data_10288 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10288 _Entry.Title ; Solution structure of the homeobox domain of Hepatocyte nuclear factor 1-beta (HNF-1beta) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-17 _Entry.Accession_date 2008-12-18 _Entry.Last_release_date 2009-12-17 _Entry.Original_release_date 2009-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 S. Ohnishi . . . 10288 2 T. Kigawa . . . 10288 3 M. Sato . . . 10288 4 S. Koshiba . . . 10288 5 M. Inoue . . . 10288 6 S. Yokoyama . . . 10288 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 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10288 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10288 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 401 10288 '15N chemical shifts' 99 10288 '1H chemical shifts' 623 10288 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-12-17 2008-12-17 original author . 10288 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DA6 'BMRB Entry Tracking System' 10288 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10288 _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 the homeobox domain of Hepatocyte nuclear factor 1-beta (HNF-1beta) ; _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 S. Ohnishi . . . 10288 1 2 T. Kigawa . . . 10288 1 3 M. Sato . . . 10288 1 4 S. Koshiba . . . 10288 1 5 M. Inoue . . . 10288 1 6 S. Yokoyama . . . 10288 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10288 _Assembly.ID 1 _Assembly.Name 'Hepatocyte nuclear factor 1-beta' _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 'homeobox domain' 1 $entity_1 . . yes native no no . . . 10288 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 . PDB 2DA6 . . . . . . 10288 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10288 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'homeobox domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRNRFKWGPASQQI LYQAYDRQKNPSKEEREALV EECNRAECLQRGVSPSKAHG LGSNLVTEVRVYNWFANRRK EEAFRQKLAMDAYSSNSGPS SG ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2DA6 . "Solution Structure Of The Homeobox Domain Of Hepatocyte Nuclear Factor 1-Beta (Hnf-1beta)" . . . . . 100.00 102 100.00 100.00 3.38e-67 . . . . 10288 1 2 no PDB 2H8R . "Hepatocyte Nuclear Factor 1b Bound To Dna: Mody5 Gene Product" . . . . . 76.47 221 100.00 100.00 3.14e-49 . . . . 10288 1 3 no DBJ BAA77718 . "hepatic nuclear factor 1-beta long form [Mus musculus]" . . . . . 87.25 558 100.00 100.00 2.71e-56 . . . . 10288 1 4 no DBJ BAA77719 . "hepatic nuclear factor 1-beta short form [Mus musculus]" . . . . . 87.25 532 100.00 100.00 1.93e-56 . . . . 10288 1 5 no DBJ BAA77720 . "hepatic nuclear factor 1-beta long form [Mus musculus]" . . . . . 87.25 558 100.00 100.00 3.21e-56 . . . . 10288 1 6 no DBJ BAA77721 . "hepatic nuclear factor 1-beta short form [Mus musculus]" . . . . . 87.25 532 100.00 100.00 1.91e-56 . . . . 10288 1 7 no DBJ BAB23604 . "unnamed protein product [Mus musculus]" . . . . . 87.25 558 100.00 100.00 2.71e-56 . . . . 10288 1 8 no EMBL CAA39358 . "LFB3 homeoprotein [Mus musculus]" . . . . . 87.25 559 100.00 100.00 1.98e-56 . . . . 10288 1 9 no EMBL CAA39886 . "variant hepatic nuclear factor 1 (vHNF1) [Rattus norvegicus]" . . . . . 87.25 557 100.00 100.00 3.00e-56 . . . . 10288 1 10 no EMBL CAA41652 . "variant hepatic nuclear factor 1 (vHNF1) [Homo sapiens]" . . . . . 87.25 557 100.00 100.00 2.82e-56 . . . . 10288 1 11 no EMBL CAA49356 . "porcine vHNF-1 [Sus scrofa]" . . . . . 88.24 559 98.89 98.89 1.31e-54 . . . . 10288 1 12 no EMBL CAB59223 . "varient hepatic nuclear factor 1 [Homo sapiens]" . . . . . 87.25 166 100.00 100.00 2.17e-58 . . . . 10288 1 13 no GB AAC63388 . "hepatocyte nuclear factor 1-beta [Homo sapiens]" . . . . . 87.25 557 100.00 100.00 2.82e-56 . . . . 10288 1 14 no GB AAH17714 . "HNF1 homeobox B [Homo sapiens]" . . . . . 87.25 557 100.00 100.00 2.82e-56 . . . . 10288 1 15 no GB AAH25189 . "Hnf1b protein [Mus musculus]" . . . . . 87.25 435 100.00 100.00 2.76e-57 . . . . 10288 1 16 no GB AAH81826 . "HNF1 homeobox B [Rattus norvegicus]" . . . . . 87.25 557 100.00 100.00 3.00e-56 . . . . 10288 1 17 no GB AAI29148 . "HNF1 homeobox b [Danio rerio]" . . . . . 85.29 559 98.85 100.00 3.23e-54 . . . . 10288 1 18 no REF NP_000449 . "hepatocyte nuclear factor 1-beta isoform 1 [Homo sapiens]" . . . . . 87.25 557 100.00 100.00 2.82e-56 . . . . 10288 1 19 no REF NP_001124797 . "hepatocyte nuclear factor 1-beta [Pongo abelii]" . . . . . 87.25 557 100.00 100.00 2.91e-56 . . . . 10288 1 20 no REF NP_001159395 . "hepatocyte nuclear factor 1-beta isoform 2 [Homo sapiens]" . . . . . 87.25 531 100.00 100.00 1.84e-56 . . . . 10288 1 21 no REF NP_001179784 . "hepatocyte nuclear factor 1-beta [Bos taurus]" . . . . . 87.25 557 98.88 100.00 1.67e-55 . . . . 10288 1 22 no REF NP_001181477 . "hepatocyte nuclear factor 1-beta [Macaca mulatta]" . . . . . 87.25 557 100.00 100.00 2.65e-56 . . . . 10288 1 23 no SP A1L1N5 . "RecName: Full=Hepatocyte nuclear factor 1-beta-A; Short=HNF-1-beta-A; Short=HNF-1B-A; AltName: Full=Hepatocyte nuclear factor 1" . . . . . 85.29 559 98.85 100.00 2.94e-54 . . . . 10288 1 24 no SP P23899 . "RecName: Full=Hepatocyte nuclear factor 1-beta; Short=HNF-1-beta; Short=HNF-1B; AltName: Full=Transcription factor 2; Short=TCF" . . . . . 87.25 557 100.00 100.00 3.00e-56 . . . . 10288 1 25 no SP P27889 . "RecName: Full=Hepatocyte nuclear factor 1-beta; Short=HNF-1-beta; Short=HNF-1B; AltName: Full=Homeoprotein LFB3; AltName: Full=" . . . . . 87.25 558 100.00 100.00 2.71e-56 . . . . 10288 1 26 no SP P35680 . "RecName: Full=Hepatocyte nuclear factor 1-beta; Short=HNF-1-beta; Short=HNF-1B; AltName: Full=Homeoprotein LFB3; AltName: Full=" . . . . . 87.25 557 100.00 100.00 2.82e-56 . . . . 10288 1 27 no SP Q03365 . "RecName: Full=Hepatocyte nuclear factor 1-beta; Short=HNF-1-beta; Short=HNF-1B; AltName: Full=FPC-binding protein; Short=FPCB; " . . . . . 88.24 559 98.89 98.89 1.31e-54 . . . . 10288 1 28 no TPG DAA19061 . "TPA: HNF1 homeobox B isoform 1 [Bos taurus]" . . . . . 87.25 557 98.88 100.00 1.67e-55 . . . . 10288 1 29 no TPG DAA19062 . "TPA: HNF1 homeobox B isoform 2 [Bos taurus]" . . . . . 87.25 531 98.88 100.00 1.05e-55 . . . . 10288 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10288 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 . 10288 1 2 . SER . 10288 1 3 . SER . 10288 1 4 . GLY . 10288 1 5 . SER . 10288 1 6 . SER . 10288 1 7 . GLY . 10288 1 8 . ARG . 10288 1 9 . ASN . 10288 1 10 . ARG . 10288 1 11 . PHE . 10288 1 12 . LYS . 10288 1 13 . TRP . 10288 1 14 . GLY . 10288 1 15 . PRO . 10288 1 16 . ALA . 10288 1 17 . SER . 10288 1 18 . GLN . 10288 1 19 . GLN . 10288 1 20 . ILE . 10288 1 21 . LEU . 10288 1 22 . TYR . 10288 1 23 . GLN . 10288 1 24 . ALA . 10288 1 25 . TYR . 10288 1 26 . ASP . 10288 1 27 . ARG . 10288 1 28 . GLN . 10288 1 29 . LYS . 10288 1 30 . ASN . 10288 1 31 . PRO . 10288 1 32 . SER . 10288 1 33 . LYS . 10288 1 34 . GLU . 10288 1 35 . GLU . 10288 1 36 . ARG . 10288 1 37 . GLU . 10288 1 38 . ALA . 10288 1 39 . LEU . 10288 1 40 . VAL . 10288 1 41 . GLU . 10288 1 42 . GLU . 10288 1 43 . CYS . 10288 1 44 . ASN . 10288 1 45 . ARG . 10288 1 46 . ALA . 10288 1 47 . GLU . 10288 1 48 . CYS . 10288 1 49 . LEU . 10288 1 50 . GLN . 10288 1 51 . ARG . 10288 1 52 . GLY . 10288 1 53 . VAL . 10288 1 54 . SER . 10288 1 55 . PRO . 10288 1 56 . SER . 10288 1 57 . LYS . 10288 1 58 . ALA . 10288 1 59 . HIS . 10288 1 60 . GLY . 10288 1 61 . LEU . 10288 1 62 . GLY . 10288 1 63 . SER . 10288 1 64 . ASN . 10288 1 65 . LEU . 10288 1 66 . VAL . 10288 1 67 . THR . 10288 1 68 . GLU . 10288 1 69 . VAL . 10288 1 70 . ARG . 10288 1 71 . VAL . 10288 1 72 . TYR . 10288 1 73 . ASN . 10288 1 74 . TRP . 10288 1 75 . PHE . 10288 1 76 . ALA . 10288 1 77 . ASN . 10288 1 78 . ARG . 10288 1 79 . ARG . 10288 1 80 . LYS . 10288 1 81 . GLU . 10288 1 82 . GLU . 10288 1 83 . ALA . 10288 1 84 . PHE . 10288 1 85 . ARG . 10288 1 86 . GLN . 10288 1 87 . LYS . 10288 1 88 . LEU . 10288 1 89 . ALA . 10288 1 90 . MET . 10288 1 91 . ASP . 10288 1 92 . ALA . 10288 1 93 . TYR . 10288 1 94 . SER . 10288 1 95 . SER . 10288 1 96 . ASN . 10288 1 97 . SER . 10288 1 98 . GLY . 10288 1 99 . PRO . 10288 1 100 . SER . 10288 1 101 . SER . 10288 1 102 . GLY . 10288 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 10288 1 . SER 2 2 10288 1 . SER 3 3 10288 1 . GLY 4 4 10288 1 . SER 5 5 10288 1 . SER 6 6 10288 1 . GLY 7 7 10288 1 . ARG 8 8 10288 1 . ASN 9 9 10288 1 . ARG 10 10 10288 1 . PHE 11 11 10288 1 . LYS 12 12 10288 1 . TRP 13 13 10288 1 . GLY 14 14 10288 1 . PRO 15 15 10288 1 . ALA 16 16 10288 1 . SER 17 17 10288 1 . GLN 18 18 10288 1 . GLN 19 19 10288 1 . ILE 20 20 10288 1 . LEU 21 21 10288 1 . TYR 22 22 10288 1 . GLN 23 23 10288 1 . ALA 24 24 10288 1 . TYR 25 25 10288 1 . ASP 26 26 10288 1 . ARG 27 27 10288 1 . GLN 28 28 10288 1 . LYS 29 29 10288 1 . ASN 30 30 10288 1 . PRO 31 31 10288 1 . SER 32 32 10288 1 . LYS 33 33 10288 1 . GLU 34 34 10288 1 . GLU 35 35 10288 1 . ARG 36 36 10288 1 . GLU 37 37 10288 1 . ALA 38 38 10288 1 . LEU 39 39 10288 1 . VAL 40 40 10288 1 . GLU 41 41 10288 1 . GLU 42 42 10288 1 . CYS 43 43 10288 1 . ASN 44 44 10288 1 . ARG 45 45 10288 1 . ALA 46 46 10288 1 . GLU 47 47 10288 1 . CYS 48 48 10288 1 . LEU 49 49 10288 1 . GLN 50 50 10288 1 . ARG 51 51 10288 1 . GLY 52 52 10288 1 . VAL 53 53 10288 1 . SER 54 54 10288 1 . PRO 55 55 10288 1 . SER 56 56 10288 1 . LYS 57 57 10288 1 . ALA 58 58 10288 1 . HIS 59 59 10288 1 . GLY 60 60 10288 1 . LEU 61 61 10288 1 . GLY 62 62 10288 1 . SER 63 63 10288 1 . ASN 64 64 10288 1 . LEU 65 65 10288 1 . VAL 66 66 10288 1 . THR 67 67 10288 1 . GLU 68 68 10288 1 . VAL 69 69 10288 1 . ARG 70 70 10288 1 . VAL 71 71 10288 1 . TYR 72 72 10288 1 . ASN 73 73 10288 1 . TRP 74 74 10288 1 . PHE 75 75 10288 1 . ALA 76 76 10288 1 . ASN 77 77 10288 1 . ARG 78 78 10288 1 . ARG 79 79 10288 1 . LYS 80 80 10288 1 . GLU 81 81 10288 1 . GLU 82 82 10288 1 . ALA 83 83 10288 1 . PHE 84 84 10288 1 . ARG 85 85 10288 1 . GLN 86 86 10288 1 . LYS 87 87 10288 1 . LEU 88 88 10288 1 . ALA 89 89 10288 1 . MET 90 90 10288 1 . ASP 91 91 10288 1 . ALA 92 92 10288 1 . TYR 93 93 10288 1 . SER 94 94 10288 1 . SER 95 95 10288 1 . ASN 96 96 10288 1 . SER 97 97 10288 1 . GLY 98 98 10288 1 . PRO 99 99 10288 1 . SER 100 100 10288 1 . SER 101 101 10288 1 . GLY 102 102 10288 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 10288 _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 . . . . . . . . . . . . . . . . . . . . . 10288 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 10288 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P050404-17 . . . . . . 10288 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10288 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'homeobox domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.2 . . mM . . . . 10288 1 2 d-TrisHCl . . . . . . buffer 20 . . mM . . . . 10288 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10288 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10288 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10288 1 6 H2O . . . . . . solvent 90 . . % . . . . 10288 1 7 D2O . . . . . . solvent 10 . . % . . . . 10288 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 10288 _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 10288 1 pH 7.0 0.05 pH 10288 1 pressure 1 0.001 atm 10288 1 temperature 296 0.1 K 10288 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10288 _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 . . 10288 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10288 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10288 _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.' . . 10288 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10288 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10288 _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.' . . 