data_18165 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18165 _Entry.Title ; Enterohaemorrhagic E. coli (EHEC) exploits a tryptophan switch to hijack host F-actin assembly ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-28 _Entry.Accession_date 2011-12-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Olli Aitio . . . 18165 2 Maarit Hellman . . . 18165 3 Brian Skehan . . . 18165 4 Tapio Kesti . . . 18165 5 John Leong . M. . 18165 6 Kalle Saksela . . . 18165 7 Perttu Permi . . . 18165 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 'not applicable' 'not applicable' . 18165 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Protein complex' . 18165 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18165 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 584 18165 '15N chemical shifts' 158 18165 '1H chemical shifts' 1179 18165 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-13 2011-12-28 update BMRB 'update entry citation' 18165 1 . . 2012-08-27 2011-12-28 original author 'original release' 18165 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LNH 'BMRB Entry Tracking System' 18165 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18165 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22921828 _Citation.Full_citation . _Citation.Title 'Enterohaemorrhagic Escherichia coli exploits a tryptophan switch to hijack host f-actin assembly.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 20 _Citation.Journal_issue 10 _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 1692 _Citation.Page_last 1703 _Citation.Year 2012 _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 Olli Aitio . . . 18165 1 2 Maarit Hellman . . . 18165 1 3 Brian Skehan . . . 18165 1 4 Tapio Kesti . . . 18165 1 5 John Leong . M. . 18165 1 6 Kalle Saksela . . . 18165 1 7 Perttu Permi . . . 18165 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18165 _Assembly.ID 1 _Assembly.Name 'Enterohaemorrhagic E. coli (EHEC)' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 entity_1 1 $entity_1 A . yes native no no . . . 18165 1 2 entity_2 2 $entity_2 B . yes native no no . . . 18165 1 3 entity_3 3 $entity_3 C . yes native no no . . . 18165 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18165 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSNFQHIGHVGWDPNTGFDL NNLDPELKNLFDMCGISEAQ LKDRETSKVIYDFIEKTGGV EAVKN ; _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 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7262.089 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 26643 . GBD-Nck . . . . . 98.46 108 100.00 100.00 3.42e-39 . . . . 18165 1 2 no PDB 2LNH . "Enterohaemorrhagic E. Coli (Ehec) Exploits A Tryptophan Switch To Hijack Host F-Actin Assembly" . . . . . 100.00 65 100.00 100.00 1.30e-39 . . . . 18165 1 3 no DBJ BAA11082 . "N-WASP [Bos taurus]" . . . . . 98.46 505 100.00 100.00 4.18e-38 . . . . 18165 1 4 no DBJ BAA21534 . "N-WASP [Rattus rattus]" . . . . . 98.46 501 100.00 100.00 5.30e-38 . . . . 18165 1 5 no DBJ BAE25143 . "unnamed protein product [Mus musculus]" . . . . . 98.46 443 100.00 100.00 8.66e-38 . . . . 18165 1 6 no DBJ BAE25639 . "unnamed protein product [Mus musculus]" . . . . . 98.46 501 100.00 100.00 5.30e-38 . . . . 18165 1 7 no DBJ BAE28201 . "unnamed protein product [Mus musculus]" . . . . . 98.46 414 100.00 100.00 6.36e-38 . . . . 18165 1 8 no EMBL CAC69994 . "N-WASP protein [Mus musculus]" . . . . . 98.46 501 100.00 100.00 5.30e-38 . . . . 18165 1 9 no EMBL CAH89371 . "hypothetical protein [Pongo abelii]" . . . . . 98.46 506 100.00 100.00 5.13e-38 . . . . 18165 1 10 no EMBL CAH91010 . "hypothetical protein [Pongo abelii]" . . . . . 98.46 494 100.00 100.00 5.08e-38 . . . . 18165 1 11 no EMBL CAL26602 . "WASL protein [Homo sapiens]" . . . . . 98.46 505 100.00 100.00 4.76e-38 . . . . 18165 1 12 no GB AAH52955 . "Wiskott-Aldrich syndrome-like [Homo sapiens]" . . . . . 98.46 505 100.00 100.00 4.76e-38 . . . . 18165 1 13 no GB AAH55045 . "Wiskott-Aldrich syndrome-like (human) [Mus musculus]" . . . . . 98.46 501 100.00 100.00 5.57e-38 . . . . 18165 1 14 no GB AAI51608 . "Wiskott-Aldrich syndrome-like [Bos taurus]" . . . . . 98.46 505 100.00 100.00 3.71e-38 . . . . 18165 1 15 no GB AAQ96857 . "unknown [Homo sapiens]" . . . . . 98.46 505 100.00 100.00 4.76e-38 . . . . 18165 1 16 no GB AAV38348 . "Wiskott-Aldrich syndrome-like [synthetic construct]" . . . . . 98.46 506 100.00 100.00 4.69e-38 . . . . 18165 1 17 no REF NP_001103835 . "neural Wiskott-Aldrich syndrome protein [Rattus norvegicus]" . . . . . 98.46 501 100.00 100.00 5.57e-38 . . . . 18165 1 18 no REF NP_001128797 . "neural Wiskott-Aldrich syndrome protein [Pongo abelii]" . . . . . 98.46 505 100.00 100.00 5.00e-38 . . . . 18165 1 19 no REF NP_001253726 . "neural Wiskott-Aldrich syndrome protein [Macaca mulatta]" . . . . . 98.46 505 100.00 100.00 5.00e-38 . . . . 18165 1 20 no REF NP_003932 . "neural Wiskott-Aldrich syndrome protein [Homo sapiens]" . . . . . 98.46 505 100.00 100.00 4.76e-38 . . . . 18165 1 21 no REF NP_082735 . "neural Wiskott-Aldrich syndrome protein isoform 1 [Mus musculus]" . . . . . 98.46 501 100.00 100.00 5.30e-38 . . . . 18165 1 22 no SP O00401 . "RecName: Full=Neural Wiskott-Aldrich syndrome protein; Short=N-WASP" . . . . . 98.46 505 100.00 100.00 4.76e-38 . . . . 18165 1 23 no SP O08816 . "RecName: Full=Neural Wiskott-Aldrich syndrome protein; Short=N-WASP" . . . . . 98.46 501 100.00 100.00 5.30e-38 . . . . 18165 1 24 no SP Q91YD9 . "RecName: Full=Neural Wiskott-Aldrich syndrome protein; Short=N-WASP" . . . . . 98.46 501 100.00 100.00 5.30e-38 . . . . 18165 1 25 no SP Q95107 . "RecName: Full=Neural Wiskott-Aldrich syndrome protein; Short=N-WASP" . . . . . 98.46 505 100.00 100.00 4.18e-38 . . . . 18165 1 26 no TPG DAA30422 . "TPA: neural Wiskott-Aldrich syndrome protein [Bos taurus]" . . . . . 98.46 505 100.00 100.00 4.18e-38 . . . . 18165 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 . 18165 1 2 . SER . 18165 1 3 . ASN . 18165 1 4 . PHE . 18165 1 5 . GLN . 18165 1 6 . HIS . 18165 1 7 . ILE . 18165 1 8 . GLY . 18165 1 9 . HIS . 18165 1 10 . VAL . 18165 1 11 . GLY . 18165 1 12 . TRP . 18165 1 13 . ASP . 18165 1 14 . PRO . 18165 1 15 . ASN . 18165 1 16 . THR . 18165 1 17 . GLY . 18165 1 18 . PHE . 18165 1 19 . ASP . 18165 1 20 . LEU . 18165 1 21 . ASN . 18165 1 22 . ASN . 18165 1 23 . LEU . 18165 1 24 . ASP . 18165 1 25 . PRO . 18165 1 26 . GLU . 18165 1 27 . LEU . 18165 1 28 . LYS . 18165 1 29 . ASN . 18165 1 30 . LEU . 18165 1 31 . PHE . 18165 1 32 . ASP . 18165 1 33 . MET . 18165 1 34 . CYS . 18165 1 35 . GLY . 18165 1 36 . ILE . 18165 1 37 . SER . 18165 1 38 . GLU . 18165 1 39 . ALA . 18165 1 40 . GLN . 18165 1 41 . LEU . 18165 1 42 . LYS . 18165 1 43 . ASP . 18165 1 44 . ARG . 18165 1 45 . GLU . 18165 1 46 . THR . 18165 1 47 . SER . 18165 1 48 . LYS . 18165 1 49 . VAL . 18165 1 50 . ILE . 18165 1 51 . TYR . 18165 1 52 . ASP . 18165 1 53 . PHE . 