data_11399 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11399 _Entry.Title ; solution structure of RNA binding domain in PTB-like protein L ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-09 _Entry.Accession_date 2010-09-09 _Entry.Last_release_date 2011-09-08 _Entry.Original_release_date 2011-09-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 K. Tsuda . . . 11399 2 Y. Muto . . . 11399 3 M. Inoue . . . 11399 4 T. Kigawa . . . 11399 5 T. Terada . . . 11399 6 M. Shirouzu . . . 11399 7 S. Yokoyama . . . 11399 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11399 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11399 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 413 11399 '15N chemical shifts' 87 11399 '1H chemical shifts' 663 11399 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-09-08 2010-09-09 original author . 11399 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11399 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'solution structure of RNA binding domain in PTB-like protein L' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 K. Tsuda . . . 11399 1 2 Y. Muto . . . 11399 1 3 M. Inoue . . . 11399 1 4 T. Kigawa . . . 11399 1 5 T. Terada . . . 11399 1 6 M. Shirouzu . . . 11399 1 7 S. Yokoyama . . . 11399 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11399 _Assembly.ID 1 _Assembly.Name 'PTB-like protein L' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'RNA recognition motif' 1 $entity_1 A . yes native no no . . . 11399 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2cq1 . . . . . . 11399 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11399 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNA recognition motif' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGDKMDGAPSRVLHI RKLPGEVTETEVIALGLPFG KVTNILMLKGKNQAFLELAT EEAAITMVNYYSAVTPHLRN QPIYIQYSNHKELKTSGPSS G ; _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 101 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CQ1 . "Solution Structure Of Rna Binding Domain In Ptb-Like Protein L" . . . . . 100.00 101 100.00 100.00 3.21e-66 . . . . 11399 1 2 no DBJ BAB71742 . "PTB-like protein L [Homo sapiens]" . . . . . 88.12 532 98.88 98.88 3.86e-53 . . . . 11399 1 3 no DBJ BAB71743 . "PTB-like protein S [Homo sapiens]" . . . . . 87.13 356 100.00 100.00 4.76e-55 . . . . 11399 1 4 no DBJ BAD92503 . "polypyrimidine tract binding protein 2 variant [Homo sapiens]" . . . . . 87.13 177 100.00 100.00 2.33e-57 . . . . 11399 1 5 no DBJ BAE20599 . "unnamed protein product [Mus musculus]" . . . . . 87.13 241 100.00 100.00 3.36e-56 . . . . 11399 1 6 no DBJ BAE20681 . "unnamed protein product [Mus musculus]" . . . . . 87.13 241 100.00 100.00 3.36e-56 . . . . 11399 1 7 no EMBL CAB54073 . "PTB-like protein [Rattus rattus]" . . . . . 88.12 532 98.88 98.88 4.15e-53 . . . . 11399 1 8 no GB AAF14284 . "neural polypyrimidine tract binding protein [Homo sapiens]" . . . . . 88.12 531 98.88 98.88 3.92e-53 . . . . 11399 1 9 no GB AAF21807 . "RRM-type RNA-binding protein brPTB [Mus musculus]" . . . . . 88.12 532 98.88 98.88 4.15e-53 . . . . 11399 1 10 no GB AAH10255 . "Polypyrimidine tract binding protein 2 [Mus musculus]" . . . . . 88.12 531 97.75 97.75 5.90e-52 . . . . 11399 1 11 no GB AAH16582 . "Polypyrimidine tract binding protein 2 [Homo sapiens]" . . . . . 88.12 532 98.88 98.88 3.86e-53 . . . . 11399 1 12 no GB AAH82076 . "Polypyrimidine tract binding protein 2 [Rattus norvegicus]" . . . . . 88.12 531 98.88 98.88 3.96e-53 . . . . 11399 1 13 no PIR JC7526 . "polypyrimidine tract-binding protein-like protein - rat" . . . . . 88.12 532 98.88 98.88 4.33e-53 . . . . 11399 1 14 no REF NP_001005555 . "polypyrimidine tract-binding protein 2 [Rattus norvegicus]" . . . . . 88.12 531 98.88 98.88 3.96e-53 . . . . 11399 1 15 no REF NP_001103551 . "polypyrimidine tract-binding protein 2 [Bos taurus]" . . . . . 88.12 255 98.88 98.88 9.14e-56 . . . . 11399 1 16 no REF NP_001287914 . "polypyrimidine tract-binding protein 2 isoform 1 [Homo sapiens]" . . . . . 88.12 537 98.88 98.88 4.57e-53 . . . . 11399 1 17 no REF NP_001287915 . "polypyrimidine tract-binding protein 2 isoform 2 [Homo sapiens]" . . . . . 88.12 540 98.88 98.88 4.77e-53 . . . . 11399 1 18 no REF NP_001287916 . "polypyrimidine tract-binding protein 2 isoform 3 [Homo sapiens]" . . . . . 88.12 548 98.88 98.88 5.41e-53 . . . . 11399 1 19 no SP Q66H20 . "RecName: Full=Polypyrimidine tract-binding protein 2; AltName: Full=Neural polypyrimidine tract-binding protein; AltName: Full=" . . . . . 88.12 531 98.88 98.88 3.96e-53 . . . . 11399 1 20 no SP Q91Z31 . "RecName: Full=Polypyrimidine tract-binding protein 2; AltName: Full=Brain-enriched polypyrimidine tract-binding protein; Short=" . . . . . 88.12 531 98.88 98.88 3.96e-53 . . . . 11399 1 21 no SP Q9UKA9 . "RecName: Full=Polypyrimidine tract-binding protein 2; AltName: Full=Neural polypyrimidine tract-binding protein; AltName: Full=" . . . . . 88.12 531 98.88 98.88 3.92e-53 . . . . 11399 1 22 no TPG DAA00060 . "TPA_exp: splicing regulator nPTB1 [Homo sapiens]" . . . . . 88.12 531 98.88 98.88 3.92e-53 . . . . 11399 1 23 no TPG DAA00061 . "TPA_exp: splicing regulator nPTB2 [Mus musculus]" . . . . . 88.12 532 98.88 98.88 4.15e-53 . . . . 11399 1 24 no TPG DAA31417 . "TPA: polypyrimidine tract binding protein 2-like [Bos taurus]" . . . . . 89.11 496 97.78 97.78 2.45e-53 . . . . 11399 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RNA recognition motif' . 11399 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11399 1 2 . SER . 11399 1 3 . SER . 11399 1 4 . GLY . 11399 1 5 . SER . 11399 1 6 . SER . 11399 1 7 . GLY . 11399 1 8 . ASP . 11399 1 9 . LYS . 11399 1 10 . MET . 11399 1 11 . ASP . 11399 1 12 . GLY . 11399 1 13 . ALA . 11399 1 14 . PRO . 11399 1 15 . SER . 11399 1 16 . ARG . 11399 1 17 . VAL . 11399 1 18 . LEU . 11399 1 19 . HIS . 11399 1 20 . ILE . 11399 1 21 . ARG . 11399 1 22 . LYS . 11399 1 23 . LEU . 11399 1 24 . PRO . 11399 1 25 . GLY . 11399 1 26 . GLU . 11399 1 27 . VAL . 11399 1 28 . THR . 11399 1 29 . GLU . 11399 1 30 . THR . 11399 1 31 . GLU . 11399 1 32 . VAL . 11399 1 33 . ILE . 11399 1 34 . ALA . 11399 1 35 . LEU . 11399 1 36 . GLY . 11399 1 37 . LEU . 11399 1 38 . PRO . 11399 1 39 . PHE . 11399 1 40 . GLY . 11399 1 41 . LYS . 11399 1 42 . VAL . 11399 1 43 . THR . 11399 1 44 . ASN . 11399 1 45 . ILE . 11399 1 46 . LEU . 11399 1 47 . MET . 11399 1 48 . LEU . 11399 1 49 . LYS . 11399 1 50 . GLY . 11399 1 51 . LYS . 11399 1 52 . ASN . 11399 1 53 . GLN . 11399 1 54 . ALA . 11399 1 55 . PHE . 11399 1 56 . LEU . 11399 1 57 . GLU . 11399 1 58 . LEU . 11399 1 59 . ALA . 11399 1 60 . THR . 11399 1 61 . GLU . 11399 1 62 . GLU . 11399 1 63 . ALA . 11399 1 64 . ALA . 11399 1 65 . ILE . 11399 1 66 . THR . 11399 1 67 . MET . 11399 1 68 . VAL . 11399 1 69 . ASN . 11399 1 70 . TYR . 11399 1 71 . TYR . 11399 1 72 . SER . 11399 1 73 . ALA . 11399 1 74 . VAL . 11399 1 75 . THR . 11399 1 76 . PRO . 11399 1 77 . HIS . 11399 1 78 . LEU . 11399 1 79 . ARG . 11399 1 80 . ASN . 11399 1 81 . GLN . 11399 1 82 . PRO . 11399 1 83 . ILE . 11399 1 84 . TYR . 11399 1 85 . ILE . 11399 1 86 . GLN . 11399 1 87 . TYR . 11399 1 88 . SER . 11399 1 89 . ASN . 11399 1 90 . HIS . 11399 1 91 . LYS . 11399 1 92 . GLU . 11399 1 93 . LEU . 11399 1 94 . LYS . 11399 1 95 . THR . 11399 1 96 . SER . 11399 1 97 . GLY . 11399 1 98 . PRO . 11399 1 99 . SER . 11399 1 100 . SER . 11399 1 101 . GLY . 11399 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11399 1 . SER 2 2 11399 1 . SER 3 3 11399 1 . GLY 4 4 11399 1 . SER 5 5 11399 1 . SER 6 6 11399 1 . GLY 7 7 11399 1 . ASP 8 8 11399 1 . LYS 9 9 11399 1 . MET 10 10 11399 1 . ASP 11 11 11399 1 . GLY 12 12 11399 1 . ALA 13 13 11399 1 . PRO 14 14 11399 1 . SER 15 15 11399 1 . ARG 16 16 11399 1 . VAL 17 17 11399 1 . LEU 18 18 11399 1 . HIS 19 19 11399 1 . ILE 20 20 11399 1 . ARG 21 21 11399 1 . LYS 22 22 11399 1 . LEU 23 23 11399 1 . PRO 24 24 11399 1 . GLY 25 25 11399 1 . GLU 26 26 11399 1 . VAL 27 27 11399 1 . THR 28 28 11399 1 . GLU 29 29 11399 1 . THR 30 30 11399 1 . GLU 31 31 11399 1 . VAL 32 32 11399 1 . ILE 33 33 11399 1 . ALA 34 34 11399 1 . LEU 35 35 11399 1 . GLY 36 36 11399 1 . LEU 37 37 11399 1 . PRO 38 38 11399 1 . PHE 39 39 11399 1 . GLY 40 40 11399 1 . LYS 41 41 11399 1 . VAL 42 42 11399 1 . THR 43 43 11399 1 . ASN 44 44 11399 1 . ILE 45 45 11399 1 . LEU 46 46 11399 1 . MET 47 47 11399 1 . LEU 48 48 11399 1 . LYS 49 49 11399 1 . GLY 50 50 11399 1 . LYS 51 51 11399 1 . ASN 52 52 11399 1 . GLN 53 53 11399 1 . ALA 54 54 11399 1 . PHE 55 55 11399 1 . LEU 56 56 11399 1 . GLU 57 57 11399 1 . LEU 58 58 11399 1 . ALA 59 59 11399 1 . THR 60 60 11399 1 . GLU 61 61 11399 1 . GLU 62 62 11399 1 . ALA 63 63 11399 1 . ALA 64 64 11399 1 . ILE 65 65 11399 1 . THR 66 66 11399 1 . MET 67 67 11399 1 . VAL 68 68 11399 1 . ASN 69 69 11399 1 . TYR 70 70 11399 1 . TYR 71 71 11399 1 . SER 72 72 11399 1 . ALA 73 73 11399 1 . VAL 74 74 11399 1 . THR 75 75 11399 1 . PRO 76 76 11399 1 . HIS 77 77 11399 1 . LEU 78 78 11399 1 . ARG 79 79 11399 1 . ASN 80 80 11399 1 . GLN 81 81 11399 1 . PRO 82 82 11399 1 . ILE 83 83 11399 1 . TYR 84 84 11399 1 . ILE 85 85 11399 1 . GLN 86 86 11399 1 . TYR 87 87 11399 1 . SER 88 88 11399 1 . ASN 89 89 11399 1 . HIS 90 90 11399 1 . LYS 91 91 11399 1 . GLU 92 92 11399 1 . LEU 93 93 11399 1 . LYS 94 94 11399 1 . THR 95 95 11399 1 . SER 96 96 11399 1 . GLY 97 97 11399 1 . PRO 98 98 11399 1 . SER 99 99 11399 1 . SER 100 100 11399 1 . GLY 101 101 11399 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 11399 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11399 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 11399 _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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040921-04 . . . . . . 11399 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11399 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.34mM 13C/15N-PROTEIN, 20mM d-Tris-HCl (pH 7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'RNA recognition motif' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.34 . . mM . . . . 11399 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11399 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11399 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11399 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11399 1 6 H2O . . . . . . solvent 90 . . % . . . . 11399 1 7 D2O . . . . . . solvent 10 . . % . . . . 11399 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11399 _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' 120 0.1 mM 11399 1 pH 7.0 0.05 pH 11399 1 pressure 1 0.001 atm 11399 1 temperature 298 0.1 K 11399 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11399 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11399 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11399 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11399 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11399 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11399 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11399 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11399 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11399 3 stop_ save_ save_kujira _Software.Sf_category software _Software.Sf_framecode kujira _Software.Entry_ID 11399 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9297 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11399 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11399 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11399 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11399 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11399 5 'structure solution' 11399 5 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 11399 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11399 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11399 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 11399 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11399 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11399 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11399 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11399 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11399 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11399 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11399 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11399 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11399 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11399 1 2 $NMRPipe . . 