10288 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10288 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10288 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10288 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10288 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10288 _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.' . . 10288 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10288 5 'structure solution' 10288 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 10288 _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 10288 _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 . . . 10288 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 10288 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10288 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10288 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 10288 _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 . . . . . . . . . 10288 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10288 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10288 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 10288 _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 13C-separated NOESY' 1 $sample_1 isotropic 10288 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10288 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 9 9 ASN H H 1 8.856 0.030 . 1 . . . . 9 ASN H . 10288 1 2 . 1 1 9 9 ASN HA H 1 4.694 0.030 . 1 . . . . 9 ASN HA . 10288 1 3 . 1 1 9 9 ASN HB2 H 1 2.844 0.030 . 2 . . . . 9 ASN HB2 . 10288 1 4 . 1 1 9 9 ASN HB3 H 1 2.745 0.030 . 2 . . . . 9 ASN HB3 . 10288 1 5 . 1 1 9 9 ASN HD21 H 1 6.939 0.030 . 2 . . . . 9 ASN HD21 . 10288 1 6 . 1 1 9 9 ASN HD22 H 1 7.603 0.030 . 2 . . . . 9 ASN HD22 . 10288 1 7 . 1 1 9 9 ASN CA C 13 53.401 0.300 . 1 . . . . 9 ASN CA . 10288 1 8 . 1 1 9 9 ASN CB C 13 38.757 0.300 . 1 . . . . 9 ASN CB . 10288 1 9 . 1 1 9 9 ASN ND2 N 15 113.186 0.300 . 1 . . . . 9 ASN ND2 . 10288 1 10 . 1 1 10 10 ARG HA H 1 4.346 0.030 . 1 . . . . 10 ARG HA . 10288 1 11 . 1 1 10 10 ARG HB2 H 1 1.711 0.030 . 2 . . . . 10 ARG HB2 . 10288 1 12 . 1 1 10 10 ARG HB3 H 1 1.829 0.030 . 2 . . . . 10 ARG HB3 . 10288 1 13 . 1 1 10 10 ARG HD2 H 1 3.189 0.030 . 1 . . . . 10 ARG HD2 . 10288 1 14 . 1 1 10 10 ARG HD3 H 1 3.189 0.030 . 1 . . . . 10 ARG HD3 . 10288 1 15 . 1 1 10 10 ARG HG2 H 1 1.581 0.030 . 1 . . . . 10 ARG HG2 . 10288 1 16 . 1 1 10 10 ARG HG3 H 1 1.581 0.030 . 1 . . . . 10 ARG HG3 . 10288 1 17 . 1 1 10 10 ARG C C 13 175.405 0.300 . 1 . . . . 10 ARG C . 10288 1 18 . 1 1 10 10 ARG CA C 13 56.181 0.300 . 1 . . . . 10 ARG CA . 10288 1 19 . 1 1 10 10 ARG CB C 13 31.171 0.300 . 1 . . . . 10 ARG CB . 10288 1 20 . 1 1 10 10 ARG CD C 13 43.406 0.300 . 1 . . . . 10 ARG CD . 10288 1 21 . 1 1 10 10 ARG CG C 13 27.105 0.300 . 1 . . . . 10 ARG CG . 10288 1 22 . 1 1 11 11 PHE H H 1 8.310 0.030 . 1 . . . . 11 PHE H . 10288 1 23 . 1 1 11 11 PHE HA H 1 4.291 0.030 . 1 . . . . 11 PHE HA . 10288 1 24 . 1 1 11 11 PHE HB2 H 1 2.595 0.030 . 2 . . . . 11 PHE HB2 . 10288 1 25 . 1 1 11 11 PHE HB3 H 1 2.986 0.030 . 2 . . . . 11 PHE HB3 . 10288 1 26 . 1 1 11 11 PHE HD1 H 1 6.695 0.030 . 1 . . . . 11 PHE HD1 . 10288 1 27 . 1 1 11 11 PHE HD2 H 1 6.695 0.030 . 1 . . . . 11 PHE HD2 . 10288 1 28 . 1 1 11 11 PHE HE1 H 1 6.056 0.030 . 1 . . . . 11 PHE HE1 . 10288 1 29 . 1 1 11 11 PHE HE2 H 1 6.056 0.030 . 1 . . . . 11 PHE HE2 . 10288 1 30 . 1 1 11 11 PHE HZ H 1 5.825 0.030 . 1 . . . . 11 PHE HZ . 10288 1 31 . 1 1 11 11 PHE C C 13 174.458 0.300 . 1 . . . . 11 PHE C . 10288 1 32 . 1 1 11 11 PHE CA C 13 58.967 0.300 . 1 . . . . 11 PHE CA . 10288 1 33 . 1 1 11 11 PHE CB C 13 40.138 0.300 . 1 . . . . 11 PHE CB . 10288 1 34 . 1 1 11 11 PHE CD1 C 13 131.012 0.300 . 1 . . . . 11 PHE CD1 . 10288 1 35 . 1 1 11 11 PHE CD2 C 13 131.012 0.300 . 1 . . . . 11 PHE CD2 . 10288 1 36 . 1 1 11 11 PHE CE1 C 13 131.012 0.300 . 1 . . . . 11 PHE CE1 . 10288 1 37 . 1 1 11 11 PHE CE2 C 13 131.012 0.300 . 1 . . . . 11 PHE CE2 . 10288 1 38 . 1 1 11 11 PHE CZ C 13 128.907 0.300 . 1 . . . . 11 PHE CZ . 10288 1 39 . 1 1 11 11 PHE N N 15 123.604 0.300 . 1 . . . . 11 PHE N . 10288 1 40 . 1 1 12 12 LYS H H 1 7.307 0.030 . 1 . . . . 12 LYS H . 10288 1 41 . 1 1 12 12 LYS HA H 1 4.165 0.030 . 1 . . . . 12 LYS HA . 10288 1 42 . 1 1 12 12 LYS HB2 H 1 1.510 0.030 . 2 . . . . 12 LYS HB2 . 10288 1 43 . 1 1 12 12 LYS HB3 H 1 1.407 0.030 . 2 . . . . 12 LYS HB3 . 10288 1 44 . 1 1 12 12 LYS HD2 H 1 1.596 0.030 . 1 . . . . 12 LYS HD2 . 10288 1 45 . 1 1 12 12 LYS HD3 H 1 1.596 0.030 . 1 . . . . 12 LYS HD3 . 10288 1 46 . 1 1 12 12 LYS HE2 H 1 2.954 0.030 . 1 . . . . 12 LYS HE2 . 10288 1 47 . 1 1 12 12 LYS HE3 H 1 2.954 0.030 . 1 . . . . 12 LYS HE3 . 10288 1 48 . 1 1 12 12 LYS HG2 H 1 1.214 0.030 . 1 . . . . 12 LYS HG2 . 10288 1 49 . 1 1 12 12 LYS HG3 H 1 1.214 0.030 . 1 . . . . 12 LYS HG3 . 10288 1 50 . 1 1 12 12 LYS C C 13 174.385 0.300 . 1 . . . . 12 LYS C . 10288 1 51 . 1 1 12 12 LYS CA C 13 54.593 0.300 . 1 . . . . 12 LYS CA . 10288 1 52 . 1 1 12 12 LYS CB C 13 34.712 0.300 . 1 . . . . 12 LYS CB . 10288 1 53 . 1 1 12 12 LYS CD C 13 29.245 0.300 . 1 . . . . 12 LYS CD . 10288 1 54 . 1 1 12 12 LYS CE C 13 42.170 0.300 . 1 . . . . 12 LYS CE . 10288 1 55 . 1 1 12 12 LYS CG C 13 24.306 0.300 . 1 . . . . 12 LYS CG . 10288 1 56 . 1 1 12 12 LYS N N 15 127.282 0.300 . 1 . . . . 12 LYS N . 10288 1 57 . 1 1 13 13 TRP H H 1 8.039 0.030 . 1 . . . . 13 TRP H . 10288 1 58 . 1 1 13 13 TRP HA H 1 4.370 0.030 . 1 . . . . 13 TRP HA . 10288 1 59 . 1 1 13 13 TRP HB2 H 1 3.080 0.030 . 2 . . . . 13 TRP HB2 . 10288 1 60 . 1 1 13 13 TRP HB3 H 1 3.028 0.030 . 2 . . . . 13 TRP HB3 . 10288 1 61 . 1 1 13 13 TRP HD1 H 1 7.548 0.030 . 1 . . . . 13 TRP HD1 . 10288 1 62 . 1 1 13 13 TRP HE1 H 1 10.463 0.030 . 1 . . . . 13 TRP HE1 . 10288 1 63 . 1 1 13 13 TRP HE3 H 1 7.716 0.030 . 1 . . . . 13 TRP HE3 . 10288 1 64 . 1 1 13 13 TRP HH2 H 1 6.810 0.030 . 1 . . . . 13 TRP HH2 . 10288 1 65 . 1 1 13 13 TRP HZ2 H 1 7.567 0.030 . 1 . . . . 13 TRP HZ2 . 10288 1 66 . 1 1 13 13 TRP HZ3 H 1 7.058 0.030 . 1 . . . . 13 TRP HZ3 . 10288 1 67 . 1 1 13 13 TRP C C 13 177.857 0.300 . 1 . . . . 13 TRP C . 10288 1 68 . 1 1 13 13 TRP CA C 13 56.675 0.300 . 1 . . . . 13 TRP CA . 10288 1 69 . 1 1 13 13 TRP CB C 13 30.317 0.300 . 1 . . . . 13 TRP CB . 10288 1 70 . 1 1 13 13 TRP CD1 C 13 126.969 0.300 . 1 . . . . 13 TRP CD1 . 10288 1 71 . 1 1 13 13 TRP CE3 C 13 120.769 0.300 . 1 . . . . 13 TRP CE3 . 10288 1 72 . 1 1 13 13 TRP CH2 C 13 123.374 0.300 . 1 . . . . 13 TRP CH2 . 10288 1 73 . 1 1 13 13 TRP CZ2 C 13 114.826 0.300 . 1 . . . . 13 TRP CZ2 . 10288 1 74 . 1 1 13 13 TRP CZ3 C 13 122.567 0.300 . 1 . . . . 13 TRP CZ3 . 10288 1 75 . 1 1 13 13 TRP N N 15 124.264 0.300 . 1 . . . . 13 TRP N . 10288 1 76 . 1 1 13 13 TRP NE1 N 15 128.553 0.300 . 1 . . . . 13 TRP NE1 . 10288 1 77 . 1 1 14 14 GLY H H 1 9.815 0.030 . 1 . . . . 14 GLY H . 10288 1 78 . 1 1 14 14 GLY HA2 H 1 4.370 0.030 . 2 . . . . 14 GLY HA2 . 10288 1 79 . 1 1 14 14 GLY HA3 H 1 4.335 0.030 . 2 . . . . 14 GLY HA3 . 10288 1 80 . 1 1 14 14 GLY C C 13 172.904 0.300 . 1 . . . . 14 GLY C . 10288 1 81 . 1 1 14 14 GLY CA C 13 44.157 0.300 . 1 . . . . 14 GLY CA . 10288 1 82 . 1 1 14 14 GLY N N 15 115.294 0.300 . 1 . . . . 14 GLY N . 10288 1 83 . 1 1 15 15 PRO HA H 1 4.327 0.030 . 1 . . . . 15 PRO HA . 10288 1 84 . 1 1 15 15 PRO HB2 H 1 2.016 0.030 . 2 . . . . 15 PRO HB2 . 10288 1 85 . 1 1 15 15 PRO HB3 H 1 2.348 0.030 . 2 . . . . 15 PRO HB3 . 10288 1 86 . 1 1 15 15 PRO HD2 H 1 3.751 0.030 . 2 . . . . 15 PRO HD2 . 10288 1 87 . 1 1 15 15 PRO HD3 H 1 4.023 0.030 . 2 . . . . 15 PRO HD3 . 10288 1 88 . 1 1 15 15 PRO HG2 H 1 2.174 0.030 . 2 . . . . 15 PRO HG2 . 10288 1 89 . 1 1 15 15 PRO HG3 H 1 2.085 0.030 . 2 . . . . 15 PRO HG3 . 10288 1 90 . 1 1 15 15 PRO C C 13 179.726 0.300 . 1 . . . . 15 PRO C . 10288 1 91 . 1 1 15 15 PRO CA C 13 65.171 0.300 . 1 . . . . 15 PRO CA . 10288 1 92 . 1 1 15 15 PRO CB C 13 31.829 0.300 . 1 . . . . 15 PRO CB . 10288 1 93 . 1 1 15 15 PRO CD C 13 50.237 0.300 . 1 . . . . 15 PRO CD . 10288 1 94 . 1 1 15 15 PRO CG C 13 27.681 0.300 . 1 . . . . 15 PRO CG . 10288 1 95 . 1 1 16 16 ALA H H 1 9.214 0.030 . 1 . . . . 16 ALA H . 10288 1 96 . 1 1 16 16 ALA HA H 1 4.166 0.030 . 1 . . . . 16 ALA HA . 10288 1 97 . 1 1 16 16 ALA HB1 H 1 1.357 0.030 . 1 . . . . 16 ALA HB . 10288 1 98 . 1 1 16 16 ALA HB2 H 1 1.357 0.030 . 1 . . . . 16 ALA HB . 10288 1 99 . 1 1 16 16 ALA HB3 H 1 1.357 0.030 . 1 . . . . 16 ALA HB . 10288 1 100 . 1 1 16 16 ALA C C 13 181.184 0.300 . 1 . . . . 16 ALA C . 10288 1 101 . 1 1 16 16 ALA CA C 13 55.370 0.300 . 1 . . . . 16 ALA CA . 10288 1 102 . 1 1 16 16 ALA CB C 13 18.058 0.300 . 1 . . . . 16 ALA CB . 10288 1 103 . 1 1 16 16 ALA N N 15 122.414 0.300 . 1 . . . . 16 ALA N . 10288 1 104 . 1 1 17 17 SER H H 1 7.985 0.030 . 1 . . . . 17 SER H . 10288 1 105 . 1 1 17 17 SER HA H 1 4.317 0.030 . 1 . . . . 17 SER HA . 10288 1 106 . 1 1 17 17 SER HB2 H 1 3.962 0.030 . 2 . . . . 17 SER HB2 . 10288 1 107 . 1 1 17 17 SER C C 13 175.381 0.300 . 1 . . . . 17 SER C . 10288 1 108 . 1 1 17 17 SER CA C 13 63.163 0.300 . 1 . . . . 17 SER CA . 10288 1 109 . 1 1 17 17 SER CB C 13 64.055 0.300 . 1 . . . . 17 SER CB . 10288 1 110 . 1 1 17 17 SER N N 15 116.568 0.300 . 1 . . . . 17 SER N . 10288 1 111 . 1 1 18 18 GLN H H 1 8.316 0.030 . 1 . . . . 18 GLN H . 10288 1 112 . 1 1 18 18 GLN HA H 1 3.323 0.030 . 1 . . . . 18 GLN HA . 10288 1 113 . 1 1 18 18 GLN HB2 H 1 2.036 0.030 . 1 . . . . 18 GLN HB2 . 10288 1 114 . 1 1 18 18 GLN HB3 H 1 2.036 0.030 . 1 . . . . 18 GLN HB3 . 10288 1 115 . 1 1 18 18 GLN HE21 H 1 7.068 0.030 . 2 . . . . 18 GLN HE21 . 10288 1 116 . 1 1 18 18 GLN HE22 H 1 6.814 0.030 . 2 . . . . 18 GLN HE22 . 10288 1 117 . 1 1 18 18 GLN HG2 H 1 1.969 0.030 . 2 . . . . 18 GLN HG2 . 10288 1 118 . 1 1 18 18 GLN HG3 H 1 2.413 0.030 . 2 . . . . 18 GLN HG3 . 10288 1 119 . 1 1 18 18 GLN C C 13 176.812 0.300 . 1 . . . . 18 GLN C . 10288 1 120 . 1 1 18 18 GLN CA C 13 60.025 0.300 . 1 . . . . 18 GLN CA . 10288 1 121 . 1 1 18 18 GLN CB C 13 28.686 0.300 . 1 . . . . 18 GLN CB . 10288 1 122 . 1 1 18 18 GLN CG C 13 35.029 0.300 . 1 . . . . 18 GLN CG . 10288 1 123 . 1 1 18 18 GLN N N 15 119.002 0.300 . 1 . . . . 18 GLN N . 10288 1 124 . 1 1 18 18 GLN NE2 N 15 111.414 0.300 . 1 . . . . 18 GLN NE2 . 10288 1 125 . 1 1 19 19 GLN H H 1 7.582 0.030 . 1 . . . . 19 GLN H . 10288 1 126 . 1 1 19 19 GLN HA H 1 4.062 0.030 . 1 . . . . 19 GLN HA . 10288 1 127 . 1 1 19 19 GLN HB2 H 1 2.156 0.030 . 1 . . . . 19 GLN HB2 . 10288 1 128 . 1 1 19 19 GLN HB3 H 1 2.156 0.030 . 1 . . . . 19 GLN HB3 . 10288 1 129 . 1 1 19 19 GLN HE21 H 1 7.500 0.030 . 2 . . . . 19 GLN HE21 . 10288 1 130 . 1 1 19 19 GLN HE22 H 1 6.856 0.030 . 2 . . . . 19 GLN HE22 . 10288 1 131 . 1 1 19 19 GLN HG2 H 1 2.469 0.030 . 2 . . . . 19 GLN HG2 . 10288 1 132 . 1 1 19 19 GLN HG3 H 1 2.406 0.030 . 2 . . . . 19 GLN HG3 . 10288 1 133 . 1 1 19 19 GLN C C 13 178.488 0.300 . 1 . . . . 19 GLN C . 10288 1 134 . 1 1 19 19 GLN CA C 13 59.248 0.300 . 1 . . . . 19 GLN CA . 10288 1 135 . 1 1 19 19 GLN CB C 13 28.203 0.300 . 1 . . . . 19 GLN CB . 10288 1 136 . 1 1 19 19 GLN CG C 13 33.773 0.300 . 1 . . . . 19 GLN CG . 10288 1 137 . 1 1 19 19 GLN N N 15 116.221 0.300 . 1 . . . . 19 GLN N . 10288 1 138 . 1 1 19 19 GLN NE2 N 15 111.950 0.300 . 1 . . . . 19 GLN NE2 . 10288 1 139 . 1 1 20 20 ILE H H 1 7.246 0.030 . 1 . . . . 20 ILE H . 10288 1 140 . 1 1 20 20 ILE HA H 1 3.570 0.030 . 1 . . . . 20 ILE HA . 10288 1 141 . 1 1 20 20 ILE HB H 1 2.040 0.030 . 1 . . . . 20 ILE HB . 10288 1 142 . 1 1 20 20 ILE HD11 H 1 0.841 0.030 . 1 . . . . 20 ILE HD1 . 10288 1 143 . 1 1 20 20 ILE HD12 H 1 0.841 0.030 . 1 . . . . 20 ILE HD1 . 10288 1 144 . 1 1 20 20 ILE HD13 H 1 0.841 0.030 . 1 . . . . 20 ILE HD1 . 10288 1 145 . 1 1 20 20 ILE HG12 H 1 1.127 0.030 . 2 . . . . 20 ILE HG12 . 10288 1 146 . 1 1 20 20 ILE HG13 H 1 1.692 0.030 . 2 . . . . 20 ILE HG13 . 10288 1 147 . 