1 68 68 ALA H H 1 8.889 0.003 . 1 . . . . 68 ALA H . 18201 1 740 . 1 1 68 68 ALA HA H 1 4.615 0.016 . 1 . . . . 68 ALA HA . 18201 1 741 . 1 1 68 68 ALA HB1 H 1 1.167 0.008 . 1 . . . . 68 ALA HB1 . 18201 1 742 . 1 1 68 68 ALA HB2 H 1 1.167 0.008 . 1 . . . . 68 ALA HB2 . 18201 1 743 . 1 1 68 68 ALA HB3 H 1 1.167 0.008 . 1 . . . . 68 ALA HB3 . 18201 1 744 . 1 1 68 68 ALA C C 13 175.531 0.000 . 1 . . . . 68 ALA C . 18201 1 745 . 1 1 68 68 ALA CA C 13 49.822 0.000 . 1 . . . . 68 ALA CA . 18201 1 746 . 1 1 68 68 ALA CB C 13 21.554 0.031 . 1 . . . . 68 ALA CB . 18201 1 747 . 1 1 68 68 ALA N N 15 128.462 0.024 . 1 . . . . 68 ALA N . 18201 1 748 . 1 1 69 69 PHE H H 1 7.868 0.005 . 1 . . . . 69 PHE H . 18201 1 749 . 1 1 69 69 PHE HA H 1 5.824 0.009 . 1 . . . . 69 PHE HA . 18201 1 750 . 1 1 69 69 PHE HB2 H 1 2.545 0.007 . 2 . . . . 69 PHE HB2 . 18201 1 751 . 1 1 69 69 PHE HB3 H 1 2.545 0.008 . 2 . . . . 69 PHE HB3 . 18201 1 752 . 1 1 69 69 PHE HD1 H 1 6.840 0.002 . 3 . . . . 69 PHE HD1 . 18201 1 753 . 1 1 69 69 PHE HD2 H 1 6.588 0.003 . 3 . . . . 69 PHE HD2 . 18201 1 754 . 1 1 69 69 PHE HE1 H 1 7.210 0.029 . 3 . . . . 69 PHE HE1 . 18201 1 755 . 1 1 69 69 PHE HE2 H 1 7.002 0.000 . 3 . . . . 69 PHE HE2 . 18201 1 756 . 1 1 69 69 PHE C C 13 173.585 0.000 . 1 . . . . 69 PHE C . 18201 1 757 . 1 1 69 69 PHE CA C 13 54.804 0.005 . 1 . . . . 69 PHE CA . 18201 1 758 . 1 1 69 69 PHE CB C 13 43.532 0.064 . 1 . . . . 69 PHE CB . 18201 1 759 . 1 1 69 69 PHE CD2 C 13 132.462 0.077 . 3 . . . . 69 PHE CD2 . 18201 1 760 . 1 1 69 69 PHE CE2 C 13 130.169 0.000 . 3 . . . . 69 PHE CE2 . 18201 1 761 . 1 1 69 69 PHE N N 15 112.718 0.037 . 1 . . . . 69 PHE N . 18201 1 762 . 1 1 70 70 ARG H H 1 8.553 0.009 . 1 . . . . 70 ARG H . 18201 1 763 . 1 1 70 70 ARG HA H 1 4.508 0.021 . 1 . . . . 70 ARG HA . 18201 1 764 . 1 1 70 70 ARG HB2 H 1 1.681 0.002 . 2 . . . . 70 ARG HB2 . 18201 1 765 . 1 1 70 70 ARG HB3 H 1 1.700 0.025 . 2 . . . . 70 ARG HB3 . 18201 1 766 . 1 1 70 70 ARG HG2 H 1 1.426 0.007 . 2 . . . . 70 ARG HG2 . 18201 1 767 . 1 1 70 70 ARG HG3 H 1 1.521 0.000 . 2 . . . . 70 ARG HG3 . 18201 1 768 . 1 1 70 70 ARG HD2 H 1 3.078 0.016 . 2 . . . . 70 ARG HD2 . 18201 1 769 . 1 1 70 70 ARG HD3 H 1 3.081 0.013 . 2 . . . . 70 ARG HD3 . 18201 1 770 . 1 1 70 70 ARG C C 13 174.091 0.000 . 1 . . . . 70 ARG C . 18201 1 771 . 1 1 70 70 ARG CA C 13 54.865 0.000 . 1 . . . . 70 ARG CA . 18201 1 772 . 1 1 70 70 ARG CB C 13 33.247 0.035 . 1 . . . . 70 ARG CB . 18201 1 773 . 1 1 70 70 ARG CG C 13 27.051 0.000 . 1 . . . . 70 ARG CG . 18201 1 774 . 1 1 70 70 ARG CD C 13 43.137 0.000 . 1 . . . . 70 ARG CD . 18201 1 775 . 1 1 70 70 ARG N N 15 118.938 0.077 . 1 . . . . 70 ARG N . 18201 1 776 . 1 1 71 71 LEU H H 1 8.979 0.008 . 1 . . . . 71 LEU H . 18201 1 777 . 1 1 71 71 LEU HA H 1 5.022 0.0 . 1 . . . . 71 LEU HA . 18201 1 778 . 1 1 71 71 LEU HB2 H 1 1.724 0.017 . 2 . . . . 71 LEU HB2 . 18201 1 779 . 1 1 71 71 LEU HB3 H 1 1.539 0.011 . 2 . . . . 71 LEU HB3 . 18201 1 780 . 1 1 71 71 LEU HD11 H 1 0.941 0.002 . 2 . . . . 71 LEU HD11 . 18201 1 781 . 1 1 71 71 LEU HD12 H 1 0.941 0.002 . 2 . . . . 71 LEU HD12 . 18201 1 782 . 1 1 71 71 LEU HD13 H 1 0.941 0.002 . 2 . . . . 71 LEU HD13 . 18201 1 783 . 1 1 71 71 LEU HD21 H 1 0.823 0.007 . 2 . . . . 71 LEU HD21 . 18201 1 784 . 1 1 71 71 LEU HD22 H 1 0.823 0.007 . 2 . . . . 71 LEU HD22 . 18201 1 785 . 1 1 71 71 LEU HD23 H 1 0.823 0.007 . 2 . . . . 71 LEU HD23 . 18201 1 786 . 1 1 71 71 LEU C C 13 176.714 0.000 . 1 . . . . 71 LEU C . 18201 1 787 . 1 1 71 71 LEU CA C 13 53.996 0.000 . 1 . . . . 71 LEU CA . 18201 1 788 . 1 1 71 71 LEU CB C 13 41.598 0.000 . 1 . . . . 71 LEU CB . 18201 1 789 . 1 1 71 71 LEU CG C 13 28.035 0.000 . 1 . . . . 71 LEU CG . 18201 1 790 . 1 1 71 71 LEU CD1 C 13 25.680 0.000 . 2 . . . . 71 LEU CD1 . 18201 1 791 . 1 1 71 71 LEU CD2 C 13 25.350 0.000 . 2 . . . . 71 LEU CD2 . 18201 1 792 . 1 1 71 71 LEU N N 15 124.795 0.05 . 1 . . . . 71 LEU N . 18201 1 793 . 