18165 1 54 . ILE . 18165 1 55 . GLU . 18165 1 56 . LYS . 18165 1 57 . THR . 18165 1 58 . GLY . 18165 1 59 . GLY . 18165 1 60 . VAL . 18165 1 61 . GLU . 18165 1 62 . ALA . 18165 1 63 . VAL . 18165 1 64 . LYS . 18165 1 65 . ASN . 18165 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 18165 1 . SER 2 2 18165 1 . ASN 3 3 18165 1 . PHE 4 4 18165 1 . GLN 5 5 18165 1 . HIS 6 6 18165 1 . ILE 7 7 18165 1 . GLY 8 8 18165 1 . HIS 9 9 18165 1 . VAL 10 10 18165 1 . GLY 11 11 18165 1 . TRP 12 12 18165 1 . ASP 13 13 18165 1 . PRO 14 14 18165 1 . ASN 15 15 18165 1 . THR 16 16 18165 1 . GLY 17 17 18165 1 . PHE 18 18 18165 1 . ASP 19 19 18165 1 . LEU 20 20 18165 1 . ASN 21 21 18165 1 . ASN 22 22 18165 1 . LEU 23 23 18165 1 . ASP 24 24 18165 1 . PRO 25 25 18165 1 . GLU 26 26 18165 1 . LEU 27 27 18165 1 . LYS 28 28 18165 1 . ASN 29 29 18165 1 . LEU 30 30 18165 1 . PHE 31 31 18165 1 . ASP 32 32 18165 1 . MET 33 33 18165 1 . CYS 34 34 18165 1 . GLY 35 35 18165 1 . ILE 36 36 18165 1 . SER 37 37 18165 1 . GLU 38 38 18165 1 . ALA 39 39 18165 1 . GLN 40 40 18165 1 . LEU 41 41 18165 1 . LYS 42 42 18165 1 . ASP 43 43 18165 1 . ARG 44 44 18165 1 . GLU 45 45 18165 1 . THR 46 46 18165 1 . SER 47 47 18165 1 . LYS 48 48 18165 1 . VAL 49 49 18165 1 . ILE 50 50 18165 1 . TYR 51 51 18165 1 . ASP 52 52 18165 1 . PHE 53 53 18165 1 . ILE 54 54 18165 1 . GLU 55 55 18165 1 . LYS 56 56 18165 1 . THR 57 57 18165 1 . GLY 58 58 18165 1 . GLY 59 59 18165 1 . VAL 60 60 18165 1 . GLU 61 61 18165 1 . ALA 62 62 18165 1 . VAL 63 63 18165 1 . LYS 64 64 18165 1 . ASN 65 65 18165 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 18165 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMKKQKVKTIFPHTAGSN KTLLSFAQGDVITLLIPEEK DGWLYGEHDVSKARGWFPSS YTKLLEE ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7559.687 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 BMRB 16909 . IRTKS-SH3 . . . . . 100.00 67 100.00 100.00 9.06e-41 . . . . 18165 2 2 no PDB 2KXC . "1h, 13c, And 15n Chemical Shift Assignments For Irtks-Sh3 And Espfu- R47 Complex" . . . . . 100.00 67 100.00 100.00 9.06e-41 . . . . 18165 2 3 no PDB 2LNH . "Enterohaemorrhagic E. Coli (Ehec) Exploits A Tryptophan Switch To Hijack Host F-Actin Assembly" . . . . . 100.00 67 100.00 100.00 9.06e-41 . . . . 18165 2 4 no DBJ BAB15671 . "unnamed protein product [Homo sapiens]" . . . . . 95.52 174 100.00 100.00 8.20e-39 . . . . 18165 2 5 no GB AAD20937 . "similar to insulin receptor substrate BAP2; similar to PID:g4126477 [Homo sapiens]" . . . . . 95.52 414 100.00 100.00 1.14e-36 . . . . 18165 2 6 no GB AAF17223 . "insulin receptor tyrosine kinase substrate [Homo sapiens]" . . . . . 95.52 511 100.00 100.00 1.28e-36 . . . . 18165 2 7 no GB AAH13888 . "BAI1-associated protein 2-like 1 [Homo sapiens]" . . . . . 95.52 511 100.00 100.00 1.28e-36 . . . . 18165 2 8 no GB ACE87078 . "BAI1-associated protein 2-like 1 protein [synthetic construct]" . . . . . 95.52 511 100.00 100.00 1.28e-36 . . . . 18165 2 9 no GB ACE87758 . "BAI1-associated protein 2-like 1 protein [synthetic construct]" . . . . . 95.52 511 100.00 100.00 1.28e-36 . . . . 18165 2 10 no REF NP_061330 . "brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1 [Homo sapiens]" . . . . . 95.52 511 100.00 100.00 1.28e-36 . . . . 18165 2 11 no REF XP_001110709 . "PREDICTED: brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1-like [Macaca mulatta]" . . . . . 95.52 461 98.44 100.00 2.57e-36 . . . . 18165 2 12 no REF XP_002817749 . "PREDICTED: brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1 [Pongo abelii]" . . . . . 95.52 414 100.00 100.00 1.20e-36 . . . . 18165 2 13 no REF XP_003278101 . "PREDICTED: brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1 [Nomascus leucogenys]" . . . . . 95.52 513 98.44 100.00 2.98e-36 . . . . 18165 2 14 no REF XP_003895772 . "PREDICTED: brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1 isoform X2 [Papio anubis]" . . . . . 95.52 492 98.44 100.00 3.73e-36 . . . . 18165 2 15 no SP Q9UHR4 . "RecName: Full=Brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1; Short=BAI1-associated protein 2-like" . . . . . 95.52 511 100.00 100.00 1.28e-36 . . . . 18165 2 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 . 18165 2 2 . SER . 18165 2 3 . HIS . 18165 2 4 . MET . 18165 2 5 . LYS . 18165 2 6 . LYS . 18165 2 7 . GLN . 18165 2 8 . LYS . 18165 2 9 . VAL . 18165 2 10 . LYS . 18165 2 11 . THR . 18165 2 12 . ILE . 18165 2 13 . PHE . 18165 2 14 . PRO . 18165 2 15 . HIS . 18165 2 16 . THR . 18165 2 17 . ALA . 18165 2 18 . GLY . 18165 2 19 . SER . 18165 2 20 . ASN . 18165 2 21 . LYS . 18165 2 22 . THR . 18165 2 23 . LEU . 18165 2 24 . LEU . 18165 2 25 . SER . 18165 2 26 . PHE . 18165 2 27 . ALA . 18165 2 28 . GLN . 18165 2 29 . GLY . 18165 2 30 . ASP . 18165 2 31 . VAL . 18165 2 32 . ILE . 18165 2 33 . THR . 18165 2 34 . LEU . 18165 2 35 . LEU . 18165 2 36 . ILE . 18165 2 37 . PRO . 18165 2 38 . GLU . 18165 2 39 . GLU . 18165 2 40 . LYS . 18165 2 41 . ASP . 18165 2 42 . GLY . 18165 2 43 . TRP . 18165 2 44 . LEU . 18165 2 45 . TYR . 18165 2 46 . GLY . 18165 2 47 . GLU . 18165 2 48 . HIS . 18165 2 49 . ASP . 18165 2 50 . VAL . 18165 2 51 . SER . 18165 2 52 . LYS . 18165 2 53 . ALA . 18165 2 54 . ARG . 18165 2 55 . GLY . 18165 2 56 . TRP . 18165 2 57 . PHE . 18165 2 58 . PRO . 18165 2 59 . SER . 18165 2 60 . SER . 18165 2 61 . TYR . 18165 2 62 . THR . 18165 2 63 . LYS . 18165 2 64 . LEU . 18165 2 65 . LEU . 18165 2 66 . GLU . 18165 2 67 . GLU . 18165 2 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 18165 2 . SER 2 2 18165 2 . HIS 3 3 18165 2 . MET 4 4 18165 2 . LYS 5 5 18165 2 . LYS 6 6 18165 2 . GLN 7 7 18165 2 . LYS 8 8 18165 2 . VAL 9 9 18165 2 . LYS 10 10 18165 2 . THR 11 11 18165 2 . ILE 12 12 18165 2 . PHE 13 13 18165 2 . PRO 14 14 18165 2 . HIS 15 15 18165 2 . THR 16 16 18165 2 . ALA 17 17 18165 2 . GLY 18 18 18165 2 . SER 19 19 18165 2 . ASN 20 20 18165 2 . LYS 21 21 18165 2 . THR 22 22 18165 2 . LEU 23 23 18165 2 . LEU 24 24 18165 2 . SER 25 25 18165 2 . PHE 26 26 18165 2 . ALA 27 27 18165 2 . GLN 28 28 18165 2 . GLY 29 29 18165 2 . ASP 30 30 18165 2 . VAL 31 31 18165 2 . ILE 32 32 18165 2 . THR 33 33 18165 2 . LEU 34 34 18165 2 . LEU 35 35 18165 2 . ILE 36 36 18165 2 . PRO 37 37 18165 2 . GLU 38 38 18165 2 . GLU 39 39 18165 2 . LYS 40 40 18165 2 . ASP 41 41 18165 2 . GLY 42 42 18165 2 . TRP 43 43 18165 2 . LEU 44 44 18165 2 . TYR 45 45 18165 2 . GLY 46 46 18165 2 . GLU 47 47 18165 2 . HIS 48 48 18165 2 . ASP 49 49 18165 2 . VAL 50 50 18165 2 . SER 51 51 18165 2 . LYS 52 52 18165 2 . ALA 53 53 18165 2 . ARG 54 54 18165 2 . GLY 55 55 18165 2 . TRP 56 56 18165 2 . PHE 57 57 18165 2 . PRO 58 58 18165 2 . SER 59 59 18165 2 . SER 60 60 18165 2 . TYR 61 61 18165 2 . THR 62 62 18165 2 . LYS 63 63 18165 2 . LEU 64 64 18165 2 . LEU 65 65 18165 2 . GLU 66 66 18165 2 . GLU 67 67 18165 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 18165 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GLPDVAQRLMQHLAEHGIQP ARNMAEHIPPAPNWPAPTPP VQNEQSRP ; _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 48 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5244.970 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 BMRB 16824 . R33 . . . . . 