11399 1 3 $NMRview . . 11399 1 4 $kujira . . 11399 1 5 $CYANA . . 11399 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 8 8 ASP HA H 1 4.546 0.030 . 1 . . . . 8 ASP HA . 11399 1 2 . 1 1 8 8 ASP HB2 H 1 2.637 0.030 . 2 . . . . 8 ASP HB2 . 11399 1 3 . 1 1 8 8 ASP HB3 H 1 2.580 0.030 . 2 . . . . 8 ASP HB3 . 11399 1 4 . 1 1 8 8 ASP C C 13 176.204 0.300 . 1 . . . . 8 ASP C . 11399 1 5 . 1 1 8 8 ASP CA C 13 54.382 0.300 . 1 . . . . 8 ASP CA . 11399 1 6 . 1 1 8 8 ASP CB C 13 41.305 0.300 . 1 . . . . 8 ASP CB . 11399 1 7 . 1 1 9 9 LYS H H 1 8.232 0.030 . 1 . . . . 9 LYS H . 11399 1 8 . 1 1 9 9 LYS HA H 1 4.288 0.030 . 1 . . . . 9 LYS HA . 11399 1 9 . 1 1 9 9 LYS HB2 H 1 1.821 0.030 . 2 . . . . 9 LYS HB2 . 11399 1 10 . 1 1 9 9 LYS HB3 H 1 1.735 0.030 . 2 . . . . 9 LYS HB3 . 11399 1 11 . 1 1 9 9 LYS HD2 H 1 1.646 0.030 . 1 . . . . 9 LYS HD2 . 11399 1 12 . 1 1 9 9 LYS HD3 H 1 1.646 0.030 . 1 . . . . 9 LYS HD3 . 11399 1 13 . 1 1 9 9 LYS HE2 H 1 2.967 0.030 . 1 . . . . 9 LYS HE2 . 11399 1 14 . 1 1 9 9 LYS HE3 H 1 2.967 0.030 . 1 . . . . 9 LYS HE3 . 11399 1 15 . 1 1 9 9 LYS HG2 H 1 1.409 0.030 . 2 . . . . 9 LYS HG2 . 11399 1 16 . 1 1 9 9 LYS HG3 H 1 1.375 0.030 . 2 . . . . 9 LYS HG3 . 11399 1 17 . 1 1 9 9 LYS C C 13 176.524 0.300 . 1 . . . . 9 LYS C . 11399 1 18 . 1 1 9 9 LYS CA C 13 56.306 0.300 . 1 . . . . 9 LYS CA . 11399 1 19 . 1 1 9 9 LYS CB C 13 32.831 0.300 . 1 . . . . 9 LYS CB . 11399 1 20 . 1 1 9 9 LYS CD C 13 28.983 0.300 . 1 . . . . 9 LYS CD . 11399 1 21 . 1 1 9 9 LYS CE C 13 42.155 0.300 . 1 . . . . 9 LYS CE . 11399 1 22 . 1 1 9 9 LYS CG C 13 24.603 0.300 . 1 . . . . 9 LYS CG . 11399 1 23 . 1 1 9 9 LYS N N 15 121.191 0.300 . 1 . . . . 9 LYS N . 11399 1 24 . 1 1 10 10 MET H H 1 8.431 0.030 . 1 . . . . 10 MET H . 11399 1 25 . 1 1 10 10 MET HA H 1 4.490 0.030 . 1 . . . . 10 MET HA . 11399 1 26 . 1 1 10 10 MET HB2 H 1 2.090 0.030 . 2 . . . . 10 MET HB2 . 11399 1 27 . 1 1 10 10 MET HB3 H 1 1.984 0.030 . 2 . . . . 10 MET HB3 . 11399 1 28 . 1 1 10 10 MET HE1 H 1 2.047 0.030 . 1 . . . . 10 MET HE . 11399 1 29 . 1 1 10 10 MET HE2 H 1 2.047 0.030 . 1 . . . . 10 MET HE . 11399 1 30 . 1 1 10 10 MET HE3 H 1 2.047 0.030 . 1 . . . . 10 MET HE . 11399 1 31 . 1 1 10 10 MET HG2 H 1 2.570 0.030 . 2 . . . . 10 MET HG2 . 11399 1 32 . 1 1 10 10 MET HG3 H 1 2.481 0.030 . 2 . . . . 10 MET HG3 . 11399 1 33 . 1 1 10 10 MET C C 13 175.991 0.300 . 1 . . . . 10 MET C . 11399 1 34 . 1 1 10 10 MET CA C 13 55.323 0.300 . 1 . . . . 10 MET CA . 11399 1 35 . 1 1 10 10 MET CB C 13 32.714 0.300 . 1 . . . . 10 MET CB . 11399 1 36 . 1 1 10 10 MET CE C 13 16.994 0.300 . 1 . . . . 10 MET CE . 11399 1 37 . 1 1 10 10 MET CG C 13 32.069 0.300 . 1 . . . . 10 MET CG . 11399 1 38 . 1 1 10 10 MET N N 15 121.674 0.300 . 1 . . . . 10 MET N . 11399 1 39 . 1 1 11 11 ASP H H 1 8.345 0.030 . 1 . . . . 11 ASP H . 11399 1 40 . 1 1 11 11 ASP HA H 1 4.598 0.030 . 1 . . . . 11 ASP HA . 11399 1 41 . 1 1 11 11 ASP HB2 H 1 2.659 0.030 . 1 . . . . 11 ASP HB2 . 11399 1 42 . 1 1 11 11 ASP HB3 H 1 2.659 0.030 . 1 . . . . 11 ASP HB3 . 11399 1 43 . 1 1 11 11 ASP C C 13 176.619 0.300 . 1 . . . . 11 ASP C . 11399 1 44 . 1 1 11 11 ASP CA C 13 54.548 0.300 . 1 . . . . 11 ASP CA . 11399 1 45 . 1 1 11 11 ASP CB C 13 41.298 0.300 . 1 . . . . 11 ASP CB . 11399 1 46 . 1 1 11 11 ASP N N 15 121.917 0.300 . 1 . . . . 11 ASP N . 11399 1 47 . 1 1 12 12 GLY H H 1 8.345 0.030 . 1 . . . . 12 GLY H . 11399 1 48 . 1 1 12 12 GLY HA2 H 1 3.933 0.030 . 1 . . . . 12 GLY HA2 . 11399 1 49 . 1 1 12 12 GLY HA3 H 1 3.933 0.030 . 1 . . . . 12 GLY HA3 . 11399 1 50 . 1 1 12 12 GLY C C 13 173.111 0.300 . 1 . . . . 12 GLY C . 11399 1 51 . 1 1 12 12 GLY CA C 13 45.247 0.300 . 1 . . . . 12 GLY CA . 11399 1 52 . 1 1 12 12 GLY N N 15 109.489 0.300 . 1 . . . . 12 GLY N . 11399 1 53 . 1 1 13 13 ALA H H 1 7.891 0.030 . 1 . . . . 13 ALA H . 11399 1 54 . 1 1 13 13 ALA HA H 1 4.471 0.030 . 1 . . . . 13 ALA HA . 11399 1 55 . 1 1 13 13 ALA HB1 H 1 1.252 0.030 . 1 . . . . 13 ALA HB . 11399 1 56 . 1 1 13 13 ALA HB2 H 1 1.252 0.030 . 1 . . . . 13 ALA HB . 11399 1 57 . 1 1 13 13 ALA HB3 H 1 1.252 0.030 . 1 . . . . 13 ALA HB . 11399 1 58 . 1 1 13 13 ALA CA C 13 50.090 0.300 . 1 . . . . 13 ALA CA . 11399 1 59 . 1 1 13 13 ALA CB C 13 18.434 0.300 . 1 . . . . 13 ALA CB . 11399 1 60 . 1 1 13 13 ALA N N 15 124.152 0.300 . 1 . . . . 13 ALA N . 11399 1 61 . 1 1 14 14 PRO HA H 1 2.201 0.030 . 1 . . . . 14 PRO HA . 11399 1 62 . 1 1 14 14 PRO HB2 H 1 1.622 0.030 . 2 . . . . 14 PRO HB2 . 11399 1 63 . 1 1 14 14 PRO HB3 H 1 1.450 0.030 . 2 . . . . 14 PRO HB3 . 11399 1 64 . 1 1 14 14 PRO HD2 H 1 3.653 0.030 . 2 . . . . 14 PRO HD2 . 11399 1 65 . 1 1 14 14 PRO HD3 H 1 3.343 0.030 . 2 . . . . 14 PRO HD3 . 11399 1 66 . 1 1 14 14 PRO HG2 H 1 1.853 0.030 . 2 . . . . 14 PRO HG2 . 11399 1 67 . 1 1 14 14 PRO HG3 H 1 1.585 0.030 . 2 . . . . 14 PRO HG3 . 11399 1 68 . 1 1 14 14 PRO CA C 13 62.426 0.300 . 1 . . . . 14 PRO CA . 11399 1 69 . 1 1 14 14 PRO CB C 13 32.213 0.300 . 1 . . . . 14 PRO CB . 11399 1 70 . 1 1 14 14 PRO CD C 13 50.089 0.300 . 1 . . . . 14 PRO CD . 11399 1 71 . 1 1 14 14 PRO CG C 13 27.392 0.300 . 1 . . . . 14 PRO CG . 11399 1 72 . 1 1 15 15 SER H H 1 6.600 0.030 . 1 . . . . 15 SER H . 11399 1 73 . 1 1 15 15 SER HA H 1 4.548 0.030 . 1 . . . . 15 SER HA . 11399 1 74 . 1 1 15 15 SER HB2 H 1 4.048 0.030 . 2 . . . . 15 SER HB2 . 11399 1 75 . 1 1 15 15 SER HB3 H 1 3.804 0.030 . 2 . . . . 15 SER HB3 . 11399 1 76 . 1 1 15 15 SER CA C 13 55.353 0.300 . 1 . . . . 15 SER CA . 11399 1 77 . 1 1 15 15 SER CB C 13 65.327 0.300 . 1 . . . . 15 SER CB . 11399 1 78 . 1 1 15 15 SER N N 15 113.214 0.300 . 1 . . . . 15 SER N . 11399 1 79 . 1 1 16 16 ARG H H 1 8.563 0.030 . 1 . . . . 16 ARG H . 11399 1 80 . 1 1 16 16 ARG HA H 1 4.274 0.030 . 1 . . . . 16 ARG HA . 11399 1 81 . 1 1 16 16 ARG HB2 H 1 1.947 0.030 . 2 . . . . 16 ARG HB2 . 11399 1 82 . 1 1 16 16 ARG HB3 H 1 1.753 0.030 . 2 . . . . 16 ARG HB3 . 11399 1 83 . 1 1 16 16 ARG HD2 H 1 3.151 0.030 . 1 . . . . 16 ARG HD2 . 11399 1 84 . 1 1 16 16 ARG HD3 H 1 3.151 0.030 . 1 . . . . 16 ARG HD3 . 11399 1 85 . 1 1 16 16 ARG HG2 H 1 1.687 0.030 . 2 . . . . 16 ARG HG2 . 11399 1 86 . 1 1 16 16 ARG HG3 H 1 1.469 0.030 . 2 . . . . 16 ARG HG3 . 11399 1 87 . 1 1 16 16 ARG C C 13 174.301 0.300 . 1 . . . . 16 ARG C . 11399 1 88 . 1 1 16 16 ARG CA C 13 57.411 0.300 . 1 . . . . 16 ARG CA . 11399 1 89 . 1 1 16 16 ARG CB C 13 30.375 0.300 . 1 . . . . 16 ARG CB . 11399 1 90 . 1 1 16 16 ARG CD C 13 44.004 0.300 . 1 . . . . 16 ARG CD . 11399 1 91 . 1 1 16 16 ARG CG C 13 27.537 0.300 . 1 . . . . 16 ARG CG . 11399 1 92 . 1 1 16 16 ARG N N 15 118.712 0.300 . 1 . . . . 16 ARG N . 11399 1 93 . 1 1 17 17 VAL H H 1 8.541 0.030 . 1 . . . . 17 VAL H . 11399 1 94 . 1 1 17 17 VAL HA H 1 4.630 0.030 . 1 . . . . 17 VAL HA . 11399 1 95 . 1 1 17 17 VAL HB H 1 2.046 0.030 . 1 . . . . 17 VAL HB . 11399 1 96 . 1 1 17 17 VAL HG11 H 1 0.770 0.030 . 1 . . . . 17 VAL HG1 . 11399 1 97 . 1 1 17 17 VAL HG12 H 1 0.770 0.030 . 1 . . . . 17 VAL HG1 . 11399 1 98 . 1 1 17 17 VAL HG13 H 1 0.770 0.030 . 1 . . . . 17 VAL HG1 . 11399 1 99 . 1 1 17 17 VAL HG21 H 1 0.587 0.030 . 1 . . . . 17 VAL HG2 . 11399 1 100 . 1 1 17 17 VAL HG22 H 1 0.587 0.030 . 1 . . . . 17 VAL HG2 . 11399 1 101 . 1 1 17 17 VAL HG23 H 1 0.587 0.030 . 1 . . . . 17 VAL HG2 . 11399 1 102 . 1 1 17 17 VAL C C 13 174.893 0.300 . 1 . . . . 17 VAL C . 11399 1 103 . 1 1 17 17 VAL CA C 13 61.412 0.300 . 1 . . . . 17 VAL CA . 11399 1 104 . 1 1 17 17 VAL CB C 13 31.306 0.300 . 1 . . . . 17 VAL CB . 11399 1 105 . 1 1 17 17 VAL CG1 C 13 22.837 0.300 . 2 . . . . 17 VAL CG1 . 11399 1 106 . 1 1 17 17 VAL CG2 C 13 21.645 0.300 . 2 . . . . 17 VAL CG2 . 11399 1 107 . 1 1 17 17 VAL N N 15 117.876 0.300 . 1 . . . . 17 VAL N . 11399 1 108 . 1 1 18 18 LEU H H 1 9.614 0.030 . 1 . . . . 18 LEU H . 11399 1 109 . 1 1 18 18 LEU HA H 1 4.947 0.030 . 1 . . . . 18 LEU HA . 11399 1 110 . 1 1 18 18 LEU HB2 H 1 1.775 0.030 . 2 . . . . 18 LEU HB2 . 11399 1 111 . 1 1 18 18 LEU HB3 H 1 1.273 0.030 . 2 . . . . 18 LEU HB3 . 11399 1 112 . 1 1 18 18 LEU HD11 H 1 0.906 0.030 . 1 . . . . 18 LEU HD1 . 11399 1 113 . 1 1 18 18 LEU HD12 H 1 0.906 0.030 . 1 . . . . 18 LEU HD1 . 11399 1 114 . 1 1 18 18 LEU HD13 H 1 0.906 0.030 . 1 . . . . 18 LEU HD1 . 11399 1 115 . 1 1 18 18 LEU HD21 H 1 0.879 0.030 . 1 . . . . 18 LEU HD2 . 11399 1 116 . 1 1 18 18 LEU HD22 H 1 0.879 0.030 . 1 . . . . 18 LEU HD2 . 11399 1 117 . 1 1 18 18 LEU HD23 H 1 0.879 0.030 . 1 . . . . 18 LEU HD2 . 11399 1 118 . 1 1 18 18 LEU HG H 1 1.799 0.030 . 1 . . . . 18 LEU HG . 11399 1 119 . 1 1 18 18 LEU C C 13 175.312 0.300 . 1 . . . . 18 LEU C . 11399 1 120 . 1 1 18 18 LEU CA C 13 53.125 0.300 . 1 . . . . 18 LEU CA . 11399 1 121 . 1 1 18 18 LEU CB C 13 43.276 0.300 . 1 . . . . 18 LEU CB . 11399 1 122 . 1 1 18 18 LEU CD1 C 13 26.302 0.300 . 2 . . . . 18 LEU CD1 . 11399 1 123 . 1 1 18 18 LEU CD2 C 13 25.184 0.300 . 2 . . . . 18 LEU CD2 . 11399 1 124 . 1 1 18 18 LEU CG C 13 27.366 0.300 . 1 . . . . 18 LEU CG . 11399 1 125 . 1 1 18 18 LEU N N 15 127.770 0.300 . 1 . . . . 18 LEU N . 11399 1 126 . 1 1 19 19 HIS H H 1 9.485 0.030 . 1 . . . . 19 HIS H . 11399 1 127 . 1 1 19 19 HIS HA H 1 5.051 0.030 . 1 . . . . 19 HIS HA . 11399 1 128 . 1 1 19 19 HIS HB2 H 1 3.138 0.030 . 2 . . . . 19 HIS HB2 . 11399 1 129 . 1 1 19 19 HIS HB3 H 1 2.593 0.030 . 2 . . . . 19 HIS HB3 . 11399 1 130 . 1 1 19 19 HIS HD2 H 1 6.189 0.030 . 1 . . . . 19 HIS HD2 . 11399 1 131 . 1 1 19 19 HIS HE1 H 1 7.628 0.030 . 1 . . . . 19 HIS HE1 . 11399 1 132 . 1 1 19 19 HIS C C 13 173.493 0.300 . 1 . . . . 19 HIS C . 11399 1 133 . 1 1 19 19 HIS CA C 13 53.351 0.300 . 1 . . . . 19 HIS CA . 11399 1 134 . 1 1 19 19 HIS CB C 13 34.822 0.300 . 1 . . . . 19 HIS CB . 11399 1 135 . 1 1 19 19 HIS CD2 C 13 115.185 0.300 . 1 . . . . 19 HIS CD2 . 11399 1 136 . 1 1 19 19 HIS CE1 C 13 138.374 0.300 . 1 . . . . 19 HIS CE1 . 11399 1 137 . 1 1 19 19 HIS N N 15 124.113 0.300 . 1 . . . . 19 HIS N . 11399 1 138 . 1 1 20 20 ILE H H 1 9.321 0.030 . 1 . . . . 20 ILE H . 11399 1 139 . 1 1 20 20 ILE HA H 1 4.753 0.030 . 1 . . . . 20 ILE HA . 11399 1 140 . 1 1 20 20 ILE HB H 1 1.632 0.030 . 1 . . . . 20 ILE HB . 11399 1 141 . 1 1 20 20 ILE HD11 H 1 0.590 0.030 . 1 . . . . 20 ILE HD1 . 11399 1 142 . 1 1 20 20 ILE HD12 H 1 0.590 0.030 . 1 . . . . 20 ILE HD1 . 11399 1 143 . 1 1 20 20 ILE HD13 H 1 0.590 0.030 . 1 . . . . 20 ILE HD1 . 11399 1 144 . 1 1 20 20 ILE HG12 H 1 1.324 0.030 . 2 . . . . 20 ILE HG12 . 11399 1 145 . 1 1 20 20 ILE HG13 H 1 0.979 0.030 . 2 . . . . 20 ILE HG13 . 11399 1 146 . 1 1 20 20 ILE HG21 H 1 0.694 0.030 . 1 . . . . 20 ILE HG2 . 11399 1 147 . 1 1 20 20 ILE HG22 H 1 0.694 0.030 . 1 . . . . 20 ILE HG2 . 11399 1 148 . 1 1 20 20 ILE HG23 H 1 0.694 0.030 . 1 . . . . 20 ILE HG2 . 11399 1 149 . 1 1 20 20 ILE C C 13 174.625 0.300 . 1 . . . . 20 ILE C . 11399 1 150 . 1 1 20 20 ILE CA C 13 59.721 0.300 . 1 . . . . 20 ILE CA . 11399 1 151 . 1 1 20 20 ILE CB C 13 38.308 0.300 . 1 . . . . 20 ILE CB . 11399 1 152 . 1 1 20 20 ILE CD1 C 13 13.591 0.300 . 1 . . . . 20 ILE CD1 . 11399 1 153 . 1 1 20 20 ILE CG1 C 13 27.521 0.300 . 1 . . . . 20 ILE CG1 . 11399 1 154 . 1 1 20 20 ILE CG2 C 13 19.255 0.300 . 1 . . . . 20 ILE CG2 . 11399 1 155 . 1 1 20 20 ILE N N 15 128.356 0.300 . 1 . . . . 20 ILE N . 11399 1 156 . 1 1 21 21 ARG H H 1 8.877 0.030 . 1 . . . . 21 ARG H . 11399 1 157 . 1 1 21 21 ARG HA H 1 4.797 0.030 . 1 . . . . 21 ARG HA . 11399 1 158 . 1 1 21 21 ARG HB2 H 1 1.796 0.030 . 2 . . . . 21 ARG HB2 . 11399 1 159 . 1 1 21 21 ARG HB3 H 1 1.508 0.030 . 2 . . . . 21 ARG HB3 . 11399 1 160 . 1 1 21 21 ARG HD2 H 1 2.768 0.030 . 1 . . . . 21 ARG HD2 . 11399 1 161 . 1 1 21 21 ARG HD3 H 1 2.768 0.030 . 1 . . . . 21 ARG HD3 . 11399 1 162 . 1 1 21 21 ARG HG2 H 1 1.004 0.030 . 1 . . . . 21 ARG HG2 . 11399 1 163 . 1 1 21 21 ARG HG3 H 1 1.004 0.030 . 1 . . . . 21 ARG HG3 . 11399 1 164 . 