1 1 72 72 GLN H H 1 8.941 0.007 . 1 . . . . 72 GLN H . 18201 1 794 . 1 1 72 72 GLN HA H 1 4.922 0.0 . 1 . . . . 72 GLN HA . 18201 1 795 . 1 1 72 72 GLN HB3 H 1 1.933 0.013 . 1 . . . . 72 GLN HB3 . 18201 1 796 . 1 1 72 72 GLN HG2 H 1 2.317 0.001 . 2 . . . . 72 GLN HG2 . 18201 1 797 . 1 1 72 72 GLN HG3 H 1 2.178 0.000 . 2 . . . . 72 GLN HG3 . 18201 1 798 . 1 1 72 72 GLN CA C 13 53.357 0.000 . 1 . . . . 72 GLN CA . 18201 1 799 . 1 1 72 72 GLN CB C 13 29.515 0.000 . 1 . . . . 72 GLN CB . 18201 1 800 . 1 1 72 72 GLN N N 15 123.489 0.027 . 1 . . . . 72 GLN N . 18201 1 801 . 1 1 73 73 PRO HA H 1 4.373 0.004 . 1 . . . . 73 PRO HA . 18201 1 802 . 1 1 73 73 PRO HB2 H 1 2.407 0.007 . 1 . . . . 73 PRO HB2 . 18201 1 803 . 1 1 73 73 PRO HB3 H 1 2.407 0.007 . 1 . . . . 73 PRO HB3 . 18201 1 804 . 1 1 73 73 PRO HG2 H 1 2.032 0.003 . 2 . . . . 73 PRO HG2 . 18201 1 805 . 1 1 73 73 PRO HG3 H 1 1.926 0.000 . 2 . . . . 73 PRO HG3 . 18201 1 806 . 1 1 73 73 PRO HD2 H 1 3.868 0.000 . 2 . . . . 73 PRO HD2 . 18201 1 807 . 1 1 73 73 PRO HD3 H 1 3.711 0.000 . 2 . . . . 73 PRO HD3 . 18201 1 808 . 1 1 73 73 PRO C C 13 176.277 0.000 . 1 . . . . 73 PRO C . 18201 1 809 . 1 1 73 73 PRO CA C 13 64.198 0.000 . 1 . . . . 73 PRO CA . 18201 1 810 . 1 1 73 73 PRO CB C 13 31.981 0.000 . 1 . . . . 73 PRO CB . 18201 1 811 . 1 1 73 73 PRO CG C 13 28.614 0.000 . 1 . . . . 73 PRO CG . 18201 1 812 . 1 1 73 73 PRO CD C 13 50.544 0.000 . 1 . . . . 73 PRO CD . 18201 1 813 . 1 1 74 74 GLN H H 1 8.644 0.003 . 1 . . . . 74 GLN H . 18201 1 814 . 1 1 74 74 GLN HA H 1 4.143 0.002 . 1 . . . . 74 GLN HA . 18201 1 815 . 1 1 74 74 GLN HG2 H 1 2.320 0.003 . 2 . . . . 74 GLN HG2 . 18201 1 816 . 1 1 74 74 GLN HG3 H 1 2.216 0.001 . 2 . . . . 74 GLN HG3 . 18201 1 817 . 1 1 74 74 GLN C C 13 176.582 0.000 . 1 . . . . 74 GLN C . 18201 1 818 . 1 1 74 74 GLN CA C 13 56.343 0.000 . 1 . . . . 74 GLN CA . 18201 1 819 . 1 1 74 74 GLN CB C 13 26.681 0.000 . 1 . . . . 74 GLN CB . 18201 1 820 . 1 1 74 74 GLN CG C 13 33.579 0.000 . 1 . . . . 74 GLN CG . 18201 1 821 . 1 1 74 74 GLN N N 15 114.378 0.036 . 1 . . . . 74 GLN N . 18201 1 822 . 1 1 75 75 GLY H H 1 8.341 0.002 . 1 . . . . 75 GLY H . 18201 1 823 . 1 1 75 75 GLY HA2 H 1 4.252 0.003 . 2 . . . . 75 GLY HA2 . 18201 1 824 . 1 1 75 75 GLY HA3 H 1 3.817 0.003 . 2 . . . . 75 GLY HA3 . 18201 1 825 . 1 1 75 75 GLY C C 13 173.573 0.000 . 1 . . . . 75 GLY C . 18201 1 826 . 1 1 75 75 GLY CA C 13 46.649 0.000 . 1 . . . . 75 GLY CA . 18201 1 827 . 1 1 75 75 GLY N N 15 106.931 0.038 . 1 . . . . 75 GLY N . 18201 1 828 . 1 1 76 76 GLN H H 1 7.158 0.009 . 1 . . . . 76 GLN H . 18201 1 829 . 1 1 76 76 GLN HA H 1 5.009 0.002 . 1 . . . . 76 GLN HA . 18201 1 830 . 1 1 76 76 GLN HB2 H 1 1.828 0.01 . 2 . . . . 76 GLN HB2 . 18201 1 831 . 1 1 76 76 GLN HB3 H 1 1.824 0.015 . 2 . . . . 76 GLN HB3 . 18201 1 832 . 1 1 76 76 GLN HG2 H 1 2.194 0.017 . 2 . . . . 76 GLN HG2 . 18201 1 833 . 1 1 76 76 GLN HG3 H 1 2.200 0.025 . 2 . . . . 76 GLN HG3 . 18201 1 834 . 1 1 76 76 GLN C C 13 174.370 0.000 . 1 . . . . 76 GLN C . 18201 1 835 . 1 1 76 76 GLN CA C 13 53.708 0.000 . 1 . . . . 76 GLN CA . 18201 1 836 . 1 1 76 76 GLN CB C 13 30.914 0.000 . 1 . . . . 76 GLN CB . 18201 1 837 . 1 1 76 76 GLN CG C 13 33.648 0.102 . 1 . . . . 76 GLN CG . 18201 1 838 . 1 1 76 76 GLN N N 15 117.384 0.04 . 1 . . . . 76 GLN N . 18201 1 839 . 1 1 77 77 ILE H H 1 9.088 0.002 . 1 . . . . 77 ILE H . 18201 1 840 . 1 1 77 77 ILE HA H 1 4.543 0.001 . 1 . . . . 77 ILE HA . 18201 1 841 . 1 1 77 77 ILE HB H 1 1.700 0.014 . 1 . . . . 77 ILE HB . 18201 1 842 . 1 1 77 77 ILE HG21 H 1 0.693 0.006 . 1 . . . . 77 ILE HG21 . 18201 1 843 . 1 1 77 77 ILE HG22 H 1 0.693 0.006 . 1 . . . . 77 ILE HG22 . 18201 1 844 . 1 1 77 77 ILE HG23 H 1 0.693 0.006 . 1 . . . . 77 ILE HG23 . 18201 1 845 . 1 1 77 77 ILE HD11 H 1 0.821 0.013 . 1 . . . . 77 ILE HD11 . 18201 1 846 . 1 1 77 77 ILE HD12 H 1 0.821 0.013 . 1 . . . . 77 ILE HD12 . 18201 1 847 . 1 1 77 77 ILE HD13 H 1 0.821 0.013 . 1 . . . . 