68.75 36 100.00 100.00 8.06e-14 . . . . 18165 3 2 no PDB 2K42 . "Solution Structure Of The Gtpase Binding Domain Of Wasp In Complex With Espfu, An Ehec Effector" . . . . . 68.75 36 100.00 100.00 8.06e-14 . . . . 18165 3 3 no PDB 2KXC . "1h, 13c, And 15n Chemical Shift Assignments For Irtks-Sh3 And Espfu- R47 Complex" . . . . . 100.00 48 100.00 100.00 1.69e-24 . . . . 18165 3 4 no PDB 2LNH . "Enterohaemorrhagic E. Coli (Ehec) Exploits A Tryptophan Switch To Hijack Host F-Actin Assembly" . . . . . 100.00 48 100.00 100.00 1.69e-24 . . . . 18165 3 5 no GB EHU63438 . "tir-cytoskeleton coupling protein, partial [Escherichia coli DEC3A]" . . . . . 97.92 79 100.00 100.00 6.41e-23 . . . . 18165 3 6 no GB EHW64582 . "type III secreted effector protein [Escherichia coli DEC10A]" . . . . . 64.58 98 100.00 100.00 1.99e-08 . . . . 18165 3 7 no GB EIO83229 . "espF-like protein [Escherichia coli TW10119]" . . . . . 97.92 127 100.00 100.00 1.12e-22 . . . . 18165 3 8 no GB EKW91176 . "tir-cytoskeleton coupling protein, partial [Escherichia coli 99.0678]" . . . . . 81.25 158 100.00 100.00 1.40e-16 . . . . 18165 3 9 no GB ELV28821 . "espF repeat family protein, partial [Escherichia coli 99.0815]" . . . . . 70.83 78 100.00 100.00 6.02e-14 . . . . 18165 3 10 no REF WP_000807599 . "hypothetical protein, partial [Escherichia coli]" . . . . . 75.00 202 97.22 97.22 3.05e-13 . . . . 18165 3 11 no REF WP_001431335 . "type III secreted effector protein [Escherichia coli]" . . . . . 64.58 98 100.00 100.00 1.99e-08 . . . . 18165 3 12 no REF WP_032163511 . "hypothetical protein, partial [Escherichia coli]" . . . . . 97.92 115 97.87 97.87 1.51e-21 . . . . 18165 3 13 no REF WP_032165213 . "hypothetical protein, partial [Escherichia coli]" . . . . . 66.67 252 100.00 100.00 6.44e-12 . . . . 18165 3 14 no REF WP_032271112 . "molecular chaperone Tir, partial [Escherichia coli]" . . . . . 95.83 179 97.83 100.00 2.35e-22 . . . . 18165 3 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 . 18165 3 2 . LEU . 18165 3 3 . PRO . 18165 3 4 . ASP . 18165 3 5 . VAL . 18165 3 6 . ALA . 18165 3 7 . GLN . 18165 3 8 . ARG . 18165 3 9 . LEU . 18165 3 10 . MET . 18165 3 11 . GLN . 18165 3 12 . HIS . 18165 3 13 . LEU . 18165 3 14 . ALA . 18165 3 15 . GLU . 18165 3 16 . HIS . 18165 3 17 . GLY . 18165 3 18 . ILE . 18165 3 19 . GLN . 18165 3 20 . PRO . 18165 3 21 . ALA . 18165 3 22 . ARG . 18165 3 23 . ASN . 18165 3 24 . MET . 18165 3 25 . ALA . 18165 3 26 . GLU . 18165 3 27 . HIS . 18165 3 28 . ILE . 18165 3 29 . PRO . 18165 3 30 . PRO . 18165 3 31 . ALA . 18165 3 32 . PRO . 18165 3 33 . ASN . 18165 3 34 . TRP . 18165 3 35 . PRO . 18165 3 36 . ALA . 18165 3 37 . PRO . 18165 3 38 . THR . 18165 3 39 . PRO . 18165 3 40 . PRO . 18165 3 41 . VAL . 18165 3 42 . GLN . 18165 3 43 . ASN . 18165 3 44 . GLU . 18165 3 45 . GLN . 18165 3 46 . SER . 18165 3 47 . ARG . 18165 3 48 . PRO . 18165 3 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 18165 3 . LEU 2 2 18165 3 . PRO 3 3 18165 3 . ASP 4 4 18165 3 . VAL 5 5 18165 3 . ALA 6 6 18165 3 . GLN 7 7 18165 3 . ARG 8 8 18165 3 . LEU 9 9 18165 3 . MET 10 10 18165 3 . GLN 11 11 18165 3 . HIS 12 12 18165 3 . LEU 13 13 18165 3 . ALA 14 14 18165 3 . GLU 15 15 18165 3 . HIS 16 16 18165 3 . GLY 17 17 18165 3 . ILE 18 18 18165 3 . GLN 19 19 18165 3 . PRO 20 20 18165 3 . ALA 21 21 18165 3 . ARG 22 22 18165 3 . ASN 23 23 18165 3 . MET 24 24 18165 3 . ALA 25 25 18165 3 . GLU 26 26 18165 3 . HIS 27 27 18165 3 . ILE 28 28 18165 3 . PRO 29 29 18165 3 . PRO 30 30 18165 3 . ALA 31 31 18165 3 . PRO 32 32 18165 3 . ASN 33 33 18165 3 . TRP 34 34 18165 3 . PRO 35 35 18165 3 . ALA 36 36 18165 3 . PRO 37 37 18165 3 . THR 38 38 18165 3 . PRO 39 39 18165 3 . PRO 40 40 18165 3 . VAL 41 41 18165 3 . GLN 42 42 18165 3 . ASN 43 43 18165 3 . GLU 44 44 18165 3 . GLN 45 45 18165 3 . SER 46 46 18165 3 . ARG 47 47 18165 3 . PRO 48 48 18165 3 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 18165 _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 . . . . . . . . . . . . . . . . . . . . . 18165 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18165 1 3 3 $entity_3 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli O157:H7 . . . . . . . . . . . . . . . . . . . . 18165 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 18165 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . . . . 18165 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . . . . 18165 1 3 3 $entity_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . . . . 18165 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18165 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 entity_1 '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 18165 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 0.3 . . mM . . . . 18165 1 3 entity_3 'natural abundance' . . 3 $entity_3 . . 0.3 . . mM . . . . 18165 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18165 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18165 1 6 Na-PO4 'natural abundance' . . . . . . 20 . . mM . . . . 18165 1 7 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18165 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18165 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 entity_1 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 18165 2 2 entity_2 '[U-98% 13C; U-98% 15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 18165 2 3 entity_3 'natural abundance' . . 3 $entity_3 . . 0.5 . . mM . . . . 18165 2 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18165 2 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18165 2 6 Na-PO4 'natural abundance' . . . . . . 20 . . mM . . . . 18165 2 7 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18165 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18165 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 entity_1 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 18165 3 2 entity_2 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM . . . . 18165 3 3 entity_3 '[U-98% 13C; U-98% 15N]' . . 3 $entity_3 . . 0.5 . . mM . . . . 18165 3 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18165 3 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18165 3 6 Na-PO4 'natural abundance' . . . . . . 20 . . mM . . . . 18165 3 7 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18165 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18165 _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' 50 . mM 18165 1 pH 7 . pH 18165 1 pressure 1 . atm 18165 1 temperature 298 . K 18165 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18165 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18165 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18165 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18165 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18165 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18165 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18165 _Software.ID 3 _Software.Name AMBER _Software.Version 8.