1 1 20 20 ILE HG21 H 1 0.787 0.030 . 1 . . . . 20 ILE HG2 . 10288 1 148 . 1 1 20 20 ILE HG22 H 1 0.787 0.030 . 1 . . . . 20 ILE HG2 . 10288 1 149 . 1 1 20 20 ILE HG23 H 1 0.787 0.030 . 1 . . . . 20 ILE HG2 . 10288 1 150 . 1 1 20 20 ILE C C 13 178.999 0.300 . 1 . . . . 20 ILE C . 10288 1 151 . 1 1 20 20 ILE CA C 13 64.996 0.300 . 1 . . . . 20 ILE CA . 10288 1 152 . 1 1 20 20 ILE CB C 13 38.139 0.300 . 1 . . . . 20 ILE CB . 10288 1 153 . 1 1 20 20 ILE CD1 C 13 14.632 0.300 . 1 . . . . 20 ILE CD1 . 10288 1 154 . 1 1 20 20 ILE CG1 C 13 29.683 0.300 . 1 . . . . 20 ILE CG1 . 10288 1 155 . 1 1 20 20 ILE CG2 C 13 17.759 0.300 . 1 . . . . 20 ILE CG2 . 10288 1 156 . 1 1 20 20 ILE N N 15 120.521 0.300 . 1 . . . . 20 ILE N . 10288 1 157 . 1 1 21 21 LEU H H 1 8.034 0.030 . 1 . . . . 21 LEU H . 10288 1 158 . 1 1 21 21 LEU HA H 1 3.491 0.030 . 1 . . . . 21 LEU HA . 10288 1 159 . 1 1 21 21 LEU HB2 H 1 -1.248 0.030 . 2 . . . . 21 LEU HB2 . 10288 1 160 . 1 1 21 21 LEU HB3 H 1 0.153 0.030 . 2 . . . . 21 LEU HB3 . 10288 1 161 . 1 1 21 21 LEU HD11 H 1 -1.278 0.030 . 1 . . . . 21 LEU HD1 . 10288 1 162 . 1 1 21 21 LEU HD12 H 1 -1.278 0.030 . 1 . . . . 21 LEU HD1 . 10288 1 163 . 1 1 21 21 LEU HD13 H 1 -1.278 0.030 . 1 . . . . 21 LEU HD1 . 10288 1 164 . 1 1 21 21 LEU HD21 H 1 0.266 0.030 . 1 . . . . 21 LEU HD2 . 10288 1 165 . 1 1 21 21 LEU HD22 H 1 0.266 0.030 . 1 . . . . 21 LEU HD2 . 10288 1 166 . 1 1 21 21 LEU HD23 H 1 0.266 0.030 . 1 . . . . 21 LEU HD2 . 10288 1 167 . 1 1 21 21 LEU HG H 1 1.032 0.030 . 1 . . . . 21 LEU HG . 10288 1 168 . 1 1 21 21 LEU C C 13 178.196 0.300 . 1 . . . . 21 LEU C . 10288 1 169 . 1 1 21 21 LEU CA C 13 57.944 0.300 . 1 . . . . 21 LEU CA . 10288 1 170 . 1 1 21 21 LEU CB C 13 37.864 0.300 . 1 . . . . 21 LEU CB . 10288 1 171 . 1 1 21 21 LEU CD1 C 13 23.337 0.300 . 2 . . . . 21 LEU CD1 . 10288 1 172 . 1 1 21 21 LEU CD2 C 13 22.441 0.300 . 2 . . . . 21 LEU CD2 . 10288 1 173 . 1 1 21 21 LEU CG C 13 25.174 0.300 . 1 . . . . 21 LEU CG . 10288 1 174 . 1 1 21 21 LEU N N 15 121.259 0.300 . 1 . . . . 21 LEU N . 10288 1 175 . 1 1 22 22 TYR H H 1 8.479 0.030 . 1 . . . . 22 TYR H . 10288 1 176 . 1 1 22 22 TYR HA H 1 4.224 0.030 . 1 . . . . 22 TYR HA . 10288 1 177 . 1 1 22 22 TYR HB2 H 1 3.030 0.030 . 2 . . . . 22 TYR HB2 . 10288 1 178 . 1 1 22 22 TYR HB3 H 1 3.127 0.030 . 2 . . . . 22 TYR HB3 . 10288 1 179 . 1 1 22 22 TYR HD1 H 1 7.186 0.030 . 1 . . . . 22 TYR HD1 . 10288 1 180 . 1 1 22 22 TYR HD2 H 1 7.186 0.030 . 1 . . . . 22 TYR HD2 . 10288 1 181 . 1 1 22 22 TYR HE1 H 1 6.739 0.030 . 1 . . . . 22 TYR HE1 . 10288 1 182 . 1 1 22 22 TYR HE2 H 1 6.739 0.030 . 1 . . . . 22 TYR HE2 . 10288 1 183 . 1 1 22 22 TYR C C 13 179.630 0.300 . 1 . . . . 22 TYR C . 10288 1 184 . 1 1 22 22 TYR CA C 13 62.422 0.300 . 1 . . . . 22 TYR CA . 10288 1 185 . 1 1 22 22 TYR CB C 13 37.434 0.300 . 1 . . . . 22 TYR CB . 10288 1 186 . 1 1 22 22 TYR CD1 C 13 133.019 0.300 . 1 . . . . 22 TYR CD1 . 10288 1 187 . 1 1 22 22 TYR CD2 C 13 133.019 0.300 . 1 . . . . 22 TYR CD2 . 10288 1 188 . 1 1 22 22 TYR CE1 C 13 117.963 0.300 . 1 . . . . 22 TYR CE1 . 10288 1 189 . 1 1 22 22 TYR CE2 C 13 117.963 0.300 . 1 . . . . 22 TYR CE2 . 10288 1 190 . 1 1 22 22 TYR N N 15 117.805 0.300 . 1 . . . . 22 TYR N . 10288 1 191 . 1 1 23 23 GLN H H 1 7.707 0.030 . 1 . . . . 23 GLN H . 10288 1 192 . 1 1 23 23 GLN HA H 1 4.166 0.030 . 1 . . . . 23 GLN HA . 10288 1 193 . 1 1 23 23 GLN HB2 H 1 2.124 0.030 . 2 . . . . 23 GLN HB2 . 10288 1 194 . 1 1 23 23 GLN HB3 H 1 2.192 0.030 . 2 . . . . 23 GLN HB3 . 10288 1 195 . 1 1 23 23 GLN HE21 H 1 6.901 0.030 . 2 . . . . 23 GLN HE21 . 10288 1 196 . 1 1 23 23 GLN HE22 H 1 7.482 0.030 . 2 . . . . 23 GLN HE22 . 10288 1 197 . 1 1 23 23 GLN HG2 H 1 2.421 0.030 . 2 . . . . 23 GLN HG2 . 10288 1 198 . 1 1 23 23 GLN HG3 H 1 2.627 0.030 . 2 . . . . 23 GLN HG3 . 10288 1 199 . 1 1 23 23 GLN C C 13 178.633 0.300 . 1 . . . . 23 GLN C . 10288 1 200 . 1 1 23 23 GLN CA C 13 58.789 0.300 . 1 . . . . 23 GLN CA . 10288 1 201 . 1 1 23 23 GLN CB C 13 28.534 0.300 . 1 . . . . 23 GLN CB . 10288 1 202 . 1 1 23 23 GLN CG C 13 34.630 0.300 . 1 . . . . 23 GLN CG . 10288 1 203 . 1 1 23 23 GLN N N 15 117.580 0.300 . 1 . . . . 23 GLN N . 10288 1 204 . 1 1 23 23 GLN NE2 N 15 111.585 0.300 . 1 . . . . 23 GLN NE2 . 10288 1 205 . 1 1 24 24 ALA H H 1 8.155 0.030 . 1 . . . . 24 ALA H . 10288 1 206 . 1 1 24 24 ALA HA H 1 4.187 0.030 . 1 . . . . 24 ALA HA . 10288 1 207 . 1 1 24 24 ALA HB1 H 1 1.761 0.030 . 1 . . . . 24 ALA HB . 10288 1 208 . 1 1 24 24 ALA HB2 H 1 1.761 0.030 . 1 . . . . 24 ALA HB . 10288 1 209 . 1 1 24 24 ALA HB3 H 1 1.761 0.030 . 1 . . . . 24 ALA HB . 10288 1 210 . 1 1 24 24 ALA C C 13 180.018 0.300 . 1 . . . . 24 ALA C . 10288 1 211 . 1 1 24 24 ALA CA C 13 55.228 0.300 . 1 . . . . 24 ALA CA . 10288 1 212 . 1 1 24 24 ALA CB C 13 19.468 0.300 . 1 . . . . 24 ALA CB . 10288 1 213 . 1 1 24 24 ALA N N 15 122.813 0.300 . 1 . . . . 24 ALA N . 10288 1 214 . 1 1 25 25 TYR H H 1 8.995 0.030 . 1 . . . . 25 TYR H . 10288 1 215 . 1 1 25 25 TYR HA H 1 4.348 0.030 . 1 . . . . 25 TYR HA . 10288 1 216 . 1 1 25 25 TYR HB2 H 1 3.206 0.030 . 2 . . . . 25 TYR HB2 . 10288 1 217 . 1 1 25 25 TYR HB3 H 1 3.147 0.030 . 2 . . . . 25 TYR HB3 . 10288 1 218 . 1 1 25 25 TYR HD1 H 1 7.232 0.030 . 1 . . . . 25 TYR HD1 . 10288 1 219 . 1 1 25 25 TYR HD2 H 1 7.232 0.030 . 1 . . . . 25 TYR HD2 . 10288 1 220 . 1 1 25 25 TYR HE1 H 1 6.834 0.030 . 1 . . . . 25 TYR HE1 . 10288 1 221 . 1 1 25 25 TYR HE2 H 1 6.834 0.030 . 1 . . . . 25 TYR HE2 . 10288 1 222 . 1 1 25 25 TYR C C 13 175.792 0.300 . 1 . . . . 25 TYR C . 10288 1 223 . 1 1 25 25 TYR CA C 13 61.681 0.300 . 1 . . . . 25 TYR CA . 10288 1 224 . 1 1 25 25 TYR CB C 13 38.175 0.300 . 1 . . . . 25 TYR CB . 10288 1 225 . 1 1 25 25 TYR CD1 C 13 133.560 0.300 . 1 . . . . 25 TYR CD1 . 10288 1 226 . 1 1 25 25 TYR CD2 C 13 133.560 0.300 . 1 . . . . 25 TYR CD2 . 10288 1 227 . 1 1 25 25 TYR CE1 C 13 117.898 0.300 . 1 . . . . 25 TYR CE1 . 10288 1 228 . 1 1 25 25 TYR CE2 C 13 117.898 0.300 . 1 . . . . 25 TYR CE2 . 10288 1 229 . 1 1 25 25 TYR N N 15 121.343 0.300 . 1 . . . . 25 TYR N . 10288 1 230 . 1 1 26 26 ASP H H 1 7.260 0.030 . 1 . . . . 26 ASP H . 10288 1 231 . 1 1 26 26 ASP HA H 1 4.373 0.030 . 1 . . . . 26 ASP HA . 10288 1 232 . 1 1 26 26 ASP HB2 H 1 2.762 0.030 . 2 . . . . 26 ASP HB2 . 10288 1 233 . 1 1 26 26 ASP HB3 H 1 2.701 0.030 . 2 . . . . 26 ASP HB3 . 10288 1 234 . 1 1 26 26 ASP C C 13 177.322 0.300 . 1 . . . . 26 ASP C . 10288 1 235 . 1 1 26 26 ASP CA C 13 56.603 0.300 . 1 . . . . 26 ASP CA . 10288 1 236 . 1 1 26 26 ASP CB C 13 41.060 0.300 . 1 . . . . 26 ASP CB . 10288 1 237 . 1 1 26 26 ASP N N 15 114.020 0.300 . 1 . . . . 26 ASP N . 10288 1 238 . 1 1 27 27 ARG H H 1 7.343 0.030 . 1 . . . . 27 ARG H . 10288 1 239 . 1 1 27 27 ARG HA H 1 4.302 0.030 . 1 . . . . 27 ARG HA . 10288 1 240 . 1 1 27 27 ARG HB2 H 1 1.897 0.030 . 2 . . . . 27 ARG HB2 . 10288 1 241 . 1 1 27 27 ARG HB3 H 1 1.945 0.030 . 2 . . . . 27 ARG HB3 . 10288 1 242 . 1 1 27 27 ARG HD2 H 1 3.222 0.030 . 2 . . . . 27 ARG HD2 . 10288 1 243 . 1 1 27 27 ARG HD3 H 1 3.263 0.030 . 2 . . . . 27 ARG HD3 . 10288 1 244 . 1 1 27 27 ARG HG2 H 1 1.636 0.030 . 2 . . . . 27 ARG HG2 . 10288 1 245 . 1 1 27 27 ARG HG3 H 1 1.766 0.030 . 2 . . . . 27 ARG HG3 . 10288 1 246 . 1 1 27 27 ARG C C 13 176.546 0.300 . 1 . . . . 27 ARG C . 10288 1 247 . 1 1 27 27 ARG CA C 13 57.563 0.300 . 1 . . . . 27 ARG CA . 10288 1 248 . 1 1 27 27 ARG CB C 13 31.500 0.300 . 1 . . . . 27 ARG CB . 10288 1 249 . 1 1 27 27 ARG CD C 13 43.489 0.300 . 1 . . . . 27 ARG CD . 10288 1 250 . 1 1 27 27 ARG CG C 13 27.517 0.300 . 1 . . . . 27 ARG CG . 10288 1 251 . 1 1 27 27 ARG N N 15 116.729 0.300 . 1 . . . . 27 ARG N . 10288 1 252 . 1 1 28 28 GLN H H 1 8.306 0.030 . 1 . . . . 28 GLN H . 10288 1 253 . 1 1 28 28 GLN HA H 1 4.396 0.030 . 1 . . . . 28 GLN HA . 10288 1 254 . 1 1 28 28 GLN HB2 H 1 1.848 0.030 . 2 . . . . 28 GLN HB2 . 10288 1 255 . 1 1 28 28 GLN HB3 H 1 2.056 0.030 . 2 . . . . 28 GLN HB3 . 10288 1 256 . 1 1 28 28 GLN HE21 H 1 8.057 0.030 . 2 . . . . 28 GLN HE21 . 10288 1 257 . 1 1 28 28 GLN HE22 H 1 6.724 0.030 . 2 . . . . 28 GLN HE22 . 10288 1 258 . 1 1 28 28 GLN HG2 H 1 2.554 0.030 . 2 . . . . 28 GLN HG2 . 10288 1 259 . 1 1 28 28 GLN HG3 H 1 1.430 0.030 . 2 . . . . 28 GLN HG3 . 10288 1 260 . 1 1 28 28 GLN C C 13 172.831 0.300 . 1 . . . . 28 GLN C . 10288 1 261 . 1 1 28 28 GLN CA C 13 55.355 0.300 . 1 . . . . 28 GLN CA . 10288 1 262 . 1 1 28 28 GLN CB C 13 31.062 0.300 . 1 . . . . 28 GLN CB . 10288 1 263 . 1 1 28 28 GLN CG C 13 33.978 0.300 . 1 . . . . 28 GLN CG . 10288 1 264 . 1 1 28 28 GLN N N 15 121.612 0.300 . 1 . . . . 28 GLN N . 10288 1 265 . 1 1 28 28 GLN NE2 N 15 111.988 0.300 . 1 . . . . 28 GLN NE2 . 10288 1 266 . 1 1 29 29 LYS H H 1 8.354 0.030 . 1 . . . . 29 LYS H . 10288 1 267 . 1 1 29 29 LYS HA H 1 4.099 0.030 . 1 . . . . 29 LYS HA . 10288 1 268 . 1 1 29 29 LYS HB2 H 1 1.574 0.030 . 2 . . . . 29 LYS HB2 . 10288 1 269 . 1 1 29 29 LYS HB3 H 1 1.519 0.030 . 2 . . . . 29 LYS HB3 . 10288 1 270 . 1 1 29 29 LYS HD2 H 1 1.442 0.030 . 2 . . . . 29 LYS HD2 . 10288 1 271 . 1 1 29 29 LYS HD3 H 1 1.535 0.030 . 2 . . . . 29 LYS HD3 . 10288 1 272 . 1 1 29 29 LYS HE2 H 1 2.872 0.030 . 1 . . . . 29 LYS HE2 . 10288 1 273 . 1 1 29 29 LYS HE3 H 1 2.872 0.030 . 1 . . . . 29 LYS HE3 . 10288 1 274 . 1 1 29 29 LYS HG2 H 1 1.148 0.030 . 2 . . . . 29 LYS HG2 . 10288 1 275 . 1 1 29 29 LYS HG3 H 1 0.543 0.030 . 2 . . . . 29 LYS HG3 . 10288 1 276 . 1 1 29 29 LYS C C 13 176.084 0.300 . 1 . . . . 29 LYS C . 10288 1 277 . 1 1 29 29 LYS CA C 13 57.873 0.300 . 1 . . . . 29 LYS CA . 10288 1 278 . 1 1 29 29 LYS CB C 13 33.313 0.300 . 1 . . . . 29 LYS CB . 10288 1 279 . 1 1 29 29 LYS CD C 13 29.323 0.300 . 1 . . . . 29 LYS CD . 10288 1 280 . 1 1 29 29 LYS CE C 13 42.417 0.300 . 1 . . . . 29 LYS CE . 10288 1 281 . 1 1 29 29 LYS CG C 13 25.047 0.300 . 1 . . . . 29 LYS CG . 10288 1 282 . 1 1 29 29 LYS N N 15 125.038 0.300 . 1 . . . . 29 LYS N . 10288 1 283 . 1 1 30 30 ASN H H 1 8.856 0.030 . 1 . . . . 30 ASN H . 10288 1 284 . 1 1 30 30 ASN HA H 1 4.958 0.030 . 1 . . . . 30 ASN HA . 10288 1 285 . 1 1 30 30 ASN HB2 H 1 2.376 0.030 . 2 . . . . 30 ASN HB2 . 10288 1 286 . 1 1 30 30 ASN HB3 H 1 2.653 0.030 . 2 . . . . 30 ASN HB3 . 10288 1 287 . 1 1 30 30 ASN HD21 H 1 7.733 0.030 . 2 . . . . 30 ASN HD21 . 10288 1 288 . 1 1 30 30 ASN HD22 H 1 6.800 0.030 . 2 . . . . 30 ASN HD22 . 10288 1 289 . 1 1 30 30 ASN C C 13 171.179 0.300 . 1 . . . . 30 ASN C . 10288 1 290 . 1 1 30 30 ASN CA C 13 50.891 0.300 . 1 . . . . 30 ASN CA . 10288 1 291 . 1 1 30 30 ASN CB C 13 39.907 0.300 . 1 . . . . 30 ASN CB . 10288 1 292 . 1 1 30 30 ASN N N 15 115.764 0.300 . 1 . . . . 30 ASN N . 10288 1 293 . 1 1 30 30 ASN ND2 N 15 113.665 0.300 . 1 . . . . 30 ASN ND2 . 10288 1 294 . 1 1 31 31 PRO HA H 1 4.299 0.030 . 1 . . . . 31 PRO HA . 10288 1 295 . 1 1 31 31 PRO HB2 H 1 1.560 0.030 . 2 . . . . 31 PRO HB2 . 10288 1 296 . 1 1 31 31 PRO HB3 H 1 1.686 0.030 . 2 . . . . 31 PRO HB3 . 10288 1 297 . 1 1 31 31 PRO HD2 H 1 2.837 0.030 . 2 . . . . 31 PRO HD2 . 10288 1 298 . 1 1 31 31 PRO HD3 H 1 3.039 0.030 . 2 . . . . 31 PRO HD3 . 10288 1 299 . 1 1 31 31 PRO HG2 H 1 0.990 0.030 . 2 . . . . 31 PRO HG2 . 10288 1 300 . 1 1 31 31 PRO HG3 H 1 -0.107 0.030 . 2 . . . . 31 PRO HG3 . 10288 1 301 . 1 1 31 31 PRO C C 13 177.493 0.300 . 1 . . . . 31 PRO C . 10288 1 302 . 1 1 31 31 PRO CA C 13 62.489 0.300 . 1 . . . . 31 PRO CA . 10288 1 303 . 1 1 31 31 PRO CB C 13 31.216 0.300 . 1 . . . . 31 PRO CB . 10288 1 304 . 1 1 31 31 PRO CD C 13 51.410 0.300 . 1 . . . . 31 PRO CD . 10288 1 305 . 1 1 31 31 PRO CG C 13 25.817 0.300 . 1 . . . . 31 PRO CG . 10288 1 306 . 1 1 32 32 SER H H 1 9.368 0.030 . 1 . . . . 32 SER H . 10288 1 307 . 1 1 32 32 SER HA H 1 4.372 0.030 . 1 . . . . 32 SER HA . 10288 1 308 . 1 1 32 32 SER HB2 H 1 4.068 0.030 . 2 . . . . 32 SER HB2 . 10288 1 309 . 1 1 32 32 SER HB3 H 1 4.377 0.030 . 2 . . . . 32 SER HB3 . 