1 1 21 21 ARG C C 13 174.117 0.300 . 1 . . . . 21 ARG C . 11399 1 165 . 1 1 21 21 ARG CA C 13 54.370 0.300 . 1 . . . . 21 ARG CA . 11399 1 166 . 1 1 21 21 ARG CB C 13 34.435 0.300 . 1 . . . . 21 ARG CB . 11399 1 167 . 1 1 21 21 ARG CD C 13 43.445 0.300 . 1 . . . . 21 ARG CD . 11399 1 168 . 1 1 21 21 ARG CG C 13 27.872 0.300 . 1 . . . . 21 ARG CG . 11399 1 169 . 1 1 21 21 ARG N N 15 123.935 0.300 . 1 . . . . 21 ARG N . 11399 1 170 . 1 1 22 22 LYS H H 1 8.561 0.030 . 1 . . . . 22 LYS H . 11399 1 171 . 1 1 22 22 LYS HA H 1 3.762 0.030 . 1 . . . . 22 LYS HA . 11399 1 172 . 1 1 22 22 LYS HB2 H 1 2.110 0.030 . 1 . . . . 22 LYS HB2 . 11399 1 173 . 1 1 22 22 LYS HB3 H 1 2.110 0.030 . 1 . . . . 22 LYS HB3 . 11399 1 174 . 1 1 22 22 LYS HD2 H 1 1.579 0.030 . 1 . . . . 22 LYS HD2 . 11399 1 175 . 1 1 22 22 LYS HD3 H 1 1.579 0.030 . 1 . . . . 22 LYS HD3 . 11399 1 176 . 1 1 22 22 LYS HE2 H 1 2.828 0.030 . 1 . . . . 22 LYS HE2 . 11399 1 177 . 1 1 22 22 LYS HE3 H 1 2.828 0.030 . 1 . . . . 22 LYS HE3 . 11399 1 178 . 1 1 22 22 LYS HG2 H 1 1.322 0.030 . 1 . . . . 22 LYS HG2 . 11399 1 179 . 1 1 22 22 LYS HG3 H 1 1.322 0.030 . 1 . . . . 22 LYS HG3 . 11399 1 180 . 1 1 22 22 LYS C C 13 175.327 0.300 . 1 . . . . 22 LYS C . 11399 1 181 . 1 1 22 22 LYS CA C 13 56.665 0.300 . 1 . . . . 22 LYS CA . 11399 1 182 . 1 1 22 22 LYS CB C 13 29.265 0.300 . 1 . . . . 22 LYS CB . 11399 1 183 . 1 1 22 22 LYS CD C 13 29.079 0.300 . 1 . . . . 22 LYS CD . 11399 1 184 . 1 1 22 22 LYS CE C 13 41.966 0.300 . 1 . . . . 22 LYS CE . 11399 1 185 . 1 1 22 22 LYS CG C 13 25.583 0.300 . 1 . . . . 22 LYS CG . 11399 1 186 . 1 1 22 22 LYS N N 15 114.139 0.300 . 1 . . . . 22 LYS N . 11399 1 187 . 1 1 23 23 LEU H H 1 7.746 0.030 . 1 . . . . 23 LEU H . 11399 1 188 . 1 1 23 23 LEU HA H 1 4.025 0.030 . 1 . . . . 23 LEU HA . 11399 1 189 . 1 1 23 23 LEU HB2 H 1 1.126 0.030 . 1 . . . . 23 LEU HB2 . 11399 1 190 . 1 1 23 23 LEU HB3 H 1 1.126 0.030 . 1 . . . . 23 LEU HB3 . 11399 1 191 . 1 1 23 23 LEU HD11 H 1 0.610 0.030 . 1 . . . . 23 LEU HD1 . 11399 1 192 . 1 1 23 23 LEU HD12 H 1 0.610 0.030 . 1 . . . . 23 LEU HD1 . 11399 1 193 . 1 1 23 23 LEU HD13 H 1 0.610 0.030 . 1 . . . . 23 LEU HD1 . 11399 1 194 . 1 1 23 23 LEU HD21 H 1 0.498 0.030 . 1 . . . . 23 LEU HD2 . 11399 1 195 . 1 1 23 23 LEU HD22 H 1 0.498 0.030 . 1 . . . . 23 LEU HD2 . 11399 1 196 . 1 1 23 23 LEU HD23 H 1 0.498 0.030 . 1 . . . . 23 LEU HD2 . 11399 1 197 . 1 1 23 23 LEU HG H 1 1.296 0.030 . 1 . . . . 23 LEU HG . 11399 1 198 . 1 1 23 23 LEU C C 13 175.718 0.300 . 1 . . . . 23 LEU C . 11399 1 199 . 1 1 23 23 LEU CA C 13 53.547 0.300 . 1 . . . . 23 LEU CA . 11399 1 200 . 1 1 23 23 LEU CB C 13 41.695 0.300 . 1 . . . . 23 LEU CB . 11399 1 201 . 1 1 23 23 LEU CD1 C 13 25.155 0.300 . 2 . . . . 23 LEU CD1 . 11399 1 202 . 1 1 23 23 LEU CD2 C 13 26.164 0.300 . 2 . . . . 23 LEU CD2 . 11399 1 203 . 1 1 23 23 LEU CG C 13 26.934 0.300 . 1 . . . . 23 LEU CG . 11399 1 204 . 1 1 23 23 LEU N N 15 115.449 0.300 . 1 . . . . 23 LEU N . 11399 1 205 . 1 1 24 24 PRO HA H 1 4.427 0.030 . 1 . . . . 24 PRO HA . 11399 1 206 . 1 1 24 24 PRO HB2 H 1 2.291 0.030 . 2 . . . . 24 PRO HB2 . 11399 1 207 . 1 1 24 24 PRO HB3 H 1 1.759 0.030 . 2 . . . . 24 PRO HB3 . 11399 1 208 . 1 1 24 24 PRO HD2 H 1 3.700 0.030 . 2 . . . . 24 PRO HD2 . 11399 1 209 . 1 1 24 24 PRO HD3 H 1 3.149 0.030 . 2 . . . . 24 PRO HD3 . 11399 1 210 . 1 1 24 24 PRO HG2 H 1 1.892 0.030 . 2 . . . . 24 PRO HG2 . 11399 1 211 . 1 1 24 24 PRO HG3 H 1 1.699 0.030 . 2 . . . . 24 PRO HG3 . 11399 1 212 . 1 1 24 24 PRO CA C 13 62.372 0.300 . 1 . . . . 24 PRO CA . 11399 1 213 . 1 1 24 24 PRO CB C 13 31.556 0.300 . 1 . . . . 24 PRO CB . 11399 1 214 . 1 1 24 24 PRO CD C 13 50.053 0.300 . 1 . . . . 24 PRO CD . 11399 1 215 . 1 1 24 24 PRO CG C 13 27.600 0.300 . 1 . . . . 24 PRO CG . 11399 1 216 . 1 1 25 25 GLY H H 1 8.594 0.030 . 1 . . . . 25 GLY H . 11399 1 217 . 1 1 25 25 GLY HA2 H 1 3.818 0.030 . 2 . . . . 25 GLY HA2 . 11399 1 218 . 1 1 25 25 GLY HA3 H 1 3.770 0.030 . 2 . . . . 25 GLY HA3 . 11399 1 219 . 1 1 25 25 GLY CA C 13 46.788 0.300 . 1 . . . . 25 GLY CA . 11399 1 220 . 1 1 25 25 GLY N N 15 109.764 0.300 . 1 . . . . 25 GLY N . 11399 1 221 . 1 1 26 26 GLU H H 1 8.415 0.030 . 1 . . . . 26 GLU H . 11399 1 222 . 1 1 26 26 GLU HA H 1 4.187 0.030 . 1 . . . . 26 GLU HA . 11399 1 223 . 1 1 26 26 GLU HB2 H 1 2.104 0.030 . 2 . . . . 26 GLU HB2 . 11399 1 224 . 1 1 26 26 GLU HB3 H 1 1.940 0.030 . 2 . . . . 26 GLU HB3 . 11399 1 225 . 1 1 26 26 GLU HG2 H 1 2.169 0.030 . 1 . . . . 26 GLU HG2 . 11399 1 226 . 1 1 26 26 GLU HG3 H 1 2.169 0.030 . 1 . . . . 26 GLU HG3 . 11399 1 227 . 1 1 26 26 GLU C C 13 175.698 0.300 . 1 . . . . 26 GLU C . 11399 1 228 . 1 1 26 26 GLU CA C 13 56.730 0.300 . 1 . . . . 26 GLU CA . 11399 1 229 . 1 1 26 26 GLU CB C 13 28.954 0.300 . 1 . . . . 26 GLU CB . 11399 1 230 . 1 1 26 26 GLU CG C 13 36.565 0.300 . 1 . . . . 26 GLU CG . 11399 1 231 . 1 1 26 26 GLU N N 15 116.270 0.300 . 1 . . . . 26 GLU N . 11399 1 232 . 1 1 27 27 VAL H H 1 7.055 0.030 . 1 . . . . 27 VAL H . 11399 1 233 . 1 1 27 27 VAL HA H 1 4.127 0.030 . 1 . . . . 27 VAL HA . 11399 1 234 . 1 1 27 27 VAL HB H 1 1.959 0.030 . 1 . . . . 27 VAL HB . 11399 1 235 . 1 1 27 27 VAL HG11 H 1 0.946 0.030 . 1 . . . . 27 VAL HG1 . 11399 1 236 . 1 1 27 27 VAL HG12 H 1 0.946 0.030 . 1 . . . . 27 VAL HG1 . 11399 1 237 . 1 1 27 27 VAL HG13 H 1 0.946 0.030 . 1 . . . . 27 VAL HG1 . 11399 1 238 . 1 1 27 27 VAL HG21 H 1 0.773 0.030 . 1 . . . . 27 VAL HG2 . 11399 1 239 . 1 1 27 27 VAL HG22 H 1 0.773 0.030 . 1 . . . . 27 VAL HG2 . 11399 1 240 . 1 1 27 27 VAL HG23 H 1 0.773 0.030 . 1 . . . . 27 VAL HG2 . 11399 1 241 . 1 1 27 27 VAL C C 13 174.324 0.300 . 1 . . . . 27 VAL C . 11399 1 242 . 1 1 27 27 VAL CA C 13 62.017 0.300 . 1 . . . . 27 VAL CA . 11399 1 243 . 1 1 27 27 VAL CB C 13 32.497 0.300 . 1 . . . . 27 VAL CB . 11399 1 244 . 1 1 27 27 VAL CG1 C 13 22.576 0.300 . 2 . . . . 27 VAL CG1 . 11399 1 245 . 1 1 27 27 VAL CG2 C 13 21.748 0.300 . 2 . . . . 27 VAL CG2 . 11399 1 246 . 1 1 27 27 VAL N N 15 117.015 0.300 . 1 . . . . 27 VAL N . 11399 1 247 . 1 1 28 28 THR H H 1 8.138 0.030 . 1 . . . . 28 THR H . 11399 1 248 . 1 1 28 28 THR HA H 1 4.665 0.030 . 1 . . . . 28 THR HA . 11399 1 249 . 1 1 28 28 THR HB H 1 4.626 0.030 . 1 . . . . 28 THR HB . 11399 1 250 . 1 1 28 28 THR HG21 H 1 1.269 0.030 . 1 . . . . 28 THR HG2 . 11399 1 251 . 1 1 28 28 THR HG22 H 1 1.269 0.030 . 1 . . . . 28 THR HG2 . 11399 1 252 . 1 1 28 28 THR HG23 H 1 1.269 0.030 . 1 . . . . 28 THR HG2 . 11399 1 253 . 1 1 28 28 THR C C 13 175.688 0.300 . 1 . . . . 28 THR C . 11399 1 254 . 1 1 28 28 THR CA C 13 60.101 0.300 . 1 . . . . 28 THR CA . 11399 1 255 . 1 1 28 28 THR CB C 13 72.370 0.300 . 1 . . . . 28 THR CB . 11399 1 256 . 1 1 28 28 THR CG2 C 13 21.860 0.300 . 1 . . . . 28 THR CG2 . 11399 1 257 . 1 1 28 28 THR N N 15 114.894 0.300 . 1 . . . . 28 THR N . 11399 1 258 . 1 1 29 29 GLU H H 1 9.208 0.030 . 1 . . . . 29 GLU H . 11399 1 259 . 1 1 29 29 GLU HA H 1 3.944 0.030 . 1 . . . . 29 GLU HA . 11399 1 260 . 1 1 29 29 GLU HB2 H 1 2.132 0.030 . 2 . . . . 29 GLU HB2 . 11399 1 261 . 1 1 29 29 GLU HB3 H 1 2.013 0.030 . 2 . . . . 29 GLU HB3 . 11399 1 262 . 1 1 29 29 GLU HG2 H 1 2.370 0.030 . 2 . . . . 29 GLU HG2 . 11399 1 263 . 1 1 29 29 GLU HG3 H 1 2.300 0.030 . 2 . . . . 29 GLU HG3 . 11399 1 264 . 1 1 29 29 GLU C C 13 178.679 0.300 . 1 . . . . 29 GLU C . 11399 1 265 . 1 1 29 29 GLU CA C 13 60.613 0.300 . 1 . . . . 29 GLU CA . 11399 1 266 . 1 1 29 29 GLU CB C 13 29.836 0.300 . 1 . . . . 29 GLU CB . 11399 1 267 . 1 1 29 29 GLU CG C 13 37.494 0.300 . 1 . . . . 29 GLU CG . 11399 1 268 . 1 1 29 29 GLU N N 15 120.975 0.300 . 1 . . . . 29 GLU N . 11399 1 269 . 1 1 30 30 THR H H 1 7.976 0.030 . 1 . . . . 30 THR H . 11399 1 270 . 1 1 30 30 THR HA H 1 3.811 0.030 . 1 . . . . 30 THR HA . 11399 1 271 . 1 1 30 30 THR HB H 1 4.057 0.030 . 1 . . . . 30 THR HB . 11399 1 272 . 1 1 30 30 THR HG21 H 1 1.248 0.030 . 1 . . . . 30 THR HG2 . 11399 1 273 . 1 1 30 30 THR HG22 H 1 1.248 0.030 . 1 . . . . 30 THR HG2 . 11399 1 274 . 1 1 30 30 THR HG23 H 1 1.248 0.030 . 1 . . . . 30 THR HG2 . 11399 1 275 . 1 1 30 30 THR C C 13 176.372 0.300 . 1 . . . . 30 THR C . 11399 1 276 . 1 1 30 30 THR CA C 13 66.467 0.300 . 1 . . . . 30 THR CA . 11399 1 277 . 1 1 30 30 THR CB C 13 68.934 0.300 . 1 . . . . 30 THR CB . 11399 1 278 . 1 1 30 30 THR CG2 C 13 21.936 0.300 . 1 . . . . 30 THR CG2 . 11399 1 279 . 1 1 30 30 THR N N 15 112.184 0.300 . 1 . . . . 30 THR N . 11399 1 280 . 1 1 31 31 GLU H H 1 7.412 0.030 . 1 . . . . 31 GLU H . 11399 1 281 . 1 1 31 31 GLU HA H 1 3.972 0.030 . 1 . . . . 31 GLU HA . 11399 1 282 . 1 1 31 31 GLU HB2 H 1 2.319 0.030 . 2 . . . . 31 GLU HB2 . 11399 1 283 . 1 1 31 31 GLU HB3 H 1 1.983 0.030 . 2 . . . . 31 GLU HB3 . 11399 1 284 . 1 1 31 31 GLU HG2 H 1 2.271 0.030 . 2 . . . . 31 GLU HG2 . 11399 1 285 . 1 1 31 31 GLU HG3 H 1 2.191 0.030 . 2 . . . . 31 GLU HG3 . 11399 1 286 . 1 1 31 31 GLU C C 13 177.452 0.300 . 1 . . . . 31 GLU C . 11399 1 287 . 1 1 31 31 GLU CA C 13 59.100 0.300 . 1 . . . . 31 GLU CA . 11399 1 288 . 1 1 31 31 GLU CB C 13 31.196 0.300 . 1 . . . . 31 GLU CB . 11399 1 289 . 1 1 31 31 GLU CG C 13 38.310 0.300 . 1 . . . . 31 GLU CG . 11399 1 290 . 1 1 31 31 GLU N N 15 120.276 0.300 . 1 . . . . 31 GLU N . 11399 1 291 . 1 1 32 32 VAL H H 1 7.230 0.030 . 1 . . . . 32 VAL H . 11399 1 292 . 1 1 32 32 VAL HA H 1 3.531 0.030 . 1 . . . . 32 VAL HA . 11399 1 293 . 1 1 32 32 VAL HB H 1 2.068 0.030 . 1 . . . . 32 VAL HB . 11399 1 294 . 1 1 32 32 VAL HG11 H 1 0.788 0.030 . 1 . . . . 32 VAL HG1 . 11399 1 295 . 1 1 32 32 VAL HG12 H 1 0.788 0.030 . 1 . . . . 32 VAL HG1 . 11399 1 296 . 1 1 32 32 VAL HG13 H 1 0.788 0.030 . 1 . . . . 32 VAL HG1 . 11399 1 297 . 1 1 32 32 VAL HG21 H 1 0.738 0.030 . 1 . . . . 32 VAL HG2 . 11399 1 298 . 1 1 32 32 VAL HG22 H 1 0.738 0.030 . 1 . . . . 32 VAL HG2 . 11399 1 299 . 1 1 32 32 VAL HG23 H 1 0.738 0.030 . 1 . . . . 32 VAL HG2 . 11399 1 300 . 1 1 32 32 VAL C C 13 177.784 0.300 . 1 . . . . 32 VAL C . 11399 1 301 . 1 1 32 32 VAL CA C 13 66.129 0.300 . 1 . . . . 32 VAL CA . 11399 1 302 . 1 1 32 32 VAL CB C 13 31.310 0.300 . 1 . . . . 32 VAL CB . 11399 1 303 . 1 1 32 32 VAL CG1 C 13 23.455 0.300 . 2 . . . . 32 VAL CG1 . 11399 1 304 . 1 1 32 32 VAL CG2 C 13 22.826 0.300 . 2 . . . . 32 VAL CG2 . 11399 1 305 . 1 1 32 32 VAL N N 15 118.157 0.300 . 1 . . . . 32 VAL N . 11399 1 306 . 1 1 33 33 ILE H H 1 8.431 0.030 . 1 . . . . 33 ILE H . 11399 1 307 . 1 1 33 33 ILE HA H 1 3.520 0.030 . 1 . . . . 33 ILE HA . 11399 1 308 . 1 1 33 33 ILE HB H 1 1.804 0.030 . 1 . . . . 33 ILE HB . 11399 1 309 . 1 1 33 33 ILE HD11 H 1 0.838 0.030 . 1 . . . . 33 ILE HD1 . 11399 1 310 . 1 1 33 33 ILE HD12 H 1 0.838 0.030 . 1 . . . . 33 ILE HD1 . 11399 1 311 . 1 1 33 33 ILE HD13 H 1 0.838 0.030 . 1 . . . . 33 ILE HD1 . 11399 1 312 . 1 1 33 33 ILE HG12 H 1 1.805 0.030 . 2 . . . . 33 ILE HG12 . 11399 1 313 . 1 1 33 33 ILE HG13 H 1 0.838 0.030 . 2 . . . . 33 ILE HG13 . 11399 1 314 . 1 1 33 33 ILE HG21 H 1 0.942 0.030 . 1 . . . . 33 ILE HG2 . 11399 1 315 . 1 1 33 33 ILE HG22 H 1 0.942 0.030 . 1 . . . . 33 ILE HG2 . 11399 1 316 . 1 1 33 33 ILE HG23 H 1 0.942 0.030 . 1 . . . . 33 ILE HG2 . 11399 1 317 . 1 1 33 33 ILE C C 13 178.553 0.300 . 1 . . . . 33 ILE C . 11399 1 318 . 1 1 33 33 ILE CA C 13 66.137 0.300 . 1 . . . . 33 ILE CA . 11399 1 319 . 1 1 33 33 ILE CB C 13 38.760 0.300 . 1 . . . . 33 ILE CB . 11399 1 320 . 1 1 33 33 ILE CD1 C 13 13.824 0.300 . 1 . . . . 33 ILE CD1 . 11399 1 321 . 1 1 33 33 ILE CG1 C 13 30.327 0.300 . 1 . . . . 33 ILE CG1 . 11399 1 322 . 1 1 33 33 ILE CG2 C 13 16.914 0.300 . 1 . . . . 33 ILE CG2 . 11399 1 323 . 1 1 33 33 ILE N N 15 119.589 0.300 . 1 . . . . 33 ILE N . 11399 1 324 . 1 1 34 34 ALA H H 1 7.652 0.030 . 1 . . . . 34 ALA H . 11399 1 325 . 1 1 34 34 ALA HA H 1 4.001 0.030 . 1 . . . . 34 ALA HA . 11399 1 326 . 1 1 34 34 ALA HB1 H 1 1.508 0.030 . 1 . . . . 34 ALA HB . 11399 1 327 . 1 1 34 34 ALA HB2 H 1 1.508 0.030 . 1 . . . . 34 ALA HB . 11399 1 328 . 1 1 34 34 ALA HB3 H 1 1.508 0.030 . 1 . . . . 34 ALA HB . 11399 1 329 . 1 1 34 34 ALA C C 13 179.604 0.300 . 1 . . . . 34 ALA C . 11399 1 330 . 1 1 34 34 ALA CA C 13 54.681 0.300 . 1 . . . . 34 ALA CA . 11399 1 331 . 