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 18165 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18165 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18165 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18165 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 18165 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18165 1 2 spectrometer_2 Varian INOVA . 800 . . . 18165 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 18165 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 9 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 13 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 15 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 16 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 17 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 18 '3D C(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 19 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 20 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 21 '3D H(CCO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 22 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 23 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 24 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 25 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 26 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 27 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 28 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 29 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 30 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18165 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18165 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Chemical shifts were referenced to TSP indirectly using water signal as an internal reference.' 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 carbon' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 18165 1 H 1 water protons . . . . ppm 4.783 internal indirect 1 . . . . . . . . . 18165 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 18165 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18165 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18165 1 2 '2D 1H-15N HSQC' . . . 18165 1 3 '2D 1H-15N HSQC' . . . 18165 1 4 '2D 1H-13C HSQC' . . . 18165 1 5 '2D 1H-13C HSQC' . . . 18165 1 7 '3D HNCACB' . . . 18165 1 8 '3D HNCACB' . . . 18165 1 9 '3D HNCACB' . . . 18165 1 10 '3D CBCA(CO)NH' . . . 18165 1 11 '3D CBCA(CO)NH' . . . 18165 1 12 '3D CBCA(CO)NH' . . . 18165 1 13 '3D HBHA(CO)NH' . . . 18165 1 14 '3D HBHA(CO)NH' . . . 18165 1 15 '3D HBHA(CO)NH' . . . 18165 1 16 '3D C(CO)NH' . . . 18165 1 17 '3D C(CO)NH' . . . 18165 1 18 '3D C(CO)NH' . . . 18165 1 19 '3D H(CCO)NH' . . . 18165 1 20 '3D H(CCO)NH' . . . 18165 1 21 '3D H(CCO)NH' . . . 18165 1 22 '3D HCCH-COSY' . . . 18165 1 23 '3D HCCH-COSY' . . . 18165 1 24 '3D HCCH-COSY' . . . 18165 1 25 '3D 1H-15N NOESY' . . . 18165 1 26 '3D 1H-15N NOESY' . . . 18165 1 27 '3D 1H-15N NOESY' . . . 18165 1 28 '3D 1H-13C NOESY' . . . 18165 1 29 '3D 1H-13C NOESY' . . . 18165 1 30 '3D 1H-13C NOESY' . . . 18165 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 3 3 ASN HA H 1 4.659 0.020 . 1 . . . A 3 ASN HA . 18165 1 2 . 1 1 3 3 ASN HB2 H 1 2.676 0.020 . 2 . . . A 3 ASN HB2 . 18165 1 3 . 1 1 3 3 ASN HB3 H 1 2.633 0.020 . 2 . . . A 3 ASN HB3 . 18165 1 4 . 1 1 3 3 ASN CA C 13 53.510 0.400 . 1 . . . A 3 ASN CA . 18165 1 5 . 1 1 3 3 ASN CB C 13 39.050 0.400 . 1 . . . A 3 ASN CB . 18165 1 6 . 1 1 4 4 PHE H H 1 8.250 0.020 . 1 . . . A 4 PHE H . 18165 1 7 . 1 1 4 4 PHE HA H 1 4.560 0.020 . 1 . . . A 4 PHE HA . 18165 1 8 . 1 1 4 4 PHE HB2 H 1 3.109 0.020 . 2 . . . A 4 PHE HB2 . 18165 1 9 . 1 1 4 4 PHE HB3 H 1 2.939 0.020 . 2 . . . A 4 PHE HB3 . 18165 1 10 . 1 1 4 4 PHE HD1 H 1 7.169 0.020 . 3 . . . A 4 PHE HD1 . 18165 1 11 . 1 1 4 4 PHE HD2 H 1 7.169 0.020 . 3 . . . A 4 PHE HD2 . 18165 1 12 . 1 1 4 4 PHE HE1 H 1 7.253 0.020 . 3 . . . A 4 PHE HE1 . 18165 1 13 . 1 1 4 4 PHE HE2 H 1 7.253 0.020 . 3 . . . A 4 PHE HE2 . 18165 1 14 . 1 1 4 4 PHE HZ H 1 7.254 0.020 . 1 . . . A 4 PHE HZ . 18165 1 15 . 1 1 4 4 PHE CA C 13 57.986 0.400 . 1 . . . A 4 PHE CA . 18165 1 16 . 1 1 4 4 PHE CB C 13 39.494 0.400 . 1 . . . A 4 PHE CB . 18165 1 17 . 1 1 4 4 PHE CD1 C 13 131.849 0.400 . 3 . . . A 4 PHE CD1 . 18165 1 18 . 1 1 4 4 PHE CE1 C 13 131.576 0.400 . 3 . . . A 4 PHE CE1 . 18165 1 19 . 1 1 4 4 PHE CZ C 13 131.100 0.400 . 1 . . . A 4 PHE CZ . 18165 1 20 . 1 1 4 4 PHE N N 15 119.754 0.400 . 1 . . . A 4 PHE N . 18165 1 21 . 1 1 5 5 GLN H H 1 8.279 0.020 . 1 . . . A 5 GLN H . 18165 1 22 . 1 1 5 5 GLN HA H 1 4.207 0.020 . 1 . . . A 5 GLN HA . 18165 1 23 . 1 1 5 5 GLN HB2 H 1 1.945 0.020 . 2 . . . A 5 GLN HB2 . 18165 1 24 . 1 1 5 5 GLN HB3 H 1 1.886 0.020 . 2 . . . A 5 GLN HB3 . 18165 1 25 . 1 1 5 5 GLN HG2 H 1 2.206 0.020 . 2 . . . A 5 GLN HG2 . 18165 1 26 . 1 1 5 5 GLN HG3 H 1 2.206 0.020 . 2 . . . A 5 GLN HG3 . 18165 1 27 . 1 1 5 5 GLN CA C 13 56.411 0.400 . 1 . . . A 5 GLN CA . 18165 1 28 . 1 1 5 5 GLN CB C 13 29.622 0.400 . 1 . . . A 5 GLN CB . 18165 1 29 . 1 1 5 5 GLN CG C 13 33.958 0.400 . 1 . . . A 5 GLN CG . 18165 1 30 . 1 1 5 5 GLN N N 15 121.417 0.400 . 1 . . . A 5 GLN N . 18165 1 31 . 1 1 6 6 HIS HA H 1 4.596 0.020 . 1 . . . A 6 HIS HA . 18165 1 32 . 1 1 6 6 HIS HB2 H 1 3.075 0.020 . 2 . . . A 6 HIS HB2 . 18165 1 33 . 1 1 6 6 HIS HB3 H 1 3.075 0.020 . 2 . . . A 6 HIS HB3 . 18165 1 34 . 1 1 6 6 HIS HD2 H 1 6.975 0.020 . 1 . . . A 6 HIS HD2 . 18165 1 35 . 1 1 6 6 HIS HE1 H 1 7.803 0.020 . 1 . . . A 6 HIS HE1 . 18165 1 36 . 1 1 6 6 HIS CA C 13 56.535 0.400 . 1 . . . A 6 HIS CA . 18165 1 37 . 1 1 6 6 HIS CB C 13 30.976 0.400 . 1 . . . A 6 HIS CB . 18165 1 38 . 1 1 6 6 HIS CD2 C 13 120.002 0.400 . 1 . . . A 6 HIS CD2 . 18165 1 39 . 1 1 6 6 HIS CE1 C 13 138.590 0.400 . 1 . . . A 6 HIS CE1 . 18165 1 40 . 1 1 7 7 ILE H H 1 7.925 0.020 . 1 . . . A 7 ILE H . 18165 1 41 . 1 1 7 7 ILE HA H 1 4.129 0.020 . 1 . . . A 7 ILE HA . 18165 1 42 . 1 1 7 7 ILE HB H 1 1.841 0.020 . 1 . . . A 7 ILE HB . 18165 1 43 . 1 1 7 7 ILE HG12 H 1 1.379 0.020 . 2 . . . A 7 ILE HG12 . 18165 1 44 . 1 1 7 7 ILE HG13 H 1 1.105 0.020 . 2 . . . A 7 ILE HG13 . 18165 1 45 . 1 1 7 7 ILE HG21 H 1 0.860 0.020 . 1 . . . A 7 ILE HG21 . 18165 1 46 . 1 1 7 7 ILE HG22 H 1 0.860 0.020 . 1 . . . A 7 ILE HG22 . 18165 1 47 . 1 1 7 7 ILE HG23 H 1 0.860 0.020 . 1 . . . A 7 ILE HG23 . 18165 1 48 . 1 1 7 7 ILE HD11 H 1 0.767 0.020 . 1 . . . A 7 ILE HD11 . 18165 1 49 . 1 1 7 7 ILE HD12 H 1 0.767 0.020 . 1 . . . A 7 ILE HD12 . 18165 1 50 . 1 1 7 7 ILE HD13 H 1 0.767 0.020 . 1 . . . A 7 ILE HD13 . 18165 1 51 . 1 1 7 7 ILE CA C 13 61.583 0.400 . 1 . . . A 7 ILE CA . 18165 1 52 . 