10288 1 310 . 1 1 32 32 SER C C 13 174.821 0.300 . 1 . . . . 32 SER C . 10288 1 311 . 1 1 32 32 SER CA C 13 57.203 0.300 . 1 . . . . 32 SER CA . 10288 1 312 . 1 1 32 32 SER CB C 13 65.594 0.300 . 1 . . . . 32 SER CB . 10288 1 313 . 1 1 32 32 SER N N 15 120.847 0.300 . 1 . . . . 32 SER N . 10288 1 314 . 1 1 33 33 LYS H H 1 9.152 0.030 . 1 . . . . 33 LYS H . 10288 1 315 . 1 1 33 33 LYS HA H 1 3.719 0.030 . 1 . . . . 33 LYS HA . 10288 1 316 . 1 1 33 33 LYS HB2 H 1 1.849 0.030 . 1 . . . . 33 LYS HB2 . 10288 1 317 . 1 1 33 33 LYS HB3 H 1 1.849 0.030 . 1 . . . . 33 LYS HB3 . 10288 1 318 . 1 1 33 33 LYS HD2 H 1 1.600 0.030 . 2 . . . . 33 LYS HD2 . 10288 1 319 . 1 1 33 33 LYS HD3 H 1 1.665 0.030 . 2 . . . . 33 LYS HD3 . 10288 1 320 . 1 1 33 33 LYS HE2 H 1 2.910 0.030 . 1 . . . . 33 LYS HE2 . 10288 1 321 . 1 1 33 33 LYS HE3 H 1 2.910 0.030 . 1 . . . . 33 LYS HE3 . 10288 1 322 . 1 1 33 33 LYS HG2 H 1 1.285 0.030 . 2 . . . . 33 LYS HG2 . 10288 1 323 . 1 1 33 33 LYS HG3 H 1 1.369 0.030 . 2 . . . . 33 LYS HG3 . 10288 1 324 . 1 1 33 33 LYS C C 13 177.833 0.300 . 1 . . . . 33 LYS C . 10288 1 325 . 1 1 33 33 LYS CA C 13 61.188 0.300 . 1 . . . . 33 LYS CA . 10288 1 326 . 1 1 33 33 LYS CB C 13 32.572 0.300 . 1 . . . . 33 LYS CB . 10288 1 327 . 1 1 33 33 LYS CD C 13 29.492 0.300 . 1 . . . . 33 LYS CD . 10288 1 328 . 1 1 33 33 LYS CE C 13 42.170 0.300 . 1 . . . . 33 LYS CE . 10288 1 329 . 1 1 33 33 LYS CG C 13 24.718 0.300 . 1 . . . . 33 LYS CG . 10288 1 330 . 1 1 33 33 LYS N N 15 122.966 0.300 . 1 . . . . 33 LYS N . 10288 1 331 . 1 1 34 34 GLU H H 1 8.902 0.030 . 1 . . . . 34 GLU H . 10288 1 332 . 1 1 34 34 GLU HA H 1 4.089 0.030 . 1 . . . . 34 GLU HA . 10288 1 333 . 1 1 34 34 GLU HB2 H 1 2.033 0.030 . 2 . . . . 34 GLU HB2 . 10288 1 334 . 1 1 34 34 GLU HB3 H 1 1.929 0.030 . 2 . . . . 34 GLU HB3 . 10288 1 335 . 1 1 34 34 GLU HG2 H 1 2.283 0.030 . 2 . . . . 34 GLU HG2 . 10288 1 336 . 1 1 34 34 GLU HG3 H 1 2.437 0.030 . 2 . . . . 34 GLU HG3 . 10288 1 337 . 1 1 34 34 GLU C C 13 180.286 0.300 . 1 . . . . 34 GLU C . 10288 1 338 . 1 1 34 34 GLU CA C 13 60.483 0.300 . 1 . . . . 34 GLU CA . 10288 1 339 . 1 1 34 34 GLU CB C 13 28.835 0.300 . 1 . . . . 34 GLU CB . 10288 1 340 . 1 1 34 34 GLU CG C 13 37.150 0.300 . 1 . . . . 34 GLU CG . 10288 1 341 . 1 1 34 34 GLU N N 15 117.645 0.300 . 1 . . . . 34 GLU N . 10288 1 342 . 1 1 35 35 GLU H H 1 7.673 0.030 . 1 . . . . 35 GLU H . 10288 1 343 . 1 1 35 35 GLU HA H 1 4.023 0.030 . 1 . . . . 35 GLU HA . 10288 1 344 . 1 1 35 35 GLU HB2 H 1 2.246 0.030 . 2 . . . . 35 GLU HB2 . 10288 1 345 . 1 1 35 35 GLU HB3 H 1 1.829 0.030 . 2 . . . . 35 GLU HB3 . 10288 1 346 . 1 1 35 35 GLU HG2 H 1 2.313 0.030 . 2 . . . . 35 GLU HG2 . 10288 1 347 . 1 1 35 35 GLU HG3 H 1 2.209 0.030 . 2 . . . . 35 GLU HG3 . 10288 1 348 . 1 1 35 35 GLU C C 13 180.237 0.300 . 1 . . . . 35 GLU C . 10288 1 349 . 1 1 35 35 GLU CA C 13 59.214 0.300 . 1 . . . . 35 GLU CA . 10288 1 350 . 1 1 35 35 GLU CB C 13 30.099 0.300 . 1 . . . . 35 GLU CB . 10288 1 351 . 1 1 35 35 GLU CG C 13 37.831 0.300 . 1 . . . . 35 GLU CG . 10288 1 352 . 1 1 35 35 GLU N N 15 121.077 0.300 . 1 . . . . 35 GLU N . 10288 1 353 . 1 1 36 36 ARG H H 1 8.932 0.030 . 1 . . . . 36 ARG H . 10288 1 354 . 1 1 36 36 ARG HA H 1 3.928 0.030 . 1 . . . . 36 ARG HA . 10288 1 355 . 1 1 36 36 ARG HB2 H 1 2.532 0.030 . 2 . . . . 36 ARG HB2 . 10288 1 356 . 1 1 36 36 ARG HB3 H 1 1.578 0.030 . 2 . . . . 36 ARG HB3 . 10288 1 357 . 1 1 36 36 ARG HD2 H 1 3.064 0.030 . 2 . . . . 36 ARG HD2 . 10288 1 358 . 1 1 36 36 ARG HD3 H 1 3.443 0.030 . 2 . . . . 36 ARG HD3 . 10288 1 359 . 1 1 36 36 ARG HE H 1 9.494 0.030 . 1 . . . . 36 ARG HE . 10288 1 360 . 1 1 36 36 ARG HG2 H 1 2.172 0.030 . 2 . . . . 36 ARG HG2 . 10288 1 361 . 1 1 36 36 ARG HG3 H 1 0.765 0.030 . 2 . . . . 36 ARG HG3 . 10288 1 362 . 1 1 36 36 ARG C C 13 178.464 0.300 . 1 . . . . 36 ARG C . 10288 1 363 . 1 1 36 36 ARG CA C 13 60.974 0.300 . 1 . . . . 36 ARG CA . 10288 1 364 . 1 1 36 36 ARG CB C 13 31.171 0.300 . 1 . . . . 36 ARG CB . 10288 1 365 . 1 1 36 36 ARG CD C 13 43.719 0.300 . 1 . . . . 36 ARG CD . 10288 1 366 . 1 1 36 36 ARG CG C 13 29.837 0.300 . 1 . . . . 36 ARG CG . 10288 1 367 . 1 1 36 36 ARG N N 15 119.441 0.300 . 1 . . . . 36 ARG N . 10288 1 368 . 1 1 36 36 ARG NE N 15 96.924 0.300 . 1 . . . . 36 ARG NE . 10288 1 369 . 1 1 37 37 GLU H H 1 8.756 0.030 . 1 . . . . 37 GLU H . 10288 1 370 . 1 1 37 37 GLU HA H 1 3.948 0.030 . 1 . . . . 37 GLU HA . 10288 1 371 . 1 1 37 37 GLU HB2 H 1 2.043 0.030 . 2 . . . . 37 GLU HB2 . 10288 1 372 . 1 1 37 37 GLU HB3 H 1 2.208 0.030 . 2 . . . . 37 GLU HB3 . 10288 1 373 . 1 1 37 37 GLU HG2 H 1 2.579 0.030 . 2 . . . . 37 GLU HG2 . 10288 1 374 . 1 1 37 37 GLU HG3 H 1 2.253 0.030 . 2 . . . . 37 GLU HG3 . 10288 1 375 . 1 1 37 37 GLU C C 13 179.606 0.300 . 1 . . . . 37 GLU C . 10288 1 376 . 1 1 37 37 GLU CA C 13 60.094 0.300 . 1 . . . . 37 GLU CA . 10288 1 377 . 1 1 37 37 GLU CB C 13 29.110 0.300 . 1 . . . . 37 GLU CB . 10288 1 378 . 1 1 37 37 GLU CG C 13 37.033 0.300 . 1 . . . . 37 GLU CG . 10288 1 379 . 1 1 37 37 GLU N N 15 119.017 0.300 . 1 . . . . 37 GLU N . 10288 1 380 . 1 1 38 38 ALA H H 1 7.733 0.030 . 1 . . . . 38 ALA H . 10288 1 381 . 1 1 38 38 ALA HA H 1 4.325 0.030 . 1 . . . . 38 ALA HA . 10288 1 382 . 1 1 38 38 ALA HB1 H 1 1.544 0.030 . 1 . . . . 38 ALA HB . 10288 1 383 . 1 1 38 38 ALA HB2 H 1 1.544 0.030 . 1 . . . . 38 ALA HB . 10288 1 384 . 1 1 38 38 ALA HB3 H 1 1.544 0.030 . 1 . . . . 38 ALA HB . 10288 1 385 . 1 1 38 38 ALA C C 13 180.820 0.300 . 1 . . . . 38 ALA C . 10288 1 386 . 1 1 38 38 ALA CA C 13 55.194 0.300 . 1 . . . . 38 ALA CA . 10288 1 387 . 1 1 38 38 ALA CB C 13 17.654 0.300 . 1 . . . . 38 ALA CB . 10288 1 388 . 1 1 38 38 ALA N N 15 122.889 0.300 . 1 . . . . 38 ALA N . 10288 1 389 . 1 1 39 39 LEU H H 1 7.740 0.030 . 1 . . . . 39 LEU H . 10288 1 390 . 1 1 39 39 LEU HA H 1 4.176 0.030 . 1 . . . . 39 LEU HA . 10288 1 391 . 1 1 39 39 LEU HB2 H 1 1.219 0.030 . 2 . . . . 39 LEU HB2 . 10288 1 392 . 1 1 39 39 LEU HB3 H 1 2.252 0.030 . 2 . . . . 39 LEU HB3 . 10288 1 393 . 1 1 39 39 LEU HD11 H 1 0.840 0.030 . 1 . . . . 39 LEU HD1 . 10288 1 394 . 1 1 39 39 LEU HD12 H 1 0.840 0.030 . 1 . . . . 39 LEU HD1 . 10288 1 395 . 1 1 39 39 LEU HD13 H 1 0.840 0.030 . 1 . . . . 39 LEU HD1 . 10288 1 396 . 1 1 39 39 LEU HD21 H 1 0.826 0.030 . 1 . . . . 39 LEU HD2 . 10288 1 397 . 1 1 39 39 LEU HD22 H 1 0.826 0.030 . 1 . . . . 39 LEU HD2 . 10288 1 398 . 1 1 39 39 LEU HD23 H 1 0.826 0.030 . 1 . . . . 39 LEU HD2 . 10288 1 399 . 1 1 39 39 LEU HG H 1 1.906 0.030 . 1 . . . . 39 LEU HG . 10288 1 400 . 1 1 39 39 LEU C C 13 179.266 0.300 . 1 . . . . 39 LEU C . 10288 1 401 . 1 1 39 39 LEU CA C 13 57.944 0.300 . 1 . . . . 39 LEU CA . 10288 1 402 . 1 1 39 39 LEU CB C 13 42.105 0.300 . 1 . . . . 39 LEU CB . 10288 1 403 . 1 1 39 39 LEU CD1 C 13 26.224 0.300 . 2 . . . . 39 LEU CD1 . 10288 1 404 . 1 1 39 39 LEU CD2 C 13 23.424 0.300 . 2 . . . . 39 LEU CD2 . 10288 1 405 . 1 1 39 39 LEU CG C 13 26.892 0.300 . 1 . . . . 39 LEU CG . 10288 1 406 . 1 1 39 39 LEU N N 15 119.783 0.300 . 1 . . . . 39 LEU N . 10288 1 407 . 1 1 40 40 VAL H H 1 8.451 0.030 . 1 . . . . 40 VAL H . 10288 1 408 . 1 1 40 40 VAL HA H 1 3.259 0.030 . 1 . . . . 40 VAL HA . 10288 1 409 . 1 1 40 40 VAL HB H 1 2.491 0.030 . 1 . . . . 40 VAL HB . 10288 1 410 . 1 1 40 40 VAL HG11 H 1 0.821 0.030 . 1 . . . . 40 VAL HG1 . 10288 1 411 . 1 1 40 40 VAL HG12 H 1 0.821 0.030 . 1 . . . . 40 VAL HG1 . 10288 1 412 . 1 1 40 40 VAL HG13 H 1 0.821 0.030 . 1 . . . . 40 VAL HG1 . 10288 1 413 . 1 1 40 40 VAL HG21 H 1 0.981 0.030 . 1 . . . . 40 VAL HG2 . 10288 1 414 . 1 1 40 40 VAL HG22 H 1 0.981 0.030 . 1 . . . . 40 VAL HG2 . 10288 1 415 . 1 1 40 40 VAL HG23 H 1 0.981 0.030 . 1 . . . . 40 VAL HG2 . 10288 1 416 . 1 1 40 40 VAL C C 13 177.153 0.300 . 1 . . . . 40 VAL C . 10288 1 417 . 1 1 40 40 VAL CA C 13 67.254 0.300 . 1 . . . . 40 VAL CA . 10288 1 418 . 1 1 40 40 VAL CB C 13 31.747 0.300 . 1 . . . . 40 VAL CB . 10288 1 419 . 1 1 40 40 VAL CG1 C 13 21.808 0.300 . 2 . . . . 40 VAL CG1 . 10288 1 420 . 1 1 40 40 VAL CG2 C 13 23.160 0.300 . 2 . . . . 40 VAL CG2 . 10288 1 421 . 1 1 40 40 VAL N N 15 121.481 0.300 . 1 . . . . 40 VAL N . 10288 1 422 . 1 1 41 41 GLU H H 1 7.254 0.030 . 1 . . . . 41 GLU H . 10288 1 423 . 1 1 41 41 GLU HA H 1 4.159 0.030 . 1 . . . . 41 GLU HA . 10288 1 424 . 1 1 41 41 GLU HB2 H 1 2.187 0.030 . 1 . . . . 41 GLU HB2 . 10288 1 425 . 1 1 41 41 GLU HB3 H 1 2.187 0.030 . 1 . . . . 41 GLU HB3 . 10288 1 426 . 1 1 41 41 GLU HG2 H 1 2.346 0.030 . 2 . . . . 41 GLU HG2 . 10288 1 427 . 1 1 41 41 GLU HG3 H 1 2.433 0.030 . 2 . . . . 41 GLU HG3 . 10288 1 428 . 1 1 41 41 GLU C C 13 179.483 0.300 . 1 . . . . 41 GLU C . 10288 1 429 . 1 1 41 41 GLU CA C 13 59.248 0.300 . 1 . . . . 41 GLU CA . 10288 1 430 . 1 1 41 41 GLU CB C 13 29.358 0.300 . 1 . . . . 41 GLU CB . 10288 1 431 . 1 1 41 41 GLU CG C 13 35.953 0.300 . 1 . . . . 41 GLU CG . 10288 1 432 . 1 1 41 41 GLU N N 15 116.549 0.300 . 1 . . . . 41 GLU N . 10288 1 433 . 1 1 42 42 GLU H H 1 8.103 0.030 . 1 . . . . 42 GLU H . 10288 1 434 . 1 1 42 42 GLU HA H 1 4.020 0.030 . 1 . . . . 42 GLU HA . 10288 1 435 . 1 1 42 42 GLU HB2 H 1 2.198 0.030 . 1 . . . . 42 GLU HB2 . 10288 1 436 . 1 1 42 42 GLU HB3 H 1 2.198 0.030 . 1 . . . . 42 GLU HB3 . 10288 1 437 . 1 1 42 42 GLU HG2 H 1 2.348 0.030 . 2 . . . . 42 GLU HG2 . 10288 1 438 . 1 1 42 42 GLU HG3 H 1 2.463 0.030 . 2 . . . . 42 GLU HG3 . 10288 1 439 . 1 1 42 42 GLU C C 13 180.115 0.300 . 1 . . . . 42 GLU C . 10288 1 440 . 1 1 42 42 GLU CA C 13 59.847 0.300 . 1 . . . . 42 GLU CA . 10288 1 441 . 1 1 42 42 GLU CB C 13 30.218 0.300 . 1 . . . . 42 GLU CB . 10288 1 442 . 1 1 42 42 GLU CG C 13 36.161 0.300 . 1 . . . . 42 GLU CG . 10288 1 443 . 1 1 42 42 GLU N N 15 119.578 0.300 . 1 . . . . 42 GLU N . 10288 1 444 . 1 1 43 43 CYS H H 1 8.955 0.030 . 1 . . . . 43 CYS H . 10288 1 445 . 1 1 43 43 CYS HA H 1 4.153 0.030 . 1 . . . . 43 CYS HA . 10288 1 446 . 1 1 43 43 CYS HB2 H 1 3.081 0.030 . 2 . . . . 43 CYS HB2 . 10288 1 447 . 1 1 43 43 CYS HB3 H 1 3.450 0.030 . 2 . . . . 43 CYS HB3 . 10288 1 448 . 1 1 43 43 CYS C C 13 176.498 0.300 . 1 . . . . 43 CYS C . 10288 1 449 . 1 1 43 43 CYS CA C 13 64.856 0.300 . 1 . . . . 43 CYS CA . 10288 1 450 . 1 1 43 43 CYS CB C 13 27.390 0.300 . 1 . . . . 43 CYS CB . 10288 1 451 . 1 1 43 43 CYS N N 15 118.199 0.300 . 1 . . . . 43 CYS N . 10288 1 452 . 1 1 44 44 ASN H H 1 8.543 0.030 . 1 . . . . 44 ASN H . 10288 1 453 . 1 1 44 44 ASN HA H 1 4.635 0.030 . 1 . . . . 44 ASN HA . 10288 1 454 . 1 1 44 44 ASN HB2 H 1 2.535 0.030 . 2 . . . . 44 ASN HB2 . 10288 1 455 . 1 1 44 44 ASN HB3 H 1 2.821 0.030 . 2 . . . . 44 ASN HB3 . 10288 1 456 . 1 1 44 44 ASN HD21 H 1 7.533 0.030 . 2 . . . . 44 ASN HD21 . 10288 1 457 . 1 1 44 44 ASN HD22 H 1 7.078 0.030 . 2 . . . . 44 ASN HD22 . 10288 1 458 . 1 1 44 44 ASN C C 13 178.633 0.300 . 1 . . . . 44 ASN C . 10288 1 459 . 1 1 44 44 ASN CA C 13 56.603 0.300 . 1 . . . . 44 ASN CA . 10288 1 460 . 1 1 44 44 ASN CB C 13 37.187 0.300 . 1 . . . . 44 ASN CB . 10288 1 461 . 1 1 44 44 ASN N N 15 117.002 0.300 . 1 . . . . 44 ASN N . 10288 1 462 . 1 1 44 44 ASN ND2 N 15 112.555 0.300 . 1 . . . . 44 ASN ND2 . 10288 1 463 . 1 1 45 45 ARG H H 1 8.296 0.030 . 1 . . . . 45 ARG H . 10288 1 464 . 1 1 45 45 ARG HA H 1 3.977 0.030 . 1 . . . . 45 ARG HA . 10288 1 465 . 1 1 45 45 ARG HB2 H 1 2.005 0.030 . 2 . . . . 45 ARG HB2 . 10288 1 466 . 1 1 45 45 ARG HB3 H 1 1.934 0.030 . 2 . . . . 45 ARG HB3 . 10288 1 467 . 1 1 45 45 ARG HD2 H 1 3.259 0.030 . 1 . . . . 45 ARG HD2 . 10288 1 468 . 1 1 45 45 ARG HD3 H 1 3.259 0.030 . 1 . . . . 45 ARG HD3 . 10288 1 469 . 1 1 45 45 ARG HG2 H 1 1.742 0.030 . 2 . . . . 45 ARG HG2 . 10288 1 470 . 1 1 45 45 ARG HG3 H 1 1.598 0.030 . 2 . . . . 45 ARG HG3 . 10288 1 471 . 1 1 45 45 ARG C C 13 178.149 0.300 . 1 . . . . 45 ARG C . 10288 1 472 . 1 1 45 45 ARG CA C 13 60.589 0.300 . 1 . . . . 45 ARG CA . 10288 1 473 . 1 1 45 45 ARG CB C 13 30.099 0.300 . 