1 1 34 34 ALA CB C 13 18.260 0.300 . 1 . . . . 34 ALA CB . 11399 1 332 . 1 1 34 34 ALA N N 15 118.627 0.300 . 1 . . . . 34 ALA N . 11399 1 333 . 1 1 35 35 LEU H H 1 7.508 0.030 . 1 . . . . 35 LEU H . 11399 1 334 . 1 1 35 35 LEU HA H 1 4.254 0.030 . 1 . . . . 35 LEU HA . 11399 1 335 . 1 1 35 35 LEU HB2 H 1 1.992 0.030 . 2 . . . . 35 LEU HB2 . 11399 1 336 . 1 1 35 35 LEU HB3 H 1 1.284 0.030 . 2 . . . . 35 LEU HB3 . 11399 1 337 . 1 1 35 35 LEU HD11 H 1 0.770 0.030 . 1 . . . . 35 LEU HD1 . 11399 1 338 . 1 1 35 35 LEU HD12 H 1 0.770 0.030 . 1 . . . . 35 LEU HD1 . 11399 1 339 . 1 1 35 35 LEU HD13 H 1 0.770 0.030 . 1 . . . . 35 LEU HD1 . 11399 1 340 . 1 1 35 35 LEU HD21 H 1 0.721 0.030 . 1 . . . . 35 LEU HD2 . 11399 1 341 . 1 1 35 35 LEU HD22 H 1 0.721 0.030 . 1 . . . . 35 LEU HD2 . 11399 1 342 . 1 1 35 35 LEU HD23 H 1 0.721 0.030 . 1 . . . . 35 LEU HD2 . 11399 1 343 . 1 1 35 35 LEU HG H 1 1.974 0.030 . 1 . . . . 35 LEU HG . 11399 1 344 . 1 1 35 35 LEU C C 13 179.733 0.300 . 1 . . . . 35 LEU C . 11399 1 345 . 1 1 35 35 LEU CA C 13 56.927 0.300 . 1 . . . . 35 LEU CA . 11399 1 346 . 1 1 35 35 LEU CB C 13 43.184 0.300 . 1 . . . . 35 LEU CB . 11399 1 347 . 1 1 35 35 LEU CD1 C 13 22.499 0.300 . 2 . . . . 35 LEU CD1 . 11399 1 348 . 1 1 35 35 LEU CD2 C 13 26.262 0.300 . 2 . . . . 35 LEU CD2 . 11399 1 349 . 1 1 35 35 LEU CG C 13 26.311 0.300 . 1 . . . . 35 LEU CG . 11399 1 350 . 1 1 35 35 LEU N N 15 115.382 0.300 . 1 . . . . 35 LEU N . 11399 1 351 . 1 1 36 36 GLY H H 1 8.015 0.030 . 1 . . . . 36 GLY H . 11399 1 352 . 1 1 36 36 GLY HA2 H 1 5.095 0.030 . 2 . . . . 36 GLY HA2 . 11399 1 353 . 1 1 36 36 GLY HA3 H 1 3.371 0.030 . 2 . . . . 36 GLY HA3 . 11399 1 354 . 1 1 36 36 GLY C C 13 173.313 0.300 . 1 . . . . 36 GLY C . 11399 1 355 . 1 1 36 36 GLY CA C 13 46.103 0.300 . 1 . . . . 36 GLY CA . 11399 1 356 . 1 1 36 36 GLY N N 15 102.311 0.300 . 1 . . . . 36 GLY N . 11399 1 357 . 1 1 37 37 LEU H H 1 7.128 0.030 . 1 . . . . 37 LEU H . 11399 1 358 . 1 1 37 37 LEU HA H 1 4.686 0.030 . 1 . . . . 37 LEU HA . 11399 1 359 . 1 1 37 37 LEU HB2 H 1 1.820 0.030 . 2 . . . . 37 LEU HB2 . 11399 1 360 . 1 1 37 37 LEU HB3 H 1 1.474 0.030 . 2 . . . . 37 LEU HB3 . 11399 1 361 . 1 1 37 37 LEU HD11 H 1 0.938 0.030 . 1 . . . . 37 LEU HD1 . 11399 1 362 . 1 1 37 37 LEU HD12 H 1 0.938 0.030 . 1 . . . . 37 LEU HD1 . 11399 1 363 . 1 1 37 37 LEU HD13 H 1 0.938 0.030 . 1 . . . . 37 LEU HD1 . 11399 1 364 . 1 1 37 37 LEU HD21 H 1 0.948 0.030 . 1 . . . . 37 LEU HD2 . 11399 1 365 . 1 1 37 37 LEU HD22 H 1 0.948 0.030 . 1 . . . . 37 LEU HD2 . 11399 1 366 . 1 1 37 37 LEU HD23 H 1 0.948 0.030 . 1 . . . . 37 LEU HD2 . 11399 1 367 . 1 1 37 37 LEU HG H 1 1.902 0.030 . 1 . . . . 37 LEU HG . 11399 1 368 . 1 1 37 37 LEU C C 13 175.624 0.300 . 1 . . . . 37 LEU C . 11399 1 369 . 1 1 37 37 LEU CA C 13 57.902 0.300 . 1 . . . . 37 LEU CA . 11399 1 370 . 1 1 37 37 LEU CB C 13 40.262 0.300 . 1 . . . . 37 LEU CB . 11399 1 371 . 1 1 37 37 LEU CD1 C 13 25.418 0.300 . 2 . . . . 37 LEU CD1 . 11399 1 372 . 1 1 37 37 LEU CD2 C 13 22.471 0.300 . 2 . . . . 37 LEU CD2 . 11399 1 373 . 1 1 37 37 LEU CG C 13 26.173 0.300 . 1 . . . . 37 LEU CG . 11399 1 374 . 1 1 37 37 LEU N N 15 119.521 0.300 . 1 . . . . 37 LEU N . 11399 1 375 . 1 1 38 38 PRO HA H 1 4.041 0.030 . 1 . . . . 38 PRO HA . 11399 1 376 . 1 1 38 38 PRO HB2 H 1 1.756 0.030 . 2 . . . . 38 PRO HB2 . 11399 1 377 . 1 1 38 38 PRO HB3 H 1 0.128 0.030 . 2 . . . . 38 PRO HB3 . 11399 1 378 . 1 1 38 38 PRO HD2 H 1 3.754 0.030 . 2 . . . . 38 PRO HD2 . 11399 1 379 . 1 1 38 38 PRO HD3 H 1 3.187 0.030 . 2 . . . . 38 PRO HD3 . 11399 1 380 . 1 1 38 38 PRO HG2 H 1 1.690 0.030 . 2 . . . . 38 PRO HG2 . 11399 1 381 . 1 1 38 38 PRO HG3 H 1 1.619 0.030 . 2 . . . . 38 PRO HG3 . 11399 1 382 . 1 1 38 38 PRO C C 13 176.440 0.300 . 1 . . . . 38 PRO C . 11399 1 383 . 1 1 38 38 PRO CA C 13 64.695 0.300 . 1 . . . . 38 PRO CA . 11399 1 384 . 1 1 38 38 PRO CB C 13 30.732 0.300 . 1 . . . . 38 PRO CB . 11399 1 385 . 1 1 38 38 PRO CD C 13 51.276 0.300 . 1 . . . . 38 PRO CD . 11399 1 386 . 1 1 38 38 PRO CG C 13 28.075 0.300 . 1 . . . . 38 PRO CG . 11399 1 387 . 1 1 39 39 PHE H H 1 7.952 0.030 . 1 . . . . 39 PHE H . 11399 1 388 . 1 1 39 39 PHE HA H 1 4.352 0.030 . 1 . . . . 39 PHE HA . 11399 1 389 . 1 1 39 39 PHE HB2 H 1 3.359 0.030 . 2 . . . . 39 PHE HB2 . 11399 1 390 . 1 1 39 39 PHE HB3 H 1 2.836 0.030 . 2 . . . . 39 PHE HB3 . 11399 1 391 . 1 1 39 39 PHE HD1 H 1 7.320 0.030 . 1 . . . . 39 PHE HD1 . 11399 1 392 . 1 1 39 39 PHE HD2 H 1 7.320 0.030 . 1 . . . . 39 PHE HD2 . 11399 1 393 . 1 1 39 39 PHE HE1 H 1 7.107 0.030 . 1 . . . . 39 PHE HE1 . 11399 1 394 . 1 1 39 39 PHE HE2 H 1 7.107 0.030 . 1 . . . . 39 PHE HE2 . 11399 1 395 . 1 1 39 39 PHE HZ H 1 6.128 0.030 . 1 . . . . 39 PHE HZ . 11399 1 396 . 1 1 39 39 PHE C C 13 175.524 0.300 . 1 . . . . 39 PHE C . 11399 1 397 . 1 1 39 39 PHE CA C 13 58.435 0.300 . 1 . . . . 39 PHE CA . 11399 1 398 . 1 1 39 39 PHE CB C 13 40.022 0.300 . 1 . . . . 39 PHE CB . 11399 1 399 . 1 1 39 39 PHE CD1 C 13 131.893 0.300 . 1 . . . . 39 PHE CD1 . 11399 1 400 . 1 1 39 39 PHE CD2 C 13 131.893 0.300 . 1 . . . . 39 PHE CD2 . 11399 1 401 . 1 1 39 39 PHE CE1 C 13 131.190 0.300 . 1 . . . . 39 PHE CE1 . 11399 1 402 . 1 1 39 39 PHE CE2 C 13 131.190 0.300 . 1 . . . . 39 PHE CE2 . 11399 1 403 . 1 1 39 39 PHE CZ C 13 129.307 0.300 . 1 . . . . 39 PHE CZ . 11399 1 404 . 1 1 39 39 PHE N N 15 113.374 0.300 . 1 . . . . 39 PHE N . 11399 1 405 . 1 1 40 40 GLY H H 1 7.848 0.030 . 1 . . . . 40 GLY H . 11399 1 406 . 1 1 40 40 GLY HA2 H 1 3.958 0.030 . 1 . . . . 40 GLY HA2 . 11399 1 407 . 1 1 40 40 GLY HA3 H 1 3.958 0.030 . 1 . . . . 40 GLY HA3 . 11399 1 408 . 1 1 40 40 GLY C C 13 180.797 0.300 . 1 . . . . 40 GLY C . 11399 1 409 . 1 1 40 40 GLY CA C 13 45.229 0.300 . 1 . . . . 40 GLY CA . 11399 1 410 . 1 1 40 40 GLY N N 15 106.516 0.300 . 1 . . . . 40 GLY N . 11399 1 411 . 1 1 41 41 LYS H H 1 7.995 0.030 . 1 . . . . 41 LYS H . 11399 1 412 . 1 1 41 41 LYS HA H 1 4.182 0.030 . 1 . . . . 41 LYS HA . 11399 1 413 . 1 1 41 41 LYS HB2 H 1 1.667 0.030 . 1 . . . . 41 LYS HB2 . 11399 1 414 . 1 1 41 41 LYS HB3 H 1 1.667 0.030 . 1 . . . . 41 LYS HB3 . 11399 1 415 . 1 1 41 41 LYS HD2 H 1 1.615 0.030 . 1 . . . . 41 LYS HD2 . 11399 1 416 . 1 1 41 41 LYS HD3 H 1 1.615 0.030 . 1 . . . . 41 LYS HD3 . 11399 1 417 . 1 1 41 41 LYS HE2 H 1 2.933 0.030 . 1 . . . . 41 LYS HE2 . 11399 1 418 . 1 1 41 41 LYS HE3 H 1 2.933 0.030 . 1 . . . . 41 LYS HE3 . 11399 1 419 . 1 1 41 41 LYS HG2 H 1 1.464 0.030 . 2 . . . . 41 LYS HG2 . 11399 1 420 . 1 1 41 41 LYS HG3 H 1 1.224 0.030 . 2 . . . . 41 LYS HG3 . 11399 1 421 . 1 1 41 41 LYS C C 13 175.946 0.300 . 1 . . . . 41 LYS C . 11399 1 422 . 1 1 41 41 LYS CA C 13 56.388 0.300 . 1 . . . . 41 LYS CA . 11399 1 423 . 1 1 41 41 LYS CB C 13 33.102 0.300 . 1 . . . . 41 LYS CB . 11399 1 424 . 1 1 41 41 LYS CD C 13 29.131 0.300 . 1 . . . . 41 LYS CD . 11399 1 425 . 1 1 41 41 LYS CE C 13 42.213 0.300 . 1 . . . . 41 LYS CE . 11399 1 426 . 1 1 41 41 LYS CG C 13 25.086 0.300 . 1 . . . . 41 LYS CG . 11399 1 427 . 1 1 41 41 LYS N N 15 117.411 0.300 . 1 . . . . 41 LYS N . 11399 1 428 . 1 1 42 42 VAL H H 1 8.025 0.030 . 1 . . . . 42 VAL H . 11399 1 429 . 1 1 42 42 VAL HA H 1 4.537 0.030 . 1 . . . . 42 VAL HA . 11399 1 430 . 1 1 42 42 VAL HB H 1 1.989 0.030 . 1 . . . . 42 VAL HB . 11399 1 431 . 1 1 42 42 VAL HG11 H 1 1.102 0.030 . 1 . . . . 42 VAL HG1 . 11399 1 432 . 1 1 42 42 VAL HG12 H 1 1.102 0.030 . 1 . . . . 42 VAL HG1 . 11399 1 433 . 1 1 42 42 VAL HG13 H 1 1.102 0.030 . 1 . . . . 42 VAL HG1 . 11399 1 434 . 1 1 42 42 VAL HG21 H 1 0.988 0.030 . 1 . . . . 42 VAL HG2 . 11399 1 435 . 1 1 42 42 VAL HG22 H 1 0.988 0.030 . 1 . . . . 42 VAL HG2 . 11399 1 436 . 1 1 42 42 VAL HG23 H 1 0.988 0.030 . 1 . . . . 42 VAL HG2 . 11399 1 437 . 1 1 42 42 VAL C C 13 177.043 0.300 . 1 . . . . 42 VAL C . 11399 1 438 . 1 1 42 42 VAL CA C 13 62.077 0.300 . 1 . . . . 42 VAL CA . 11399 1 439 . 1 1 42 42 VAL CB C 13 32.465 0.300 . 1 . . . . 42 VAL CB . 11399 1 440 . 1 1 42 42 VAL CG1 C 13 21.266 0.300 . 2 . . . . 42 VAL CG1 . 11399 1 441 . 1 1 42 42 VAL CG2 C 13 21.841 0.300 . 2 . . . . 42 VAL CG2 . 11399 1 442 . 1 1 42 42 VAL N N 15 126.015 0.300 . 1 . . . . 42 VAL N . 11399 1 443 . 1 1 43 43 THR H H 1 8.979 0.030 . 1 . . . . 43 THR H . 11399 1 444 . 1 1 43 43 THR HA H 1 4.258 0.030 . 1 . . . . 43 THR HA . 11399 1 445 . 1 1 43 43 THR HB H 1 4.186 0.030 . 1 . . . . 43 THR HB . 11399 1 446 . 1 1 43 43 THR HG21 H 1 0.999 0.030 . 1 . . . . 43 THR HG2 . 11399 1 447 . 1 1 43 43 THR HG22 H 1 0.999 0.030 . 1 . . . . 43 THR HG2 . 11399 1 448 . 1 1 43 43 THR HG23 H 1 0.999 0.030 . 1 . . . . 43 THR HG2 . 11399 1 449 . 1 1 43 43 THR C C 13 175.499 0.300 . 1 . . . . 43 THR C . 11399 1 450 . 1 1 43 43 THR CA C 13 62.619 0.300 . 1 . . . . 43 THR CA . 11399 1 451 . 1 1 43 43 THR CB C 13 68.241 0.300 . 1 . . . . 43 THR CB . 11399 1 452 . 1 1 43 43 THR CG2 C 13 22.994 0.300 . 1 . . . . 43 THR CG2 . 11399 1 453 . 1 1 43 43 THR N N 15 119.810 0.300 . 1 . . . . 43 THR N . 11399 1 454 . 1 1 44 44 ASN H H 1 7.867 0.030 . 1 . . . . 44 ASN H . 11399 1 455 . 1 1 44 44 ASN HA H 1 4.862 0.030 . 1 . . . . 44 ASN HA . 11399 1 456 . 1 1 44 44 ASN HB2 H 1 2.845 0.030 . 2 . . . . 44 ASN HB2 . 11399 1 457 . 1 1 44 44 ASN HB3 H 1 2.332 0.030 . 2 . . . . 44 ASN HB3 . 11399 1 458 . 1 1 44 44 ASN HD21 H 1 7.926 0.030 . 2 . . . . 44 ASN HD21 . 11399 1 459 . 1 1 44 44 ASN HD22 H 1 6.719 0.030 . 2 . . . . 44 ASN HD22 . 11399 1 460 . 1 1 44 44 ASN C C 13 172.273 0.300 . 1 . . . . 44 ASN C . 11399 1 461 . 1 1 44 44 ASN CA C 13 53.050 0.300 . 1 . . . . 44 ASN CA . 11399 1 462 . 1 1 44 44 ASN CB C 13 42.670 0.300 . 1 . . . . 44 ASN CB . 11399 1 463 . 1 1 44 44 ASN N N 15 118.496 0.300 . 1 . . . . 44 ASN N . 11399 1 464 . 1 1 44 44 ASN ND2 N 15 112.658 0.300 . 1 . . . . 44 ASN ND2 . 11399 1 465 . 1 1 45 45 ILE H H 1 8.524 0.030 . 1 . . . . 45 ILE H . 11399 1 466 . 1 1 45 45 ILE HA H 1 5.018 0.030 . 1 . . . . 45 ILE HA . 11399 1 467 . 1 1 45 45 ILE HB H 1 1.725 0.030 . 1 . . . . 45 ILE HB . 11399 1 468 . 1 1 45 45 ILE HD11 H 1 0.850 0.030 . 1 . . . . 45 ILE HD1 . 11399 1 469 . 1 1 45 45 ILE HD12 H 1 0.850 0.030 . 1 . . . . 45 ILE HD1 . 11399 1 470 . 1 1 45 45 ILE HD13 H 1 0.850 0.030 . 1 . . . . 45 ILE HD1 . 11399 1 471 . 1 1 45 45 ILE HG12 H 1 1.612 0.030 . 2 . . . . 45 ILE HG12 . 11399 1 472 . 1 1 45 45 ILE HG13 H 1 0.986 0.030 . 2 . . . . 45 ILE HG13 . 11399 1 473 . 1 1 45 45 ILE C C 13 171.820 0.300 . 1 . . . . 45 ILE C . 11399 1 474 . 1 1 45 45 ILE CA C 13 58.876 0.300 . 1 . . . . 45 ILE CA . 11399 1 475 . 1 1 45 45 ILE CB C 13 41.211 0.300 . 1 . . . . 45 ILE CB . 11399 1 476 . 1 1 45 45 ILE CD1 C 13 15.486 0.300 . 1 . . . . 45 ILE CD1 . 11399 1 477 . 1 1 45 45 ILE CG1 C 13 28.944 0.300 . 1 . . . . 45 ILE CG1 . 11399 1 478 . 1 1 45 45 ILE N N 15 118.094 0.300 . 1 . . . . 45 ILE N . 11399 1 479 . 1 1 46 46 LEU H H 1 8.794 0.030 . 1 . . . . 46 LEU H . 11399 1 480 . 1 1 46 46 LEU HA H 1 4.696 0.030 . 1 . . . . 46 LEU HA . 11399 1 481 . 1 1 46 46 LEU HB2 H 1 1.818 0.030 . 2 . . . . 46 LEU HB2 . 11399 1 482 . 1 1 46 46 LEU HB3 H 1 1.412 0.030 . 2 . . . . 46 LEU HB3 . 11399 1 483 . 1 1 46 46 LEU HD11 H 1 0.822 0.030 . 1 . . . . 46 LEU HD1 . 11399 1 484 . 1 1 46 46 LEU HD12 H 1 0.822 0.030 . 1 . . . . 46 LEU HD1 . 11399 1 485 . 1 1 46 46 LEU HD13 H 1 0.822 0.030 . 1 . . . . 46 LEU HD1 . 11399 1 486 . 1 1 46 46 LEU HD21 H 1 0.938 0.030 . 1 . . . . 46 LEU HD2 . 11399 1 487 . 1 1 46 46 LEU HD22 H 1 0.938 0.030 . 1 . . . . 46 LEU HD2 . 11399 1 488 . 1 1 46 46 LEU HD23 H 1 0.938 0.030 . 1 . . . . 46 LEU HD2 . 11399 1 489 . 1 1 46 46 LEU HG H 1 1.429 0.030 . 1 . . . . 46 LEU HG . 11399 1 490 . 1 1 46 46 LEU C C 13 175.122 0.300 . 1 . . . . 46 LEU C . 11399 1 491 . 1 1 46 46 LEU CA C 13 54.162 0.300 . 1 . . . . 46 LEU CA . 11399 1 492 . 1 1 46 46 LEU CB C 13 45.847 0.300 . 1 . . . . 46 LEU CB . 11399 1 493 . 1 1 46 46 LEU CD1 C 13 25.589 0.300 . 2 . . . . 46 LEU CD1 . 11399 1 494 . 1 1 46 46 LEU CD2 C 13 23.584 0.300 . 2 . . . . 46 LEU CD2 . 11399 1 495 . 1 1 46 46 LEU CG C 13 27.585 0.300 . 1 . . . . 46 LEU CG . 11399 1 496 . 1 1 46 46 LEU N N 15 127.373 0.300 . 1 . . . . 46 LEU N . 11399 1 497 . 1 1 47 47 MET H H 1 9.166 0.030 . 1 . . . . 47 MET H . 11399 1 498 . 