1 1 7 7 ILE CB C 13 38.732 0.400 . 1 . . . A 7 ILE CB . 18165 1 53 . 1 1 7 7 ILE CG1 C 13 27.442 0.400 . 1 . . . A 7 ILE CG1 . 18165 1 54 . 1 1 7 7 ILE CG2 C 13 17.625 0.400 . 1 . . . A 7 ILE CG2 . 18165 1 55 . 1 1 7 7 ILE CD1 C 13 13.316 0.400 . 1 . . . A 7 ILE CD1 . 18165 1 56 . 1 1 7 7 ILE N N 15 121.869 0.400 . 1 . . . A 7 ILE N . 18165 1 57 . 1 1 8 8 GLY H H 1 8.536 0.020 . 1 . . . A 8 GLY H . 18165 1 58 . 1 1 8 8 GLY HA2 H 1 3.958 0.020 . 2 . . . A 8 GLY HA2 . 18165 1 59 . 1 1 8 8 GLY HA3 H 1 3.958 0.020 . 2 . . . A 8 GLY HA3 . 18165 1 60 . 1 1 8 8 GLY CA C 13 45.530 0.400 . 1 . . . A 8 GLY CA . 18165 1 61 . 1 1 8 8 GLY N N 15 112.522 0.400 . 1 . . . A 8 GLY N . 18165 1 62 . 1 1 9 9 HIS H H 1 8.296 0.020 . 1 . . . A 9 HIS H . 18165 1 63 . 1 1 9 9 HIS HA H 1 4.718 0.020 . 1 . . . A 9 HIS HA . 18165 1 64 . 1 1 9 9 HIS HB2 H 1 3.188 0.020 . 2 . . . A 9 HIS HB2 . 18165 1 65 . 1 1 9 9 HIS HB3 H 1 3.128 0.020 . 2 . . . A 9 HIS HB3 . 18165 1 66 . 1 1 9 9 HIS HD2 H 1 7.036 0.020 . 1 . . . A 9 HIS HD2 . 18165 1 67 . 1 1 9 9 HIS HE1 H 1 7.920 0.020 . 1 . . . A 9 HIS HE1 . 18165 1 68 . 1 1 9 9 HIS CA C 13 56.736 0.400 . 1 . . . A 9 HIS CA . 18165 1 69 . 1 1 9 9 HIS CB C 13 31.278 0.400 . 1 . . . A 9 HIS CB . 18165 1 70 . 1 1 9 9 HIS CD2 C 13 120.296 0.400 . 1 . . . A 9 HIS CD2 . 18165 1 71 . 1 1 9 9 HIS CE1 C 13 138.498 0.400 . 1 . . . A 9 HIS CE1 . 18165 1 72 . 1 1 9 9 HIS N N 15 119.940 0.400 . 1 . . . A 9 HIS N . 18165 1 73 . 1 1 10 10 VAL H H 1 8.352 0.020 . 1 . . . A 10 VAL H . 18165 1 74 . 1 1 10 10 VAL HA H 1 4.183 0.020 . 1 . . . A 10 VAL HA . 18165 1 75 . 1 1 10 10 VAL HB H 1 2.282 0.020 . 1 . . . A 10 VAL HB . 18165 1 76 . 1 1 10 10 VAL HG11 H 1 1.143 0.020 . 2 . . . A 10 VAL HG11 . 18165 1 77 . 1 1 10 10 VAL HG12 H 1 1.143 0.020 . 2 . . . A 10 VAL HG12 . 18165 1 78 . 1 1 10 10 VAL HG13 H 1 1.143 0.020 . 2 . . . A 10 VAL HG13 . 18165 1 79 . 1 1 10 10 VAL HG21 H 1 1.077 0.020 . 2 . . . A 10 VAL HG21 . 18165 1 80 . 1 1 10 10 VAL HG22 H 1 1.077 0.020 . 2 . . . A 10 VAL HG22 . 18165 1 81 . 1 1 10 10 VAL HG23 H 1 1.077 0.020 . 2 . . . A 10 VAL HG23 . 18165 1 82 . 1 1 10 10 VAL CA C 13 62.819 0.400 . 1 . . . A 10 VAL CA . 18165 1 83 . 1 1 10 10 VAL CB C 13 33.138 0.400 . 1 . . . A 10 VAL CB . 18165 1 84 . 1 1 10 10 VAL CG1 C 13 22.067 0.400 . 2 . . . A 10 VAL CG1 . 18165 1 85 . 1 1 10 10 VAL CG2 C 13 21.858 0.400 . 2 . . . A 10 VAL CG2 . 18165 1 86 . 1 1 10 10 VAL N N 15 123.124 0.400 . 1 . . . A 10 VAL N . 18165 1 87 . 1 1 11 11 GLY H H 1 8.551 0.020 . 1 . . . A 11 GLY H . 18165 1 88 . 1 1 11 11 GLY HA2 H 1 4.092 0.020 . 2 . . . A 11 GLY HA2 . 18165 1 89 . 1 1 11 11 GLY HA3 H 1 4.010 0.020 . 2 . . . A 11 GLY HA3 . 18165 1 90 . 1 1 11 11 GLY CA C 13 46.755 0.400 . 1 . . . A 11 GLY CA . 18165 1 91 . 1 1 11 11 GLY N N 15 111.709 0.400 . 1 . . . A 11 GLY N . 18165 1 92 . 1 1 12 12 TRP H H 1 7.827 0.020 . 1 . . . A 12 TRP H . 18165 1 93 . 1 1 12 12 TRP HA H 1 4.210 0.020 . 1 . . . A 12 TRP HA . 18165 1 94 . 1 1 12 12 TRP HB2 H 1 2.335 0.020 . 2 . . . A 12 TRP HB2 . 18165 1 95 . 1 1 12 12 TRP HB3 H 1 2.231 0.020 . 2 . . . A 12 TRP HB3 . 18165 1 96 . 1 1 12 12 TRP HD1 H 1 5.358 0.020 . 1 . . . A 12 TRP HD1 . 18165 1 97 . 1 1 12 12 TRP HE1 H 1 9.183 0.020 . 1 . . . A 12 TRP HE1 . 18165 1 98 . 1 1 12 12 TRP HE3 H 1 6.335 0.020 . 1 . . . A 12 TRP HE3 . 18165 1 99 . 1 1 12 12 TRP HZ2 H 1 7.144 0.020 . 1 . . . A 12 TRP HZ2 . 18165 1 100 . 1 1 12 12 TRP HZ3 H 1 6.527 0.020 . 1 . . . A 12 TRP HZ3 . 18165 1 101 . 1 1 12 12 TRP HH2 H 1 6.908 0.020 . 1 . . . A 12 TRP HH2 . 18165 1 102 . 1 1 12 12 TRP CA C 13 57.890 0.400 . 1 . . . A 12 TRP CA . 18165 1 103 . 1 1 12 12 TRP CB C 13 31.341 0.400 . 1 . . . A 12 TRP CB . 18165 1 104 . 1 1 12 12 TRP CD1 C 13 124.590 0.400 . 1 . . . A 12 TRP CD1 . 18165 1 105 . 1 1 12 12 TRP CE3 C 13 120.663 0.400 . 1 . . . A 12 TRP CE3 . 18165 1 106 . 1 1 12 12 TRP CZ2 C 13 113.145 0.400 . 1 . . . A 12 TRP CZ2 . 18165 1 107 . 1 1 12 12 TRP CZ3 C 13 120.767 0.400 . 1 . . . A 12 TRP CZ3 . 18165 1 108 . 1 1 12 12 TRP CH2 C 13 123.376 0.400 . 1 . . . A 12 TRP CH2 . 18165 1 109 . 1 1 12 12 TRP N N 15 124.308 0.400 . 1 . . . A 12 TRP N . 18165 1 110 . 1 1 12 12 TRP NE1 N 15 126.542 0.400 . 1 . . . A 12 TRP NE1 . 18165 1 111 . 1 1 13 13 ASP H H 1 6.916 0.020 . 1 . . . A 13 ASP H . 18165 1 112 . 1 1 13 13 ASP HA H 1 4.333 0.020 . 1 . . . A 13 ASP HA . 18165 1 113 . 1 1 13 13 ASP HB2 H 1 2.480 0.020 . 2 . . . A 13 ASP HB2 . 18165 1 114 . 1 1 13 13 ASP HB3 H 1 2.218 0.020 . 2 . . . A 13 ASP HB3 . 18165 1 115 . 1 1 13 13 ASP CA C 13 50.190 0.400 . 1 . . . A 13 ASP CA . 18165 1 116 . 1 1 13 13 ASP CB C 13 45.696 0.400 . 1 . . . A 13 ASP CB . 18165 1 117 . 1 1 13 13 ASP N N 15 129.079 0.400 . 1 . . . A 13 ASP N . 18165 1 118 . 1 1 14 14 PRO HA H 1 3.543 0.020 . 1 . . . A 14 PRO HA . 18165 1 119 . 1 1 14 14 PRO HB2 H 1 1.656 0.020 . 2 . . . A 14 PRO HB2 . 18165 1 120 . 1 1 14 14 PRO HB3 H 1 2.112 0.020 . 2 . . . A 14 PRO HB3 . 18165 1 121 . 1 1 14 14 PRO HG2 H 1 1.813 0.020 . 2 . . . A 14 PRO HG2 . 18165 1 122 . 1 1 14 14 PRO HG3 H 1 1.678 0.020 . 2 . . . A 14 PRO HG3 . 18165 1 123 . 1 1 14 14 PRO HD2 H 1 3.305 0.020 . 2 . . . A 14 PRO HD2 . 18165 1 124 . 1 1 14 14 PRO HD3 H 1 2.915 0.020 . 2 . . . A 14 PRO HD3 . 18165 1 125 . 1 1 14 14 PRO CA C 13 63.745 0.400 . 1 . . . A 14 PRO CA . 18165 1 126 . 1 1 14 14 PRO CB C 13 32.054 0.400 . 1 . . . A 14 PRO CB . 18165 1 127 . 1 1 14 14 PRO CG C 13 27.012 0.400 . 1 . . . A 14 PRO CG . 18165 1 128 . 1 1 14 14 PRO CD C 13 50.272 0.400 . 1 . . . A 14 PRO CD . 18165 1 129 . 1 1 15 15 ASN H H 1 8.460 0.020 . 1 . . . A 15 ASN H . 18165 1 130 . 1 1 15 15 ASN HA H 1 4.676 0.020 . 1 . . . A 15 ASN HA . 18165 1 131 . 1 1 15 15 ASN HB2 H 1 2.731 0.020 . 2 . . . A 15 ASN HB2 . 18165 1 132 . 1 1 15 15 ASN HB3 H 1 2.627 0.020 . 2 . . . A 15 ASN HB3 . 18165 1 133 . 1 1 15 15 ASN HD21 H 1 6.935 0.020 . 2 . . . A 15 ASN HD21 . 18165 1 134 . 1 1 15 15 ASN HD22 H 1 7.811 0.020 . 2 . . . A 15 ASN HD22 . 18165 1 135 . 1 1 15 15 ASN CA C 13 54.799 0.400 . 1 . . . A 15 ASN CA . 18165 1 136 . 1 1 15 15 ASN CB C 13 40.182 0.400 . 1 . . . A 15 ASN CB . 18165 1 137 . 1 1 15 15 ASN N N 15 113.293 0.400 . 1 . . . A 15 ASN N . 18165 1 138 . 1 1 15 15 ASN ND2 N 15 115.422 0.400 . 1 . . . A 15 ASN ND2 . 18165 1 139 . 1 1 16 16 THR H H 1 7.713 0.020 . 1 . . . A 16 THR H . 18165 1 140 . 1 1 16 16 THR HA H 1 4.404 0.020 . 1 . . . A 16 THR HA . 18165 1 141 . 1 1 16 16 THR HB H 1 4.358 0.020 . 1 . . . A 16 THR HB . 18165 1 142 . 1 1 16 16 THR HG21 H 1 0.976 0.020 . . . . . A 16 THR HG21 . 18165 1 143 . 1 1 16 16 THR HG22 H 1 0.976 0.020 . . . . . A 16 THR HG22 . 18165 1 144 . 1 1 16 16 THR HG23 H 1 0.976 0.020 . . . . . A 16 THR HG23 . 18165 1 145 . 1 1 16 16 THR CA C 13 61.460 0.400 . 1 . . . A 16 THR CA . 18165 1 146 . 1 1 16 16 THR CB C 13 69.888 0.400 . 1 . . . A 16 THR CB . 18165 1 147 . 1 1 16 16 THR CG2 C 13 21.547 0.400 . 1 . . . A 16 THR CG2 . 18165 1 148 . 