77 ILE HD13 . 18201 1 848 . 1 1 77 77 ILE C C 13 174.591 0.000 . 1 . . . . 77 ILE C . 18201 1 849 . 1 1 77 77 ILE CA C 13 54.893 0.000 . 1 . . . . 77 ILE CA . 18201 1 850 . 1 1 77 77 ILE CB C 13 40.210 0.000 . 1 . . . . 77 ILE CB . 18201 1 851 . 1 1 77 77 ILE CG1 C 13 27.702 0.000 . 1 . . . . 77 ILE CG1 . 18201 1 852 . 1 1 77 77 ILE CG2 C 13 18.188 0.000 . 1 . . . . 77 ILE CG2 . 18201 1 853 . 1 1 77 77 ILE CD1 C 13 14.644 0.079 . 1 . . . . 77 ILE CD1 . 18201 1 854 . 1 1 77 77 ILE N N 15 124.394 0.05 . 1 . . . . 77 ILE N . 18201 1 855 . 1 1 78 78 VAL H H 1 9.007 0.007 . 1 . . . . 78 VAL H . 18201 1 856 . 1 1 78 78 VAL HA H 1 4.818 0.008 . 1 . . . . 78 VAL HA . 18201 1 857 . 1 1 78 78 VAL HB H 1 1.905 0.007 . 1 . . . . 78 VAL HB . 18201 1 858 . 1 1 78 78 VAL HG11 H 1 0.882 0.036 . 2 . . . . 78 VAL HG11 . 18201 1 859 . 1 1 78 78 VAL HG12 H 1 0.882 0.036 . 2 . . . . 78 VAL HG12 . 18201 1 860 . 1 1 78 78 VAL HG13 H 1 0.882 0.036 . 2 . . . . 78 VAL HG13 . 18201 1 861 . 1 1 78 78 VAL HG21 H 1 0.827 0.015 . 2 . . . . 78 VAL HG21 . 18201 1 862 . 1 1 78 78 VAL HG22 H 1 0.827 0.015 . 2 . . . . 78 VAL HG22 . 18201 1 863 . 1 1 78 78 VAL HG23 H 1 0.827 0.015 . 2 . . . . 78 VAL HG23 . 18201 1 864 . 1 1 78 78 VAL C C 13 176.446 0.000 . 1 . . . . 78 VAL C . 18201 1 865 . 1 1 78 78 VAL CA C 13 61.704 0.000 . 1 . . . . 78 VAL CA . 18201 1 866 . 1 1 78 78 VAL CB C 13 33.636 0.000 . 1 . . . . 78 VAL CB . 18201 1 867 . 1 1 78 78 VAL CG1 C 13 21.509 0.000 . 2 . . . . 78 VAL CG1 . 18201 1 868 . 1 1 78 78 VAL CG2 C 13 20.858 0.06 . 2 . . . . 78 VAL CG2 . 18201 1 869 . 1 1 78 78 VAL N N 15 126.759 0.016 . 1 . . . . 78 VAL N . 18201 1 870 . 1 1 79 79 LEU H H 1 8.601 0.02 . 1 . . . . 79 LEU H . 18201 1 871 . 1 1 79 79 LEU HA H 1 5.477 0.004 . 1 . . . . 79 LEU HA . 18201 1 872 . 1 1 79 79 LEU HB2 H 1 1.747 0.015 . 2 . . . . 79 LEU HB2 . 18201 1 873 . 1 1 79 79 LEU HB3 H 1 1.361 0.01 . 2 . . . . 79 LEU HB3 . 18201 1 874 . 1 1 79 79 LEU HG H 1 1.581 0.012 . 1 . . . . 79 LEU HG . 18201 1 875 . 1 1 79 79 LEU HD11 H 1 0.725 0.011 . 2 . . . . 79 LEU HD11 . 18201 1 876 . 1 1 79 79 LEU HD12 H 1 0.725 0.011 . 2 . . . . 79 LEU HD12 . 18201 1 877 . 1 1 79 79 LEU HD13 H 1 0.725 0.011 . 2 . . . . 79 LEU HD13 . 18201 1 878 . 1 1 79 79 LEU HD21 H 1 0.718 0.02 . 2 . . . . 79 LEU HD21 . 18201 1 879 . 1 1 79 79 LEU HD22 H 1 0.718 0.02 . 2 . . . . 79 LEU HD22 . 18201 1 880 . 1 1 79 79 LEU HD23 H 1 0.718 0.02 . 2 . . . . 79 LEU HD23 . 18201 1 881 . 1 1 79 79 LEU C C 13 174.955 0.000 . 1 . . . . 79 LEU C . 18201 1 882 . 1 1 79 79 LEU CA C 13 52.905 0.028 . 1 . . . . 79 LEU CA . 18201 1 883 . 1 1 79 79 LEU CB C 13 43.365 0.031 . 1 . . . . 79 LEU CB . 18201 1 884 . 1 1 79 79 LEU CG C 13 27.055 0.000 . 1 . . . . 79 LEU CG . 18201 1 885 . 1 1 79 79 LEU CD1 C 13 25.581 0.000 . 2 . . . . 79 LEU CD1 . 18201 1 886 . 1 1 79 79 LEU CD2 C 13 22.917 0.000 . 2 . . . . 79 LEU CD2 . 18201 1 887 . 1 1 79 79 LEU N N 15 128.609 0.01 . 1 . . . . 79 LEU N . 18201 1 888 . 1 1 80 80 SER H H 1 8.728 0.004 . 1 . . . . 80 SER H . 18201 1 889 . 1 1 80 80 SER HA H 1 4.689 0.014 . 1 . . . . 80 SER HA . 18201 1 890 . 1 1 80 80 SER HB2 H 1 3.802 0.032 . 2 . . . . 80 SER HB2 . 18201 1 891 . 1 1 80 80 SER HB3 H 1 3.769 0.000 . 2 . . . . 80 SER HB3 . 18201 1 892 . 1 1 80 80 SER C C 13 173.122 0.000 . 1 . . . . 80 SER C . 18201 1 893 . 1 1 80 80 SER CA C 13 57.083 0.000 . 1 . . . . 80 SER CA . 18201 1 894 . 1 1 80 80 SER CB C 13 65.921 0.000 . 1 . . . . 80 SER CB . 18201 1 895 . 1 1 80 80 SER N N 15 114.127 0.024 . 1 . . . . 80 SER N . 18201 1 896 . 1 1 81 81 ARG H H 1 8.849 0.008 . 1 . . . . 81 ARG H . 18201 1 897 . 1 1 81 81 ARG HA H 1 4.367 0.01 . 1 . . . . 81 ARG HA . 18201 1 898 . 1 1 81 81 ARG HB2 H 1 1.863 0.013 . 2 . . . . 81 ARG HB2 . 18201 1 899 . 1 1 81 81 ARG HB3 H 1 1.759 0.007 . 2 . . . . 81 ARG HB3 . 18201 1 900 . 1 1 81 81 ARG HD2 H 1 3.271 0.005 . 1 . . . . 81 ARG HD2 . 18201 1 901 . 1 1 81 81 ARG HD3 H 1 3.271 0.005 . 1 . . . . 81 ARG HD3 . 