1 . . . . 45 ARG CB . 10288 1 474 . 1 1 45 45 ARG CD C 13 43.577 0.300 . 1 . . . . 45 ARG CD . 10288 1 475 . 1 1 45 45 ARG CG C 13 27.928 0.300 . 1 . . . . 45 ARG CG . 10288 1 476 . 1 1 45 45 ARG N N 15 121.021 0.300 . 1 . . . . 45 ARG N . 10288 1 477 . 1 1 46 46 ALA H H 1 7.914 0.030 . 1 . . . . 46 ALA H . 10288 1 478 . 1 1 46 46 ALA HA H 1 4.128 0.030 . 1 . . . . 46 ALA HA . 10288 1 479 . 1 1 46 46 ALA HB1 H 1 1.516 0.030 . 1 . . . . 46 ALA HB . 10288 1 480 . 1 1 46 46 ALA HB2 H 1 1.516 0.030 . 1 . . . . 46 ALA HB . 10288 1 481 . 1 1 46 46 ALA HB3 H 1 1.516 0.030 . 1 . . . . 46 ALA HB . 10288 1 482 . 1 1 46 46 ALA C C 13 181.208 0.300 . 1 . . . . 46 ALA C . 10288 1 483 . 1 1 46 46 ALA CA C 13 55.264 0.300 . 1 . . . . 46 ALA CA . 10288 1 484 . 1 1 46 46 ALA CB C 13 18.759 0.300 . 1 . . . . 46 ALA CB . 10288 1 485 . 1 1 46 46 ALA N N 15 121.570 0.300 . 1 . . . . 46 ALA N . 10288 1 486 . 1 1 47 47 GLU H H 1 8.730 0.030 . 1 . . . . 47 GLU H . 10288 1 487 . 1 1 47 47 GLU HA H 1 4.194 0.030 . 1 . . . . 47 GLU HA . 10288 1 488 . 1 1 47 47 GLU HB2 H 1 2.162 0.030 . 1 . . . . 47 GLU HB2 . 10288 1 489 . 1 1 47 47 GLU HB3 H 1 2.162 0.030 . 1 . . . . 47 GLU HB3 . 10288 1 490 . 1 1 47 47 GLU HG2 H 1 2.775 0.030 . 2 . . . . 47 GLU HG2 . 10288 1 491 . 1 1 47 47 GLU HG3 H 1 2.402 0.030 . 2 . . . . 47 GLU HG3 . 10288 1 492 . 1 1 47 47 GLU C C 13 180.115 0.300 . 1 . . . . 47 GLU C . 10288 1 493 . 1 1 47 47 GLU CA C 13 58.401 0.300 . 1 . . . . 47 GLU CA . 10288 1 494 . 1 1 47 47 GLU CB C 13 29.523 0.300 . 1 . . . . 47 GLU CB . 10288 1 495 . 1 1 47 47 GLU CG C 13 34.908 0.300 . 1 . . . . 47 GLU CG . 10288 1 496 . 1 1 47 47 GLU N N 15 117.532 0.300 . 1 . . . . 47 GLU N . 10288 1 497 . 1 1 48 48 CYS H H 1 8.283 0.030 . 1 . . . . 48 CYS H . 10288 1 498 . 1 1 48 48 CYS HA H 1 4.002 0.030 . 1 . . . . 48 CYS HA . 10288 1 499 . 1 1 48 48 CYS HB2 H 1 3.010 0.030 . 2 . . . . 48 CYS HB2 . 10288 1 500 . 1 1 48 48 CYS HB3 H 1 3.091 0.030 . 2 . . . . 48 CYS HB3 . 10288 1 501 . 1 1 48 48 CYS C C 13 177.031 0.300 . 1 . . . . 48 CYS C . 10288 1 502 . 1 1 48 48 CYS CA C 13 64.749 0.300 . 1 . . . . 48 CYS CA . 10288 1 503 . 1 1 48 48 CYS CB C 13 25.907 0.300 . 1 . . . . 48 CYS CB . 10288 1 504 . 1 1 48 48 CYS N N 15 118.282 0.300 . 1 . . . . 48 CYS N . 10288 1 505 . 1 1 49 49 LEU H H 1 8.181 0.030 . 1 . . . . 49 LEU H . 10288 1 506 . 1 1 49 49 LEU HA H 1 4.175 0.030 . 1 . . . . 49 LEU HA . 10288 1 507 . 1 1 49 49 LEU HB2 H 1 1.635 0.030 . 2 . . . . 49 LEU HB2 . 10288 1 508 . 1 1 49 49 LEU HB3 H 1 1.835 0.030 . 2 . . . . 49 LEU HB3 . 10288 1 509 . 1 1 49 49 LEU HD11 H 1 0.924 0.030 . 1 . . . . 49 LEU HD1 . 10288 1 510 . 1 1 49 49 LEU HD12 H 1 0.924 0.030 . 1 . . . . 49 LEU HD1 . 10288 1 511 . 1 1 49 49 LEU HD13 H 1 0.924 0.030 . 1 . . . . 49 LEU HD1 . 10288 1 512 . 1 1 49 49 LEU HD21 H 1 0.908 0.030 . 1 . . . . 49 LEU HD2 . 10288 1 513 . 1 1 49 49 LEU HD22 H 1 0.908 0.030 . 1 . . . . 49 LEU HD2 . 10288 1 514 . 1 1 49 49 LEU HD23 H 1 0.908 0.030 . 1 . . . . 49 LEU HD2 . 10288 1 515 . 1 1 49 49 LEU HG H 1 1.796 0.030 . 1 . . . . 49 LEU HG . 10288 1 516 . 1 1 49 49 LEU C C 13 180.430 0.300 . 1 . . . . 49 LEU C . 10288 1 517 . 1 1 49 49 LEU CA C 13 57.873 0.300 . 1 . . . . 49 LEU CA . 10288 1 518 . 1 1 49 49 LEU CB C 13 41.539 0.300 . 1 . . . . 49 LEU CB . 10288 1 519 . 1 1 49 49 LEU CD1 C 13 24.883 0.300 . 2 . . . . 49 LEU CD1 . 10288 1 520 . 1 1 49 49 LEU CD2 C 13 23.422 0.300 . 2 . . . . 49 LEU CD2 . 10288 1 521 . 1 1 49 49 LEU CG C 13 27.270 0.300 . 1 . . . . 49 LEU CG . 10288 1 522 . 1 1 49 49 LEU N N 15 120.371 0.300 . 1 . . . . 49 LEU N . 10288 1 523 . 1 1 50 50 GLN H H 1 7.934 0.030 . 1 . . . . 50 GLN H . 10288 1 524 . 1 1 50 50 GLN HA H 1 4.102 0.030 . 1 . . . . 50 GLN HA . 10288 1 525 . 1 1 50 50 GLN HB2 H 1 2.202 0.030 . 1 . . . . 50 GLN HB2 . 10288 1 526 . 1 1 50 50 GLN HB3 H 1 2.202 0.030 . 1 . . . . 50 GLN HB3 . 10288 1 527 . 1 1 50 50 GLN HE21 H 1 7.586 0.030 . 2 . . . . 50 GLN HE21 . 10288 1 528 . 1 1 50 50 GLN HE22 H 1 6.813 0.030 . 2 . . . . 50 GLN HE22 . 10288 1 529 . 1 1 50 50 GLN HG2 H 1 2.487 0.030 . 1 . . . . 50 GLN HG2 . 10288 1 530 . 1 1 50 50 GLN HG3 H 1 2.487 0.030 . 1 . . . . 50 GLN HG3 . 10288 1 531 . 1 1 50 50 GLN C C 13 177.322 0.300 . 1 . . . . 50 GLN C . 10288 1 532 . 1 1 50 50 GLN CA C 13 58.156 0.300 . 1 . . . . 50 GLN CA . 10288 1 533 . 1 1 50 50 GLN CB C 13 28.616 0.300 . 1 . . . . 50 GLN CB . 10288 1 534 . 1 1 50 50 GLN CG C 13 33.763 0.300 . 1 . . . . 50 GLN CG . 10288 1 535 . 1 1 50 50 GLN N N 15 118.175 0.300 . 1 . . . . 50 GLN N . 10288 1 536 . 1 1 50 50 GLN NE2 N 15 112.397 0.300 . 1 . . . . 50 GLN NE2 . 10288 1 537 . 1 1 51 51 ARG H H 1 7.632 0.030 . 1 . . . . 51 ARG H . 10288 1 538 . 1 1 51 51 ARG HA H 1 4.347 0.030 . 1 . . . . 51 ARG HA . 10288 1 539 . 1 1 51 51 ARG HB2 H 1 1.684 0.030 . 2 . . . . 51 ARG HB2 . 10288 1 540 . 1 1 51 51 ARG HB3 H 1 2.057 0.030 . 2 . . . . 51 ARG HB3 . 10288 1 541 . 1 1 51 51 ARG HD2 H 1 3.013 0.030 . 2 . . . . 51 ARG HD2 . 10288 1 542 . 1 1 51 51 ARG HD3 H 1 3.216 0.030 . 2 . . . . 51 ARG HD3 . 10288 1 543 . 1 1 51 51 ARG HG2 H 1 1.798 0.030 . 2 . . . . 51 ARG HG2 . 10288 1 544 . 1 1 51 51 ARG HG3 H 1 1.734 0.030 . 2 . . . . 51 ARG HG3 . 10288 1 545 . 1 1 51 51 ARG C C 13 176.546 0.300 . 1 . . . . 51 ARG C . 10288 1 546 . 1 1 51 51 ARG CA C 13 56.286 0.300 . 1 . . . . 51 ARG CA . 10288 1 547 . 1 1 51 51 ARG CB C 13 31.314 0.300 . 1 . . . . 51 ARG CB . 10288 1 548 . 1 1 51 51 ARG CD C 13 43.489 0.300 . 1 . . . . 51 ARG CD . 10288 1 549 . 1 1 51 51 ARG CG C 13 28.093 0.300 . 1 . . . . 51 ARG CG . 10288 1 550 . 1 1 51 51 ARG N N 15 116.454 0.300 . 1 . . . . 51 ARG N . 10288 1 551 . 1 1 52 52 GLY H H 1 7.949 0.030 . 1 . . . . 52 GLY H . 10288 1 552 . 1 1 52 52 GLY HA2 H 1 4.033 0.030 . 2 . . . . 52 GLY HA2 . 10288 1 553 . 1 1 52 52 GLY HA3 H 1 3.903 0.030 . 2 . . . . 52 GLY HA3 . 10288 1 554 . 1 1 52 52 GLY C C 13 174.385 0.300 . 1 . . . . 52 GLY C . 10288 1 555 . 1 1 52 52 GLY CA C 13 46.231 0.300 . 1 . . . . 52 GLY CA . 10288 1 556 . 1 1 52 52 GLY N N 15 108.854 0.300 . 1 . . . . 52 GLY N . 10288 1 557 . 1 1 53 53 VAL H H 1 7.944 0.030 . 1 . . . . 53 VAL H . 10288 1 558 . 1 1 53 53 VAL HA H 1 4.250 0.030 . 1 . . . . 53 VAL HA . 10288 1 559 . 1 1 53 53 VAL HB H 1 1.889 0.030 . 1 . . . . 53 VAL HB . 10288 1 560 . 1 1 53 53 VAL HG11 H 1 0.867 0.030 . 1 . . . . 53 VAL HG1 . 10288 1 561 . 1 1 53 53 VAL HG12 H 1 0.867 0.030 . 1 . . . . 53 VAL HG1 . 10288 1 562 . 1 1 53 53 VAL HG13 H 1 0.867 0.030 . 1 . . . . 53 VAL HG1 . 10288 1 563 . 1 1 53 53 VAL HG21 H 1 0.802 0.030 . 1 . . . . 53 VAL HG2 . 10288 1 564 . 1 1 53 53 VAL HG22 H 1 0.802 0.030 . 1 . . . . 53 VAL HG2 . 10288 1 565 . 1 1 53 53 VAL HG23 H 1 0.802 0.030 . 1 . . . . 53 VAL HG2 . 10288 1 566 . 1 1 53 53 VAL C C 13 175.525 0.300 . 1 . . . . 53 VAL C . 10288 1 567 . 1 1 53 53 VAL CA C 13 60.377 0.300 . 1 . . . . 53 VAL CA . 10288 1 568 . 1 1 53 53 VAL CB C 13 34.283 0.300 . 1 . . . . 53 VAL CB . 10288 1 569 . 1 1 53 53 VAL CG1 C 13 21.412 0.300 . 2 . . . . 53 VAL CG1 . 10288 1 570 . 1 1 53 53 VAL CG2 C 13 20.598 0.300 . 2 . . . . 53 VAL CG2 . 10288 1 571 . 1 1 53 53 VAL N N 15 118.316 0.300 . 1 . . . . 53 VAL N . 10288 1 572 . 1 1 54 54 SER H H 1 8.502 0.030 . 1 . . . . 54 SER H . 10288 1 573 . 1 1 54 54 SER HA H 1 4.625 0.030 . 1 . . . . 54 SER HA . 10288 1 574 . 1 1 54 54 SER HB2 H 1 3.745 0.030 . 2 . . . . 54 SER HB2 . 10288 1 575 . 1 1 54 54 SER HB3 H 1 3.976 0.030 . 2 . . . . 54 SER HB3 . 10288 1 576 . 1 1 54 54 SER C C 13 174.603 0.300 . 1 . . . . 54 SER C . 10288 1 577 . 1 1 54 54 SER CA C 13 56.092 0.300 . 1 . . . . 54 SER CA . 10288 1 578 . 1 1 54 54 SER CB C 13 63.697 0.300 . 1 . . . . 54 SER CB . 10288 1 579 . 1 1 54 54 SER N N 15 120.337 0.300 . 1 . . . . 54 SER N . 10288 1 580 . 1 1 55 55 PRO HA H 1 4.624 0.030 . 1 . . . . 55 PRO HA . 10288 1 581 . 1 1 55 55 PRO HB2 H 1 2.049 0.030 . 2 . . . . 55 PRO HB2 . 10288 1 582 . 1 1 55 55 PRO HB3 H 1 2.306 0.030 . 2 . . . . 55 PRO HB3 . 10288 1 583 . 1 1 55 55 PRO HD2 H 1 3.856 0.030 . 2 . . . . 55 PRO HD2 . 10288 1 584 . 1 1 55 55 PRO HD3 H 1 3.957 0.030 . 2 . . . . 55 PRO HD3 . 10288 1 585 . 1 1 55 55 PRO HG2 H 1 2.139 0.030 . 2 . . . . 55 PRO HG2 . 10288 1 586 . 1 1 55 55 PRO HG3 H 1 1.971 0.030 . 2 . . . . 55 PRO HG3 . 10288 1 587 . 1 1 55 55 PRO C C 13 177.322 0.300 . 1 . . . . 55 PRO C . 10288 1 588 . 1 1 55 55 PRO CA C 13 64.431 0.300 . 1 . . . . 55 PRO CA . 10288 1 589 . 1 1 55 55 PRO CB C 13 31.913 0.300 . 1 . . . . 55 PRO CB . 10288 1 590 . 1 1 55 55 PRO CD C 13 50.946 0.300 . 1 . . . . 55 PRO CD . 10288 1 591 . 1 1 55 55 PRO CG C 13 27.873 0.300 . 1 . . . . 55 PRO CG . 10288 1 592 . 1 1 56 56 SER H H 1 7.931 0.030 . 1 . . . . 56 SER H . 10288 1 593 . 1 1 56 56 SER HA H 1 4.428 0.030 . 1 . . . . 56 SER HA . 10288 1 594 . 1 1 56 56 SER HB2 H 1 3.887 0.030 . 2 . . . . 56 SER HB2 . 10288 1 595 . 1 1 56 56 SER HB3 H 1 3.953 0.030 . 2 . . . . 56 SER HB3 . 10288 1 596 . 1 1 56 56 SER C C 13 174.749 0.300 . 1 . . . . 56 SER C . 10288 1 597 . 1 1 56 56 SER CA C 13 59.130 0.300 . 1 . . . . 56 SER CA . 10288 1 598 . 1 1 56 56 SER CB C 13 63.056 0.300 . 1 . . . . 56 SER CB . 10288 1 599 . 1 1 56 56 SER N N 15 112.637 0.300 . 1 . . . . 56 SER N . 10288 1 600 . 1 1 57 57 LYS H H 1 8.121 0.030 . 1 . . . . 57 LYS H . 10288 1 601 . 1 1 57 57 LYS HA H 1 4.467 0.030 . 1 . . . . 57 LYS HA . 10288 1 602 . 1 1 57 57 LYS HB2 H 1 1.689 0.030 . 2 . . . . 57 LYS HB2 . 10288 1 603 . 1 1 57 57 LYS HB3 H 1 1.871 0.030 . 2 . . . . 57 LYS HB3 . 10288 1 604 . 1 1 57 57 LYS HD2 H 1 1.684 0.030 . 2 . . . . 57 LYS HD2 . 10288 1 605 . 1 1 57 57 LYS HE2 H 1 2.989 0.030 . 1 . . . . 57 LYS HE2 . 10288 1 606 . 1 1 57 57 LYS HE3 H 1 2.989 0.030 . 1 . . . . 57 LYS HE3 . 10288 1 607 . 1 1 57 57 LYS HG2 H 1 1.334 0.030 . 2 . . . . 57 LYS HG2 . 10288 1 608 . 1 1 57 57 LYS HG3 H 1 1.412 0.030 . 2 . . . . 57 LYS HG3 . 10288 1 609 . 1 1 57 57 LYS C C 13 176.570 0.300 . 1 . . . . 57 LYS C . 10288 1 610 . 1 1 57 57 LYS CA C 13 55.264 0.300 . 1 . . . . 57 LYS CA . 10288 1 611 . 1 1 57 57 LYS CB C 13 32.160 0.300 . 1 . . . . 57 LYS CB . 10288 1 612 . 1 1 57 57 LYS CD C 13 29.245 0.300 . 1 . . . . 57 LYS CD . 10288 1 613 . 1 1 57 57 LYS CE C 13 42.254 0.300 . 1 . . . . 57 LYS CE . 10288 1 614 . 1 1 57 57 LYS CG C 13 24.875 0.300 . 1 . . . . 57 LYS CG . 10288 1 615 . 1 1 57 57 LYS N N 15 123.185 0.300 . 1 . . . . 57 LYS N . 10288 1 616 . 1 1 58 58 ALA H H 1 7.886 0.030 . 1 . . . . 58 ALA H . 10288 1 617 . 1 1 58 58 ALA HA H 1 3.923 0.030 . 1 . . . . 58 ALA HA . 10288 1 618 . 1 1 58 58 ALA HB1 H 1 1.305 0.030 . 1 . . . . 58 ALA HB . 10288 1 619 . 1 1 58 58 ALA HB2 H 1 1.305 0.030 . 1 . . . . 58 ALA HB . 10288 1 620 . 1 1 58 58 ALA HB3 H 1 1.305 0.030 . 1 . . . . 58 ALA HB . 10288 1 621 . 1 1 58 58 ALA C C 13 177.469 0.300 . 1 . . . . 58 ALA C . 10288 1 622 . 1 1 58 58 ALA CA C 13 54.276 0.300 . 1 . . . . 58 ALA CA . 10288 1 623 . 1 1 58 58 ALA CB C 13 18.271 0.300 . 1 . . . . 58 ALA CB . 10288 1 624 . 1 1 58 58 ALA N N 15 123.941 0.300 . 1 . . . . 58 ALA N . 10288 1 625 . 1 1 59 59 HIS H H 1 8.077 0.030 . 1 . . . . 59 HIS H . 10288 1 626 . 1 1 59 59 HIS HA H 1 4.420 0.030 . 1 . . . . 59 HIS HA . 10288 1 627 . 1 1 59 59 HIS HB2 H 1 3.131 0.030 . 1 . . . . 59 HIS HB2 . 10288 1 628 . 1 1 59 59 HIS HB3 H 1 3.131 0.030 . 1 . . . . 59 HIS HB3 . 10288 1 629 . 1 1 59 59 HIS HD2 H 1 7.017 0.030 . 1 . . . . 59 HIS HD2 . 10288 1 630 . 1 1 59 59 HIS HE1 H 1 7.781 0.030 . 1 . . . . 59 HIS HE1 . 10288 1 631 . 1 1 59 59 HIS C C 13 177.542 0.300 . 1 . . . . 59 HIS C . 10288 1 632 . 1 1 59 59 HIS CA C 13 57.767 0.300 . 1 . . . . 59 HIS CA . 10288 1 633 . 1 1 59 59 HIS CB C 13 29.852 0.300 . 1 . . . . 59 HIS CB . 10288 1 634 . 1 1 59 59 HIS CD2 C 13 119.888 0.300 . 1 . . . . 59 HIS CD2 . 10288 1 635 . 1 1 59 59 HIS CE1 C 13 138.637 0.300 . 1 . . . . 59 HIS CE1 . 10288 1 636 . 1 1 59 59 HIS N N 15 115.566 0.300 . 1 . . . . 