1 1 16 16 THR N N 15 108.071 0.400 . 1 . . . A 16 THR N . 18165 1 149 . 1 1 17 17 GLY H H 1 7.915 0.020 . 1 . . . A 17 GLY H . 18165 1 150 . 1 1 17 17 GLY HA2 H 1 4.200 0.020 . 2 . . . A 17 GLY HA2 . 18165 1 151 . 1 1 17 17 GLY HA3 H 1 3.469 0.020 . 2 . . . A 17 GLY HA3 . 18165 1 152 . 1 1 17 17 GLY CA C 13 45.609 0.400 . 1 . . . A 17 GLY CA . 18165 1 153 . 1 1 17 17 GLY N N 15 110.601 0.400 . 1 . . . A 17 GLY N . 18165 1 154 . 1 1 18 18 PHE H H 1 8.655 0.020 . 1 . . . A 18 PHE H . 18165 1 155 . 1 1 18 18 PHE HA H 1 4.689 0.020 . 1 . . . A 18 PHE HA . 18165 1 156 . 1 1 18 18 PHE HB2 H 1 2.923 0.020 . 2 . . . A 18 PHE HB2 . 18165 1 157 . 1 1 18 18 PHE HB3 H 1 2.923 0.020 . 2 . . . A 18 PHE HB3 . 18165 1 158 . 1 1 18 18 PHE HD1 H 1 7.766 0.020 . 3 . . . A 18 PHE HD1 . 18165 1 159 . 1 1 18 18 PHE HD2 H 1 7.766 0.020 . 3 . . . A 18 PHE HD2 . 18165 1 160 . 1 1 18 18 PHE HE1 H 1 7.371 0.020 . 3 . . . A 18 PHE HE1 . 18165 1 161 . 1 1 18 18 PHE HE2 H 1 7.371 0.020 . 3 . . . A 18 PHE HE2 . 18165 1 162 . 1 1 18 18 PHE HZ H 1 7.012 0.020 . 1 . . . A 18 PHE HZ . 18165 1 163 . 1 1 18 18 PHE CA C 13 60.189 0.400 . 1 . . . A 18 PHE CA . 18165 1 164 . 1 1 18 18 PHE CB C 13 40.643 0.400 . 1 . . . A 18 PHE CB . 18165 1 165 . 1 1 18 18 PHE CD1 C 13 132.772 0.400 . 3 . . . A 18 PHE CD1 . 18165 1 166 . 1 1 18 18 PHE CE1 C 13 131.147 0.400 . 3 . . . A 18 PHE CE1 . 18165 1 167 . 1 1 18 18 PHE CZ C 13 129.208 0.400 . 1 . . . A 18 PHE CZ . 18165 1 168 . 1 1 18 18 PHE N N 15 121.088 0.400 . 1 . . . A 18 PHE N . 18165 1 169 . 1 1 19 19 ASP H H 1 8.312 0.020 . 1 . . . A 19 ASP H . 18165 1 170 . 1 1 19 19 ASP HA H 1 4.627 0.020 . 1 . . . A 19 ASP HA . 18165 1 171 . 1 1 19 19 ASP HB2 H 1 2.982 0.020 . 2 . . . A 19 ASP HB2 . 18165 1 172 . 1 1 19 19 ASP HB3 H 1 2.651 0.020 . 2 . . . A 19 ASP HB3 . 18165 1 173 . 1 1 19 19 ASP CA C 13 52.862 0.400 . 1 . . . A 19 ASP CA . 18165 1 174 . 1 1 19 19 ASP CB C 13 40.252 0.400 . 1 . . . A 19 ASP CB . 18165 1 175 . 1 1 19 19 ASP N N 15 119.354 0.400 . 1 . . . A 19 ASP N . 18165 1 176 . 1 1 20 20 LEU H H 1 8.587 0.020 . 1 . . . A 20 LEU H . 18165 1 177 . 1 1 20 20 LEU HA H 1 4.102 0.020 . 1 . . . A 20 LEU HA . 18165 1 178 . 1 1 20 20 LEU HB2 H 1 1.800 0.020 . 2 . . . A 20 LEU HB2 . 18165 1 179 . 1 1 20 20 LEU HB3 H 1 1.635 0.020 . 2 . . . A 20 LEU HB3 . 18165 1 180 . 1 1 20 20 LEU HG H 1 1.858 0.020 . 1 . . . A 20 LEU HG . 18165 1 181 . 1 1 20 20 LEU HD11 H 1 0.988 0.020 . 2 . . . A 20 LEU HD11 . 18165 1 182 . 1 1 20 20 LEU HD12 H 1 0.988 0.020 . 2 . . . A 20 LEU HD12 . 18165 1 183 . 1 1 20 20 LEU HD13 H 1 0.988 0.020 . 2 . . . A 20 LEU HD13 . 18165 1 184 . 1 1 20 20 LEU HD21 H 1 0.875 0.020 . 2 . . . A 20 LEU HD21 . 18165 1 185 . 1 1 20 20 LEU HD22 H 1 0.875 0.020 . 2 . . . A 20 LEU HD22 . 18165 1 186 . 1 1 20 20 LEU HD23 H 1 0.875 0.020 . 2 . . . A 20 LEU HD23 . 18165 1 187 . 1 1 20 20 LEU CA C 13 56.988 0.400 . 1 . . . A 20 LEU CA . 18165 1 188 . 1 1 20 20 LEU CB C 13 40.571 0.400 . 1 . . . A 20 LEU CB . 18165 1 189 . 1 1 20 20 LEU CG C 13 27.311 0.400 . 1 . . . A 20 LEU CG . 18165 1 190 . 1 1 20 20 LEU CD1 C 13 25.683 0.400 . 2 . . . A 20 LEU CD1 . 18165 1 191 . 1 1 20 20 LEU CD2 C 13 23.813 0.400 . 2 . . . A 20 LEU CD2 . 18165 1 192 . 1 1 20 20 LEU N N 15 125.509 0.400 . 1 . . . A 20 LEU N . 18165 1 193 . 1 1 21 21 ASN H H 1 8.288 0.020 . 1 . . . A 21 ASN H . 18165 1 194 . 1 1 21 21 ASN HA H 1 4.622 0.020 . 1 . . . A 21 ASN HA . 18165 1 195 . 1 1 21 21 ASN HB2 H 1 2.859 0.020 . 2 . . . A 21 ASN HB2 . 18165 1 196 . 1 1 21 21 ASN HB3 H 1 2.820 0.020 . 2 . . . A 21 ASN HB3 . 18165 1 197 . 1 1 21 21 ASN CA C 13 55.082 0.400 . 1 . . . A 21 ASN CA . 18165 1 198 . 1 1 21 21 ASN CB C 13 38.806 0.400 . 1 . . . A 21 ASN CB . 18165 1 199 . 1 1 21 21 ASN N N 15 115.731 0.400 . 1 . . . A 21 ASN N . 18165 1 200 . 1 1 22 22 ASN H H 1 7.441 0.020 . 1 . . . A 22 ASN H . 18165 1 201 . 1 1 22 22 ASN HA H 1 4.917 0.020 . 1 . . . A 22 ASN HA . 18165 1 202 . 1 1 22 22 ASN HB2 H 1 2.875 0.020 . 2 . . . A 22 ASN HB2 . 18165 1 203 . 1 1 22 22 ASN HB3 H 1 2.382 0.020 . 2 . . . A 22 ASN HB3 . 18165 1 204 . 1 1 22 22 ASN HD21 H 1 6.821 0.020 . 2 . . . A 22 ASN HD21 . 18165 1 205 . 1 1 22 22 ASN HD22 H 1 8.133 0.020 . 2 . . . A 22 ASN HD22 . 18165 1 206 . 1 1 22 22 ASN CA C 13 52.645 0.400 . 1 . . . A 22 ASN CA . 18165 1 207 . 1 1 22 22 ASN CB C 13 40.144 0.400 . 1 . . . A 22 ASN CB . 18165 1 208 . 1 1 22 22 ASN N N 15 117.144 0.400 . 1 . . . A 22 ASN N . 18165 1 209 . 1 1 22 22 ASN ND2 N 15 115.097 0.400 . 1 . . . A 22 ASN ND2 . 18165 1 210 . 1 1 23 23 LEU H H 1 7.228 0.020 . 1 . . . A 23 LEU H . 18165 1 211 . 1 1 23 23 LEU HA H 1 4.458 0.020 . 1 . . . A 23 LEU HA . 18165 1 212 . 1 1 23 23 LEU HB2 H 1 1.702 0.020 . 2 . . . A 23 LEU HB2 . 18165 1 213 . 1 1 23 23 LEU HB3 H 1 1.635 0.020 . 2 . . . A 23 LEU HB3 . 18165 1 214 . 1 1 23 23 LEU HG H 1 1.850 0.020 . 1 . . . A 23 LEU HG . 18165 1 215 . 1 1 23 23 LEU HD11 H 1 1.070 0.020 . 2 . . . A 23 LEU HD11 . 18165 1 216 . 1 1 23 23 LEU HD12 H 1 1.070 0.020 . 2 . . . A 23 LEU HD12 . 18165 1 217 . 1 1 23 23 LEU HD13 H 1 1.070 0.020 . 2 . . . A 23 LEU HD13 . 18165 1 218 . 1 1 23 23 LEU HD21 H 1 0.893 0.020 . 2 . . . A 23 LEU HD21 . 18165 1 219 . 1 1 23 23 LEU HD22 H 1 0.893 0.020 . 2 . . . A 23 LEU HD22 . 18165 1 220 . 1 1 23 23 LEU HD23 H 1 0.893 0.020 . 2 . . . A 23 LEU HD23 . 18165 1 221 . 1 1 23 23 LEU CA C 13 54.960 0.400 . 1 . . . A 23 LEU CA . 18165 1 222 . 1 1 23 23 LEU CB C 13 43.681 0.400 . 1 . . . A 23 LEU CB . 18165 1 223 . 1 1 23 23 LEU CG C 13 26.338 0.400 . 1 . . . A 23 LEU CG . 18165 1 224 . 1 1 23 23 LEU CD1 C 13 25.054 0.400 . 2 . . . A 23 LEU CD1 . 18165 1 225 . 1 1 23 23 LEU CD2 C 13 26.321 0.400 . 2 . . . A 23 LEU CD2 . 18165 1 226 . 1 1 23 23 LEU N N 15 122.074 0.400 . 1 . . . A 23 LEU N . 18165 1 227 . 1 1 24 24 ASP H H 1 8.835 0.020 . 1 . . . A 24 ASP H . 18165 1 228 . 1 1 24 24 ASP HA H 1 4.670 0.020 . 1 . . . A 24 ASP HA . 18165 1 229 . 1 1 24 24 ASP HB2 H 1 2.787 0.020 . 2 . . . A 24 ASP HB2 . 18165 1 230 . 1 1 24 24 ASP HB3 H 1 2.516 0.020 . 2 . . . A 24 ASP HB3 . 18165 1 231 . 1 1 24 24 ASP CA C 13 53.367 0.400 . 1 . . . A 24 ASP CA . 18165 1 232 . 1 1 24 24 ASP CB C 13 43.206 0.400 . 1 . . . A 24 ASP CB . 18165 1 233 . 1 1 24 24 ASP N N 15 129.079 0.400 . 1 . . . A 24 ASP N . 18165 1 234 . 1 1 25 25 PRO HA H 1 4.170 0.020 . 1 . . . A 25 PRO HA . 18165 1 235 . 1 1 25 25 PRO HB2 H 1 1.977 0.020 . 2 . . . A 25 PRO HB2 . 18165 1 236 . 1 1 25 25 PRO HB3 H 1 2.387 0.020 . 2 . . . A 25 PRO HB3 . 18165 1 237 . 1 1 25 25 PRO HG2 H 1 2.137 0.020 . 2 . . . A 25 PRO HG2 . 18165 1 238 . 1 1 25 25 PRO HG3 H 1 2.058 0.020 . 2 . . . A 25 PRO HG3 . 18165 1 239 . 1 1 25 25 PRO HD2 H 1 3.944 0.020 . 2 . . . A 25 PRO HD2 . 18165 1 240 . 1 1 25 25 PRO HD3 H 1 3.820 0.020 . 2 . . . A 25 PRO HD3 . 18165 1 241 . 1 1 25 25 PRO CA C 13 65.462 0.400 . 1 . . . A 25 PRO CA . 18165 1 242 . 1 1 25 25 PRO CB C 13 32.552 0.400 . 1 . . . A 25 PRO CB . 18165 1 243 . 