18201 1 902 . 1 1 81 81 ARG C C 13 176.655 0.000 . 1 . . . . 81 ARG C . 18201 1 903 . 1 1 81 81 ARG CA C 13 56.161 0.086 . 1 . . . . 81 ARG CA . 18201 1 904 . 1 1 81 81 ARG CB C 13 30.780 0.055 . 1 . . . . 81 ARG CB . 18201 1 905 . 1 1 81 81 ARG CG C 13 27.494 0.000 . 1 . . . . 81 ARG CG . 18201 1 906 . 1 1 81 81 ARG CD C 13 43.150 0.000 . 1 . . . . 81 ARG CD . 18201 1 907 . 1 1 81 81 ARG N N 15 120.664 0.065 . 1 . . . . 81 ARG N . 18201 1 908 . 1 1 82 82 LEU H H 1 7.757 0.003 . 1 . . . . 82 LEU H . 18201 1 909 . 1 1 82 82 LEU HA H 1 4.379 0.009 . 1 . . . . 82 LEU HA . 18201 1 910 . 1 1 82 82 LEU HB2 H 1 1.447 0.008 . 2 . . . . 82 LEU HB2 . 18201 1 911 . 1 1 82 82 LEU HB3 H 1 1.168 0.003 . 2 . . . . 82 LEU HB3 . 18201 1 912 . 1 1 82 82 LEU HD11 H 1 0.820 0.005 . 2 . . . . 82 LEU HD11 . 18201 1 913 . 1 1 82 82 LEU HD12 H 1 0.820 0.005 . 2 . . . . 82 LEU HD12 . 18201 1 914 . 1 1 82 82 LEU HD13 H 1 0.820 0.005 . 2 . . . . 82 LEU HD13 . 18201 1 915 . 1 1 82 82 LEU HD21 H 1 0.826 0.000 . 2 . . . . 82 LEU HD21 . 18201 1 916 . 1 1 82 82 LEU HD22 H 1 0.826 0.000 . 2 . . . . 82 LEU HD22 . 18201 1 917 . 1 1 82 82 LEU HD23 H 1 0.826 0.000 . 2 . . . . 82 LEU HD23 . 18201 1 918 . 1 1 82 82 LEU CA C 13 52.638 0.000 . 1 . . . . 82 LEU CA . 18201 1 919 . 1 1 82 82 LEU CB C 13 42.317 0.106 . 1 . . . . 82 LEU CB . 18201 1 920 . 1 1 82 82 LEU N N 15 125.524 0.05 . 1 . . . . 82 LEU N . 18201 1 921 . 1 1 83 83 PRO HA H 1 4.431 0.000 . 1 . . . . 83 PRO HA . 18201 1 922 . 1 1 83 83 PRO HB2 H 1 2.229 0.007 . 2 . . . . 83 PRO HB2 . 18201 1 923 . 1 1 83 83 PRO HB3 H 1 1.863 0.015 . 2 . . . . 83 PRO HB3 . 18201 1 924 . 1 1 83 83 PRO HG2 H 1 1.943 0.008 . 1 . . . . 83 PRO HG2 . 18201 1 925 . 1 1 83 83 PRO HG3 H 1 1.943 0.008 . 1 . . . . 83 PRO HG3 . 18201 1 926 . 1 1 83 83 PRO HD2 H 1 3.580 0.006 . 2 . . . . 83 PRO HD2 . 18201 1 927 . 1 1 83 83 PRO HD3 H 1 3.812 0.007 . 2 . . . . 83 PRO HD3 . 18201 1 928 . 1 1 83 83 PRO C C 13 176.741 0.000 . 1 . . . . 83 PRO C . 18201 1 929 . 1 1 83 83 PRO CA C 13 63.147 0.000 . 1 . . . . 83 PRO CA . 18201 1 930 . 1 1 83 83 PRO CB C 13 31.704 0.222 . 1 . . . . 83 PRO CB . 18201 1 931 . 1 1 83 83 PRO CG C 13 27.424 0.000 . 1 . . . . 83 PRO CG . 18201 1 932 . 1 1 83 83 PRO CD C 13 50.594 0.098 . 1 . . . . 83 PRO CD . 18201 1 933 . 1 1 84 84 THR H H 1 8.097 0.006 . 1 . . . . 84 THR H . 18201 1 934 . 1 1 84 84 THR HA H 1 4.254 0.001 . 1 . . . . 84 THR HA . 18201 1 935 . 1 1 84 84 THR HB H 1 4.167 0.000 . 1 . . . . 84 THR HB . 18201 1 936 . 1 1 84 84 THR HG1 H 1 4.389 0.000 . 1 . . . . 84 THR HG1 . 18201 1 937 . 1 1 84 84 THR HG21 H 1 1.173 0.0 . 1 . . . . 84 THR HG21 . 18201 1 938 . 1 1 84 84 THR HG22 H 1 1.173 0.0 . 1 . . . . 84 THR HG22 . 18201 1 939 . 1 1 84 84 THR HG23 H 1 1.173 0.0 . 1 . . . . 84 THR HG23 . 18201 1 940 . 1 1 84 84 THR C C 13 174.332 0.000 . 1 . . . . 84 THR C . 18201 1 941 . 1 1 84 84 THR CA C 13 61.332 0.000 . 1 . . . . 84 THR CA . 18201 1 942 . 1 1 84 84 THR CB C 13 69.977 0.000 . 1 . . . . 84 THR CB . 18201 1 943 . 1 1 84 84 THR CG2 C 13 21.589 0.031 . 1 . . . . 84 THR CG2 . 18201 1 944 . 1 1 84 84 THR N N 15 114.079 0.036 . 1 . . . . 84 THR N . 18201 1 945 . 1 1 85 85 ALA H H 1 8.366 0.0 . 1 . . . . 85 ALA H . 18201 1 946 . 1 1 85 85 ALA HA H 1 4.291 0.000 . 1 . . . . 85 ALA HA . 18201 1 947 . 1 1 85 85 ALA HB1 H 1 1.343 0.000 . 1 . . . . 85 ALA HB1 . 18201 1 948 . 1 1 85 85 ALA HB2 H 1 1.343 0.000 . 1 . . . . 85 ALA HB2 . 18201 1 949 . 1 1 85 85 ALA HB3 H 1 1.343 0.000 . 1 . . . . 85 ALA HB3 . 18201 1 950 . 1 1 85 85 ALA C C 13 177.346 0.000 . 1 . . . . 85 ALA C . 18201 1 951 . 1 1 85 85 ALA CA C 13 52.493 0.000 . 1 . . . . 85 ALA CA . 18201 1 952 . 1 1 85 85 ALA CB C 13 19.048 0.000 . 1 . . . . 85 ALA CB . 18201 1 953 . 1 1 85 85 ALA N N 15 126.386 0.01 . 1 . . . . 85 ALA N . 18201 1 954 . 1 1 86 86 ASN H H 1 8.431 0.001 . 1 . . . . 86 ASN H . 18201 1 955 . 1 1 86 86 ASN HA H 1 4.670 0.000 . 1 . . . . 86 ASN HA . 18201 1 956 . 