59 HIS N . 10288 1 637 . 1 1 60 60 GLY H H 1 8.110 0.030 . 1 . . . . 60 GLY H . 10288 1 638 . 1 1 60 60 GLY HA2 H 1 3.873 0.030 . 2 . . . . 60 GLY HA2 . 10288 1 639 . 1 1 60 60 GLY HA3 H 1 4.025 0.030 . 2 . . . . 60 GLY HA3 . 10288 1 640 . 1 1 60 60 GLY C C 13 174.918 0.300 . 1 . . . . 60 GLY C . 10288 1 641 . 1 1 60 60 GLY CA C 13 45.559 0.300 . 1 . . . . 60 GLY CA . 10288 1 642 . 1 1 60 60 GLY N N 15 109.216 0.300 . 1 . . . . 60 GLY N . 10288 1 643 . 1 1 61 61 LEU H H 1 8.280 0.030 . 1 . . . . 61 LEU H . 10288 1 644 . 1 1 61 61 LEU HA H 1 4.198 0.030 . 1 . . . . 61 LEU HA . 10288 1 645 . 1 1 61 61 LEU HB2 H 1 1.261 0.030 . 2 . . . . 61 LEU HB2 . 10288 1 646 . 1 1 61 61 LEU HB3 H 1 1.739 0.030 . 2 . . . . 61 LEU HB3 . 10288 1 647 . 1 1 61 61 LEU HD11 H 1 0.989 0.030 . 1 . . . . 61 LEU HD1 . 10288 1 648 . 1 1 61 61 LEU HD12 H 1 0.989 0.030 . 1 . . . . 61 LEU HD1 . 10288 1 649 . 1 1 61 61 LEU HD13 H 1 0.989 0.030 . 1 . . . . 61 LEU HD1 . 10288 1 650 . 1 1 61 61 LEU HD21 H 1 0.785 0.030 . 1 . . . . 61 LEU HD2 . 10288 1 651 . 1 1 61 61 LEU HD22 H 1 0.785 0.030 . 1 . . . . 61 LEU HD2 . 10288 1 652 . 1 1 61 61 LEU HD23 H 1 0.785 0.030 . 1 . . . . 61 LEU HD2 . 10288 1 653 . 1 1 61 61 LEU HG H 1 1.687 0.030 . 1 . . . . 61 LEU HG . 10288 1 654 . 1 1 61 61 LEU C C 13 178.900 0.300 . 1 . . . . 61 LEU C . 10288 1 655 . 1 1 61 61 LEU CA C 13 55.758 0.300 . 1 . . . . 61 LEU CA . 10288 1 656 . 1 1 61 61 LEU CB C 13 42.544 0.300 . 1 . . . . 61 LEU CB . 10288 1 657 . 1 1 61 61 LEU CD1 C 13 26.079 0.300 . 2 . . . . 61 LEU CD1 . 10288 1 658 . 1 1 61 61 LEU CD2 C 13 22.898 0.300 . 2 . . . . 61 LEU CD2 . 10288 1 659 . 1 1 61 61 LEU CG C 13 27.017 0.300 . 1 . . . . 61 LEU CG . 10288 1 660 . 1 1 61 61 LEU N N 15 120.521 0.300 . 1 . . . . 61 LEU N . 10288 1 661 . 1 1 62 62 GLY H H 1 8.184 0.030 . 1 . . . . 62 GLY H . 10288 1 662 . 1 1 62 62 GLY HA2 H 1 3.978 0.030 . 2 . . . . 62 GLY HA2 . 10288 1 663 . 1 1 62 62 GLY HA3 H 1 3.817 0.030 . 2 . . . . 62 GLY HA3 . 10288 1 664 . 1 1 62 62 GLY C C 13 176.012 0.300 . 1 . . . . 62 GLY C . 10288 1 665 . 1 1 62 62 GLY CA C 13 46.767 0.300 . 1 . . . . 62 GLY CA . 10288 1 666 . 1 1 62 62 GLY N N 15 108.987 0.300 . 1 . . . . 62 GLY N . 10288 1 667 . 1 1 63 63 SER HA H 1 4.322 0.030 . 1 . . . . 63 SER HA . 10288 1 668 . 1 1 63 63 SER HB2 H 1 3.857 0.030 . 1 . . . . 63 SER HB2 . 10288 1 669 . 1 1 63 63 SER HB3 H 1 3.857 0.030 . 1 . . . . 63 SER HB3 . 10288 1 670 . 1 1 63 63 SER C C 13 174.167 0.300 . 1 . . . . 63 SER C . 10288 1 671 . 1 1 63 63 SER CA C 13 59.919 0.300 . 1 . . . . 63 SER CA . 10288 1 672 . 1 1 63 63 SER CB C 13 63.312 0.300 . 1 . . . . 63 SER CB . 10288 1 673 . 1 1 64 64 ASN H H 1 8.087 0.030 . 1 . . . . 64 ASN H . 10288 1 674 . 1 1 64 64 ASN HA H 1 4.850 0.030 . 1 . . . . 64 ASN HA . 10288 1 675 . 1 1 64 64 ASN HB2 H 1 2.582 0.030 . 2 . . . . 64 ASN HB2 . 10288 1 676 . 1 1 64 64 ASN HB3 H 1 2.917 0.030 . 2 . . . . 64 ASN HB3 . 10288 1 677 . 1 1 64 64 ASN HD21 H 1 6.779 0.030 . 2 . . . . 64 ASN HD21 . 10288 1 678 . 1 1 64 64 ASN HD22 H 1 7.488 0.030 . 2 . . . . 64 ASN HD22 . 10288 1 679 . 1 1 64 64 ASN C C 13 173.899 0.300 . 1 . . . . 64 ASN C . 10288 1 680 . 1 1 64 64 ASN CA C 13 53.218 0.300 . 1 . . . . 64 ASN CA . 10288 1 681 . 1 1 64 64 ASN CB C 13 39.164 0.300 . 1 . . . . 64 ASN CB . 10288 1 682 . 1 1 64 64 ASN N N 15 118.041 0.300 . 1 . . . . 64 ASN N . 10288 1 683 . 1 1 64 64 ASN ND2 N 15 112.354 0.300 . 1 . . . . 64 ASN ND2 . 10288 1 684 . 1 1 65 65 LEU H H 1 7.293 0.030 . 1 . . . . 65 LEU H . 10288 1 685 . 1 1 65 65 LEU HA H 1 3.995 0.030 . 1 . . . . 65 LEU HA . 10288 1 686 . 1 1 65 65 LEU HB2 H 1 1.455 0.030 . 2 . . . . 65 LEU HB2 . 10288 1 687 . 1 1 65 65 LEU HB3 H 1 1.650 0.030 . 2 . . . . 65 LEU HB3 . 10288 1 688 . 1 1 65 65 LEU HD11 H 1 0.855 0.030 . 1 . . . . 65 LEU HD1 . 10288 1 689 . 1 1 65 65 LEU HD12 H 1 0.855 0.030 . 1 . . . . 65 LEU HD1 . 10288 1 690 . 1 1 65 65 LEU HD13 H 1 0.855 0.030 . 1 . . . . 65 LEU HD1 . 10288 1 691 . 1 1 65 65 LEU HD21 H 1 0.795 0.030 . 1 . . . . 65 LEU HD2 . 10288 1 692 . 1 1 65 65 LEU HD22 H 1 0.795 0.030 . 1 . . . . 65 LEU HD2 . 10288 1 693 . 1 1 65 65 LEU HD23 H 1 0.795 0.030 . 1 . . . . 65 LEU HD2 . 10288 1 694 . 1 1 65 65 LEU HG H 1 1.453 0.030 . 1 . . . . 65 LEU HG . 10288 1 695 . 1 1 65 65 LEU C C 13 175.696 0.300 . 1 . . . . 65 LEU C . 10288 1 696 . 1 1 65 65 LEU CA C 13 56.005 0.300 . 1 . . . . 65 LEU CA . 10288 1 697 . 1 1 65 65 LEU CB C 13 43.120 0.300 . 1 . . . . 65 LEU CB . 10288 1 698 . 1 1 65 65 LEU CD1 C 13 23.953 0.300 . 2 . . . . 65 LEU CD1 . 10288 1 699 . 1 1 65 65 LEU CD2 C 13 25.358 0.300 . 2 . . . . 65 LEU CD2 . 10288 1 700 . 1 1 65 65 LEU CG C 13 26.233 0.300 . 1 . . . . 65 LEU CG . 10288 1 701 . 1 1 65 65 LEU N N 15 120.953 0.300 . 1 . . . . 65 LEU N . 10288 1 702 . 1 1 66 66 VAL H H 1 9.517 0.030 . 1 . . . . 66 VAL H . 10288 1 703 . 1 1 66 66 VAL HA H 1 3.481 0.030 . 1 . . . . 66 VAL HA . 10288 1 704 . 1 1 66 66 VAL HB H 1 2.123 0.030 . 1 . . . . 66 VAL HB . 10288 1 705 . 1 1 66 66 VAL HG11 H 1 1.203 0.030 . 1 . . . . 66 VAL HG1 . 10288 1 706 . 1 1 66 66 VAL HG12 H 1 1.203 0.030 . 1 . . . . 66 VAL HG1 . 10288 1 707 . 1 1 66 66 VAL HG13 H 1 1.203 0.030 . 1 . . . . 66 VAL HG1 . 10288 1 708 . 1 1 66 66 VAL HG21 H 1 1.221 0.030 . 1 . . . . 66 VAL HG2 . 10288 1 709 . 1 1 66 66 VAL HG22 H 1 1.221 0.030 . 1 . . . . 66 VAL HG2 . 10288 1 710 . 1 1 66 66 VAL HG23 H 1 1.221 0.030 . 1 . . . . 66 VAL HG2 . 10288 1 711 . 1 1 66 66 VAL C C 13 175.429 0.300 . 1 . . . . 66 VAL C . 10288 1 712 . 1 1 66 66 VAL CA C 13 65.243 0.300 . 1 . . . . 66 VAL CA . 10288 1 713 . 1 1 66 66 VAL CB C 13 31.335 0.300 . 1 . . . . 66 VAL CB . 10288 1 714 . 1 1 66 66 VAL CG1 C 13 24.553 0.300 . 2 . . . . 66 VAL CG1 . 10288 1 715 . 1 1 66 66 VAL CG2 C 13 22.817 0.300 . 2 . . . . 66 VAL CG2 . 10288 1 716 . 1 1 66 66 VAL N N 15 127.924 0.300 . 1 . . . . 66 VAL N . 10288 1 717 . 1 1 67 67 THR H H 1 6.253 0.030 . 1 . . . . 67 THR H . 10288 1 718 . 1 1 67 67 THR HA H 1 4.779 0.030 . 1 . . . . 67 THR HA . 10288 1 719 . 1 1 67 67 THR HB H 1 4.597 0.030 . 1 . . . . 67 THR HB . 10288 1 720 . 1 1 67 67 THR HG21 H 1 1.080 0.030 . 1 . . . . 67 THR HG2 . 10288 1 721 . 1 1 67 67 THR HG22 H 1 1.080 0.030 . 1 . . . . 67 THR HG2 . 10288 1 722 . 1 1 67 67 THR HG23 H 1 1.080 0.030 . 1 . . . . 67 THR HG2 . 10288 1 723 . 1 1 67 67 THR C C 13 174.894 0.300 . 1 . . . . 67 THR C . 10288 1 724 . 1 1 67 67 THR CA C 13 58.719 0.300 . 1 . . . . 67 THR CA . 10288 1 725 . 1 1 67 67 THR CB C 13 72.153 0.300 . 1 . . . . 67 THR CB . 10288 1 726 . 1 1 67 67 THR CG2 C 13 21.425 0.300 . 1 . . . . 67 THR CG2 . 10288 1 727 . 1 1 67 67 THR N N 15 113.376 0.300 . 1 . . . . 67 THR N . 10288 1 728 . 1 1 68 68 GLU H H 1 9.348 0.030 . 1 . . . . 68 GLU H . 10288 1 729 . 1 1 68 68 GLU HA H 1 3.634 0.030 . 1 . . . . 68 GLU HA . 10288 1 730 . 1 1 68 68 GLU HB2 H 1 2.131 0.030 . 2 . . . . 68 GLU HB2 . 10288 1 731 . 1 1 68 68 GLU HB3 H 1 2.318 0.030 . 2 . . . . 68 GLU HB3 . 10288 1 732 . 1 1 68 68 GLU HG2 H 1 2.143 0.030 . 2 . . . . 68 GLU HG2 . 10288 1 733 . 1 1 68 68 GLU HG3 H 1 2.486 0.030 . 2 . . . . 68 GLU HG3 . 10288 1 734 . 1 1 68 68 GLU C C 13 177.809 0.300 . 1 . . . . 68 GLU C . 10288 1 735 . 1 1 68 68 GLU CA C 13 61.505 0.300 . 1 . . . . 68 GLU CA . 10288 1 736 . 1 1 68 68 GLU CB C 13 28.285 0.300 . 1 . . . . 68 GLU CB . 10288 1 737 . 1 1 68 68 GLU CG C 13 36.572 0.300 . 1 . . . . 68 GLU CG . 10288 1 738 . 1 1 68 68 GLU N N 15 124.534 0.300 . 1 . . . . 68 GLU N . 10288 1 739 . 1 1 69 69 VAL H H 1 8.126 0.030 . 1 . . . . 69 VAL H . 10288 1 740 . 1 1 69 69 VAL HA H 1 3.862 0.030 . 1 . . . . 69 VAL HA . 10288 1 741 . 1 1 69 69 VAL HB H 1 1.955 0.030 . 1 . . . . 69 VAL HB . 10288 1 742 . 1 1 69 69 VAL HG11 H 1 0.924 0.030 . 1 . . . . 69 VAL HG1 . 10288 1 743 . 1 1 69 69 VAL HG12 H 1 0.924 0.030 . 1 . . . . 69 VAL HG1 . 10288 1 744 . 1 1 69 69 VAL HG13 H 1 0.924 0.030 . 1 . . . . 69 VAL HG1 . 10288 1 745 . 1 1 69 69 VAL HG21 H 1 1.031 0.030 . 1 . . . . 69 VAL HG2 . 10288 1 746 . 1 1 69 69 VAL HG22 H 1 1.031 0.030 . 1 . . . . 69 VAL HG2 . 10288 1 747 . 1 1 69 69 VAL HG23 H 1 1.031 0.030 . 1 . . . . 69 VAL HG2 . 10288 1 748 . 1 1 69 69 VAL C C 13 177.712 0.300 . 1 . . . . 69 VAL C . 10288 1 749 . 1 1 69 69 VAL CA C 13 65.701 0.300 . 1 . . . . 69 VAL CA . 10288 1 750 . 1 1 69 69 VAL CB C 13 31.829 0.300 . 1 . . . . 69 VAL CB . 10288 1 751 . 1 1 69 69 VAL CG1 C 13 20.776 0.300 . 2 . . . . 69 VAL CG1 . 10288 1 752 . 1 1 69 69 VAL CG2 C 13 22.552 0.300 . 2 . . . . 69 VAL CG2 . 10288 1 753 . 1 1 69 69 VAL N N 15 119.139 0.300 . 1 . . . . 69 VAL N . 10288 1 754 . 1 1 70 70 ARG H H 1 7.235 0.030 . 1 . . . . 70 ARG H . 10288 1 755 . 1 1 70 70 ARG HA H 1 4.265 0.030 . 1 . . . . 70 ARG HA . 10288 1 756 . 1 1 70 70 ARG HB2 H 1 1.622 0.030 . 2 . . . . 70 ARG HB2 . 10288 1 757 . 1 1 70 70 ARG HB3 H 1 1.796 0.030 . 2 . . . . 70 ARG HB3 . 10288 1 758 . 1 1 70 70 ARG HD2 H 1 2.177 0.030 . 2 . . . . 70 ARG HD2 . 10288 1 759 . 1 1 70 70 ARG HD3 H 1 1.632 0.030 . 2 . . . . 70 ARG HD3 . 10288 1 760 . 1 1 70 70 ARG HG2 H 1 1.379 0.030 . 2 . . . . 70 ARG HG2 . 10288 1 761 . 1 1 70 70 ARG HG3 H 1 1.293 0.030 . 2 . . . . 70 ARG HG3 . 10288 1 762 . 1 1 70 70 ARG C C 13 180.430 0.300 . 1 . . . . 70 ARG C . 10288 1 763 . 1 1 70 70 ARG CA C 13 59.742 0.300 . 1 . . . . 70 ARG CA . 10288 1 764 . 1 1 70 70 ARG CB C 13 29.439 0.300 . 1 . . . . 70 ARG CB . 10288 1 765 . 1 1 70 70 ARG CD C 13 42.246 0.300 . 1 . . . . 70 ARG CD . 10288 1 766 . 1 1 70 70 ARG CG C 13 27.893 0.300 . 1 . . . . 70 ARG CG . 10288 1 767 . 1 1 70 70 ARG N N 15 119.541 0.300 . 1 . . . . 70 ARG N . 10288 1 768 . 1 1 71 71 VAL H H 1 8.144 0.030 . 1 . . . . 71 VAL H . 10288 1 769 . 1 1 71 71 VAL HA H 1 4.018 0.030 . 1 . . . . 71 VAL HA . 10288 1 770 . 1 1 71 71 VAL HB H 1 2.414 0.030 . 1 . . . . 71 VAL HB . 10288 1 771 . 1 1 71 71 VAL HG11 H 1 1.209 0.030 . 1 . . . . 71 VAL HG1 . 10288 1 772 . 1 1 71 71 VAL HG12 H 1 1.209 0.030 . 1 . . . . 71 VAL HG1 . 10288 1 773 . 1 1 71 71 VAL HG13 H 1 1.209 0.030 . 1 . . . . 71 VAL HG1 . 10288 1 774 . 1 1 71 71 VAL HG21 H 1 1.210 0.030 . 1 . . . . 71 VAL HG2 . 10288 1 775 . 1 1 71 71 VAL HG22 H 1 1.210 0.030 . 1 . . . . 71 VAL HG2 . 10288 1 776 . 1 1 71 71 VAL HG23 H 1 1.210 0.030 . 1 . . . . 71 VAL HG2 . 10288 1 777 . 1 1 71 71 VAL C C 13 177.493 0.300 . 1 . . . . 71 VAL C . 10288 1 778 . 1 1 71 71 VAL CA C 13 67.924 0.300 . 1 . . . . 71 VAL CA . 10288 1 779 . 1 1 71 71 VAL CB C 13 32.289 0.300 . 1 . . . . 71 VAL CB . 10288 1 780 . 1 1 71 71 VAL CG1 C 13 22.555 0.300 . 2 . . . . 71 VAL CG1 . 10288 1 781 . 1 1 71 71 VAL CG2 C 13 24.553 0.300 . 2 . . . . 71 VAL CG2 . 10288 1 782 . 1 1 71 71 VAL N N 15 120.755 0.300 . 1 . . . . 71 VAL N . 10288 1 783 . 1 1 72 72 TYR H H 1 9.411 0.030 . 1 . . . . 72 TYR H . 10288 1 784 . 1 1 72 72 TYR HA H 1 3.908 0.030 . 1 . . . . 72 TYR HA . 10288 1 785 . 1 1 72 72 TYR HB2 H 1 3.099 0.030 . 2 . . . . 72 TYR HB2 . 10288 1 786 . 1 1 72 72 TYR HB3 H 1 3.439 0.030 . 2 . . . . 72 TYR HB3 . 10288 1 787 . 1 1 72 72 TYR HD1 H 1 7.030 0.030 . 1 . . . . 72 TYR HD1 . 10288 1 788 . 1 1 72 72 TYR HD2 H 1 7.030 0.030 . 1 . . . . 72 TYR HD2 . 10288 1 789 . 1 1 72 72 TYR HE1 H 1 6.883 0.030 . 1 . . . . 72 TYR HE1 . 10288 1 790 . 1 1 72 72 TYR HE2 H 1 6.883 0.030 . 1 . . . . 72 TYR HE2 . 10288 1 791 . 1 1 72 72 TYR C C 13 178.464 0.300 . 1 . . . . 72 TYR C . 10288 1 792 . 1 1 72 72 TYR CA C 13 63.444 0.300 . 1 . . . . 72 TYR CA . 10288 1 793 . 1 1 72 72 TYR CB C 13 38.211 0.300 . 1 . . . . 72 TYR CB . 10288 1 794 . 1 1 72 72 TYR CD1 C 13 133.137 0.300 . 1 . . . . 72 TYR CD1 . 10288 1 795 . 1 1 72 72 TYR CD2 C 13 133.137 0.300 . 1 . . . . 72 TYR CD2 . 10288 1 796 . 1 1 72 72 TYR CE1 C 13 118.501 0.300 . 1 . . . . 72 TYR CE1 . 10288 1 797 . 1 1 72 72 TYR CE2 C 13 118.501 0.300 . 1 . . . . 72 TYR CE2 . 10288 1 798 . 1 1 72 72 TYR N N 15 121.175 0.300 . 1 . . . . 72 TYR N . 10288 1 799 . 1 1 73 73 ASN H H 1 8.816 0.030 . 