1 1 47 47 MET HA H 1 4.656 0.030 . 1 . . . . 47 MET HA . 11399 1 499 . 1 1 47 47 MET HB2 H 1 2.618 0.030 . 2 . . . . 47 MET HB2 . 11399 1 500 . 1 1 47 47 MET HB3 H 1 2.458 0.030 . 2 . . . . 47 MET HB3 . 11399 1 501 . 1 1 47 47 MET HE1 H 1 1.825 0.030 . 1 . . . . 47 MET HE . 11399 1 502 . 1 1 47 47 MET HE2 H 1 1.825 0.030 . 1 . . . . 47 MET HE . 11399 1 503 . 1 1 47 47 MET HE3 H 1 1.825 0.030 . 1 . . . . 47 MET HE . 11399 1 504 . 1 1 47 47 MET HG2 H 1 2.041 0.030 . 1 . . . . 47 MET HG2 . 11399 1 505 . 1 1 47 47 MET HG3 H 1 2.041 0.030 . 1 . . . . 47 MET HG3 . 11399 1 506 . 1 1 47 47 MET C C 13 175.499 0.300 . 1 . . . . 47 MET C . 11399 1 507 . 1 1 47 47 MET CA C 13 54.337 0.300 . 1 . . . . 47 MET CA . 11399 1 508 . 1 1 47 47 MET CB C 13 32.634 0.300 . 1 . . . . 47 MET CB . 11399 1 509 . 1 1 47 47 MET CE C 13 16.957 0.300 . 1 . . . . 47 MET CE . 11399 1 510 . 1 1 47 47 MET CG C 13 32.737 0.300 . 1 . . . . 47 MET CG . 11399 1 511 . 1 1 47 47 MET N N 15 126.179 0.300 . 1 . . . . 47 MET N . 11399 1 512 . 1 1 48 48 LEU H H 1 8.351 0.030 . 1 . . . . 48 LEU H . 11399 1 513 . 1 1 48 48 LEU HA H 1 4.652 0.030 . 1 . . . . 48 LEU HA . 11399 1 514 . 1 1 48 48 LEU HB2 H 1 1.562 0.030 . 2 . . . . 48 LEU HB2 . 11399 1 515 . 1 1 48 48 LEU HB3 H 1 1.371 0.030 . 2 . . . . 48 LEU HB3 . 11399 1 516 . 1 1 48 48 LEU HD11 H 1 0.751 0.030 . 1 . . . . 48 LEU HD1 . 11399 1 517 . 1 1 48 48 LEU HD12 H 1 0.751 0.030 . 1 . . . . 48 LEU HD1 . 11399 1 518 . 1 1 48 48 LEU HD13 H 1 0.751 0.030 . 1 . . . . 48 LEU HD1 . 11399 1 519 . 1 1 48 48 LEU HD21 H 1 0.825 0.030 . 1 . . . . 48 LEU HD2 . 11399 1 520 . 1 1 48 48 LEU HD22 H 1 0.825 0.030 . 1 . . . . 48 LEU HD2 . 11399 1 521 . 1 1 48 48 LEU HD23 H 1 0.825 0.030 . 1 . . . . 48 LEU HD2 . 11399 1 522 . 1 1 48 48 LEU HG H 1 1.449 0.030 . 1 . . . . 48 LEU HG . 11399 1 523 . 1 1 48 48 LEU C C 13 176.789 0.300 . 1 . . . . 48 LEU C . 11399 1 524 . 1 1 48 48 LEU CA C 13 53.549 0.300 . 1 . . . . 48 LEU CA . 11399 1 525 . 1 1 48 48 LEU CB C 13 40.646 0.300 . 1 . . . . 48 LEU CB . 11399 1 526 . 1 1 48 48 LEU CD1 C 13 25.442 0.300 . 2 . . . . 48 LEU CD1 . 11399 1 527 . 1 1 48 48 LEU CD2 C 13 23.950 0.300 . 2 . . . . 48 LEU CD2 . 11399 1 528 . 1 1 48 48 LEU CG C 13 27.311 0.300 . 1 . . . . 48 LEU CG . 11399 1 529 . 1 1 48 48 LEU N N 15 126.944 0.300 . 1 . . . . 48 LEU N . 11399 1 530 . 1 1 49 49 LYS H H 1 8.325 0.030 . 1 . . . . 49 LYS H . 11399 1 531 . 1 1 49 49 LYS HA H 1 4.055 0.030 . 1 . . . . 49 LYS HA . 11399 1 532 . 1 1 49 49 LYS HB2 H 1 1.811 0.030 . 1 . . . . 49 LYS HB2 . 11399 1 533 . 1 1 49 49 LYS HB3 H 1 1.811 0.030 . 1 . . . . 49 LYS HB3 . 11399 1 534 . 1 1 49 49 LYS HD2 H 1 1.715 0.030 . 1 . . . . 49 LYS HD2 . 11399 1 535 . 1 1 49 49 LYS HD3 H 1 1.715 0.030 . 1 . . . . 49 LYS HD3 . 11399 1 536 . 1 1 49 49 LYS HE2 H 1 2.999 0.030 . 1 . . . . 49 LYS HE2 . 11399 1 537 . 1 1 49 49 LYS HE3 H 1 2.999 0.030 . 1 . . . . 49 LYS HE3 . 11399 1 538 . 1 1 49 49 LYS HG2 H 1 1.516 0.030 . 2 . . . . 49 LYS HG2 . 11399 1 539 . 1 1 49 49 LYS HG3 H 1 1.405 0.030 . 2 . . . . 49 LYS HG3 . 11399 1 540 . 1 1 49 49 LYS C C 13 178.906 0.300 . 1 . . . . 49 LYS C . 11399 1 541 . 1 1 49 49 LYS CA C 13 59.168 0.300 . 1 . . . . 49 LYS CA . 11399 1 542 . 1 1 49 49 LYS CB C 13 32.101 0.300 . 1 . . . . 49 LYS CB . 11399 1 543 . 1 1 49 49 LYS CD C 13 29.149 0.300 . 1 . . . . 49 LYS CD . 11399 1 544 . 1 1 49 49 LYS CE C 13 42.063 0.300 . 1 . . . . 49 LYS CE . 11399 1 545 . 1 1 49 49 LYS CG C 13 25.145 0.300 . 1 . . . . 49 LYS CG . 11399 1 546 . 1 1 49 49 LYS N N 15 125.024 0.300 . 1 . . . . 49 LYS N . 11399 1 547 . 1 1 50 50 GLY HA2 H 1 4.058 0.030 . 2 . . . . 50 GLY HA2 . 11399 1 548 . 1 1 50 50 GLY HA3 H 1 3.862 0.030 . 2 . . . . 50 GLY HA3 . 11399 1 549 . 1 1 50 50 GLY C C 13 174.422 0.300 . 1 . . . . 50 GLY C . 11399 1 550 . 1 1 50 50 GLY CA C 13 45.836 0.300 . 1 . . . . 50 GLY CA . 11399 1 551 . 1 1 51 51 LYS H H 1 7.506 0.030 . 1 . . . . 51 LYS H . 11399 1 552 . 1 1 51 51 LYS HA H 1 4.612 0.030 . 1 . . . . 51 LYS HA . 11399 1 553 . 1 1 51 51 LYS HB2 H 1 1.985 0.030 . 2 . . . . 51 LYS HB2 . 11399 1 554 . 1 1 51 51 LYS HB3 H 1 1.520 0.030 . 2 . . . . 51 LYS HB3 . 11399 1 555 . 1 1 51 51 LYS HD2 H 1 1.596 0.030 . 1 . . . . 51 LYS HD2 . 11399 1 556 . 1 1 51 51 LYS HD3 H 1 1.596 0.030 . 1 . . . . 51 LYS HD3 . 11399 1 557 . 1 1 51 51 LYS HE2 H 1 2.971 0.030 . 1 . . . . 51 LYS HE2 . 11399 1 558 . 1 1 51 51 LYS HE3 H 1 2.971 0.030 . 1 . . . . 51 LYS HE3 . 11399 1 559 . 1 1 51 51 LYS HG2 H 1 1.361 0.030 . 2 . . . . 51 LYS HG2 . 11399 1 560 . 1 1 51 51 LYS HG3 H 1 1.297 0.030 . 2 . . . . 51 LYS HG3 . 11399 1 561 . 1 1 51 51 LYS C C 13 176.074 0.300 . 1 . . . . 51 LYS C . 11399 1 562 . 1 1 51 51 LYS CA C 13 54.764 0.300 . 1 . . . . 51 LYS CA . 11399 1 563 . 1 1 51 51 LYS CB C 13 33.883 0.300 . 1 . . . . 51 LYS CB . 11399 1 564 . 1 1 51 51 LYS CD C 13 28.945 0.300 . 1 . . . . 51 LYS CD . 11399 1 565 . 1 1 51 51 LYS CE C 13 42.192 0.300 . 1 . . . . 51 LYS CE . 11399 1 566 . 1 1 51 51 LYS CG C 13 24.882 0.300 . 1 . . . . 51 LYS CG . 11399 1 567 . 1 1 51 51 LYS N N 15 116.253 0.300 . 1 . . . . 51 LYS N . 11399 1 568 . 1 1 52 52 ASN H H 1 8.440 0.030 . 1 . . . . 52 ASN H . 11399 1 569 . 1 1 52 52 ASN HA H 1 4.423 0.030 . 1 . . . . 52 ASN HA . 11399 1 570 . 1 1 52 52 ASN HB2 H 1 3.281 0.030 . 2 . . . . 52 ASN HB2 . 11399 1 571 . 1 1 52 52 ASN HB3 H 1 2.923 0.030 . 2 . . . . 52 ASN HB3 . 11399 1 572 . 1 1 52 52 ASN HD21 H 1 7.502 0.030 . 2 . . . . 52 ASN HD21 . 11399 1 573 . 1 1 52 52 ASN HD22 H 1 6.808 0.030 . 2 . . . . 52 ASN HD22 . 11399 1 574 . 1 1 52 52 ASN C C 13 174.052 0.300 . 1 . . . . 52 ASN C . 11399 1 575 . 1 1 52 52 ASN CA C 13 54.518 0.300 . 1 . . . . 52 ASN CA . 11399 1 576 . 1 1 52 52 ASN CB C 13 36.413 0.300 . 1 . . . . 52 ASN CB . 11399 1 577 . 1 1 52 52 ASN N N 15 116.844 0.300 . 1 . . . . 52 ASN N . 11399 1 578 . 1 1 52 52 ASN ND2 N 15 111.639 0.300 . 1 . . . . 52 ASN ND2 . 11399 1 579 . 1 1 53 53 GLN H H 1 7.293 0.030 . 1 . . . . 53 GLN H . 11399 1 580 . 1 1 53 53 GLN HA H 1 5.284 0.030 . 1 . . . . 53 GLN HA . 11399 1 581 . 1 1 53 53 GLN HB2 H 1 2.032 0.030 . 2 . . . . 53 GLN HB2 . 11399 1 582 . 1 1 53 53 GLN HB3 H 1 1.674 0.030 . 2 . . . . 53 GLN HB3 . 11399 1 583 . 1 1 53 53 GLN HG2 H 1 2.580 0.030 . 2 . . . . 53 GLN HG2 . 11399 1 584 . 1 1 53 53 GLN HG3 H 1 2.364 0.030 . 2 . . . . 53 GLN HG3 . 11399 1 585 . 1 1 53 53 GLN C C 13 174.192 0.300 . 1 . . . . 53 GLN C . 11399 1 586 . 1 1 53 53 GLN CA C 13 53.548 0.300 . 1 . . . . 53 GLN CA . 11399 1 587 . 1 1 53 53 GLN CB C 13 35.747 0.300 . 1 . . . . 53 GLN CB . 11399 1 588 . 1 1 53 53 GLN CG C 13 34.052 0.300 . 1 . . . . 53 GLN CG . 11399 1 589 . 1 1 53 53 GLN N N 15 112.697 0.300 . 1 . . . . 53 GLN N . 11399 1 590 . 1 1 54 54 ALA H H 1 8.924 0.030 . 1 . . . . 54 ALA H . 11399 1 591 . 1 1 54 54 ALA HA H 1 5.055 0.030 . 1 . . . . 54 ALA HA . 11399 1 592 . 1 1 54 54 ALA HB1 H 1 1.269 0.030 . 1 . . . . 54 ALA HB . 11399 1 593 . 1 1 54 54 ALA HB2 H 1 1.269 0.030 . 1 . . . . 54 ALA HB . 11399 1 594 . 1 1 54 54 ALA HB3 H 1 1.269 0.030 . 1 . . . . 54 ALA HB . 11399 1 595 . 1 1 54 54 ALA C C 13 174.783 0.300 . 1 . . . . 54 ALA C . 11399 1 596 . 1 1 54 54 ALA CA C 13 51.146 0.300 . 1 . . . . 54 ALA CA . 11399 1 597 . 1 1 54 54 ALA CB C 13 24.177 0.300 . 1 . . . . 54 ALA CB . 11399 1 598 . 1 1 54 54 ALA N N 15 119.745 0.300 . 1 . . . . 54 ALA N . 11399 1 599 . 1 1 55 55 PHE H H 1 9.112 0.030 . 1 . . . . 55 PHE H . 11399 1 600 . 1 1 55 55 PHE HA H 1 5.759 0.030 . 1 . . . . 55 PHE HA . 11399 1 601 . 1 1 55 55 PHE HB2 H 1 2.746 0.030 . 1 . . . . 55 PHE HB2 . 11399 1 602 . 1 1 55 55 PHE HB3 H 1 2.746 0.030 . 1 . . . . 55 PHE HB3 . 11399 1 603 . 1 1 55 55 PHE HD1 H 1 7.008 0.030 . 1 . . . . 55 PHE HD1 . 11399 1 604 . 1 1 55 55 PHE HD2 H 1 7.008 0.030 . 1 . . . . 55 PHE HD2 . 11399 1 605 . 1 1 55 55 PHE HE1 H 1 6.905 0.030 . 1 . . . . 55 PHE HE1 . 11399 1 606 . 1 1 55 55 PHE HE2 H 1 6.905 0.030 . 1 . . . . 55 PHE HE2 . 11399 1 607 . 1 1 55 55 PHE HZ H 1 6.895 0.030 . 1 . . . . 55 PHE HZ . 11399 1 608 . 1 1 55 55 PHE C C 13 173.933 0.300 . 1 . . . . 55 PHE C . 11399 1 609 . 1 1 55 55 PHE CA C 13 56.004 0.300 . 1 . . . . 55 PHE CA . 11399 1 610 . 1 1 55 55 PHE CB C 13 42.205 0.300 . 1 . . . . 55 PHE CB . 11399 1 611 . 1 1 55 55 PHE CD1 C 13 130.667 0.300 . 1 . . . . 55 PHE CD1 . 11399 1 612 . 1 1 55 55 PHE CD2 C 13 130.667 0.300 . 1 . . . . 55 PHE CD2 . 11399 1 613 . 1 1 55 55 PHE CE1 C 13 130.899 0.300 . 1 . . . . 55 PHE CE1 . 11399 1 614 . 1 1 55 55 PHE CE2 C 13 130.899 0.300 . 1 . . . . 55 PHE CE2 . 11399 1 615 . 1 1 55 55 PHE CZ C 13 129.170 0.300 . 1 . . . . 55 PHE CZ . 11399 1 616 . 1 1 55 55 PHE N N 15 117.642 0.300 . 1 . . . . 55 PHE N . 11399 1 617 . 1 1 56 56 LEU H H 1 9.143 0.030 . 1 . . . . 56 LEU H . 11399 1 618 . 1 1 56 56 LEU HA H 1 4.803 0.030 . 1 . . . . 56 LEU HA . 11399 1 619 . 1 1 56 56 LEU HB2 H 1 1.757 0.030 . 2 . . . . 56 LEU HB2 . 11399 1 620 . 1 1 56 56 LEU HB3 H 1 1.071 0.030 . 2 . . . . 56 LEU HB3 . 11399 1 621 . 1 1 56 56 LEU HD11 H 1 0.966 0.030 . 1 . . . . 56 LEU HD1 . 11399 1 622 . 1 1 56 56 LEU HD12 H 1 0.966 0.030 . 1 . . . . 56 LEU HD1 . 11399 1 623 . 1 1 56 56 LEU HD13 H 1 0.966 0.030 . 1 . . . . 56 LEU HD1 . 11399 1 624 . 1 1 56 56 LEU HD21 H 1 0.809 0.030 . 1 . . . . 56 LEU HD2 . 11399 1 625 . 1 1 56 56 LEU HD22 H 1 0.809 0.030 . 1 . . . . 56 LEU HD2 . 11399 1 626 . 1 1 56 56 LEU HD23 H 1 0.809 0.030 . 1 . . . . 56 LEU HD2 . 11399 1 627 . 1 1 56 56 LEU HG H 1 1.501 0.030 . 1 . . . . 56 LEU HG . 11399 1 628 . 1 1 56 56 LEU C C 13 172.785 0.300 . 1 . . . . 56 LEU C . 11399 1 629 . 1 1 56 56 LEU CA C 13 53.572 0.300 . 1 . . . . 56 LEU CA . 11399 1 630 . 1 1 56 56 LEU CB C 13 47.446 0.300 . 1 . . . . 56 LEU CB . 11399 1 631 . 1 1 56 56 LEU CD1 C 13 26.261 0.300 . 2 . . . . 56 LEU CD1 . 11399 1 632 . 1 1 56 56 LEU CD2 C 13 26.290 0.300 . 2 . . . . 56 LEU CD2 . 11399 1 633 . 1 1 56 56 LEU CG C 13 27.321 0.300 . 1 . . . . 56 LEU CG . 11399 1 634 . 1 1 56 56 LEU N N 15 124.907 0.300 . 1 . . . . 56 LEU N . 11399 1 635 . 1 1 57 57 GLU H H 1 8.781 0.030 . 1 . . . . 57 GLU H . 11399 1 636 . 1 1 57 57 GLU HA H 1 5.215 0.030 . 1 . . . . 57 GLU HA . 11399 1 637 . 1 1 57 57 GLU HB2 H 1 2.151 0.030 . 2 . . . . 57 GLU HB2 . 11399 1 638 . 1 1 57 57 GLU HB3 H 1 1.536 0.030 . 2 . . . . 57 GLU HB3 . 11399 1 639 . 1 1 57 57 GLU HG2 H 1 2.117 0.030 . 2 . . . . 57 GLU HG2 . 11399 1 640 . 1 1 57 57 GLU HG3 H 1 1.884 0.030 . 2 . . . . 57 GLU HG3 . 11399 1 641 . 1 1 57 57 GLU C C 13 174.541 0.300 . 1 . . . . 57 GLU C . 11399 1 642 . 1 1 57 57 GLU CA C 13 54.748 0.300 . 1 . . . . 57 GLU CA . 11399 1 643 . 1 1 57 57 GLU CB C 13 34.115 0.300 . 1 . . . . 57 GLU CB . 11399 1 644 . 1 1 57 57 GLU CG C 13 37.618 0.300 . 1 . . . . 57 GLU CG . 11399 1 645 . 1 1 57 57 GLU N N 15 128.323 0.300 . 1 . . . . 57 GLU N . 11399 1 646 . 1 1 58 58 LEU H H 1 8.804 0.030 . 1 . . . . 58 LEU H . 11399 1 647 . 1 1 58 58 LEU HA H 1 5.277 0.030 . 1 . . . . 58 LEU HA . 11399 1 648 . 1 1 58 58 LEU HB2 H 1 1.930 0.030 . 2 . . . . 58 LEU HB2 . 11399 1 649 . 1 1 58 58 LEU HB3 H 1 1.786 0.030 . 2 . . . . 58 LEU HB3 . 11399 1 650 . 1 1 58 58 LEU HD11 H 1 0.898 0.030 . 1 . . . . 58 LEU HD1 . 11399 1 651 . 1 1 58 58 LEU HD12 H 1 0.898 0.030 . 1 . . . . 58 LEU HD1 . 11399 1 652 . 1 1 58 58 LEU HD13 H 1 0.898 0.030 . 1 . . . . 58 LEU HD1 . 11399 1 653 . 1 1 58 58 LEU HD21 H 1 0.858 0.030 . 1 . . . . 58 LEU HD2 . 11399 1 654 . 1 1 58 58 LEU HD22 H 1 0.858 0.030 . 1 . . . . 58 LEU HD2 . 11399 1 655 . 1 1 58 58 LEU HD23 H 1 0.858 0.030 . 1 . . . . 58 LEU HD2 . 11399 1 656 . 1 1 58 58 LEU HG H 1 1.684 0.030 . 1 . . . . 58 LEU HG . 11399 1 657 . 1 1 58 58 LEU C C 13 178.759 0.300 . 1 . . . . 58 LEU C . 11399 1 658 . 1 1 58 58 LEU CA C 13 53.139 0.300 . 1 . . . . 58 LEU CA . 11399 1 659 . 1 1 58 58 LEU CB C 13 44.344 0.300 . 1 . . . . 58 LEU CB . 11399 1 660 . 1 1 58 58 LEU CD1 C 13 25.248 0.300 . 2 . . . . 58 LEU CD1 . 11399 1 661 . 1 1 58 58 LEU CD2 C 13 24.622 0.300 . 2 . . . . 58 LEU CD2 . 11399 1 662 . 1 1 58 58 LEU CG C 13 29.384 0.300 . 1 . . . . 58 LEU CG . 11399 1 663 . 1 1 58 58 LEU N N 15 128.074 0.300 . 1 . . . . 58 LEU N . 11399 1 664 . 1 1 59 59 ALA H H 1 8.547 0.030 . 1 . . . . 59 ALA H . 11399 1 665 . 