1 1 86 86 ASN HB2 H 1 2.790 0.000 . 2 . . . . 86 ASN HB2 . 18201 1 957 . 1 1 86 86 ASN HB3 H 1 2.697 0.000 . 2 . . . . 86 ASN HB3 . 18201 1 958 . 1 1 86 86 ASN C C 13 175.797 0.000 . 1 . . . . 86 ASN C . 18201 1 959 . 1 1 86 86 ASN CA C 13 53.270 0.000 . 1 . . . . 86 ASN CA . 18201 1 960 . 1 1 86 86 ASN CB C 13 39.026 0.000 . 1 . . . . 86 ASN CB . 18201 1 961 . 1 1 86 86 ASN N N 15 118.320 0.000 . 1 . . . . 86 ASN N . 18201 1 962 . 1 1 87 87 GLY H H 1 8.344 0.001 . 1 . . . . 87 GLY H . 18201 1 963 . 1 1 87 87 GLY HA2 H 1 3.907 0.000 . 1 . . . . 87 GLY HA2 . 18201 1 964 . 1 1 87 87 GLY HA3 H 1 3.907 0.000 . 1 . . . . 87 GLY HA3 . 18201 1 965 . 1 1 87 87 GLY C C 13 174.080 0.000 . 1 . . . . 87 GLY C . 18201 1 966 . 1 1 87 87 GLY CA C 13 45.459 0.000 . 1 . . . . 87 GLY CA . 18201 1 967 . 1 1 87 87 GLY N N 15 109.758 0.02 . 1 . . . . 87 GLY N . 18201 1 968 . 1 1 88 88 ASP H H 1 8.246 0.000 . 1 . . . . 88 ASP H . 18201 1 969 . 1 1 88 88 ASP HA H 1 4.595 0.003 . 1 . . . . 88 ASP HA . 18201 1 970 . 1 1 88 88 ASP HB2 H 1 2.650 0.000 . 2 . . . . 88 ASP HB2 . 18201 1 971 . 1 1 88 88 ASP HB3 H 1 2.655 0.000 . 2 . . . . 88 ASP HB3 . 18201 1 972 . 1 1 88 88 ASP C C 13 177.071 0.000 . 1 . . . . 88 ASP C . 18201 1 973 . 1 1 88 88 ASP CA C 13 54.367 0.000 . 1 . . . . 88 ASP CA . 18201 1 974 . 1 1 88 88 ASP CB C 13 40.787 0.000 . 1 . . . . 88 ASP CB . 18201 1 975 . 1 1 88 88 ASP N N 15 120.469 0.000 . 1 . . . . 88 ASP N . 18201 1 976 . 1 1 89 89 GLY H H 1 8.471 0.002 . 1 . . . . 89 GLY H . 18201 1 977 . 1 1 89 89 GLY HA2 H 1 3.907 0.009 . 2 . . . . 89 GLY HA2 . 18201 1 978 . 1 1 89 89 GLY HA3 H 1 3.898 0.000 . 2 . . . . 89 GLY HA3 . 18201 1 979 . 1 1 89 89 GLY C C 13 174.997 0.000 . 1 . . . . 89 GLY C . 18201 1 980 . 1 1 89 89 GLY CA C 13 45.560 0.000 . 1 . . . . 89 GLY CA . 18201 1 981 . 1 1 89 89 GLY N N 15 109.802 0.055 . 1 . . . . 89 GLY N . 18201 1 982 . 1 1 90 90 GLY H H 1 8.300 0.000 . 1 . . . . 90 GLY H . 18201 1 983 . 1 1 90 90 GLY HA2 H 1 3.750 0.000 . 1 . . . . 90 GLY HA2 . 18201 1 984 . 1 1 90 90 GLY HA3 H 1 3.750 0.000 . 1 . . . . 90 GLY HA3 . 18201 1 985 . 1 1 90 90 GLY C C 13 173.997 0.000 . 1 . . . . 90 GLY C . 18201 1 986 . 1 1 90 90 GLY CA C 13 45.231 0.000 . 1 . . . . 90 GLY CA . 18201 1 987 . 1 1 90 90 GLY N N 15 108.958 0.000 . 1 . . . . 90 GLY N . 18201 1 988 . 1 1 91 91 ALA H H 1 8.111 0.002 . 1 . . . . 91 ALA H . 18201 1 989 . 1 1 91 91 ALA HA H 1 4.240 0.000 . 1 . . . . 91 ALA HA . 18201 1 990 . 1 1 91 91 ALA HB1 H 1 1.328 0.000 . 1 . . . . 91 ALA HB1 . 18201 1 991 . 1 1 91 91 ALA HB2 H 1 1.328 0.000 . 1 . . . . 91 ALA HB2 . 18201 1 992 . 1 1 91 91 ALA HB3 H 1 1.328 0.000 . 1 . . . . 91 ALA HB3 . 18201 1 993 . 1 1 91 91 ALA C C 13 176.333 0.000 . 1 . . . . 91 ALA C . 18201 1 994 . 1 1 91 91 ALA CA C 13 52.590 0.000 . 1 . . . . 91 ALA CA . 18201 1 995 . 1 1 91 91 ALA CB C 13 19.021 0.000 . 1 . . . . 91 ALA CB . 18201 1 996 . 1 1 91 91 ALA N N 15 123.614 0.017 . 1 . . . . 91 ALA N . 18201 1 997 . 1 1 92 92 LEU H H 1 8.164 0.000 . 1 . . . . 92 LEU H . 18201 1 998 . 1 1 92 92 LEU HA H 1 4.257 0.01 . 1 . . . . 92 LEU HA . 18201 1 999 . 1 1 92 92 LEU HB2 H 1 1.563 0.000 . 2 . . . . 92 LEU HB2 . 18201 1 1000 . 1 1 92 92 LEU HB3 H 1 1.589 0.000 . 2 . . . . 92 LEU HB3 . 18201 1 1001 . 1 1 92 92 LEU HD11 H 1 0.837 0.000 . 1 . . . . 92 LEU HD11 . 18201 1 1002 . 1 1 92 92 LEU HD12 H 1 0.837 0.000 . 1 . . . . 92 LEU HD12 . 18201 1 1003 . 1 1 92 92 LEU HD13 H 1 0.837 0.000 . 1 . . . . 92 LEU HD13 . 18201 1 1004 . 1 1 92 92 LEU HD21 H 1 0.837 0.000 . 1 . . . . 92 LEU HD21 . 18201 1 1005 . 1 1 92 92 LEU HD22 H 1 0.837 0.000 . 1 . . . . 92 LEU HD22 . 18201 1 1006 . 1 1 92 92 LEU HD23 H 1 0.837 0.000 . 1 . . . . 92 LEU HD23 . 18201 1 1007 . 1 1 92 92 LEU C C 13 177.110 0.000 . 1 . . . . 92 LEU C . 18201 1 1008 . 1 1 92 92 LEU CA C 13 55.281 0.000 . 1 . . . . 92 LEU CA . 18201 1 1009 . 1 1 92 92 LEU CB C 13 42.014 0.085 . 1 . . . . 92 LEU CB . 18201 1 1010 . 1 1 92 92 LEU CG C 13 26.866 0.000 . 