1 . . . . 73 ASN H . 10288 1 800 . 1 1 73 73 ASN HA H 1 4.538 0.030 . 1 . . . . 73 ASN HA . 10288 1 801 . 1 1 73 73 ASN HB2 H 1 2.985 0.030 . 2 . . . . 73 ASN HB2 . 10288 1 802 . 1 1 73 73 ASN HB3 H 1 3.178 0.030 . 2 . . . . 73 ASN HB3 . 10288 1 803 . 1 1 73 73 ASN HD21 H 1 7.790 0.030 . 2 . . . . 73 ASN HD21 . 10288 1 804 . 1 1 73 73 ASN HD22 H 1 7.080 0.030 . 2 . . . . 73 ASN HD22 . 10288 1 805 . 1 1 73 73 ASN C C 13 176.958 0.300 . 1 . . . . 73 ASN C . 10288 1 806 . 1 1 73 73 ASN CA C 13 56.109 0.300 . 1 . . . . 73 ASN CA . 10288 1 807 . 1 1 73 73 ASN CB C 13 38.422 0.300 . 1 . . . . 73 ASN CB . 10288 1 808 . 1 1 73 73 ASN N N 15 118.122 0.300 . 1 . . . . 73 ASN N . 10288 1 809 . 1 1 73 73 ASN ND2 N 15 112.531 0.300 . 1 . . . . 73 ASN ND2 . 10288 1 810 . 1 1 74 74 TRP H H 1 8.657 0.030 . 1 . . . . 74 TRP H . 10288 1 811 . 1 1 74 74 TRP HA H 1 4.111 0.030 . 1 . . . . 74 TRP HA . 10288 1 812 . 1 1 74 74 TRP HB2 H 1 3.510 0.030 . 2 . . . . 74 TRP HB2 . 10288 1 813 . 1 1 74 74 TRP HB3 H 1 3.434 0.030 . 2 . . . . 74 TRP HB3 . 10288 1 814 . 1 1 74 74 TRP HD1 H 1 6.284 0.030 . 1 . . . . 74 TRP HD1 . 10288 1 815 . 1 1 74 74 TRP HE1 H 1 9.661 0.030 . 1 . . . . 74 TRP HE1 . 10288 1 816 . 1 1 74 74 TRP HE3 H 1 6.346 0.030 . 1 . . . . 74 TRP HE3 . 10288 1 817 . 1 1 74 74 TRP HH2 H 1 5.879 0.030 . 1 . . . . 74 TRP HH2 . 10288 1 818 . 1 1 74 74 TRP HZ2 H 1 6.156 0.030 . 1 . . . . 74 TRP HZ2 . 10288 1 819 . 1 1 74 74 TRP HZ3 H 1 5.570 0.030 . 1 . . . . 74 TRP HZ3 . 10288 1 820 . 1 1 74 74 TRP C C 13 179.654 0.300 . 1 . . . . 74 TRP C . 10288 1 821 . 1 1 74 74 TRP CA C 13 62.950 0.300 . 1 . . . . 74 TRP CA . 10288 1 822 . 1 1 74 74 TRP CB C 13 29.555 0.300 . 1 . . . . 74 TRP CB . 10288 1 823 . 1 1 74 74 TRP CD1 C 13 126.823 0.300 . 1 . . . . 74 TRP CD1 . 10288 1 824 . 1 1 74 74 TRP CE3 C 13 120.843 0.300 . 1 . . . . 74 TRP CE3 . 10288 1 825 . 1 1 74 74 TRP CH2 C 13 122.861 0.300 . 1 . . . . 74 TRP CH2 . 10288 1 826 . 1 1 74 74 TRP CZ2 C 13 113.615 0.300 . 1 . . . . 74 TRP CZ2 . 10288 1 827 . 1 1 74 74 TRP CZ3 C 13 120.915 0.300 . 1 . . . . 74 TRP CZ3 . 10288 1 828 . 1 1 74 74 TRP N N 15 123.988 0.300 . 1 . . . . 74 TRP N . 10288 1 829 . 1 1 74 74 TRP NE1 N 15 128.629 0.300 . 1 . . . . 74 TRP NE1 . 10288 1 830 . 1 1 75 75 PHE H H 1 8.562 0.030 . 1 . . . . 75 PHE H . 10288 1 831 . 1 1 75 75 PHE HA H 1 3.821 0.030 . 1 . . . . 75 PHE HA . 10288 1 832 . 1 1 75 75 PHE HB2 H 1 3.293 0.030 . 2 . . . . 75 PHE HB2 . 10288 1 833 . 1 1 75 75 PHE HB3 H 1 3.144 0.030 . 2 . . . . 75 PHE HB3 . 10288 1 834 . 1 1 75 75 PHE HD1 H 1 7.920 0.030 . 1 . . . . 75 PHE HD1 . 10288 1 835 . 1 1 75 75 PHE HD2 H 1 7.920 0.030 . 1 . . . . 75 PHE HD2 . 10288 1 836 . 1 1 75 75 PHE HE1 H 1 7.518 0.030 . 1 . . . . 75 PHE HE1 . 10288 1 837 . 1 1 75 75 PHE HE2 H 1 7.518 0.030 . 1 . . . . 75 PHE HE2 . 10288 1 838 . 1 1 75 75 PHE HZ H 1 7.270 0.030 . 1 . . . . 75 PHE HZ . 10288 1 839 . 1 1 75 75 PHE C C 13 177.614 0.300 . 1 . . . . 75 PHE C . 10288 1 840 . 1 1 75 75 PHE CA C 13 63.374 0.300 . 1 . . . . 75 PHE CA . 10288 1 841 . 1 1 75 75 PHE CB C 13 39.648 0.300 . 1 . . . . 75 PHE CB . 10288 1 842 . 1 1 75 75 PHE CD1 C 13 132.351 0.300 . 1 . . . . 75 PHE CD1 . 10288 1 843 . 1 1 75 75 PHE CD2 C 13 132.351 0.300 . 1 . . . . 75 PHE CD2 . 10288 1 844 . 1 1 75 75 PHE CE1 C 13 132.112 0.300 . 1 . . . . 75 PHE CE1 . 10288 1 845 . 1 1 75 75 PHE CE2 C 13 132.112 0.300 . 1 . . . . 75 PHE CE2 . 10288 1 846 . 1 1 75 75 PHE CZ C 13 130.194 0.300 . 1 . . . . 75 PHE CZ . 10288 1 847 . 1 1 75 75 PHE N N 15 118.325 0.300 . 1 . . . . 75 PHE N . 10288 1 848 . 1 1 76 76 ALA H H 1 8.305 0.030 . 1 . . . . 76 ALA H . 10288 1 849 . 1 1 76 76 ALA HA H 1 3.909 0.030 . 1 . . . . 76 ALA HA . 10288 1 850 . 1 1 76 76 ALA HB1 H 1 1.324 0.030 . 1 . . . . 76 ALA HB . 10288 1 851 . 1 1 76 76 ALA HB2 H 1 1.324 0.030 . 1 . . . . 76 ALA HB . 10288 1 852 . 1 1 76 76 ALA HB3 H 1 1.324 0.030 . 1 . . . . 76 ALA HB . 10288 1 853 . 1 1 76 76 ALA C C 13 180.868 0.300 . 1 . . . . 76 ALA C . 10288 1 854 . 1 1 76 76 ALA CA C 13 55.566 0.300 . 1 . . . . 76 ALA CA . 10288 1 855 . 1 1 76 76 ALA CB C 13 17.820 0.300 . 1 . . . . 76 ALA CB . 10288 1 856 . 1 1 76 76 ALA N N 15 121.119 0.300 . 1 . . . . 76 ALA N . 10288 1 857 . 1 1 77 77 ASN H H 1 8.335 0.030 . 1 . . . . 77 ASN H . 10288 1 858 . 1 1 77 77 ASN HA H 1 4.355 0.030 . 1 . . . . 77 ASN HA . 10288 1 859 . 1 1 77 77 ASN HB2 H 1 2.578 0.030 . 2 . . . . 77 ASN HB2 . 10288 1 860 . 1 1 77 77 ASN HB3 H 1 2.711 0.030 . 2 . . . . 77 ASN HB3 . 10288 1 861 . 1 1 77 77 ASN HD21 H 1 7.518 0.030 . 2 . . . . 77 ASN HD21 . 10288 1 862 . 1 1 77 77 ASN HD22 H 1 6.938 0.030 . 2 . . . . 77 ASN HD22 . 10288 1 863 . 1 1 77 77 ASN C C 13 177.105 0.300 . 1 . . . . 77 ASN C . 10288 1 864 . 1 1 77 77 ASN CA C 13 56.145 0.300 . 1 . . . . 77 ASN CA . 10288 1 865 . 1 1 77 77 ASN CB C 13 38.063 0.300 . 1 . . . . 77 ASN CB . 10288 1 866 . 1 1 77 77 ASN N N 15 117.433 0.300 . 1 . . . . 77 ASN N . 10288 1 867 . 1 1 77 77 ASN ND2 N 15 113.505 0.300 . 1 . . . . 77 ASN ND2 . 10288 1 868 . 1 1 78 78 ARG H H 1 7.664 0.030 . 1 . . . . 78 ARG H . 10288 1 869 . 1 1 78 78 ARG HA H 1 3.629 0.030 . 1 . . . . 78 ARG HA . 10288 1 870 . 1 1 78 78 ARG HB2 H 1 0.982 0.030 . 2 . . . . 78 ARG HB2 . 10288 1 871 . 1 1 78 78 ARG HB3 H 1 0.645 0.030 . 2 . . . . 78 ARG HB3 . 10288 1 872 . 1 1 78 78 ARG HD2 H 1 1.698 0.030 . 2 . . . . 78 ARG HD2 . 10288 1 873 . 1 1 78 78 ARG HD3 H 1 1.948 0.030 . 2 . . . . 78 ARG HD3 . 10288 1 874 . 1 1 78 78 ARG HG2 H 1 0.148 0.030 . 1 . . . . 78 ARG HG2 . 10288 1 875 . 1 1 78 78 ARG HG3 H 1 0.148 0.030 . 1 . . . . 78 ARG HG3 . 10288 1 876 . 1 1 78 78 ARG C C 13 179.216 0.300 . 1 . . . . 78 ARG C . 10288 1 877 . 1 1 78 78 ARG CA C 13 58.773 0.300 . 1 . . . . 78 ARG CA . 10288 1 878 . 1 1 78 78 ARG CB C 13 29.605 0.300 . 1 . . . . 78 ARG CB . 10288 1 879 . 1 1 78 78 ARG CD C 13 42.748 0.300 . 1 . . . . 78 ARG CD . 10288 1 880 . 1 1 78 78 ARG CG C 13 25.014 0.300 . 1 . . . . 78 ARG CG . 10288 1 881 . 1 1 78 78 ARG N N 15 121.999 0.300 . 1 . . . . 78 ARG N . 10288 1 882 . 1 1 79 79 ARG H H 1 8.320 0.030 . 1 . . . . 79 ARG H . 10288 1 883 . 1 1 79 79 ARG HA H 1 4.307 0.030 . 1 . . . . 79 ARG HA . 10288 1 884 . 1 1 79 79 ARG HB2 H 1 1.787 0.030 . 2 . . . . 79 ARG HB2 . 10288 1 885 . 1 1 79 79 ARG HB3 H 1 2.098 0.030 . 2 . . . . 79 ARG HB3 . 10288 1 886 . 1 1 79 79 ARG HD2 H 1 3.159 0.030 . 2 . . . . 79 ARG HD2 . 10288 1 887 . 1 1 79 79 ARG HD3 H 1 3.442 0.030 . 2 . . . . 79 ARG HD3 . 10288 1 888 . 1 1 79 79 ARG HG2 H 1 1.790 0.030 . 2 . . . . 79 ARG HG2 . 10288 1 889 . 1 1 79 79 ARG HG3 H 1 2.452 0.030 . 2 . . . . 79 ARG HG3 . 10288 1 890 . 1 1 79 79 ARG C C 13 180.406 0.300 . 1 . . . . 79 ARG C . 10288 1 891 . 1 1 79 79 ARG CA C 13 60.270 0.300 . 1 . . . . 79 ARG CA . 10288 1 892 . 1 1 79 79 ARG CB C 13 31.335 0.300 . 1 . . . . 79 ARG CB . 10288 1 893 . 1 1 79 79 ARG CD C 13 43.900 0.300 . 1 . . . . 79 ARG CD . 10288 1 894 . 1 1 79 79 ARG CG C 13 28.834 0.300 . 1 . . . . 79 ARG CG . 10288 1 895 . 1 1 79 79 ARG N N 15 118.139 0.300 . 1 . . . . 79 ARG N . 10288 1 896 . 1 1 80 80 LYS H H 1 7.759 0.030 . 1 . . . . 80 LYS H . 10288 1 897 . 1 1 80 80 LYS HA H 1 4.052 0.030 . 1 . . . . 80 LYS HA . 10288 1 898 . 1 1 80 80 LYS HB2 H 1 1.948 0.030 . 1 . . . . 80 LYS HB2 . 10288 1 899 . 1 1 80 80 LYS HB3 H 1 1.948 0.030 . 1 . . . . 80 LYS HB3 . 10288 1 900 . 1 1 80 80 LYS HD2 H 1 1.686 0.030 . 2 . . . . 80 LYS HD2 . 10288 1 901 . 1 1 80 80 LYS HD3 H 1 1.563 0.030 . 2 . . . . 80 LYS HD3 . 10288 1 902 . 1 1 80 80 LYS HE2 H 1 2.948 0.030 . 2 . . . . 80 LYS HE2 . 10288 1 903 . 1 1 80 80 LYS HG2 H 1 1.376 0.030 . 2 . . . . 80 LYS HG2 . 10288 1 904 . 1 1 80 80 LYS HG3 H 1 1.570 0.030 . 2 . . . . 80 LYS HG3 . 10288 1 905 . 1 1 80 80 LYS C C 13 178.999 0.300 . 1 . . . . 80 LYS C . 10288 1 906 . 1 1 80 80 LYS CA C 13 59.531 0.300 . 1 . . . . 80 LYS CA . 10288 1 907 . 1 1 80 80 LYS CB C 13 32.374 0.300 . 1 . . . . 80 LYS CB . 10288 1 908 . 1 1 80 80 LYS CD C 13 29.657 0.300 . 1 . . . . 80 LYS CD . 10288 1 909 . 1 1 80 80 LYS CE C 13 42.089 0.300 . 1 . . . . 80 LYS CE . 10288 1 910 . 1 1 80 80 LYS CG C 13 25.047 0.300 . 1 . . . . 80 LYS CG . 10288 1 911 . 1 1 80 80 LYS N N 15 120.899 0.300 . 1 . . . . 80 LYS N . 10288 1 912 . 1 1 81 81 GLU H H 1 8.041 0.030 . 1 . . . . 81 GLU H . 10288 1 913 . 1 1 81 81 GLU HA H 1 4.044 0.030 . 1 . . . . 81 GLU HA . 10288 1 914 . 1 1 81 81 GLU HB2 H 1 1.975 0.030 . 2 . . . . 81 GLU HB2 . 10288 1 915 . 1 1 81 81 GLU HB3 H 1 2.097 0.030 . 2 . . . . 81 GLU HB3 . 10288 1 916 . 1 1 81 81 GLU HG2 H 1 2.365 0.030 . 2 . . . . 81 GLU HG2 . 10288 1 917 . 1 1 81 81 GLU HG3 H 1 2.202 0.030 . 2 . . . . 81 GLU HG3 . 10288 1 918 . 1 1 81 81 GLU C C 13 179.168 0.300 . 1 . . . . 81 GLU C . 10288 1 919 . 1 1 81 81 GLU CA C 13 59.036 0.300 . 1 . . . . 81 GLU CA . 10288 1 920 . 1 1 81 81 GLU CB C 13 29.561 0.300 . 1 . . . . 81 GLU CB . 10288 1 921 . 1 1 81 81 GLU CG C 13 36.243 0.300 . 1 . . . . 81 GLU CG . 10288 1 922 . 1 1 81 81 GLU N N 15 120.193 0.300 . 1 . . . . 81 GLU N . 10288 1 923 . 1 1 82 82 GLU H H 1 8.131 0.030 . 1 . . . . 82 GLU H . 10288 1 924 . 1 1 82 82 GLU HA H 1 4.017 0.030 . 1 . . . . 82 GLU HA . 10288 1 925 . 1 1 82 82 GLU HB2 H 1 2.126 0.030 . 2 . . . . 82 GLU HB2 . 10288 1 926 . 1 1 82 82 GLU HB3 H 1 2.163 0.030 . 2 . . . . 82 GLU HB3 . 10288 1 927 . 1 1 82 82 GLU HG2 H 1 2.431 0.030 . 2 . . . . 82 GLU HG2 . 10288 1 928 . 1 1 82 82 GLU HG3 H 1 2.244 0.030 . 2 . . . . 82 GLU HG3 . 10288 1 929 . 1 1 82 82 GLU C C 13 178.343 0.300 . 1 . . . . 82 GLU C . 10288 1 930 . 1 1 82 82 GLU CA C 13 59.319 0.300 . 1 . . . . 82 GLU CA . 10288 1 931 . 1 1 82 82 GLU CB C 13 29.770 0.300 . 1 . . . . 82 GLU CB . 10288 1 932 . 1 1 82 82 GLU CG C 13 36.903 0.300 . 1 . . . . 82 GLU CG . 10288 1 933 . 1 1 82 82 GLU N N 15 119.626 0.300 . 1 . . . . 82 GLU N . 10288 1 934 . 1 1 83 83 ALA H H 1 7.935 0.030 . 1 . . . . 83 ALA H . 10288 1 935 . 1 1 83 83 ALA HA H 1 4.180 0.030 . 1 . . . . 83 ALA HA . 10288 1 936 . 1 1 83 83 ALA HB1 H 1 1.474 0.030 . 1 . . . . 83 ALA HB . 10288 1 937 . 1 1 83 83 ALA HB2 H 1 1.474 0.030 . 1 . . . . 83 ALA HB . 10288 1 938 . 1 1 83 83 ALA HB3 H 1 1.474 0.030 . 1 . . . . 83 ALA HB . 10288 1 939 . 1 1 83 83 ALA C C 13 179.994 0.300 . 1 . . . . 83 ALA C . 10288 1 940 . 1 1 83 83 ALA CA C 13 54.629 0.300 . 1 . . . . 83 ALA CA . 10288 1 941 . 1 1 83 83 ALA CB C 13 18.090 0.300 . 1 . . . . 83 ALA CB . 10288 1 942 . 1 1 83 83 ALA N N 15 121.476 0.300 . 1 . . . . 83 ALA N . 10288 1 943 . 1 1 84 84 PHE H H 1 8.043 0.030 . 1 . . . . 84 PHE H . 10288 1 944 . 1 1 84 84 PHE HA H 1 4.420 0.030 . 1 . . . . 84 PHE HA . 10288 1 945 . 1 1 84 84 PHE HB2 H 1 3.220 0.030 . 1 . . . . 84 PHE HB2 . 10288 1 946 . 1 1 84 84 PHE HB3 H 1 3.220 0.030 . 1 . . . . 84 PHE HB3 . 10288 1 947 . 1 1 84 84 PHE HD1 H 1 7.273 0.030 . 1 . . . . 84 PHE HD1 . 10288 1 948 . 1 1 84 84 PHE HD2 H 1 7.273 0.030 . 1 . . . . 84 PHE HD2 . 10288 1 949 . 1 1 84 84 PHE HE1 H 1 7.333 0.030 . 1 . . . . 84 PHE HE1 . 10288 1 950 . 1 1 84 84 PHE HE2 H 1 7.333 0.030 . 1 . . . . 84 PHE HE2 . 10288 1 951 . 1 1 84 84 PHE HZ H 1 7.290 0.030 . 1 . . . . 84 PHE HZ . 10288 1 952 . 1 1 84 84 PHE C C 13 177.250 0.300 . 1 . . . . 84 PHE C . 10288 1 953 . 1 1 84 84 PHE CA C 13 60.059 0.300 . 1 . . . . 84 PHE CA . 10288 1 954 . 1 1 84 84 PHE CB C 13 38.952 0.300 . 1 . . . . 84 PHE CB . 10288 1 955 . 1 1 84 84 PHE CD1 C 13 131.727 0.300 . 1 . . . . 84 PHE CD1 . 10288 1 956 . 1 1 84 84 PHE CD2 C 13 131.727 0.300 . 1 . . . . 84 PHE CD2 . 10288 1 957 . 1 1 84 84 PHE CE1 C 13 131.476 0.300 . 1 . . . . 84 PHE CE1 . 10288 1 958 . 1 1 84 84 PHE CE2 C 13 131.476 0.300 . 1 . . . . 84 PHE CE2 . 10288 1 959 . 1 1 84 84 PHE CZ C 13 129.911 0.300 . 1 . . . . 84 PHE CZ . 10288 1 960 . 1 1 84 84 PHE N N 15 119.074 0.300 . 1 . . . . 84 PHE N . 10288 1 961 . 1 1 85 85 ARG H H 1 8.031 0.030 . 1 . . . . 85 ARG H . 10288 1 962 . 1 1 85 85 ARG HA H 1 3.992 0.030 . 1 . . . . 