1 1 25 25 PRO CG C 13 27.802 0.400 . 1 . . . A 25 PRO CG . 18165 1 244 . 1 1 25 25 PRO CD C 13 51.482 0.400 . 1 . . . A 25 PRO CD . 18165 1 245 . 1 1 26 26 GLU H H 1 8.882 0.020 . 1 . . . A 26 GLU H . 18165 1 246 . 1 1 26 26 GLU HA H 1 4.207 0.020 . 1 . . . A 26 GLU HA . 18165 1 247 . 1 1 26 26 GLU HB2 H 1 1.974 0.020 . 2 . . . A 26 GLU HB2 . 18165 1 248 . 1 1 26 26 GLU HB3 H 1 1.974 0.020 . 2 . . . A 26 GLU HB3 . 18165 1 249 . 1 1 26 26 GLU HG2 H 1 2.327 0.020 . 2 . . . A 26 GLU HG2 . 18165 1 250 . 1 1 26 26 GLU HG3 H 1 2.327 0.020 . 2 . . . A 26 GLU HG3 . 18165 1 251 . 1 1 26 26 GLU CA C 13 59.233 0.400 . 1 . . . A 26 GLU CA . 18165 1 252 . 1 1 26 26 GLU CB C 13 29.400 0.400 . 1 . . . A 26 GLU CB . 18165 1 253 . 1 1 26 26 GLU CG C 13 36.772 0.400 . 1 . . . A 26 GLU CG . 18165 1 254 . 1 1 26 26 GLU N N 15 117.892 0.400 . 1 . . . A 26 GLU N . 18165 1 255 . 1 1 27 27 LEU H H 1 7.433 0.020 . 1 . . . A 27 LEU H . 18165 1 256 . 1 1 27 27 LEU HA H 1 3.670 0.020 . 1 . . . A 27 LEU HA . 18165 1 257 . 1 1 27 27 LEU HB2 H 1 1.659 0.020 . 2 . . . A 27 LEU HB2 . 18165 1 258 . 1 1 27 27 LEU HB3 H 1 1.028 0.020 . 2 . . . A 27 LEU HB3 . 18165 1 259 . 1 1 27 27 LEU HG H 1 1.318 0.020 . 1 . . . A 27 LEU HG . 18165 1 260 . 1 1 27 27 LEU HD11 H 1 0.831 0.020 . 2 . . . A 27 LEU HD11 . 18165 1 261 . 1 1 27 27 LEU HD12 H 1 0.831 0.020 . 2 . . . A 27 LEU HD12 . 18165 1 262 . 1 1 27 27 LEU HD13 H 1 0.831 0.020 . 2 . . . A 27 LEU HD13 . 18165 1 263 . 1 1 27 27 LEU HD21 H 1 0.647 0.020 . 2 . . . A 27 LEU HD21 . 18165 1 264 . 1 1 27 27 LEU HD22 H 1 0.647 0.020 . 2 . . . A 27 LEU HD22 . 18165 1 265 . 1 1 27 27 LEU HD23 H 1 0.647 0.020 . 2 . . . A 27 LEU HD23 . 18165 1 266 . 1 1 27 27 LEU CA C 13 56.861 0.400 . 1 . . . A 27 LEU CA . 18165 1 267 . 1 1 27 27 LEU CB C 13 41.014 0.400 . 1 . . . A 27 LEU CB . 18165 1 268 . 1 1 27 27 LEU CG C 13 27.090 0.400 . 1 . . . A 27 LEU CG . 18165 1 269 . 1 1 27 27 LEU CD1 C 13 25.694 0.400 . 2 . . . A 27 LEU CD1 . 18165 1 270 . 1 1 27 27 LEU CD2 C 13 23.977 0.400 . 2 . . . A 27 LEU CD2 . 18165 1 271 . 1 1 27 27 LEU N N 15 119.616 0.400 . 1 . . . A 27 LEU N . 18165 1 272 . 1 1 28 28 LYS H H 1 7.828 0.020 . 1 . . . A 28 LYS H . 18165 1 273 . 1 1 28 28 LYS HA H 1 3.699 0.020 . 1 . . . A 28 LYS HA . 18165 1 274 . 1 1 28 28 LYS HB2 H 1 1.936 0.020 . 2 . . . A 28 LYS HB2 . 18165 1 275 . 1 1 28 28 LYS HB3 H 1 1.681 0.020 . 2 . . . A 28 LYS HB3 . 18165 1 276 . 1 1 28 28 LYS HG2 H 1 1.458 0.020 . 2 . . . A 28 LYS HG2 . 18165 1 277 . 1 1 28 28 LYS HG3 H 1 1.458 0.020 . 2 . . . A 28 LYS HG3 . 18165 1 278 . 1 1 28 28 LYS HD2 H 1 1.826 0.020 . 2 . . . A 28 LYS HD2 . 18165 1 279 . 1 1 28 28 LYS HD3 H 1 1.599 0.020 . 2 . . . A 28 LYS HD3 . 18165 1 280 . 1 1 28 28 LYS HE2 H 1 3.061 0.020 . 2 . . . A 28 LYS HE2 . 18165 1 281 . 1 1 28 28 LYS HE3 H 1 3.061 0.020 . 2 . . . A 28 LYS HE3 . 18165 1 282 . 1 1 28 28 LYS CA C 13 59.894 0.400 . 1 . . . A 28 LYS CA . 18165 1 283 . 1 1 28 28 LYS CB C 13 32.160 0.400 . 1 . . . A 28 LYS CB . 18165 1 284 . 1 1 28 28 LYS CG C 13 25.203 0.400 . 1 . . . A 28 LYS CG . 18165 1 285 . 1 1 28 28 LYS CD C 13 28.851 0.400 . 1 . . . A 28 LYS CD . 18165 1 286 . 1 1 28 28 LYS CE C 13 42.653 0.400 . 1 . . . A 28 LYS CE . 18165 1 287 . 1 1 28 28 LYS N N 15 118.343 0.400 . 1 . . . A 28 LYS N . 18165 1 288 . 1 1 29 29 ASN H H 1 7.909 0.020 . 1 . . . A 29 ASN H . 18165 1 289 . 1 1 29 29 ASN HA H 1 4.435 0.020 . 1 . . . A 29 ASN HA . 18165 1 290 . 1 1 29 29 ASN HB2 H 1 2.872 0.020 . 2 . . . A 29 ASN HB2 . 18165 1 291 . 1 1 29 29 ASN HB3 H 1 2.746 0.020 . 2 . . . A 29 ASN HB3 . 18165 1 292 . 1 1 29 29 ASN HD21 H 1 6.820 0.020 . 2 . . . A 29 ASN HD21 . 18165 1 293 . 1 1 29 29 ASN HD22 H 1 7.650 0.020 . 2 . . . A 29 ASN HD22 . 18165 1 294 . 1 1 29 29 ASN CA C 13 56.306 0.400 . 1 . . . A 29 ASN CA . 18165 1 295 . 1 1 29 29 ASN CB C 13 38.274 0.400 . 1 . . . A 29 ASN CB . 18165 1 296 . 1 1 29 29 ASN N N 15 115.568 0.400 . 1 . . . A 29 ASN N . 18165 1 297 . 1 1 29 29 ASN ND2 N 15 112.326 0.400 . 1 . . . A 29 ASN ND2 . 18165 1 298 . 1 1 30 30 LEU H H 1 7.498 0.020 . 1 . . . A 30 LEU H . 18165 1 299 . 1 1 30 30 LEU HA H 1 4.024 0.020 . 1 . . . A 30 LEU HA . 18165 1 300 . 1 1 30 30 LEU HB2 H 1 1.875 0.020 . 2 . . . A 30 LEU HB2 . 18165 1 301 . 1 1 30 30 LEU HB3 H 1 1.438 0.020 . 2 . . . A 30 LEU HB3 . 18165 1 302 . 1 1 30 30 LEU HG H 1 1.353 0.020 . 1 . . . A 30 LEU HG . 18165 1 303 . 1 1 30 30 LEU HD11 H 1 0.734 0.020 . 2 . . . A 30 LEU HD11 . 18165 1 304 . 1 1 30 30 LEU HD12 H 1 0.734 0.020 . 2 . . . A 30 LEU HD12 . 18165 1 305 . 1 1 30 30 LEU HD13 H 1 0.734 0.020 . 2 . . . A 30 LEU HD13 . 18165 1 306 . 1 1 30 30 LEU HD21 H 1 0.833 0.020 . 2 . . . A 30 LEU HD21 . 18165 1 307 . 1 1 30 30 LEU HD22 H 1 0.833 0.020 . 2 . . . A 30 LEU HD22 . 18165 1 308 . 1 1 30 30 LEU HD23 H 1 0.833 0.020 . 2 . . . A 30 LEU HD23 . 18165 1 309 . 1 1 30 30 LEU CA C 13 58.413 0.400 . 1 . . . A 30 LEU CA . 18165 1 310 . 1 1 30 30 LEU CB C 13 41.134 0.400 . 1 . . . A 30 LEU CB . 18165 1 311 . 1 1 30 30 LEU CD1 C 13 26.127 0.400 . 2 . . . A 30 LEU CD1 . 18165 1 312 . 1 1 30 30 LEU CD2 C 13 23.498 0.400 . 2 . . . A 30 LEU CD2 . 18165 1 313 . 1 1 30 30 LEU N N 15 122.071 0.400 . 1 . . . A 30 LEU N . 18165 1 314 . 1 1 31 31 PHE H H 1 8.253 0.020 . 1 . . . A 31 PHE H . 18165 1 315 . 1 1 31 31 PHE HA H 1 4.377 0.020 . 1 . . . A 31 PHE HA . 18165 1 316 . 1 1 31 31 PHE HB2 H 1 3.242 0.020 . 2 . . . A 31 PHE HB2 . 18165 1 317 . 1 1 31 31 PHE HB3 H 1 3.087 0.020 . 2 . . . A 31 PHE HB3 . 18165 1 318 . 1 1 31 31 PHE HD1 H 1 6.731 0.020 . 3 . . . A 31 PHE HD1 . 18165 1 319 . 1 1 31 31 PHE HD2 H 1 6.731 0.020 . 3 . . . A 31 PHE HD2 . 18165 1 320 . 1 1 31 31 PHE HE1 H 1 6.562 0.020 . 3 . . . A 31 PHE HE1 . 18165 1 321 . 1 1 31 31 PHE HE2 H 1 6.562 0.020 . 3 . . . A 31 PHE HE2 . 18165 1 322 . 1 1 31 31 PHE HZ H 1 6.421 0.020 . 1 . . . A 31 PHE HZ . 18165 1 323 . 1 1 31 31 PHE CA C 13 57.992 0.400 . 1 . . . A 31 PHE CA . 18165 1 324 . 1 1 31 31 PHE CB C 13 36.348 0.400 . 1 . . . A 31 PHE CB . 18165 1 325 . 1 1 31 31 PHE CD2 C 13 130.352 0.400 . 3 . . . A 31 PHE CD2 . 18165 1 326 . 1 1 31 31 PHE CE2 C 13 130.297 0.400 . 3 . . . A 31 PHE CE2 . 18165 1 327 . 1 1 31 31 PHE CZ C 13 128.584 0.400 . 1 . . . A 31 PHE CZ . 18165 1 328 . 1 1 31 31 PHE N N 15 118.487 0.400 . 1 . . . A 31 PHE N . 18165 1 329 . 1 1 32 32 ASP H H 1 8.687 0.020 . 1 . . . A 32 ASP H . 18165 1 330 . 1 1 32 32 ASP HA H 1 4.485 0.020 . 1 . . . A 32 ASP HA . 18165 1 331 . 1 1 32 32 ASP HB2 H 1 2.884 0.020 . 2 . . . A 32 ASP HB2 . 18165 1 332 . 1 1 32 32 ASP HB3 H 1 2.709 0.020 . 2 . . . A 32 ASP HB3 . 18165 1 333 . 1 1 32 32 ASP CA C 13 57.722 0.400 . 1 . . . A 32 ASP CA . 18165 1 334 . 1 1 32 32 ASP CB C 13 40.526 0.400 . 1 . . . A 32 ASP CB . 18165 1 335 . 1 1 32 32 ASP N N 15 120.175 0.400 . 1 . . . A 32 ASP N . 18165 1 336 . 1 1 33 33 MET H H 1 8.416 0.020 . 1 . . . A 33 MET H . 18165 1 337 . 1 1 33 33 MET HA H 1 4.197 0.020 . 1 . . . A 33 MET HA . 18165 1 338 . 