1 . . . . 92 LEU CG . 18201 1 1011 . 1 1 92 92 LEU CD1 C 13 24.852 0.000 . 2 . . . . 92 LEU CD1 . 18201 1 1012 . 1 1 92 92 LEU CD2 C 13 23.511 0.000 . 2 . . . . 92 LEU CD2 . 18201 1 1013 . 1 1 92 92 LEU N N 15 121.372 0.01 . 1 . . . . 92 LEU N . 18201 1 1014 . 1 1 93 93 ALA H H 1 8.191 0.0 . 1 . . . . 93 ALA H . 18201 1 1015 . 1 1 93 93 ALA HA H 1 4.259 0.005 . 1 . . . . 93 ALA HA . 18201 1 1016 . 1 1 93 93 ALA HB1 H 1 1.331 0.000 . 1 . . . . 93 ALA HB1 . 18201 1 1017 . 1 1 93 93 ALA HB2 H 1 1.331 0.000 . 1 . . . . 93 ALA HB2 . 18201 1 1018 . 1 1 93 93 ALA HB3 H 1 1.331 0.000 . 1 . . . . 93 ALA HB3 . 18201 1 1019 . 1 1 93 93 ALA C C 13 177.767 0.000 . 1 . . . . 93 ALA C . 18201 1 1020 . 1 1 93 93 ALA CA C 13 51.746 0.000 . 1 . . . . 93 ALA CA . 18201 1 1021 . 1 1 93 93 ALA CB C 13 19.021 0.000 . 1 . . . . 93 ALA CB . 18201 1 1022 . 1 1 93 93 ALA N N 15 124.978 0.000 . 1 . . . . 93 ALA N . 18201 1 1023 . 1 1 94 94 LEU H H 1 8.162 0.001 . 1 . . . . 94 LEU H . 18201 1 1024 . 1 1 94 94 LEU HA H 1 4.255 0.000 . 1 . . . . 94 LEU HA . 18201 1 1025 . 1 1 94 94 LEU HD11 H 1 0.837 0.000 . 1 . . . . 94 LEU HD11 . 18201 1 1026 . 1 1 94 94 LEU HD12 H 1 0.837 0.000 . 1 . . . . 94 LEU HD12 . 18201 1 1027 . 1 1 94 94 LEU HD13 H 1 0.837 0.000 . 1 . . . . 94 LEU HD13 . 18201 1 1028 . 1 1 94 94 LEU HD21 H 1 0.837 0.000 . 1 . . . . 94 LEU HD21 . 18201 1 1029 . 1 1 94 94 LEU HD22 H 1 0.837 0.000 . 1 . . . . 94 LEU HD22 . 18201 1 1030 . 1 1 94 94 LEU HD23 H 1 0.837 0.000 . 1 . . . . 94 LEU HD23 . 18201 1 1031 . 1 1 94 94 LEU C C 13 177.196 0.000 . 1 . . . . 94 LEU C . 18201 1 1032 . 1 1 94 94 LEU CA C 13 55.092 0.000 . 1 . . . . 94 LEU CA . 18201 1 1033 . 1 1 94 94 LEU CB C 13 42.351 0.000 . 1 . . . . 94 LEU CB . 18201 1 1034 . 1 1 94 94 LEU CG C 13 26.881 0.000 . 1 . . . . 94 LEU CG . 18201 1 1035 . 1 1 94 94 LEU CD1 C 13 24.916 0.000 . 2 . . . . 94 LEU CD1 . 18201 1 1036 . 1 1 94 94 LEU CD2 C 13 23.401 0.000 . 2 . . . . 94 LEU CD2 . 18201 1 1037 . 1 1 94 94 LEU N N 15 121.329 0.044 . 1 . . . . 94 LEU N . 18201 1 1038 . 1 1 95 95 ASP H H 1 8.277 0.012 . 1 . . . . 95 ASP H . 18201 1 1039 . 1 1 95 95 ASP HA H 1 4.547 0.025 . 1 . . . . 95 ASP HA . 18201 1 1040 . 1 1 95 95 ASP HB2 H 1 2.644 0.002 . 1 . . . . 95 ASP HB2 . 18201 1 1041 . 1 1 95 95 ASP HB3 H 1 2.644 0.002 . 1 . . . . 95 ASP HB3 . 18201 1 1042 . 1 1 95 95 ASP C C 13 176.502 0.000 . 1 . . . . 95 ASP C . 18201 1 1043 . 1 1 95 95 ASP CA C 13 54.464 0.000 . 1 . . . . 95 ASP CA . 18201 1 1044 . 1 1 95 95 ASP CB C 13 40.787 0.000 . 1 . . . . 95 ASP CB . 18201 1 1045 . 1 1 95 95 ASP N N 15 120.405 0.049 . 1 . . . . 95 ASP N . 18201 1 1046 . 1 1 96 96 SER H H 1 8.124 0.003 . 1 . . . . 96 SER H . 18201 1 1047 . 1 1 96 96 SER HA H 1 4.334 0.000 . 1 . . . . 96 SER HA . 18201 1 1048 . 1 1 96 96 SER HB2 H 1 3.855 0.000 . 1 . . . . 96 SER HB2 . 18201 1 1049 . 1 1 96 96 SER HB3 H 1 3.855 0.000 . 1 . . . . 96 SER HB3 . 18201 1 1050 . 1 1 96 96 SER C C 13 174.715 0.000 . 1 . . . . 96 SER C . 18201 1 1051 . 1 1 96 96 SER CA C 13 58.539 0.000 . 1 . . . . 96 SER CA . 18201 1 1052 . 1 1 96 96 SER CB C 13 63.576 0.000 . 1 . . . . 96 SER CB . 18201 1 1053 . 1 1 96 96 SER N N 15 115.671 0.039 . 1 . . . . 96 SER N . 18201 1 1054 . 1 1 97 97 LEU H H 1 8.181 0.001 . 1 . . . . 97 LEU H . 18201 1 1055 . 1 1 97 97 LEU HA H 1 4.328 0.0 . 1 . . . . 97 LEU HA . 18201 1 1056 . 1 1 97 97 LEU HB2 H 1 1.683 0.000 . 1 . . . . 97 LEU HB2 . 18201 1 1057 . 1 1 97 97 LEU HB3 H 1 1.683 0.000 . 1 . . . . 97 LEU HB3 . 18201 1 1058 . 1 1 97 97 LEU HD11 H 1 0.826 0.008 . 2 . . . . 97 LEU HD11 . 18201 1 1059 . 1 1 97 97 LEU HD12 H 1 0.826 0.008 . 2 . . . . 97 LEU HD12 . 18201 1 1060 . 1 1 97 97 LEU HD13 H 1 0.826 0.008 . 2 . . . . 97 LEU HD13 . 18201 1 1061 . 1 1 97 97 LEU HD21 H 1 0.829 0.000 . 2 . . . . 97 LEU HD21 . 18201 1 1062 . 1 1 97 97 LEU HD22 H 1 0.829 0.000 . 2 . . . . 97 LEU HD22 . 18201 1 1063 . 1 1 97 97 LEU HD23 H 1 0.829 0.000 . 2 . . . . 97 LEU HD23 . 18201 1 1064 . 