1 1 59 59 ALA HA H 1 3.993 0.030 . 1 . . . . 59 ALA HA . 11399 1 666 . 1 1 59 59 ALA HB1 H 1 1.534 0.030 . 1 . . . . 59 ALA HB . 11399 1 667 . 1 1 59 59 ALA HB2 H 1 1.534 0.030 . 1 . . . . 59 ALA HB . 11399 1 668 . 1 1 59 59 ALA HB3 H 1 1.534 0.030 . 1 . . . . 59 ALA HB . 11399 1 669 . 1 1 59 59 ALA C C 13 177.757 0.300 . 1 . . . . 59 ALA C . 11399 1 670 . 1 1 59 59 ALA CA C 13 55.035 0.300 . 1 . . . . 59 ALA CA . 11399 1 671 . 1 1 59 59 ALA CB C 13 20.195 0.300 . 1 . . . . 59 ALA CB . 11399 1 672 . 1 1 59 59 ALA N N 15 118.373 0.300 . 1 . . . . 59 ALA N . 11399 1 673 . 1 1 60 60 THR H H 1 7.188 0.030 . 1 . . . . 60 THR H . 11399 1 674 . 1 1 60 60 THR HA H 1 4.716 0.030 . 1 . . . . 60 THR HA . 11399 1 675 . 1 1 60 60 THR HB H 1 4.671 0.030 . 1 . . . . 60 THR HB . 11399 1 676 . 1 1 60 60 THR HG21 H 1 1.250 0.030 . 1 . . . . 60 THR HG2 . 11399 1 677 . 1 1 60 60 THR HG22 H 1 1.250 0.030 . 1 . . . . 60 THR HG2 . 11399 1 678 . 1 1 60 60 THR HG23 H 1 1.250 0.030 . 1 . . . . 60 THR HG2 . 11399 1 679 . 1 1 60 60 THR C C 13 173.785 0.300 . 1 . . . . 60 THR C . 11399 1 680 . 1 1 60 60 THR CA C 13 58.100 0.300 . 1 . . . . 60 THR CA . 11399 1 681 . 1 1 60 60 THR CB C 13 72.617 0.300 . 1 . . . . 60 THR CB . 11399 1 682 . 1 1 60 60 THR CG2 C 13 21.905 0.300 . 1 . . . . 60 THR CG2 . 11399 1 683 . 1 1 60 60 THR N N 15 100.267 0.300 . 1 . . . . 60 THR N . 11399 1 684 . 1 1 61 61 GLU H H 1 9.148 0.030 . 1 . . . . 61 GLU H . 11399 1 685 . 1 1 61 61 GLU HA H 1 3.740 0.030 . 1 . . . . 61 GLU HA . 11399 1 686 . 1 1 61 61 GLU HB2 H 1 2.036 0.030 . 2 . . . . 61 GLU HB2 . 11399 1 687 . 1 1 61 61 GLU HB3 H 1 1.902 0.030 . 2 . . . . 61 GLU HB3 . 11399 1 688 . 1 1 61 61 GLU HG2 H 1 2.143 0.030 . 2 . . . . 61 GLU HG2 . 11399 1 689 . 1 1 61 61 GLU HG3 H 1 2.029 0.030 . 2 . . . . 61 GLU HG3 . 11399 1 690 . 1 1 61 61 GLU C C 13 177.588 0.300 . 1 . . . . 61 GLU C . 11399 1 691 . 1 1 61 61 GLU CA C 13 59.974 0.300 . 1 . . . . 61 GLU CA . 11399 1 692 . 1 1 61 61 GLU CB C 13 29.966 0.300 . 1 . . . . 61 GLU CB . 11399 1 693 . 1 1 61 61 GLU CG C 13 37.610 0.300 . 1 . . . . 61 GLU CG . 11399 1 694 . 1 1 61 61 GLU N N 15 123.134 0.300 . 1 . . . . 61 GLU N . 11399 1 695 . 1 1 62 62 GLU H H 1 8.790 0.030 . 1 . . . . 62 GLU H . 11399 1 696 . 1 1 62 62 GLU HA H 1 3.946 0.030 . 1 . . . . 62 GLU HA . 11399 1 697 . 1 1 62 62 GLU HB2 H 1 2.121 0.030 . 2 . . . . 62 GLU HB2 . 11399 1 698 . 1 1 62 62 GLU HB3 H 1 1.976 0.030 . 2 . . . . 62 GLU HB3 . 11399 1 699 . 1 1 62 62 GLU HG2 H 1 2.385 0.030 . 2 . . . . 62 GLU HG2 . 11399 1 700 . 1 1 62 62 GLU HG3 H 1 2.297 0.030 . 2 . . . . 62 GLU HG3 . 11399 1 701 . 1 1 62 62 GLU C C 13 179.013 0.300 . 1 . . . . 62 GLU C . 11399 1 702 . 1 1 62 62 GLU CA C 13 60.500 0.300 . 1 . . . . 62 GLU CA . 11399 1 703 . 1 1 62 62 GLU CB C 13 29.073 0.300 . 1 . . . . 62 GLU CB . 11399 1 704 . 1 1 62 62 GLU CG C 13 36.758 0.300 . 1 . . . . 62 GLU CG . 11399 1 705 . 1 1 62 62 GLU N N 15 117.523 0.300 . 1 . . . . 62 GLU N . 11399 1 706 . 1 1 63 63 ALA H H 1 7.956 0.030 . 1 . . . . 63 ALA H . 11399 1 707 . 1 1 63 63 ALA HA H 1 4.172 0.030 . 1 . . . . 63 ALA HA . 11399 1 708 . 1 1 63 63 ALA HB1 H 1 1.483 0.030 . 1 . . . . 63 ALA HB . 11399 1 709 . 1 1 63 63 ALA HB2 H 1 1.483 0.030 . 1 . . . . 63 ALA HB . 11399 1 710 . 1 1 63 63 ALA HB3 H 1 1.483 0.030 . 1 . . . . 63 ALA HB . 11399 1 711 . 1 1 63 63 ALA C C 13 178.544 0.300 . 1 . . . . 63 ALA C . 11399 1 712 . 1 1 63 63 ALA CA C 13 55.112 0.300 . 1 . . . . 63 ALA CA . 11399 1 713 . 1 1 63 63 ALA CB C 13 19.668 0.300 . 1 . . . . 63 ALA CB . 11399 1 714 . 1 1 63 63 ALA N N 15 122.801 0.300 . 1 . . . . 63 ALA N . 11399 1 715 . 1 1 64 64 ALA H H 1 7.168 0.030 . 1 . . . . 64 ALA H . 11399 1 716 . 1 1 64 64 ALA HA H 1 3.937 0.030 . 1 . . . . 64 ALA HA . 11399 1 717 . 1 1 64 64 ALA HB1 H 1 1.801 0.030 . 1 . . . . 64 ALA HB . 11399 1 718 . 1 1 64 64 ALA HB2 H 1 1.801 0.030 . 1 . . . . 64 ALA HB . 11399 1 719 . 1 1 64 64 ALA HB3 H 1 1.801 0.030 . 1 . . . . 64 ALA HB . 11399 1 720 . 1 1 64 64 ALA C C 13 178.739 0.300 . 1 . . . . 64 ALA C . 11399 1 721 . 1 1 64 64 ALA CA C 13 55.777 0.300 . 1 . . . . 64 ALA CA . 11399 1 722 . 1 1 64 64 ALA CB C 13 20.032 0.300 . 1 . . . . 64 ALA CB . 11399 1 723 . 1 1 64 64 ALA N N 15 120.906 0.300 . 1 . . . . 64 ALA N . 11399 1 724 . 1 1 65 65 ILE H H 1 8.611 0.030 . 1 . . . . 65 ILE H . 11399 1 725 . 1 1 65 65 ILE HA H 1 4.531 0.030 . 1 . . . . 65 ILE HA . 11399 1 726 . 1 1 65 65 ILE HB H 1 1.796 0.030 . 1 . . . . 65 ILE HB . 11399 1 727 . 1 1 65 65 ILE HD11 H 1 0.769 0.030 . 1 . . . . 65 ILE HD1 . 11399 1 728 . 1 1 65 65 ILE HD12 H 1 0.769 0.030 . 1 . . . . 65 ILE HD1 . 11399 1 729 . 1 1 65 65 ILE HD13 H 1 0.769 0.030 . 1 . . . . 65 ILE HD1 . 11399 1 730 . 1 1 65 65 ILE HG12 H 1 1.798 0.030 . 2 . . . . 65 ILE HG12 . 11399 1 731 . 1 1 65 65 ILE HG13 H 1 1.209 0.030 . 2 . . . . 65 ILE HG13 . 11399 1 732 . 1 1 65 65 ILE HG21 H 1 0.884 0.030 . 1 . . . . 65 ILE HG2 . 11399 1 733 . 1 1 65 65 ILE HG22 H 1 0.884 0.030 . 1 . . . . 65 ILE HG2 . 11399 1 734 . 1 1 65 65 ILE HG23 H 1 0.884 0.030 . 1 . . . . 65 ILE HG2 . 11399 1 735 . 1 1 65 65 ILE C C 13 179.046 0.300 . 1 . . . . 65 ILE C . 11399 1 736 . 1 1 65 65 ILE CA C 13 63.995 0.300 . 1 . . . . 65 ILE CA . 11399 1 737 . 1 1 65 65 ILE CB C 13 39.307 0.300 . 1 . . . . 65 ILE CB . 11399 1 738 . 1 1 65 65 ILE CD1 C 13 14.244 0.300 . 1 . . . . 65 ILE CD1 . 11399 1 739 . 1 1 65 65 ILE CG1 C 13 28.527 0.300 . 1 . . . . 65 ILE CG1 . 11399 1 740 . 1 1 65 65 ILE CG2 C 13 17.102 0.300 . 1 . . . . 65 ILE CG2 . 11399 1 741 . 1 1 65 65 ILE N N 15 118.945 0.300 . 1 . . . . 65 ILE N . 11399 1 742 . 1 1 66 66 THR H H 1 8.040 0.030 . 1 . . . . 66 THR H . 11399 1 743 . 1 1 66 66 THR HA H 1 3.858 0.030 . 1 . . . . 66 THR HA . 11399 1 744 . 1 1 66 66 THR HB H 1 4.440 0.030 . 1 . . . . 66 THR HB . 11399 1 745 . 1 1 66 66 THR HG21 H 1 1.441 0.030 . 1 . . . . 66 THR HG2 . 11399 1 746 . 1 1 66 66 THR HG22 H 1 1.441 0.030 . 1 . . . . 66 THR HG2 . 11399 1 747 . 1 1 66 66 THR HG23 H 1 1.441 0.030 . 1 . . . . 66 THR HG2 . 11399 1 748 . 1 1 66 66 THR C C 13 176.535 0.300 . 1 . . . . 66 THR C . 11399 1 749 . 1 1 66 66 THR CA C 13 66.897 0.300 . 1 . . . . 66 THR CA . 11399 1 750 . 1 1 66 66 THR CB C 13 68.555 0.300 . 1 . . . . 66 THR CB . 11399 1 751 . 1 1 66 66 THR CG2 C 13 22.318 0.300 . 1 . . . . 66 THR CG2 . 11399 1 752 . 1 1 66 66 THR N N 15 115.915 0.300 . 1 . . . . 66 THR N . 11399 1 753 . 1 1 67 67 MET H H 1 7.971 0.030 . 1 . . . . 67 MET H . 11399 1 754 . 1 1 67 67 MET HA H 1 2.263 0.030 . 1 . . . . 67 MET HA . 11399 1 755 . 1 1 67 67 MET HB2 H 1 1.202 0.030 . 2 . . . . 67 MET HB2 . 11399 1 756 . 1 1 67 67 MET HB3 H 1 2.121 0.030 . 2 . . . . 67 MET HB3 . 11399 1 757 . 1 1 67 67 MET HE1 H 1 1.871 0.030 . 1 . . . . 67 MET HE . 11399 1 758 . 1 1 67 67 MET HE2 H 1 1.871 0.030 . 1 . . . . 67 MET HE . 11399 1 759 . 1 1 67 67 MET HE3 H 1 1.871 0.030 . 1 . . . . 67 MET HE . 11399 1 760 . 1 1 67 67 MET HG2 H 1 1.916 0.030 . 2 . . . . 67 MET HG2 . 11399 1 761 . 1 1 67 67 MET HG3 H 1 2.297 0.030 . 2 . . . . 67 MET HG3 . 11399 1 762 . 1 1 67 67 MET C C 13 176.841 0.300 . 1 . . . . 67 MET C . 11399 1 763 . 1 1 67 67 MET CA C 13 59.474 0.300 . 1 . . . . 67 MET CA . 11399 1 764 . 1 1 67 67 MET CB C 13 31.896 0.300 . 1 . . . . 67 MET CB . 11399 1 765 . 1 1 67 67 MET CE C 13 18.277 0.300 . 1 . . . . 67 MET CE . 11399 1 766 . 1 1 67 67 MET CG C 13 33.516 0.300 . 1 . . . . 67 MET CG . 11399 1 767 . 1 1 67 67 MET N N 15 123.216 0.300 . 1 . . . . 67 MET N . 11399 1 768 . 1 1 68 68 VAL H H 1 8.559 0.030 . 1 . . . . 68 VAL H . 11399 1 769 . 1 1 68 68 VAL HA H 1 3.278 0.030 . 1 . . . . 68 VAL HA . 11399 1 770 . 1 1 68 68 VAL HB H 1 2.000 0.030 . 1 . . . . 68 VAL HB . 11399 1 771 . 1 1 68 68 VAL HG11 H 1 0.410 0.030 . 1 . . . . 68 VAL HG1 . 11399 1 772 . 1 1 68 68 VAL HG12 H 1 0.410 0.030 . 1 . . . . 68 VAL HG1 . 11399 1 773 . 1 1 68 68 VAL HG13 H 1 0.410 0.030 . 1 . . . . 68 VAL HG1 . 11399 1 774 . 1 1 68 68 VAL HG21 H 1 0.493 0.030 . 1 . . . . 68 VAL HG2 . 11399 1 775 . 1 1 68 68 VAL HG22 H 1 0.493 0.030 . 1 . . . . 68 VAL HG2 . 11399 1 776 . 1 1 68 68 VAL HG23 H 1 0.493 0.030 . 1 . . . . 68 VAL HG2 . 11399 1 777 . 1 1 68 68 VAL C C 13 179.565 0.300 . 1 . . . . 68 VAL C . 11399 1 778 . 1 1 68 68 VAL CA C 13 67.477 0.300 . 1 . . . . 68 VAL CA . 11399 1 779 . 1 1 68 68 VAL CB C 13 30.929 0.300 . 1 . . . . 68 VAL CB . 11399 1 780 . 1 1 68 68 VAL CG1 C 13 25.791 0.300 . 2 . . . . 68 VAL CG1 . 11399 1 781 . 1 1 68 68 VAL CG2 C 13 20.738 0.300 . 2 . . . . 68 VAL CG2 . 11399 1 782 . 1 1 68 68 VAL N N 15 120.123 0.300 . 1 . . . . 68 VAL N . 11399 1 783 . 1 1 69 69 ASN H H 1 8.722 0.030 . 1 . . . . 69 ASN H . 11399 1 784 . 1 1 69 69 ASN HA H 1 4.360 0.030 . 1 . . . . 69 ASN HA . 11399 1 785 . 1 1 69 69 ASN HB2 H 1 2.944 0.030 . 2 . . . . 69 ASN HB2 . 11399 1 786 . 1 1 69 69 ASN HB3 H 1 2.743 0.030 . 2 . . . . 69 ASN HB3 . 11399 1 787 . 1 1 69 69 ASN HD21 H 1 7.635 0.030 . 2 . . . . 69 ASN HD21 . 11399 1 788 . 1 1 69 69 ASN HD22 H 1 6.920 0.030 . 2 . . . . 69 ASN HD22 . 11399 1 789 . 1 1 69 69 ASN C C 13 178.824 0.300 . 1 . . . . 69 ASN C . 11399 1 790 . 1 1 69 69 ASN CA C 13 56.174 0.300 . 1 . . . . 69 ASN CA . 11399 1 791 . 1 1 69 69 ASN CB C 13 37.440 0.300 . 1 . . . . 69 ASN CB . 11399 1 792 . 1 1 69 69 ASN N N 15 119.316 0.300 . 1 . . . . 69 ASN N . 11399 1 793 . 1 1 69 69 ASN ND2 N 15 112.197 0.300 . 1 . . . . 69 ASN ND2 . 11399 1 794 . 1 1 70 70 TYR H H 1 8.291 0.030 . 1 . . . . 70 TYR H . 11399 1 795 . 1 1 70 70 TYR HA H 1 4.083 0.030 . 1 . . . . 70 TYR HA . 11399 1 796 . 1 1 70 70 TYR HB2 H 1 2.660 0.030 . 2 . . . . 70 TYR HB2 . 11399 1 797 . 1 1 70 70 TYR HB3 H 1 3.011 0.030 . 2 . . . . 70 TYR HB3 . 11399 1 798 . 1 1 70 70 TYR HD1 H 1 6.303 0.030 . 1 . . . . 70 TYR HD1 . 11399 1 799 . 1 1 70 70 TYR HD2 H 1 6.303 0.030 . 1 . . . . 70 TYR HD2 . 11399 1 800 . 1 1 70 70 TYR HE1 H 1 6.652 0.030 . 1 . . . . 70 TYR HE1 . 11399 1 801 . 1 1 70 70 TYR HE2 H 1 6.652 0.030 . 1 . . . . 70 TYR HE2 . 11399 1 802 . 1 1 70 70 TYR C C 13 178.072 0.300 . 1 . . . . 70 TYR C . 11399 1 803 . 1 1 70 70 TYR CA C 13 62.289 0.300 . 1 . . . . 70 TYR CA . 11399 1 804 . 1 1 70 70 TYR CB C 13 38.673 0.300 . 1 . . . . 70 TYR CB . 11399 1 805 . 1 1 70 70 TYR CD1 C 13 133.399 0.300 . 1 . . . . 70 TYR CD1 . 11399 1 806 . 1 1 70 70 TYR CD2 C 13 133.399 0.300 . 1 . . . . 70 TYR CD2 . 11399 1 807 . 1 1 70 70 TYR CE1 C 13 117.944 0.300 . 1 . . . . 70 TYR CE1 . 11399 1 808 . 1 1 70 70 TYR CE2 C 13 117.944 0.300 . 1 . . . . 70 TYR CE2 . 11399 1 809 . 1 1 70 70 TYR N N 15 124.302 0.300 . 1 . . . . 70 TYR N . 11399 1 810 . 1 1 71 71 TYR H H 1 8.035 0.030 . 1 . . . . 71 TYR H . 11399 1 811 . 1 1 71 71 TYR HA H 1 5.245 0.030 . 1 . . . . 71 TYR HA . 11399 1 812 . 1 1 71 71 TYR HB2 H 1 3.366 0.030 . 2 . . . . 71 TYR HB2 . 11399 1 813 . 1 1 71 71 TYR HB3 H 1 2.645 0.030 . 2 . . . . 71 TYR HB3 . 11399 1 814 . 1 1 71 71 TYR HD1 H 1 7.250 0.030 . 1 . . . . 71 TYR HD1 . 11399 1 815 . 1 1 71 71 TYR HD2 H 1 7.250 0.030 . 1 . . . . 71 TYR HD2 . 11399 1 816 . 1 1 71 71 TYR HE1 H 1 6.987 0.030 . 1 . . . . 71 TYR HE1 . 11399 1 817 . 1 1 71 71 TYR HE2 H 1 6.987 0.030 . 1 . . . . 71 TYR HE2 . 11399 1 818 . 1 1 71 71 TYR C C 13 175.686 0.300 . 1 . . . . 71 TYR C . 11399 1 819 . 1 1 71 71 TYR CA C 13 59.521 0.300 . 1 . . . . 71 TYR CA . 11399 1 820 . 1 1 71 71 TYR CB C 13 37.021 0.300 . 1 . . . . 71 TYR CB . 11399 1 821 . 1 1 71 71 TYR CD1 C 13 133.718 0.300 . 1 . . . . 71 TYR CD1 . 11399 1 822 . 1 1 71 71 TYR CD2 C 13 133.718 0.300 . 1 . . . . 71 TYR CD2 . 11399 1 823 . 1 1 71 71 TYR CE1 C 13 117.391 0.300 . 1 . . . . 71 TYR CE1 . 11399 1 824 . 1 1 71 71 TYR CE2 C 13 117.391 0.300 . 1 . . . . 71 TYR CE2 . 11399 1 825 . 1 1 71 71 TYR N N 15 116.113 0.300 . 1 . . . . 71 TYR N . 11399 1 826 . 1 1 72 72 SER H H 1 7.644 0.030 . 1 . . . . 72 SER H . 11399 1 827 . 1 1 72 72 SER HA H 1 4.476 0.030 . 1 . . . . 72 SER HA . 11399 1 828 . 1 1 72 72 SER HB2 H 1 4.016 0.030 . 1 . . . . 72 SER HB2 . 11399 1 829 . 1 1 72 72 SER HB3 H 1 4.016 0.030 . 1 . . . . 72 SER HB3 . 11399 1 830 . 1 1 72 72 SER C C 13 174.414 0.300 . 1 . . . . 72 SER C . 11399 1 831 . 1 1 72 72 SER CA C 13 60.391 0.300 . 1 . . . . 72 SER CA . 11399 1 832 . 1 1 72 72 SER CB C 13 63.277 0.300 . 