85 ARG HA . 10288 1 963 . 1 1 85 85 ARG HB2 H 1 1.921 0.030 . 1 . . . . 85 ARG HB2 . 10288 1 964 . 1 1 85 85 ARG HB3 H 1 1.921 0.030 . 1 . . . . 85 ARG HB3 . 10288 1 965 . 1 1 85 85 ARG HD2 H 1 3.209 0.030 . 2 . . . . 85 ARG HD2 . 10288 1 966 . 1 1 85 85 ARG HG2 H 1 1.651 0.030 . 2 . . . . 85 ARG HG2 . 10288 1 967 . 1 1 85 85 ARG HG3 H 1 1.825 0.030 . 2 . . . . 85 ARG HG3 . 10288 1 968 . 1 1 85 85 ARG C C 13 178.319 0.300 . 1 . . . . 85 ARG C . 10288 1 969 . 1 1 85 85 ARG CA C 13 58.523 0.300 . 1 . . . . 85 ARG CA . 10288 1 970 . 1 1 85 85 ARG CB C 13 30.346 0.300 . 1 . . . . 85 ARG CB . 10288 1 971 . 1 1 85 85 ARG CD C 13 43.324 0.300 . 1 . . . . 85 ARG CD . 10288 1 972 . 1 1 85 85 ARG CG C 13 27.765 0.300 . 1 . . . . 85 ARG CG . 10288 1 973 . 1 1 85 85 ARG N N 15 119.291 0.300 . 1 . . . . 85 ARG N . 10288 1 974 . 1 1 86 86 GLN H H 1 8.091 0.030 . 1 . . . . 86 GLN H . 10288 1 975 . 1 1 86 86 GLN HA H 1 4.148 0.030 . 1 . . . . 86 GLN HA . 10288 1 976 . 1 1 86 86 GLN HB2 H 1 2.116 0.030 . 1 . . . . 86 GLN HB2 . 10288 1 977 . 1 1 86 86 GLN HB3 H 1 2.116 0.030 . 1 . . . . 86 GLN HB3 . 10288 1 978 . 1 1 86 86 GLN HE21 H 1 6.846 0.030 . 2 . . . . 86 GLN HE21 . 10288 1 979 . 1 1 86 86 GLN HE22 H 1 7.475 0.030 . 2 . . . . 86 GLN HE22 . 10288 1 980 . 1 1 86 86 GLN HG2 H 1 2.398 0.030 . 2 . . . . 86 GLN HG2 . 10288 1 981 . 1 1 86 86 GLN HG3 H 1 2.489 0.030 . 2 . . . . 86 GLN HG3 . 10288 1 982 . 1 1 86 86 GLN C C 13 177.105 0.300 . 1 . . . . 86 GLN C . 10288 1 983 . 1 1 86 86 GLN CA C 13 57.556 0.300 . 1 . . . . 86 GLN CA . 10288 1 984 . 1 1 86 86 GLN CB C 13 28.855 0.300 . 1 . . . . 86 GLN CB . 10288 1 985 . 1 1 86 86 GLN CG C 13 33.934 0.300 . 1 . . . . 86 GLN CG . 10288 1 986 . 1 1 86 86 GLN N N 15 119.097 0.300 . 1 . . . . 86 GLN N . 10288 1 987 . 1 1 86 86 GLN NE2 N 15 111.770 0.300 . 1 . . . . 86 GLN NE2 . 10288 1 988 . 1 1 87 87 LYS H H 1 7.898 0.030 . 1 . . . . 87 LYS H . 10288 1 989 . 1 1 87 87 LYS HA H 1 4.116 0.030 . 1 . . . . 87 LYS HA . 10288 1 990 . 1 1 87 87 LYS HB2 H 1 1.828 0.030 . 2 . . . . 87 LYS HB2 . 10288 1 991 . 1 1 87 87 LYS HB3 H 1 1.880 0.030 . 2 . . . . 87 LYS HB3 . 10288 1 992 . 1 1 87 87 LYS HD2 H 1 1.649 0.030 . 1 . . . . 87 LYS HD2 . 10288 1 993 . 1 1 87 87 LYS HD3 H 1 1.649 0.030 . 1 . . . . 87 LYS HD3 . 10288 1 994 . 1 1 87 87 LYS HE2 H 1 2.965 0.030 . 2 . . . . 87 LYS HE2 . 10288 1 995 . 1 1 87 87 LYS HG2 H 1 1.377 0.030 . 2 . . . . 87 LYS HG2 . 10288 1 996 . 1 1 87 87 LYS HG3 H 1 1.459 0.030 . 2 . . . . 87 LYS HG3 . 10288 1 997 . 1 1 87 87 LYS C C 13 177.542 0.300 . 1 . . . . 87 LYS C . 10288 1 998 . 1 1 87 87 LYS CA C 13 57.944 0.300 . 1 . . . . 87 LYS CA . 10288 1 999 . 1 1 87 87 LYS CB C 13 32.242 0.300 . 1 . . . . 87 LYS CB . 10288 1 1000 . 1 1 87 87 LYS CD C 13 29.081 0.300 . 1 . . . . 87 LYS CD . 10288 1 1001 . 1 1 87 87 LYS CE C 13 42.170 0.300 . 1 . . . . 87 LYS CE . 10288 1 1002 . 1 1 87 87 LYS CG C 13 24.883 0.300 . 1 . . . . 87 LYS CG . 10288 1 1003 . 1 1 87 87 LYS N N 15 120.968 0.300 . 1 . . . . 87 LYS N . 10288 1 1004 . 1 1 88 88 LEU H H 1 7.903 0.030 . 1 . . . . 88 LEU H . 10288 1 1005 . 1 1 88 88 LEU HA H 1 4.144 0.030 . 1 . . . . 88 LEU HA . 10288 1 1006 . 1 1 88 88 LEU HB2 H 1 1.595 0.030 . 2 . . . . 88 LEU HB2 . 10288 1 1007 . 1 1 88 88 LEU HB3 H 1 1.490 0.030 . 2 . . . . 88 LEU HB3 . 10288 1 1008 . 1 1 88 88 LEU HD11 H 1 0.783 0.030 . 1 . . . . 88 LEU HD1 . 10288 1 1009 . 1 1 88 88 LEU HD12 H 1 0.783 0.030 . 1 . . . . 88 LEU HD1 . 10288 1 1010 . 1 1 88 88 LEU HD13 H 1 0.783 0.030 . 1 . . . . 88 LEU HD1 . 10288 1 1011 . 1 1 88 88 LEU HD21 H 1 0.793 0.030 . 1 . . . . 88 LEU HD2 . 10288 1 1012 . 1 1 88 88 LEU HD22 H 1 0.793 0.030 . 1 . . . . 88 LEU HD2 . 10288 1 1013 . 1 1 88 88 LEU HD23 H 1 0.793 0.030 . 1 . . . . 88 LEU HD2 . 10288 1 1014 . 1 1 88 88 LEU HG H 1 1.499 0.030 . 1 . . . . 88 LEU HG . 10288 1 1015 . 1 1 88 88 LEU C C 13 178.221 0.300 . 1 . . . . 88 LEU C . 10288 1 1016 . 1 1 88 88 LEU CA C 13 56.145 0.300 . 1 . . . . 88 LEU CA . 10288 1 1017 . 1 1 88 88 LEU CB C 13 42.215 0.300 . 1 . . . . 88 LEU CB . 10288 1 1018 . 1 1 88 88 LEU CD1 C 13 23.264 0.300 . 2 . . . . 88 LEU CD1 . 10288 1 1019 . 1 1 88 88 LEU CD2 C 13 25.107 0.300 . 2 . . . . 88 LEU CD2 . 10288 1 1020 . 1 1 88 88 LEU CG C 13 26.838 0.300 . 1 . . . . 88 LEU CG . 10288 1 1021 . 1 1 88 88 LEU N N 15 120.558 0.300 . 1 . . . . 88 LEU N . 10288 1 1022 . 1 1 89 89 ALA H H 1 7.894 0.030 . 1 . . . . 89 ALA H . 10288 1 1023 . 1 1 89 89 ALA HA H 1 4.224 0.030 . 1 . . . . 89 ALA HA . 10288 1 1024 . 1 1 89 89 ALA HB1 H 1 1.418 0.030 . 1 . . . . 89 ALA HB . 10288 1 1025 . 1 1 89 89 ALA HB2 H 1 1.418 0.030 . 1 . . . . 89 ALA HB . 10288 1 1026 . 1 1 89 89 ALA HB3 H 1 1.418 0.030 . 1 . . . . 89 ALA HB . 10288 1 1027 . 1 1 89 89 ALA C C 13 178.609 0.300 . 1 . . . . 89 ALA C . 10288 1 1028 . 1 1 89 89 ALA CA C 13 53.392 0.300 . 1 . . . . 89 ALA CA . 10288 1 1029 . 1 1 89 89 ALA CB C 13 18.695 0.300 . 1 . . . . 89 ALA CB . 10288 1 1030 . 1 1 89 89 ALA N N 15 122.387 0.300 . 1 . . . . 89 ALA N . 10288 1 1031 . 1 1 90 90 MET H H 1 8.084 0.030 . 1 . . . . 90 MET H . 10288 1 1032 . 1 1 90 90 MET HA H 1 4.356 0.030 . 1 . . . . 90 MET HA . 10288 1 1033 . 1 1 90 90 MET HB2 H 1 2.125 0.030 . 2 . . . . 90 MET HB2 . 10288 1 1034 . 1 1 90 90 MET HB3 H 1 2.061 0.030 . 2 . . . . 90 MET HB3 . 10288 1 1035 . 1 1 90 90 MET HE1 H 1 2.073 0.030 . 1 . . . . 90 MET HE . 10288 1 1036 . 1 1 90 90 MET HE2 H 1 2.073 0.030 . 1 . . . . 90 MET HE . 10288 1 1037 . 1 1 90 90 MET HE3 H 1 2.073 0.030 . 1 . . . . 90 MET HE . 10288 1 1038 . 1 1 90 90 MET HG2 H 1 2.653 0.030 . 2 . . . . 90 MET HG2 . 10288 1 1039 . 1 1 90 90 MET HG3 H 1 2.565 0.030 . 2 . . . . 90 MET HG3 . 10288 1 1040 . 1 1 90 90 MET C C 13 176.982 0.300 . 1 . . . . 90 MET C . 10288 1 1041 . 1 1 90 90 MET CA C 13 56.551 0.300 . 1 . . . . 90 MET CA . 10288 1 1042 . 1 1 90 90 MET CB C 13 32.719 0.300 . 1 . . . . 90 MET CB . 10288 1 1043 . 1 1 90 90 MET CE C 13 16.939 0.300 . 1 . . . . 90 MET CE . 10288 1 1044 . 1 1 90 90 MET CG C 13 32.056 0.300 . 1 . . . . 90 MET CG . 10288 1 1045 . 1 1 90 90 MET N N 15 118.509 0.300 . 1 . . . . 90 MET N . 10288 1 1046 . 1 1 91 91 ASP H H 1 8.261 0.030 . 1 . . . . 91 ASP H . 10288 1 1047 . 1 1 91 91 ASP HA H 1 4.524 0.030 . 1 . . . . 91 ASP HA . 10288 1 1048 . 1 1 91 91 ASP HB2 H 1 2.659 0.030 . 1 . . . . 91 ASP HB2 . 10288 1 1049 . 1 1 91 91 ASP HB3 H 1 2.659 0.030 . 1 . . . . 91 ASP HB3 . 10288 1 1050 . 1 1 91 91 ASP C C 13 176.643 0.300 . 1 . . . . 91 ASP C . 10288 1 1051 . 1 1 91 91 ASP CA C 13 54.981 0.300 . 1 . . . . 91 ASP CA . 10288 1 1052 . 1 1 91 91 ASP CB C 13 40.870 0.300 . 1 . . . . 91 ASP CB . 10288 1 1053 . 1 1 91 91 ASP N N 15 120.771 0.300 . 1 . . . . 91 ASP N . 10288 1 1054 . 1 1 92 92 ALA H H 1 7.971 0.030 . 1 . . . . 92 ALA H . 10288 1 1055 . 1 1 92 92 ALA HA H 1 4.200 0.030 . 1 . . . . 92 ALA HA . 10288 1 1056 . 1 1 92 92 ALA HB1 H 1 1.278 0.030 . 1 . . . . 92 ALA HB . 10288 1 1057 . 1 1 92 92 ALA HB2 H 1 1.278 0.030 . 1 . . . . 92 ALA HB . 10288 1 1058 . 1 1 92 92 ALA HB3 H 1 1.278 0.030 . 1 . . . . 92 ALA HB . 10288 1 1059 . 1 1 92 92 ALA C C 13 177.929 0.300 . 1 . . . . 92 ALA C . 10288 1 1060 . 1 1 92 92 ALA CA C 13 53.184 0.300 . 1 . . . . 92 ALA CA . 10288 1 1061 . 1 1 92 92 ALA CB C 13 18.890 0.300 . 1 . . . . 92 ALA CB . 10288 1 1062 . 1 1 92 92 ALA N N 15 123.057 0.300 . 1 . . . . 92 ALA N . 10288 1 1063 . 1 1 93 93 TYR H H 1 8.019 0.030 . 1 . . . . 93 TYR H . 10288 1 1064 . 1 1 93 93 TYR HA H 1 4.523 0.030 . 1 . . . . 93 TYR HA . 10288 1 1065 . 1 1 93 93 TYR HB2 H 1 3.114 0.030 . 2 . . . . 93 TYR HB2 . 10288 1 1066 . 1 1 93 93 TYR HB3 H 1 2.998 0.030 . 2 . . . . 93 TYR HB3 . 10288 1 1067 . 1 1 93 93 TYR HD1 H 1 7.131 0.030 . 1 . . . . 93 TYR HD1 . 10288 1 1068 . 1 1 93 93 TYR HD2 H 1 7.131 0.030 . 1 . . . . 93 TYR HD2 . 10288 1 1069 . 1 1 93 93 TYR HE1 H 1 6.816 0.030 . 1 . . . . 93 TYR HE1 . 10288 1 1070 . 1 1 93 93 TYR HE2 H 1 6.816 0.030 . 1 . . . . 93 TYR HE2 . 10288 1 1071 . 1 1 93 93 TYR C C 13 176.279 0.300 . 1 . . . . 93 TYR C . 10288 1 1072 . 1 1 93 93 TYR CA C 13 58.401 0.300 . 1 . . . . 93 TYR CA . 10288 1 1073 . 1 1 93 93 TYR CB C 13 38.669 0.300 . 1 . . . . 93 TYR CB . 10288 1 1074 . 1 1 93 93 TYR CD1 C 13 133.191 0.300 . 1 . . . . 93 TYR CD1 . 10288 1 1075 . 1 1 93 93 TYR CD2 C 13 133.191 0.300 . 1 . . . . 93 TYR CD2 . 10288 1 1076 . 1 1 93 93 TYR CE1 C 13 118.186 0.300 . 1 . . . . 93 TYR CE1 . 10288 1 1077 . 1 1 93 93 TYR CE2 C 13 118.186 0.300 . 1 . . . . 93 TYR CE2 . 10288 1 1078 . 1 1 93 93 TYR N N 15 118.337 0.300 . 1 . . . . 93 TYR N . 10288 1 1079 . 1 1 94 94 SER H H 1 8.037 0.030 . 1 . . . . 94 SER H . 10288 1 1080 . 1 1 94 94 SER HA H 1 4.484 0.030 . 1 . . . . 94 SER HA . 10288 1 1081 . 1 1 94 94 SER HB2 H 1 3.887 0.030 . 2 . . . . 94 SER HB2 . 10288 1 1082 . 1 1 94 94 SER C C 13 174.554 0.300 . 1 . . . . 94 SER C . 10288 1 1083 . 1 1 94 94 SER CA C 13 58.401 0.300 . 1 . . . . 94 SER CA . 10288 1 1084 . 1 1 94 94 SER CB C 13 63.806 0.300 . 1 . . . . 94 SER CB . 10288 1 1085 . 1 1 94 94 SER N N 15 116.640 0.300 . 1 . . . . 94 SER N . 10288 1 1086 . 1 1 96 96 ASN HA H 1 4.770 0.030 . 1 . . . . 96 ASN HA . 10288 1 1087 . 1 1 96 96 ASN HB2 H 1 2.751 0.030 . 2 . . . . 96 ASN HB2 . 10288 1 1088 . 1 1 96 96 ASN HB3 H 1 2.846 0.030 . 2 . . . . 96 ASN HB3 . 10288 1 1089 . 1 1 96 96 ASN HD21 H 1 7.591 0.030 . 2 . . . . 96 ASN HD21 . 10288 1 1090 . 1 1 96 96 ASN HD22 H 1 6.900 0.030 . 2 . . . . 96 ASN HD22 . 10288 1 1091 . 1 1 96 96 ASN C C 13 175.161 0.300 . 1 . . . . 96 ASN C . 10288 1 1092 . 1 1 96 96 ASN CA C 13 53.395 0.300 . 1 . . . . 96 ASN CA . 10288 1 1093 . 1 1 96 96 ASN CB C 13 38.999 0.300 . 1 . . . . 96 ASN CB . 10288 1 1094 . 1 1 96 96 ASN ND2 N 15 112.981 0.300 . 1 . . . . 96 ASN ND2 . 10288 1 1095 . 1 1 97 97 SER H H 1 8.230 0.030 . 1 . . . . 97 SER H . 10288 1 1096 . 1 1 97 97 SER HA H 1 4.481 0.030 . 1 . . . . 97 SER HA . 10288 1 1097 . 1 1 97 97 SER HB2 H 1 3.852 0.030 . 1 . . . . 97 SER HB2 . 10288 1 1098 . 1 1 97 97 SER HB3 H 1 3.852 0.030 . 1 . . . . 97 SER HB3 . 10288 1 1099 . 1 1 97 97 SER C C 13 174.482 0.300 . 1 . . . . 97 SER C . 10288 1 1100 . 1 1 97 97 SER CA C 13 58.300 0.300 . 1 . . . . 97 SER CA . 10288 1 1101 . 1 1 97 97 SER CB C 13 63.697 0.300 . 1 . . . . 97 SER CB . 10288 1 1102 . 1 1 97 97 SER N N 15 115.866 0.300 . 1 . . . . 97 SER N . 10288 1 1103 . 1 1 98 98 GLY H H 1 8.228 0.030 . 1 . . . . 98 GLY H . 10288 1 1104 . 1 1 98 98 GLY HA2 H 1 4.098 0.030 . 1 . . . . 98 GLY HA2 . 10288 1 1105 . 1 1 98 98 GLY HA3 H 1 4.098 0.030 . 1 . . . . 98 GLY HA3 . 10288 1 1106 . 1 1 98 98 GLY C C 13 171.788 0.300 . 1 . . . . 98 GLY C . 10288 1 1107 . 1 1 98 98 GLY CA C 13 44.803 0.300 . 1 . . . . 98 GLY CA . 10288 1 1108 . 1 1 98 98 GLY N N 15 110.658 0.300 . 1 . . . . 98 GLY N . 10288 1 1109 . 1 1 99 99 PRO HA H 1 4.463 0.030 . 1 . . . . 99 PRO HA . 10288 1 1110 . 1 1 99 99 PRO HB2 H 1 2.279 0.030 . 2 . . . . 99 PRO HB2 . 10288 1 1111 . 1 1 99 99 PRO HB3 H 1 1.956 0.030 . 2 . . . . 99 PRO HB3 . 10288 1 1112 . 1 1 99 99 PRO HD2 H 1 3.603 0.030 . 1 . . . . 99 PRO HD2 . 10288 1 1113 . 1 1 99 99 PRO HD3 H 1 3.603 0.030 . 1 . . . . 99 PRO HD3 . 10288 1 1114 . 1 1 99 99 PRO HG2 H 1 1.987 0.030 . 1 . . . . 99 PRO HG2 . 10288 1 1115 . 1 1 99 99 PRO HG3 H 1 1.987 0.030 . 1 . . . . 99 PRO HG3 . 10288 1 1116 . 1 1 99 99 PRO CA C 13 63.230 0.300 . 1 . . . . 99 PRO CA . 10288 1 1117 . 1 1 99 99 PRO CB C 13 32.044 0.300 . 1 . . . . 99 PRO CB . 10288 1 1118 . 1 1 99 99 PRO CD C 13 49.712 0.300 . 1 . . . . 99 PRO CD . 10288 1 1119 . 1 1 99 99 PRO CG C 13 27.215 0.300 . 1 . . . . 99 PRO CG . 10288 1 1120 . 1 1 100 100 SER H H 1 8.514 0.030 . 1 . . . . 100 SER H . 10288 1 1121 . 1 1 100 100 SER CA C 13 58.450 0.300 . 1 . . . . 100 SER CA . 10288 1 1122 . 1 1 100 100 SER CB C 13 63.889 0.300 . 1 . . . . 100 SER CB . 10288 1 1123 . 1 1 100 100 SER N N 15 116.424 0.300 . 1 . . . . 100 SER N . 10288 1 stop_ save_