1 1 97 97 LEU C C 13 178.377 0.000 . 1 . . . . 97 LEU C . 18201 1 1065 . 1 1 97 97 LEU CA C 13 56.161 0.000 . 1 . . . . 97 LEU CA . 18201 1 1066 . 1 1 97 97 LEU CB C 13 41.818 0.000 . 1 . . . . 97 LEU CB . 18201 1 1067 . 1 1 97 97 LEU CG C 13 26.778 0.000 . 1 . . . . 97 LEU CG . 18201 1 1068 . 1 1 97 97 LEU CD1 C 13 24.940 0.000 . 2 . . . . 97 LEU CD1 . 18201 1 1069 . 1 1 97 97 LEU CD2 C 13 23.345 0.000 . 2 . . . . 97 LEU CD2 . 18201 1 1070 . 1 1 97 97 LEU N N 15 123.123 0.019 . 1 . . . . 97 LEU N . 18201 1 1071 . 1 1 98 98 THR H H 1 8.044 0.001 . 1 . . . . 98 THR H . 18201 1 1072 . 1 1 98 98 THR HA H 1 4.225 0.001 . 1 . . . . 98 THR HA . 18201 1 1073 . 1 1 98 98 THR HB H 1 4.118 0.001 . 1 . . . . 98 THR HB . 18201 1 1074 . 1 1 98 98 THR HG21 H 1 1.138 0.001 . 1 . . . . 98 THR HG21 . 18201 1 1075 . 1 1 98 98 THR HG22 H 1 1.138 0.001 . 1 . . . . 98 THR HG22 . 18201 1 1076 . 1 1 98 98 THR HG23 H 1 1.138 0.001 . 1 . . . . 98 THR HG23 . 18201 1 1077 . 1 1 98 98 THR C C 13 174.583 0.000 . 1 . . . . 98 THR C . 18201 1 1078 . 1 1 98 98 THR CA C 13 62.508 0.000 . 1 . . . . 98 THR CA . 18201 1 1079 . 1 1 98 98 THR CB C 13 69.611 0.000 . 1 . . . . 98 THR CB . 18201 1 1080 . 1 1 98 98 THR N N 15 115.380 0.025 . 1 . . . . 98 THR N . 18201 1 1081 . 1 1 99 99 VAL H H 1 8.072 0.001 . 1 . . . . 99 VAL H . 18201 1 1082 . 1 1 99 99 VAL HA H 1 4.028 0.004 . 1 . . . . 99 VAL HA . 18201 1 1083 . 1 1 99 99 VAL HB H 1 2.011 0.018 . 1 . . . . 99 VAL HB . 18201 1 1084 . 1 1 99 99 VAL HG11 H 1 0.880 0.007 . 2 . . . . 99 VAL HG11 . 18201 1 1085 . 1 1 99 99 VAL HG12 H 1 0.880 0.007 . 2 . . . . 99 VAL HG12 . 18201 1 1086 . 1 1 99 99 VAL HG13 H 1 0.880 0.007 . 2 . . . . 99 VAL HG13 . 18201 1 1087 . 1 1 99 99 VAL HG21 H 1 0.881 0.007 . 2 . . . . 99 VAL HG21 . 18201 1 1088 . 1 1 99 99 VAL HG22 H 1 0.881 0.007 . 2 . . . . 99 VAL HG22 . 18201 1 1089 . 1 1 99 99 VAL HG23 H 1 0.881 0.007 . 2 . . . . 99 VAL HG23 . 18201 1 1090 . 1 1 99 99 VAL C C 13 176.180 0.000 . 1 . . . . 99 VAL C . 18201 1 1091 . 1 1 99 99 VAL CA C 13 62.339 0.015 . 1 . . . . 99 VAL CA . 18201 1 1092 . 1 1 99 99 VAL CB C 13 32.660 0.000 . 1 . . . . 99 VAL CB . 18201 1 1093 . 1 1 99 99 VAL CG1 C 13 20.903 0.000 . 2 . . . . 99 VAL CG1 . 18201 1 1094 . 1 1 99 99 VAL CG2 C 13 21.022 0.000 . 2 . . . . 99 VAL CG2 . 18201 1 1095 . 1 1 99 99 VAL N N 15 123.109 0.064 . 1 . . . . 99 VAL N . 18201 1 1096 . 1 1 100 100 LEU H H 1 8.300 0.001 . 1 . . . . 100 LEU H . 18201 1 1097 . 1 1 100 100 LEU HA H 1 4.283 0.021 . 1 . . . . 100 LEU HA . 18201 1 1098 . 1 1 100 100 LEU HB2 H 1 1.621 0.000 . 2 . . . . 100 LEU HB2 . 18201 1 1099 . 1 1 100 100 LEU HB3 H 1 1.570 0.035 . 2 . . . . 100 LEU HB3 . 18201 1 1100 . 1 1 100 100 LEU HG H 1 1.569 0.006 . 1 . . . . 100 LEU HG . 18201 1 1101 . 1 1 100 100 LEU HD11 H 1 0.846 0.023 . 2 . . . . 100 LEU HD11 . 18201 1 1102 . 1 1 100 100 LEU HD12 H 1 0.846 0.023 . 2 . . . . 100 LEU HD12 . 18201 1 1103 . 1 1 100 100 LEU HD13 H 1 0.846 0.023 . 2 . . . . 100 LEU HD13 . 18201 1 1104 . 1 1 100 100 LEU HD21 H 1 0.858 0.015 . 2 . . . . 100 LEU HD21 . 18201 1 1105 . 1 1 100 100 LEU HD22 H 1 0.858 0.015 . 2 . . . . 100 LEU HD22 . 18201 1 1106 . 1 1 100 100 LEU HD23 H 1 0.858 0.015 . 2 . . . . 100 LEU HD23 . 18201 1 1107 . 1 1 100 100 LEU C C 13 177.970 0.000 . 1 . . . . 100 LEU C . 18201 1 1108 . 1 1 100 100 LEU CA C 13 55.399 0.118 . 1 . . . . 100 LEU CA . 18201 1 1109 . 1 1 100 100 LEU CB C 13 41.930 0.000 . 1 . . . . 100 LEU CB . 18201 1 1110 . 1 1 100 100 LEU CG C 13 26.962 0.000 . 1 . . . . 100 LEU CG . 18201 1 1111 . 1 1 100 100 LEU CD1 C 13 24.861 0.000 . 2 . . . . 100 LEU CD1 . 18201 1 1112 . 1 1 100 100 LEU CD2 C 13 23.390 0.000 . 2 . . . . 100 LEU CD2 . 18201 1 1113 . 1 1 100 100 LEU N N 15 125.698 0.027 . 1 . . . . 100 LEU N . 18201 1 1114 . 1 1 101 101 GLY H H 1 8.349 0.000 . 1 . . . . 101 GLY H . 18201 1 1115 . 1 1 101 101 GLY HA2 H 1 3.919 0.000 . 1 . . . . 101 GLY HA2 . 18201 1 1116 . 1 1 101 101 GLY HA3 H 1 3.919 0.000 . 