1 . . . . 72 SER CB . 11399 1 833 . 1 1 72 72 SER N N 15 114.382 0.300 . 1 . . . . 72 SER N . 11399 1 834 . 1 1 73 73 ALA H H 1 7.193 0.030 . 1 . . . . 73 ALA H . 11399 1 835 . 1 1 73 73 ALA HA H 1 4.472 0.030 . 1 . . . . 73 ALA HA . 11399 1 836 . 1 1 73 73 ALA HB1 H 1 1.382 0.030 . 1 . . . . 73 ALA HB . 11399 1 837 . 1 1 73 73 ALA HB2 H 1 1.382 0.030 . 1 . . . . 73 ALA HB . 11399 1 838 . 1 1 73 73 ALA HB3 H 1 1.382 0.030 . 1 . . . . 73 ALA HB . 11399 1 839 . 1 1 73 73 ALA C C 13 177.065 0.300 . 1 . . . . 73 ALA C . 11399 1 840 . 1 1 73 73 ALA CA C 13 52.740 0.300 . 1 . . . . 73 ALA CA . 11399 1 841 . 1 1 73 73 ALA CB C 13 20.370 0.300 . 1 . . . . 73 ALA CB . 11399 1 842 . 1 1 73 73 ALA N N 15 123.198 0.300 . 1 . . . . 73 ALA N . 11399 1 843 . 1 1 74 74 VAL H H 1 7.624 0.030 . 1 . . . . 74 VAL H . 11399 1 844 . 1 1 74 74 VAL HA H 1 4.077 0.030 . 1 . . . . 74 VAL HA . 11399 1 845 . 1 1 74 74 VAL HB H 1 1.548 0.030 . 1 . . . . 74 VAL HB . 11399 1 846 . 1 1 74 74 VAL HG11 H 1 0.853 0.030 . 1 . . . . 74 VAL HG1 . 11399 1 847 . 1 1 74 74 VAL HG12 H 1 0.853 0.030 . 1 . . . . 74 VAL HG1 . 11399 1 848 . 1 1 74 74 VAL HG13 H 1 0.853 0.030 . 1 . . . . 74 VAL HG1 . 11399 1 849 . 1 1 74 74 VAL HG21 H 1 0.534 0.030 . 1 . . . . 74 VAL HG2 . 11399 1 850 . 1 1 74 74 VAL HG22 H 1 0.534 0.030 . 1 . . . . 74 VAL HG2 . 11399 1 851 . 1 1 74 74 VAL HG23 H 1 0.534 0.030 . 1 . . . . 74 VAL HG2 . 11399 1 852 . 1 1 74 74 VAL C C 13 174.315 0.300 . 1 . . . . 74 VAL C . 11399 1 853 . 1 1 74 74 VAL CA C 13 60.876 0.300 . 1 . . . . 74 VAL CA . 11399 1 854 . 1 1 74 74 VAL CB C 13 33.135 0.300 . 1 . . . . 74 VAL CB . 11399 1 855 . 1 1 74 74 VAL CG1 C 13 21.106 0.300 . 2 . . . . 74 VAL CG1 . 11399 1 856 . 1 1 74 74 VAL CG2 C 13 20.276 0.300 . 2 . . . . 74 VAL CG2 . 11399 1 857 . 1 1 74 74 VAL N N 15 120.761 0.300 . 1 . . . . 74 VAL N . 11399 1 858 . 1 1 75 75 THR H H 1 8.137 0.030 . 1 . . . . 75 THR H . 11399 1 859 . 1 1 75 75 THR HA H 1 4.506 0.030 . 1 . . . . 75 THR HA . 11399 1 860 . 1 1 75 75 THR HB H 1 4.019 0.030 . 1 . . . . 75 THR HB . 11399 1 861 . 1 1 75 75 THR HG21 H 1 1.155 0.030 . 1 . . . . 75 THR HG2 . 11399 1 862 . 1 1 75 75 THR HG22 H 1 1.155 0.030 . 1 . . . . 75 THR HG2 . 11399 1 863 . 1 1 75 75 THR HG23 H 1 1.155 0.030 . 1 . . . . 75 THR HG2 . 11399 1 864 . 1 1 75 75 THR C C 13 173.396 0.300 . 1 . . . . 75 THR C . 11399 1 865 . 1 1 75 75 THR CA C 13 61.338 0.300 . 1 . . . . 75 THR CA . 11399 1 866 . 1 1 75 75 THR CB C 13 70.273 0.300 . 1 . . . . 75 THR CB . 11399 1 867 . 1 1 75 75 THR CG2 C 13 21.320 0.300 . 1 . . . . 75 THR CG2 . 11399 1 868 . 1 1 75 75 THR N N 15 121.224 0.300 . 1 . . . . 75 THR N . 11399 1 869 . 1 1 76 76 PRO HA H 1 4.566 0.030 . 1 . . . . 76 PRO HA . 11399 1 870 . 1 1 76 76 PRO HB2 H 1 1.241 0.030 . 2 . . . . 76 PRO HB2 . 11399 1 871 . 1 1 76 76 PRO HB3 H 1 1.127 0.030 . 2 . . . . 76 PRO HB3 . 11399 1 872 . 1 1 76 76 PRO HD2 H 1 4.361 0.030 . 2 . . . . 76 PRO HD2 . 11399 1 873 . 1 1 76 76 PRO HD3 H 1 4.014 0.030 . 2 . . . . 76 PRO HD3 . 11399 1 874 . 1 1 76 76 PRO HG2 H 1 2.012 0.030 . 2 . . . . 76 PRO HG2 . 11399 1 875 . 1 1 76 76 PRO HG3 H 1 1.456 0.030 . 2 . . . . 76 PRO HG3 . 11399 1 876 . 1 1 76 76 PRO C C 13 175.344 0.300 . 1 . . . . 76 PRO C . 11399 1 877 . 1 1 76 76 PRO CA C 13 62.395 0.300 . 1 . . . . 76 PRO CA . 11399 1 878 . 1 1 76 76 PRO CB C 13 30.616 0.300 . 1 . . . . 76 PRO CB . 11399 1 879 . 1 1 76 76 PRO CD C 13 50.698 0.300 . 1 . . . . 76 PRO CD . 11399 1 880 . 1 1 76 76 PRO CG C 13 25.804 0.300 . 1 . . . . 76 PRO CG . 11399 1 881 . 1 1 77 77 HIS H H 1 8.106 0.030 . 1 . . . . 77 HIS H . 11399 1 882 . 1 1 77 77 HIS HA H 1 5.258 0.030 . 1 . . . . 77 HIS HA . 11399 1 883 . 1 1 77 77 HIS HB2 H 1 2.719 0.030 . 2 . . . . 77 HIS HB2 . 11399 1 884 . 1 1 77 77 HIS HB3 H 1 2.580 0.030 . 2 . . . . 77 HIS HB3 . 11399 1 885 . 1 1 77 77 HIS HD2 H 1 6.380 0.030 . 1 . . . . 77 HIS HD2 . 11399 1 886 . 1 1 77 77 HIS HE1 H 1 7.602 0.030 . 1 . . . . 77 HIS HE1 . 11399 1 887 . 1 1 77 77 HIS C C 13 174.682 0.300 . 1 . . . . 77 HIS C . 11399 1 888 . 1 1 77 77 HIS CA C 13 54.798 0.300 . 1 . . . . 77 HIS CA . 11399 1 889 . 1 1 77 77 HIS CB C 13 34.143 0.300 . 1 . . . . 77 HIS CB . 11399 1 890 . 1 1 77 77 HIS CD2 C 13 122.919 0.300 . 1 . . . . 77 HIS CD2 . 11399 1 891 . 1 1 77 77 HIS CE1 C 13 138.557 0.300 . 1 . . . . 77 HIS CE1 . 11399 1 892 . 1 1 77 77 HIS N N 15 116.956 0.300 . 1 . . . . 77 HIS N . 11399 1 893 . 1 1 78 78 LEU H H 1 8.515 0.030 . 1 . . . . 78 LEU H . 11399 1 894 . 1 1 78 78 LEU HA H 1 4.522 0.030 . 1 . . . . 78 LEU HA . 11399 1 895 . 1 1 78 78 LEU HB2 H 1 1.331 0.030 . 2 . . . . 78 LEU HB2 . 11399 1 896 . 1 1 78 78 LEU HB3 H 1 1.193 0.030 . 2 . . . . 78 LEU HB3 . 11399 1 897 . 1 1 78 78 LEU HD11 H 1 0.941 0.030 . 1 . . . . 78 LEU HD1 . 11399 1 898 . 1 1 78 78 LEU HD12 H 1 0.941 0.030 . 1 . . . . 78 LEU HD1 . 11399 1 899 . 1 1 78 78 LEU HD13 H 1 0.941 0.030 . 1 . . . . 78 LEU HD1 . 11399 1 900 . 1 1 78 78 LEU HD21 H 1 0.769 0.030 . 1 . . . . 78 LEU HD2 . 11399 1 901 . 1 1 78 78 LEU HD22 H 1 0.769 0.030 . 1 . . . . 78 LEU HD2 . 11399 1 902 . 1 1 78 78 LEU HD23 H 1 0.769 0.030 . 1 . . . . 78 LEU HD2 . 11399 1 903 . 1 1 78 78 LEU HG H 1 1.517 0.030 . 1 . . . . 78 LEU HG . 11399 1 904 . 1 1 78 78 LEU C C 13 176.032 0.300 . 1 . . . . 78 LEU C . 11399 1 905 . 1 1 78 78 LEU CA C 13 54.261 0.300 . 1 . . . . 78 LEU CA . 11399 1 906 . 1 1 78 78 LEU CB C 13 46.993 0.300 . 1 . . . . 78 LEU CB . 11399 1 907 . 1 1 78 78 LEU CD1 C 13 24.776 0.300 . 2 . . . . 78 LEU CD1 . 11399 1 908 . 1 1 78 78 LEU CD2 C 13 27.143 0.300 . 2 . . . . 78 LEU CD2 . 11399 1 909 . 1 1 78 78 LEU CG C 13 27.020 0.300 . 1 . . . . 78 LEU CG . 11399 1 910 . 1 1 78 78 LEU N N 15 119.034 0.300 . 1 . . . . 78 LEU N . 11399 1 911 . 1 1 79 79 ARG H H 1 9.479 0.030 . 1 . . . . 79 ARG H . 11399 1 912 . 1 1 79 79 ARG HA H 1 3.866 0.030 . 1 . . . . 79 ARG HA . 11399 1 913 . 1 1 79 79 ARG HB2 H 1 1.865 0.030 . 1 . . . . 79 ARG HB2 . 11399 1 914 . 1 1 79 79 ARG HB3 H 1 1.865 0.030 . 1 . . . . 79 ARG HB3 . 11399 1 915 . 1 1 79 79 ARG HD2 H 1 3.192 0.030 . 2 . . . . 79 ARG HD2 . 11399 1 916 . 1 1 79 79 ARG HD3 H 1 2.939 0.030 . 2 . . . . 79 ARG HD3 . 11399 1 917 . 1 1 79 79 ARG HG2 H 1 1.492 0.030 . 1 . . . . 79 ARG HG2 . 11399 1 918 . 1 1 79 79 ARG HG3 H 1 1.492 0.030 . 1 . . . . 79 ARG HG3 . 11399 1 919 . 1 1 79 79 ARG C C 13 176.040 0.300 . 1 . . . . 79 ARG C . 11399 1 920 . 1 1 79 79 ARG CA C 13 56.827 0.300 . 1 . . . . 79 ARG CA . 11399 1 921 . 1 1 79 79 ARG CB C 13 27.309 0.300 . 1 . . . . 79 ARG CB . 11399 1 922 . 1 1 79 79 ARG CD C 13 43.604 0.300 . 1 . . . . 79 ARG CD . 11399 1 923 . 1 1 79 79 ARG CG C 13 27.833 0.300 . 1 . . . . 79 ARG CG . 11399 1 924 . 1 1 79 79 ARG N N 15 120.315 0.300 . 1 . . . . 79 ARG N . 11399 1 925 . 1 1 80 80 ASN H H 1 9.059 0.030 . 1 . . . . 80 ASN H . 11399 1 926 . 1 1 80 80 ASN HA H 1 4.081 0.030 . 1 . . . . 80 ASN HA . 11399 1 927 . 1 1 80 80 ASN HB2 H 1 3.048 0.030 . 2 . . . . 80 ASN HB2 . 11399 1 928 . 1 1 80 80 ASN HB3 H 1 2.952 0.030 . 2 . . . . 80 ASN HB3 . 11399 1 929 . 1 1 80 80 ASN HD21 H 1 7.480 0.030 . 2 . . . . 80 ASN HD21 . 11399 1 930 . 1 1 80 80 ASN HD22 H 1 6.806 0.030 . 2 . . . . 80 ASN HD22 . 11399 1 931 . 1 1 80 80 ASN C C 13 173.932 0.300 . 1 . . . . 80 ASN C . 11399 1 932 . 1 1 80 80 ASN CA C 13 54.780 0.300 . 1 . . . . 80 ASN CA . 11399 1 933 . 1 1 80 80 ASN CB C 13 37.883 0.300 . 1 . . . . 80 ASN CB . 11399 1 934 . 1 1 80 80 ASN N N 15 109.245 0.300 . 1 . . . . 80 ASN N . 11399 1 935 . 1 1 80 80 ASN ND2 N 15 112.888 0.300 . 1 . . . . 80 ASN ND2 . 11399 1 936 . 1 1 81 81 GLN H H 1 8.132 0.030 . 1 . . . . 81 GLN H . 11399 1 937 . 1 1 81 81 GLN HA H 1 4.968 0.030 . 1 . . . . 81 GLN HA . 11399 1 938 . 1 1 81 81 GLN HB2 H 1 2.178 0.030 . 2 . . . . 81 GLN HB2 . 11399 1 939 . 1 1 81 81 GLN HB3 H 1 2.002 0.030 . 2 . . . . 81 GLN HB3 . 11399 1 940 . 1 1 81 81 GLN HE21 H 1 7.449 0.030 . 2 . . . . 81 GLN HE21 . 11399 1 941 . 1 1 81 81 GLN HE22 H 1 6.919 0.030 . 2 . . . . 81 GLN HE22 . 11399 1 942 . 1 1 81 81 GLN HG2 H 1 2.361 0.030 . 1 . . . . 81 GLN HG2 . 11399 1 943 . 1 1 81 81 GLN HG3 H 1 2.361 0.030 . 1 . . . . 81 GLN HG3 . 11399 1 944 . 1 1 81 81 GLN C C 13 172.542 0.300 . 1 . . . . 81 GLN C . 11399 1 945 . 1 1 81 81 GLN CA C 13 52.492 0.300 . 1 . . . . 81 GLN CA . 11399 1 946 . 1 1 81 81 GLN CB C 13 30.664 0.300 . 1 . . . . 81 GLN CB . 11399 1 947 . 1 1 81 81 GLN CG C 13 33.368 0.300 . 1 . . . . 81 GLN CG . 11399 1 948 . 1 1 81 81 GLN N N 15 120.354 0.300 . 1 . . . . 81 GLN N . 11399 1 949 . 1 1 81 81 GLN NE2 N 15 113.011 0.300 . 1 . . . . 81 GLN NE2 . 11399 1 950 . 1 1 82 82 PRO HA H 1 4.294 0.030 . 1 . . . . 82 PRO HA . 11399 1 951 . 1 1 82 82 PRO HB2 H 1 1.796 0.030 . 2 . . . . 82 PRO HB2 . 11399 1 952 . 1 1 82 82 PRO HB3 H 1 1.654 0.030 . 2 . . . . 82 PRO HB3 . 11399 1 953 . 1 1 82 82 PRO HD2 H 1 3.750 0.030 . 1 . . . . 82 PRO HD2 . 11399 1 954 . 1 1 82 82 PRO HD3 H 1 3.750 0.030 . 1 . . . . 82 PRO HD3 . 11399 1 955 . 1 1 82 82 PRO HG2 H 1 2.075 0.030 . 2 . . . . 82 PRO HG2 . 11399 1 956 . 1 1 82 82 PRO HG3 H 1 1.922 0.030 . 2 . . . . 82 PRO HG3 . 11399 1 957 . 1 1 82 82 PRO C C 13 176.258 0.300 . 1 . . . . 82 PRO C . 11399 1 958 . 1 1 82 82 PRO CA C 13 62.463 0.300 . 1 . . . . 82 PRO CA . 11399 1 959 . 1 1 82 82 PRO CB C 13 31.938 0.300 . 1 . . . . 82 PRO CB . 11399 1 960 . 1 1 82 82 PRO CD C 13 50.695 0.300 . 1 . . . . 82 PRO CD . 11399 1 961 . 1 1 82 82 PRO CG C 13 27.392 0.300 . 1 . . . . 82 PRO CG . 11399 1 962 . 1 1 83 83 ILE H H 1 7.462 0.030 . 1 . . . . 83 ILE H . 11399 1 963 . 1 1 83 83 ILE HA H 1 4.599 0.030 . 1 . . . . 83 ILE HA . 11399 1 964 . 1 1 83 83 ILE HB H 1 1.856 0.030 . 1 . . . . 83 ILE HB . 11399 1 965 . 1 1 83 83 ILE HD11 H 1 0.481 0.030 . 1 . . . . 83 ILE HD1 . 11399 1 966 . 1 1 83 83 ILE HD12 H 1 0.481 0.030 . 1 . . . . 83 ILE HD1 . 11399 1 967 . 1 1 83 83 ILE HD13 H 1 0.481 0.030 . 1 . . . . 83 ILE HD1 . 11399 1 968 . 1 1 83 83 ILE HG12 H 1 0.808 0.030 . 2 . . . . 83 ILE HG12 . 11399 1 969 . 1 1 83 83 ILE HG13 H 1 0.506 0.030 . 2 . . . . 83 ILE HG13 . 11399 1 970 . 1 1 83 83 ILE HG21 H 1 0.815 0.030 . 1 . . . . 83 ILE HG2 . 11399 1 971 . 1 1 83 83 ILE HG22 H 1 0.815 0.030 . 1 . . . . 83 ILE HG2 . 11399 1 972 . 1 1 83 83 ILE HG23 H 1 0.815 0.030 . 1 . . . . 83 ILE HG2 . 11399 1 973 . 1 1 83 83 ILE C C 13 173.617 0.300 . 1 . . . . 83 ILE C . 11399 1 974 . 1 1 83 83 ILE CA C 13 58.992 0.300 . 1 . . . . 83 ILE CA . 11399 1 975 . 1 1 83 83 ILE CB C 13 40.200 0.300 . 1 . . . . 83 ILE CB . 11399 1 976 . 1 1 83 83 ILE CD1 C 13 14.756 0.300 . 1 . . . . 83 ILE CD1 . 11399 1 977 . 1 1 83 83 ILE CG1 C 13 25.804 0.300 . 1 . . . . 83 ILE CG1 . 11399 1 978 . 1 1 83 83 ILE CG2 C 13 18.119 0.300 . 1 . . . . 83 ILE CG2 . 11399 1 979 . 1 1 83 83 ILE N N 15 115.366 0.300 . 1 . . . . 83 ILE N . 11399 1 980 . 1 1 84 84 TYR H H 1 7.640 0.030 . 1 . . . . 84 TYR H . 11399 1 981 . 1 1 84 84 TYR HA H 1 4.812 0.030 . 1 . . . . 84 TYR HA . 11399 1 982 . 1 1 84 84 TYR HB2 H 1 2.699 0.030 . 2 . . . . 84 TYR HB2 . 11399 1 983 . 1 1 84 84 TYR HB3 H 1 2.545 0.030 . 2 . . . . 84 TYR HB3 . 11399 1 984 . 1 1 84 84 TYR HD1 H 1 6.902 0.030 . 1 . . . . 84 TYR HD1 . 11399 1 985 . 1 1 84 84 TYR HD2 H 1 6.902 0.030 . 1 . . . . 84 TYR HD2 . 11399 1 986 . 1 1 84 84 TYR HE1 H 1 6.706 0.030 . 1 . . . . 84 TYR HE1 . 11399 1 987 . 1 1 84 84 TYR HE2 H 1 6.706 0.030 . 1 . . . . 84 TYR HE2 . 11399 1 988 . 1 1 84 84 TYR C C 13 174.073 0.300 . 1 . . . . 84 TYR C . 11399 1 989 . 1 1 84 84 TYR CA C 13 56.722 0.300 . 1 . . . . 84 TYR CA . 11399 1 990 . 1 1 84 84 TYR CB C 13 41.480 0.300 . 1 . . . . 84 TYR CB . 11399 1 991 . 1 1 84 84 TYR CD1 C 13 132.667 0.300 . 1 . . . . 84 TYR CD1 . 11399 1 992 . 1 1 84 84 TYR CD2 C 13 132.667 0.300 . 1 . . . . 84 TYR CD2 . 11399 1 993 . 1 1 84 84 TYR CE1 C 13 118.118 0.300 . 1 . . . . 84 TYR CE1 . 11399 1 994 . 1 1 84 84 TYR CE2 C 13 118.118 0.300 . 1 . . . . 84 TYR CE2 . 11399 1 995 . 1 1 84 84 TYR N N 15 117.657 0.300 . 1 . . . . 84 TYR N . 11399 1 996 . 1 1 85 85 ILE H H 1 8.442 0.030 . 1 . . . . 85 ILE H . 11399 1 997 . 1 1 85 85 ILE HA H 1 4.533 0.030 . 1 . . . . 85 ILE HA . 11399 1 998 . 1 1 85 85 ILE HB H 1 1.476 0.030 . 1 . . . . 85 ILE HB . 11399 1 999 . 1 1 85 85 ILE HD11 H 1 0.354 0.030 . 1 . . . . 85 ILE HD1 . 11399 1 1000 . 1 1 85 85 ILE HD12 H 1 0.354 0.030 . 1 . . . . 85 ILE HD1 . 11399 1 1001 . 1 1 85 85 ILE HD13 H 1 0.354 0.030 . 1 . . . . 85 ILE HD1 . 11399 1 1002 . 1 1 85 85 ILE HG12 H 1 1.257 0.030 . 2 . . . . 85 ILE HG12 . 11399 1 1003 . 1 1 85 85 ILE HG13 H 1 0.721 0.030 . 2 . . . . 85 ILE HG13 . 11399 1 1004 . 1 1 85 85 ILE HG21 H 1 0.605 0.030 . 1 . . . . 85 ILE HG2 . 11399 1 1005 . 1 1 85 85 ILE HG22 H 1 0.605 0.030 . 1 . . . . 85 ILE HG2 . 11399 1 1006 . 1 1 85 85 ILE HG23 H 1 0.605 0.030 . 1 . . . . 85 ILE HG2 . 11399 1 1007 . 1 1 85 85 ILE C C 13 173.547 0.300 . 1 . . . . 85 ILE C . 11399 1 1008 . 1 1 85 85 ILE CA C 13 60.877 0.300 . 1 . . . . 85 ILE CA . 11399 1 1009 . 1 1 85 85 ILE CB C 13 40.585 0.300 . 1 . . . . 85 ILE CB . 11399 1 1010 . 1 1 85 85 ILE CD1 C 13 14.497 0.300 . 1 . . . . 85 ILE CD1 . 11399 1 1011 . 1 1 85 85 ILE CG1 C 13 27.401 0.300 . 1 . . . . 85 ILE CG1 . 11399 1 1012 . 1 1 85 85 ILE CG2 C 13 17.896 0.300 . 1 . . . . 85 ILE CG2 . 11399 1 1013 . 1 1 85 85 ILE N N 15 124.268 0.300 . 1 . . . . 85 ILE N . 11399 1 1014 . 1 1 86 86 GLN H H 1 8.383 0.030 . 1 . . . . 86 GLN H . 11399 1 1015 . 1 1 86 86 GLN HA H 1 4.534 0.030 . 1 . . . . 86 GLN HA . 11399 1 1016 . 1 1 86 86 GLN HB2 H 1 2.111 0.030 . 2 . . . . 86 GLN HB2 . 11399 1 1017 . 1 1 86 86 GLN HB3 H 1 2.050 0.030 . 2 . . . . 86 GLN HB3 . 11399 1 1018 . 1 1 86 86 GLN HG2 H 1 2.331 0.030 . 2 . . . . 86 GLN HG2 . 11399 1 1019 . 1 1 86 86 GLN HG3 H 1 2.298 0.030 . 2 . . . . 86 GLN HG3 . 11399 1 1020 . 1 1 86 86 GLN C C 13 174.720 0.300 . 1 . . . . 86 GLN C . 11399 1 1021 . 1 1 86 86 GLN CA C 13 53.393 0.300 . 1 . . . . 86 GLN CA . 11399 1 1022 . 1 1 86 86 GLN CB C 13 33.599 0.300 . 1 . . . . 86 GLN CB . 11399 1 1023 . 1 1 86 86 GLN CG C 13 33.645 0.300 . 1 . . . . 86 GLN CG . 11399 1 1024 . 1 1 86 86 GLN N N 15 123.584 0.300 . 1 . . . . 86 GLN N . 11399 1 1025 . 1 1 87 87 TYR H H 1 8.338 0.030 . 1 . . . . 87 TYR H . 11399 1 1026 . 1 1 87 87 TYR HA H 1 4.690 0.030 . 1 . . . . 87 TYR HA . 11399 1 1027 . 1 1 87 87 TYR HB2 H 1 2.683 0.030 . 2 . . . . 87 TYR HB2 . 11399 1 1028 . 1 1 87 87 TYR HB3 H 1 3.219 0.030 . 2 . . . . 87 TYR HB3 . 11399 1 1029 . 1 1 87 87 TYR HD1 H 1 7.215 0.030 . 1 . . . . 87 TYR HD1 . 11399 1 1030 . 1 1 87 87 TYR HD2 H 1 7.215 0.030 . 1 . . . . 87 TYR HD2 . 11399 1 1031 . 1 1 87 87 TYR HE1 H 1 6.671 0.030 . 1 . . . . 87 TYR HE1 . 11399 1 1032 . 1 1 87 87 TYR HE2 H 1 6.671 0.030 . 1 . . . . 87 TYR HE2 . 11399 1 1033 . 1 1 87 87 TYR C C 13 176.893 0.300 . 1 . . . . 87 TYR C . 11399 1 1034 . 1 1 87 87 TYR CA C 13 59.560 0.300 . 1 . . . . 87 TYR CA . 11399 1 1035 . 1 1 87 87 TYR CB C 13 38.950 0.300 . 1 . . . . 87 TYR CB . 11399 1 1036 . 1 1 87 87 TYR CD1 C 13 133.442 0.300 . 1 . . . . 87 TYR CD1 . 11399 1 1037 . 1 1 87 87 TYR CD2 C 13 133.442 0.300 . 1 . . . . 87 TYR CD2 . 11399 1 1038 . 1 1 87 87 TYR CE1 C 13 118.317 0.300 . 1 . . . . 87 TYR CE1 . 11399 1 1039 . 1 1 87 87 TYR CE2 C 13 118.317 0.300 . 1 . . . . 87 TYR CE2 . 11399 1 1040 . 1 1 87 87 TYR N N 15 120.196 0.300 . 1 . . . . 87 TYR N . 11399 1 1041 . 1 1 88 88 SER H H 1 9.015 0.030 . 1 . . . . 88 SER H . 11399 1 1042 . 1 1 88 88 SER HA H 1 4.822 0.030 . 1 . . . . 88 SER HA . 11399 1 1043 . 1 1 88 88 SER HB2 H 1 3.981 0.030 . 2 . . . . 88 SER HB2 . 11399 1 1044 . 1 1 88 88 SER HB3 H 1 3.831 0.030 . 2 . . . . 88 SER HB3 . 11399 1 1045 . 1 1 88 88 SER C C 13 173.882 0.300 . 1 . . . . 88 SER C . 11399 1 1046 . 1 1 88 88 SER CA C 13 57.127 0.300 . 1 . . . . 88 SER CA . 11399 1 1047 . 1 1 88 88 SER CB C 13 65.148 0.300 . 1 . . . . 88 SER CB . 11399 1 1048 . 1 1 88 88 SER N N 15 116.567 0.300 . 1 . . . . 88 SER N . 11399 1 1049 . 1 1 89 89 ASN H H 1 8.470 0.030 . 1 . . . . 89 ASN H . 11399 1 1050 . 1 1 89 89 ASN HA H 1 4.617 0.030 . 1 . . . . 89 ASN HA . 11399 1 1051 . 1 1 89 89 ASN HB2 H 1 2.734 0.030 . 2 . . . . 89 ASN HB2 . 11399 1 1052 . 1 1 89 89 ASN HB3 H 1 2.612 0.030 . 2 . . . . 89 ASN HB3 . 11399 1 1053 . 1 1 89 89 ASN C C 13 175.700 0.300 . 1 . . . . 89 ASN C . 11399 1 1054 . 1 1 89 89 ASN CA C 13 53.820 0.300 . 1 . . . . 89 ASN CA . 11399 1 1055 . 1 1 89 89 ASN CB C 13 38.383 0.300 . 1 . . . . 89 ASN CB . 11399 1 1056 . 1 1 89 89 ASN N N 15 119.580 0.300 . 1 . . . . 89 ASN N . 11399 1 1057 . 1 1 90 90 HIS H H 1 8.222 0.030 . 1 . . . . 90 HIS H . 11399 1 1058 . 1 1 90 90 HIS HA H 1 4.461 0.030 . 1 . . . . 90 HIS HA . 11399 1 1059 . 1 1 90 90 HIS HB2 H 1 2.851 0.030 . 2 . . . . 90 HIS HB2 . 11399 1 1060 . 1 1 90 90 HIS HB3 H 1 2.589 0.030 . 2 . . . . 90 HIS HB3 . 11399 1 1061 . 1 1 90 90 HIS HD2 H 1 6.251 0.030 . 1 . . . . 90 HIS HD2 . 11399 1 1062 . 1 1 90 90 HIS HE1 H 1 7.503 0.030 . 1 . . . . 90 HIS HE1 . 11399 1 1063 . 1 1 90 90 HIS C C 13 175.612 0.300 . 1 . . . . 90 HIS C . 11399 1 1064 . 1 1 90 90 HIS CA C 13 56.397 0.300 . 1 . . . . 90 HIS CA . 11399 1 1065 . 1 1 90 90 HIS CB C 13 31.069 0.300 . 1 . . . . 90 HIS CB . 11399 1 1066 . 1 1 90 90 HIS CD2 C 13 119.283 0.300 . 1 . . . . 90 HIS CD2 . 11399 1 1067 . 1 1 90 90 HIS CE1 C 13 138.808 0.300 . 1 . . . . 90 HIS CE1 . 11399 1 1068 . 1 1 90 90 HIS N N 15 119.477 0.300 . 1 . . . . 90 HIS N . 11399 1 1069 . 1 1 91 91 LYS HA H 1 4.328 0.030 . 1 . . . . 91 LYS HA . 11399 1 1070 . 1 1 91 91 LYS HB2 H 1 1.877 0.030 . 2 . . . . 91 LYS HB2 . 11399 1 1071 . 1 1 91 91 LYS HB3 H 1 1.757 0.030 . 2 . . . . 91 LYS HB3 . 11399 1 1072 . 1 1 91 91 LYS HD2 H 1 1.639 0.030 . 1 . . . . 91 LYS HD2 . 11399 1 1073 . 1 1 91 91 LYS HD3 H 1 1.639 0.030 . 1 . . . . 91 LYS HD3 . 11399 1 1074 . 1 1 91 91 LYS HE2 H 1 2.967 0.030 . 1 . . . . 91 LYS HE2 . 11399 1 1075 . 1 1 91 91 LYS HE3 H 1 2.967 0.030 . 1 . . . . 91 LYS HE3 . 11399 1 1076 . 1 1 91 91 LYS HG2 H 1 1.480 0.030 . 2 . . . . 91 LYS HG2 . 11399 1 1077 . 1 1 91 91 LYS HG3 H 1 1.416 0.030 . 2 . . . . 91 LYS HG3 . 11399 1 1078 . 1 1 91 91 LYS C C 13 176.077 0.300 . 1 . . . . 91 LYS C . 11399 1 1079 . 1 1 91 91 LYS CA C 13 56.727 0.300 . 1 . . . . 91 LYS CA . 11399 1 1080 . 1 1 91 91 LYS CB C 13 32.937 0.300 . 1 . . . . 91 LYS CB . 11399 1 1081 . 1 1 91 91 LYS CD C 13 28.662 0.300 . 1 . . . . 91 LYS CD . 11399 1 1082 . 1 1 91 91 LYS CE C 13 42.155 0.300 . 1 . . . . 91 LYS CE . 11399 1 1083 . 1 1 91 91 LYS CG C 13 24.941 0.300 . 1 . . . . 91 LYS CG . 11399 1 1084 . 1 1 92 92 GLU H H 1 7.574 0.030 . 1 . . . . 92 GLU H . 11399 1 1085 . 1 1 92 92 GLU HA H 1 4.235 0.030 . 1 . . . . 92 GLU HA . 11399 1 1086 . 1 1 92 92 GLU HB2 H 1 1.992 0.030 . 2 . . . . 92 GLU HB2 . 11399 1 1087 . 1 1 92 92 GLU HB3 H 1 1.817 0.030 . 2 . . . . 92 GLU HB3 . 11399 1 1088 . 1 1 92 92 GLU HG2 H 1 2.013 0.030 . 1 . . . . 92 GLU HG2 . 11399 1 1089 . 1 1 92 92 GLU HG3 H 1 2.013 0.030 . 1 . . . . 92 GLU HG3 . 11399 1 1090 . 1 1 92 92 GLU C C 13 174.830 0.300 . 1 . . . . 92 GLU C . 11399 1 1091 . 1 1 92 92 GLU CA C 13 55.100 0.300 . 1 . . . . 92 GLU CA . 11399 1 1092 . 1 1 92 92 GLU CB C 13 31.729 0.300 . 1 . . . . 92 GLU CB . 11399 1 1093 . 1 1 92 92 GLU CG C 13 35.225 0.300 . 1 . . . . 92 GLU CG . 11399 1 1094 . 1 1 92 92 GLU N N 15 114.358 0.300 . 1 . . . . 92 GLU N . 11399 1 1095 . 1 1 93 93 LEU H H 1 8.700 0.030 . 1 . . . . 93 LEU H . 11399 1 1096 . 1 1 93 93 LEU HA H 1 4.198 0.030 . 1 . . . . 93 LEU HA . 11399 1 1097 . 1 1 93 93 LEU HB2 H 1 1.351 0.030 . 2 . . . . 93 LEU HB2 . 11399 1 1098 . 1 1 93 93 LEU HB3 H 1 1.298 0.030 . 2 . . . . 93 LEU HB3 . 11399 1 1099 . 1 1 93 93 LEU HD11 H 1 0.556 0.030 . 1 . . . . 93 LEU HD1 . 11399 1 1100 . 1 1 93 93 LEU HD12 H 1 0.556 0.030 . 1 . . . . 93 LEU HD1 . 11399 1 1101 . 1 1 93 93 LEU HD13 H 1 0.556 0.030 . 1 . . . . 93 LEU HD1 . 11399 1 1102 . 1 1 93 93 LEU HD21 H 1 0.467 0.030 . 1 . . . . 93 LEU HD2 . 11399 1 1103 . 1 1 93 93 LEU HD22 H 1 0.467 0.030 . 1 . . . . 93 LEU HD2 . 11399 1 1104 . 1 1 93 93 LEU HD23 H 1 0.467 0.030 . 1 . . . . 93 LEU HD2 . 11399 1 1105 . 1 1 93 93 LEU HG H 1 1.324 0.030 . 1 . . . . 93 LEU HG . 11399 1 1106 . 1 1 93 93 LEU C C 13 176.177 0.300 . 1 . . . . 93 LEU C . 11399 1 1107 . 1 1 93 93 LEU CA C 13 54.243 0.300 . 1 . . . . 93 LEU CA . 11399 1 1108 . 1 1 93 93 LEU CB C 13 42.451 0.300 . 1 . . . . 93 LEU CB . 11399 1 1109 . 1 1 93 93 LEU CD1 C 13 24.763 0.300 . 2 . . . . 93 LEU CD1 . 11399 1 1110 . 1 1 93 93 LEU CD2 C 13 23.523 0.300 . 2 . . . . 93 LEU CD2 . 11399 1 1111 . 1 1 93 93 LEU CG C 13 26.784 0.300 . 1 . . . . 93 LEU CG . 11399 1 1112 . 1 1 93 93 LEU N N 15 122.837 0.300 . 1 . . . . 93 LEU N . 11399 1 1113 . 1 1 94 94 LYS H H 1 8.208 0.030 . 1 . . . . 94 LYS H . 11399 1 1114 . 1 1 94 94 LYS HA H 1 4.339 0.030 . 1 . . . . 94 LYS HA . 11399 1 1115 . 1 1 94 94 LYS HB2 H 1 1.757 0.030 . 2 . . . . 94 LYS HB2 . 11399 1 1116 . 1 1 94 94 LYS HB3 H 1 1.645 0.030 . 2 . . . . 94 LYS HB3 . 11399 1 1117 . 1 1 94 94 LYS HD2 H 1 1.596 0.030 . 1 . . . . 94 LYS HD2 . 11399 1 1118 . 1 1 94 94 LYS HD3 H 1 1.596 0.030 . 1 . . . . 94 LYS HD3 . 11399 1 1119 . 1 1 94 94 LYS HE2 H 1 2.900 0.030 . 1 . . . . 94 LYS HE2 . 11399 1 1120 . 1 1 94 94 LYS HE3 H 1 2.900 0.030 . 1 . . . . 94 LYS HE3 . 11399 1 1121 . 1 1 94 94 LYS HG2 H 1 1.294 0.030 . 1 . . . . 94 LYS HG2 . 11399 1 1122 . 1 1 94 94 LYS HG3 H 1 1.294 0.030 . 1 . . . . 94 LYS HG3 . 11399 1 1123 . 1 1 94 94 LYS C C 13 176.572 0.300 . 1 . . . . 94 LYS C . 11399 1 1124 . 1 1 94 94 LYS CA C 13 55.920 0.300 . 1 . . . . 94 LYS CA . 11399 1 1125 . 1 1 94 94 LYS CB C 13 33.048 0.300 . 1 . . . . 94 LYS CB . 11399 1 1126 . 1 1 94 94 LYS CD C 13 28.907 0.300 . 1 . . . . 94 LYS CD . 11399 1 1127 . 1 1 94 94 LYS CE C 13 42.079 0.300 . 1 . . . . 94 LYS CE . 11399 1 1128 . 1 1 94 94 LYS CG C 13 24.592 0.300 . 1 . . . . 94 LYS CG . 11399 1 1129 . 1 1 94 94 LYS N N 15 122.965 0.300 . 1 . . . . 94 LYS N . 11399 1 1130 . 1 1 95 95 THR H H 1 8.144 0.030 . 1 . . . . 95 THR H . 11399 1 1131 . 1 1 95 95 THR HA H 1 4.328 0.030 . 1 . . . . 95 THR HA . 11399 1 1132 . 1 1 95 95 THR HB H 1 4.260 0.030 . 1 . . . . 95 THR HB . 11399 1 1133 . 1 1 95 95 THR HG21 H 1 1.124 0.030 . 1 . . . . 95 THR HG2 . 11399 1 1134 . 1 1 95 95 THR HG22 H 1 1.124 0.030 . 1 . . . . 95 THR HG2 . 11399 1 1135 . 1 1 95 95 THR HG23 H 1 1.124 0.030 . 1 . . . . 95 THR HG2 . 11399 1 1136 . 1 1 95 95 THR C C 13 174.533 0.300 . 1 . . . . 95 THR C . 11399 1 1137 . 1 1 95 95 THR CA C 13 61.716 0.300 . 1 . . . . 95 THR CA . 11399 1 1138 . 1 1 95 95 THR CB C 13 69.707 0.300 . 1 . . . . 95 THR CB . 11399 1 1139 . 1 1 95 95 THR CG2 C 13 21.602 0.300 . 1 . . . . 95 THR CG2 . 11399 1 1140 . 1 1 95 95 THR N N 15 114.885 0.300 . 1 . . . . 95 THR N . 11399 1 1141 . 1 1 96 96 SER H H 1 8.206 0.030 . 1 . . . . 96 SER H . 11399 1 1142 . 1 1 96 96 SER HA H 1 4.491 0.030 . 1 . . . . 96 SER HA . 11399 1 1143 . 1 1 96 96 SER HB2 H 1 3.897 0.030 . 2 . . . . 96 SER HB2 . 11399 1 1144 . 1 1 96 96 SER HB3 H 1 3.840 0.030 . 2 . . . . 96 SER HB3 . 11399 1 1145 . 1 1 96 96 SER C C 13 174.369 0.300 . 1 . . . . 96 SER C . 11399 1 1146 . 1 1 96 96 SER CA C 13 58.465 0.300 . 1 . . . . 96 SER CA . 11399 1 1147 . 1 1 96 96 SER CB C 13 64.099 0.300 . 1 . . . . 96 SER CB . 11399 1 1148 . 1 1 96 96 SER N N 15 117.340 0.300 . 1 . . . . 96 SER N . 11399 1 1149 . 1 1 97 97 GLY H H 1 8.175 0.030 . 1 . . . . 97 GLY H . 11399 1 1150 . 1 1 97 97 GLY HA2 H 1 4.093 0.030 . 2 . . . . 97 GLY HA2 . 11399 1 1151 . 1 1 97 97 GLY CA C 13 44.650 0.300 . 1 . . . . 97 GLY CA . 11399 1 1152 . 1 1 97 97 GLY N N 15 110.493 0.300 . 1 . . . . 97 GLY N . 11399 1 1153 . 1 1 98 98 PRO HA H 1 4.443 0.030 . 1 . . . . 98 PRO HA . 11399 1 1154 . 1 1 98 98 PRO HB2 H 1 2.212 0.030 . 2 . . . . 98 PRO HB2 . 11399 1 1155 . 1 1 98 98 PRO HB3 H 1 1.903 0.030 . 2 . . . . 98 PRO HB3 . 11399 1 1156 . 1 1 98 98 PRO HD2 H 1 3.567 0.030 . 1 . . . . 98 PRO HD2 . 11399 1 1157 . 1 1 98 98 PRO HD3 H 1 3.567 0.030 . 1 . . . . 98 PRO HD3 . 11399 1 1158 . 1 1 98 98 PRO HG2 H 1 1.939 0.030 . 1 . . . . 98 PRO HG2 . 11399 1 1159 . 1 1 98 98 PRO HG3 H 1 1.939 0.030 . 1 . . . . 98 PRO HG3 . 11399 1 1160 . 1 1 98 98 PRO CA C 13 63.258 0.300 . 1 . . . . 98 PRO CA . 11399 1 1161 . 1 1 98 98 PRO CB C 13 32.123 0.300 . 1 . . . . 98 PRO CB . 11399 1 1162 . 1 1 98 98 PRO CD C 13 49.743 0.300 . 1 . . . . 98 PRO CD . 11399 1 1163 . 1 1 98 98 PRO CG C 13 27.092 0.300 . 1 . . . . 98 PRO CG . 11399 1 stop_ save_