1 . . . . 101 GLY HA3 . 18201 1 1117 . 1 1 101 101 GLY C C 13 174.024 0.000 . 1 . . . . 101 GLY C . 18201 1 1118 . 1 1 101 101 GLY CA C 13 45.164 0.000 . 1 . . . . 101 GLY CA . 18201 1 1119 . 1 1 101 101 GLY N N 15 109.711 0.000 . 1 . . . . 101 GLY N . 18201 1 1120 . 1 1 102 102 ALA H H 1 8.183 0.0 . 1 . . . . 102 ALA H . 18201 1 1121 . 1 1 102 102 ALA HA H 1 4.255 0.000 . 1 . . . . 102 ALA HA . 18201 1 1122 . 1 1 102 102 ALA HB1 H 1 1.338 0.000 . 1 . . . . 102 ALA HB1 . 18201 1 1123 . 1 1 102 102 ALA HB2 H 1 1.338 0.000 . 1 . . . . 102 ALA HB2 . 18201 1 1124 . 1 1 102 102 ALA HB3 H 1 1.338 0.000 . 1 . . . . 102 ALA HB3 . 18201 1 1125 . 1 1 102 102 ALA C C 13 178.369 0.000 . 1 . . . . 102 ALA C . 18201 1 1126 . 1 1 102 102 ALA CA C 13 52.638 0.000 . 1 . . . . 102 ALA CA . 18201 1 1127 . 1 1 102 102 ALA CB C 13 19.079 0.000 . 1 . . . . 102 ALA CB . 18201 1 1128 . 1 1 102 102 ALA N N 15 123.711 0.0 . 1 . . . . 102 ALA N . 18201 1 1129 . 1 1 103 103 GLY H H 1 8.410 0.000 . 1 . . . . 103 GLY H . 18201 1 1130 . 1 1 103 103 GLY HA2 H 1 3.900 0.000 . 1 . . . . 103 GLY HA2 . 18201 1 1131 . 1 1 103 103 GLY HA3 H 1 3.900 0.000 . 1 . . . . 103 GLY HA3 . 18201 1 1132 . 1 1 103 103 GLY C C 13 174.739 0.000 . 1 . . . . 103 GLY C . 18201 1 1133 . 1 1 103 103 GLY CA C 13 45.164 0.000 . 1 . . . . 103 GLY CA . 18201 1 1134 . 1 1 103 103 GLY N N 15 108.189 0.000 . 1 . . . . 103 GLY N . 18201 1 1135 . 1 1 104 104 GLY H H 1 8.237 0.000 . 1 . . . . 104 GLY H . 18201 1 1136 . 1 1 104 104 GLY HA2 H 1 3.910 0.000 . 1 . . . . 104 GLY HA2 . 18201 1 1137 . 1 1 104 104 GLY HA3 H 1 3.910 0.000 . 1 . . . . 104 GLY HA3 . 18201 1 1138 . 1 1 104 104 GLY C C 13 173.923 0.000 . 1 . . . . 104 GLY C . 18201 1 1139 . 1 1 104 104 GLY CA C 13 45.274 0.000 . 1 . . . . 104 GLY CA . 18201 1 1140 . 1 1 104 104 GLY N N 15 108.568 0.000 . 1 . . . . 104 GLY N . 18201 1 1141 . 1 1 105 105 ASN H H 1 8.364 0.000 . 1 . . . . 105 ASN H . 18201 1 1142 . 1 1 105 105 ASN HA H 1 4.700 0.000 . 1 . . . . 105 ASN HA . 18201 1 1143 . 1 1 105 105 ASN HB2 H 1 2.797 0.000 . 2 . . . . 105 ASN HB2 . 18201 1 1144 . 1 1 105 105 ASN HB3 H 1 2.697 0.000 . 2 . . . . 105 ASN HB3 . 18201 1 1145 . 1 1 105 105 ASN C C 13 174.895 0.000 . 1 . . . . 105 ASN C . 18201 1 1146 . 1 1 105 105 ASN CA C 13 53.211 0.000 . 1 . . . . 105 ASN CA . 18201 1 1147 . 1 1 105 105 ASN CB C 13 38.908 0.000 . 1 . . . . 105 ASN CB . 18201 1 1148 . 1 1 105 105 ASN N N 15 118.537 0.000 . 1 . . . . 105 ASN N . 18201 1 1149 . 1 1 106 106 ASN H H 1 8.426 0.000 . 1 . . . . 106 ASN H . 18201 1 1150 . 1 1 106 106 ASN HA H 1 4.680 0.000 . 1 . . . . 106 ASN HA . 18201 1 1151 . 1 1 106 106 ASN HB2 H 1 2.804 0.006 . 2 . . . . 106 ASN HB2 . 18201 1 1152 . 1 1 106 106 ASN HB3 H 1 2.690 0.000 . 2 . . . . 106 ASN HB3 . 18201 1 1153 . 1 1 106 106 ASN HD21 H 1 7.929 0.002 . 1 . . . . 106 ASN HD21 . 18201 1 1154 . 1 1 106 106 ASN HD22 H 1 7.245 0.003 . 1 . . . . 106 ASN HD22 . 18201 1 1155 . 1 1 106 106 ASN C C 13 173.766 0.000 . 1 . . . . 106 ASN C . 18201 1 1156 . 1 1 106 106 ASN CA C 13 53.308 0.000 . 1 . . . . 106 ASN CA . 18201 1 1157 . 1 1 106 106 ASN CB C 13 38.889 0.000 . 1 . . . . 106 ASN CB . 18201 1 1158 . 1 1 106 106 ASN N N 15 119.459 0.000 . 1 . . . . 106 ASN N . 18201 1 1159 . 1 1 106 106 ASN ND2 N 15 116.075 0.144 . 1 . . . . 106 ASN ND2 . 18201 1 1160 . 1 1 107 107 ALA H H 1 7.854 0.000 . 1 . . . . 107 ALA H . 18201 1 1161 . 1 1 107 107 ALA HA H 1 4.071 0.000 . 1 . . . . 107 ALA HA . 18201 1 1162 . 1 1 107 107 ALA HB1 H 1 1.280 0.000 . 1 . . . . 107 ALA HB1 . 18201 1 1163 . 1 1 107 107 ALA HB2 H 1 1.280 0.000 . 1 . . . . 107 ALA HB2 . 18201 1 1164 . 1 1 107 107 ALA HB3 H 1 1.280 0.000 . 1 . . . . 107 ALA HB3 . 18201 1 1165 . 1 1 107 107 ALA CA C 13 53.900 0.000 . 1 . . . . 107 ALA CA . 18201 1 1166 . 1 1 107 107 ALA CB C 13 19.650 0.000 . 1 . . . . 107 ALA CB . 18201 1 1167 . 1 1 107 107 ALA N N 15 129.526 0.000 . 1 . . . . 107 ALA N . 18201 1 stop_ save_