1 1 33 33 MET HB2 H 1 2.362 0.020 . 2 . . . A 33 MET HB2 . 18165 1 339 . 1 1 33 33 MET HB3 H 1 2.167 0.020 . 2 . . . A 33 MET HB3 . 18165 1 340 . 1 1 33 33 MET HG2 H 1 2.750 0.020 . 2 . . . A 33 MET HG2 . 18165 1 341 . 1 1 33 33 MET HG3 H 1 2.629 0.020 . 2 . . . A 33 MET HG3 . 18165 1 342 . 1 1 33 33 MET HE1 H 1 2.022 0.020 . . . . . A 33 MET HE1 . 18165 1 343 . 1 1 33 33 MET HE2 H 1 2.022 0.020 . . . . . A 33 MET HE2 . 18165 1 344 . 1 1 33 33 MET HE3 H 1 2.022 0.020 . . . . . A 33 MET HE3 . 18165 1 345 . 1 1 33 33 MET CA C 13 59.128 0.400 . 1 . . . A 33 MET CA . 18165 1 346 . 1 1 33 33 MET CB C 13 33.069 0.400 . 1 . . . A 33 MET CB . 18165 1 347 . 1 1 33 33 MET CG C 13 31.817 0.400 . 1 . . . A 33 MET CG . 18165 1 348 . 1 1 33 33 MET CE C 13 16.841 0.400 . 1 . . . A 33 MET CE . 18165 1 349 . 1 1 33 33 MET N N 15 120.656 0.400 . 1 . . . A 33 MET N . 18165 1 350 . 1 1 34 34 CYS H H 1 7.517 0.020 . 1 . . . A 34 CYS H . 18165 1 351 . 1 1 34 34 CYS HA H 1 4.463 0.020 . 1 . . . A 34 CYS HA . 18165 1 352 . 1 1 34 34 CYS HB2 H 1 3.013 0.020 . 2 . . . A 34 CYS HB2 . 18165 1 353 . 1 1 34 34 CYS HB3 H 1 2.927 0.020 . 2 . . . A 34 CYS HB3 . 18165 1 354 . 1 1 34 34 CYS CA C 13 61.223 0.400 . 1 . . . A 34 CYS CA . 18165 1 355 . 1 1 34 34 CYS CB C 13 29.171 0.400 . 1 . . . A 34 CYS CB . 18165 1 356 . 1 1 34 34 CYS N N 15 114.156 0.400 . 1 . . . A 34 CYS N . 18165 1 357 . 1 1 35 35 GLY H H 1 7.781 0.020 . 1 . . . A 35 GLY H . 18165 1 358 . 1 1 35 35 GLY HA2 H 1 4.199 0.020 . 2 . . . A 35 GLY HA2 . 18165 1 359 . 1 1 35 35 GLY HA3 H 1 3.724 0.020 . 2 . . . A 35 GLY HA3 . 18165 1 360 . 1 1 35 35 GLY CA C 13 46.611 0.400 . 1 . . . A 35 GLY CA . 18165 1 361 . 1 1 35 35 GLY N N 15 106.854 0.400 . 1 . . . A 35 GLY N . 18165 1 362 . 1 1 36 36 ILE H H 1 7.726 0.020 . 1 . . . A 36 ILE H . 18165 1 363 . 1 1 36 36 ILE HA H 1 4.233 0.020 . 1 . . . A 36 ILE HA . 18165 1 364 . 1 1 36 36 ILE HB H 1 1.558 0.020 . 1 . . . A 36 ILE HB . 18165 1 365 . 1 1 36 36 ILE HG12 H 1 1.469 0.020 . 2 . . . A 36 ILE HG12 . 18165 1 366 . 1 1 36 36 ILE HG13 H 1 0.754 0.020 . 2 . . . A 36 ILE HG13 . 18165 1 367 . 1 1 36 36 ILE HG21 H 1 0.633 0.020 . 1 . . . A 36 ILE HG21 . 18165 1 368 . 1 1 36 36 ILE HG22 H 1 0.633 0.020 . 1 . . . A 36 ILE HG22 . 18165 1 369 . 1 1 36 36 ILE HG23 H 1 0.633 0.020 . 1 . . . A 36 ILE HG23 . 18165 1 370 . 1 1 36 36 ILE HD11 H 1 0.688 0.020 . 1 . . . A 36 ILE HD11 . 18165 1 371 . 1 1 36 36 ILE HD12 H 1 0.688 0.020 . 1 . . . A 36 ILE HD12 . 18165 1 372 . 1 1 36 36 ILE HD13 H 1 0.688 0.020 . 1 . . . A 36 ILE HD13 . 18165 1 373 . 1 1 36 36 ILE CA C 13 60.634 0.400 . 1 . . . A 36 ILE CA . 18165 1 374 . 1 1 36 36 ILE CB C 13 38.775 0.400 . 1 . . . A 36 ILE CB . 18165 1 375 . 1 1 36 36 ILE CG1 C 13 28.291 0.400 . 1 . . . A 36 ILE CG1 . 18165 1 376 . 1 1 36 36 ILE CG2 C 13 17.601 0.400 . 1 . . . A 36 ILE CG2 . 18165 1 377 . 1 1 36 36 ILE CD1 C 13 13.862 0.400 . 1 . . . A 36 ILE CD1 . 18165 1 378 . 1 1 36 36 ILE N N 15 121.036 0.400 . 1 . . . A 36 ILE N . 18165 1 379 . 1 1 37 37 SER H H 1 8.773 0.020 . 1 . . . A 37 SER H . 18165 1 380 . 1 1 37 37 SER HA H 1 4.610 0.020 . 1 . . . A 37 SER HA . 18165 1 381 . 1 1 37 37 SER HB2 H 1 4.428 0.020 . 2 . . . A 37 SER HB2 . 18165 1 382 . 1 1 37 37 SER HB3 H 1 3.812 0.020 . 2 . . . A 37 SER HB3 . 18165 1 383 . 1 1 37 37 SER CA C 13 56.936 0.400 . 1 . . . A 37 SER CA . 18165 1 384 . 1 1 37 37 SER CB C 13 66.482 0.400 . 1 . . . A 37 SER CB . 18165 1 385 . 1 1 37 37 SER N N 15 124.416 0.400 . 1 . . . A 37 SER N . 18165 1 386 . 1 1 38 38 GLU H H 1 8.907 0.020 . 1 . . . A 38 GLU H . 18165 1 387 . 1 1 38 38 GLU HA H 1 3.830 0.020 . 1 . . . A 38 GLU HA . 18165 1 388 . 1 1 38 38 GLU HB2 H 1 2.073 0.020 . 2 . . . A 38 GLU HB2 . 18165 1 389 . 1 1 38 38 GLU HB3 H 1 1.969 0.020 . 2 . . . A 38 GLU HB3 . 18165 1 390 . 1 1 38 38 GLU HG2 H 1 2.436 0.020 . 2 . . . A 38 GLU HG2 . 18165 1 391 . 1 1 38 38 GLU HG3 H 1 2.208 0.020 . 2 . . . A 38 GLU HG3 . 18165 1 392 . 1 1 38 38 GLU CA C 13 60.838 0.400 . 1 . . . A 38 GLU CA . 18165 1 393 . 1 1 38 38 GLU CB C 13 29.232 0.400 . 1 . . . A 38 GLU CB . 18165 1 394 . 1 1 38 38 GLU CG C 13 37.590 0.400 . 1 . . . A 38 GLU CG . 18165 1 395 . 1 1 38 38 GLU N N 15 120.224 0.400 . 1 . . . A 38 GLU N . 18165 1 396 . 1 1 39 39 ALA H H 1 8.086 0.020 . 1 . . . A 39 ALA H . 18165 1 397 . 1 1 39 39 ALA HA H 1 4.034 0.020 . 1 . . . A 39 ALA HA . 18165 1 398 . 1 1 39 39 ALA HB1 H 1 1.405 0.020 . 1 . . . A 39 ALA HB1 . 18165 1 399 . 1 1 39 39 ALA HB2 H 1 1.405 0.020 . 1 . . . A 39 ALA HB2 . 18165 1 400 . 1 1 39 39 ALA HB3 H 1 1.405 0.020 . 1 . . . A 39 ALA HB3 . 18165 1 401 . 1 1 39 39 ALA CA C 13 55.386 0.400 . 1 . . . A 39 ALA CA . 18165 1 402 . 1 1 39 39 ALA CB C 13 18.254 0.400 . 1 . . . A 39 ALA CB . 18165 1 403 . 1 1 39 39 ALA N N 15 118.688 0.400 . 1 . . . A 39 ALA N . 18165 1 404 . 1 1 40 40 GLN H H 1 7.595 0.020 . 1 . . . A 40 GLN H . 18165 1 405 . 1 1 40 40 GLN HA H 1 3.981 0.020 . 1 . . . A 40 GLN HA . 18165 1 406 . 1 1 40 40 GLN HB2 H 1 2.601 0.020 . 2 . . . A 40 GLN HB2 . 18165 1 407 . 1 1 40 40 GLN HB3 H 1 1.584 0.020 . 2 . . . A 40 GLN HB3 . 18165 1 408 . 1 1 40 40 GLN HG2 H 1 2.631 0.020 . 2 . . . A 40 GLN HG2 . 18165 1 409 . 1 1 40 40 GLN HG3 H 1 2.293 0.020 . 2 . . . A 40 GLN HG3 . 18165 1 410 . 1 1 40 40 GLN HE21 H 1 6.946 0.020 . 2 . . . A 40 GLN HE21 . 18165 1 411 . 1 1 40 40 GLN HE22 H 1 7.742 0.020 . 2 . . . A 40 GLN HE22 . 18165 1 412 . 1 1 40 40 GLN CA C 13 59.875 0.400 . 1 . . . A 40 GLN CA . 18165 1 413 . 1 1 40 40 GLN CB C 13 30.184 0.400 . 1 . . . A 40 GLN CB . 18165 1 414 . 1 1 40 40 GLN CG C 13 36.752 0.400 . 1 . . . A 40 GLN CG . 18165 1 415 . 1 1 40 40 GLN N N 15 117.818 0.400 . 1 . . . A 40 GLN N . 18165 1 416 . 1 1 40 40 GLN NE2 N 15 111.682 0.400 . 1 . . . A 40 GLN NE2 . 18165 1 417 . 1 1 41 41 LEU H H 1 7.402 0.020 . 1 . . . A 41 LEU H . 18165 1 418 . 1 1 41 41 LEU HA H 1 4.028 0.020 . 1 . . . A 41 LEU HA . 18165 1 419 . 1 1 41 41 LEU HB2 H 1 2.161 0.020 . 2 . . . A 41 LEU HB2 . 18165 1 420 . 1 1 41 41 LEU HB3 H 1 1.477 0.020 . 2 . . . A 41 LEU HB3 . 18165 1 421 . 1 1 41 41 LEU HG H 1 1.628 0.020 . 1 . . . A 41 LEU HG . 18165 1 422 . 1 1 41 41 LEU HD11 H 1 0.622 0.020 . 2 . . . A 41 LEU HD11 . 18165 1 423 . 1 1 41 41 LEU HD12 H 1 0.622 0.020 . 2 . . . A 41 LEU HD12 . 18165 1 424 . 1 1 41 41 LEU HD13 H 1 0.622 0.020 . 2 . . . A 41 LEU HD13 . 18165 1 425 . 1 1 41 41 LEU HD21 H 1 -0.203 0.020 . 2 . . . A 41 LEU HD21 . 18165 1 426 . 1 1 41 41 LEU HD22 H 1 -0.203 0.020 . 2 . . . A 41 LEU HD22 . 18165 1 427 . 1 1 41 41 LEU HD23 H 1 -0.203 0.020 . 2 . . . A 41 LEU HD23 . 18165 1 428 . 1 1 41 41 LEU CA C 13 56.582 0.400 . 1 . . . A 41 LEU CA . 18165 1 429 . 1 1 41 41 LEU CB C 13 42.352 0.400 . 1 . . . A 41 LEU CB . 18165 1 430 . 1 1 41 41 LEU CG C 13 26.234 0.400 . 1 . . . A 41 LEU CG . 18165 1 431 . 1 1 41 41 LEU CD1 C 13 26.220 0.400 . 2 . . . A 41 LEU CD1 . 18165 1 432 . 1 1 41 41 LEU CD2 C 13 23.148 0.400 . 2 . . . A 41 LEU CD2 . 18165 1 433 . 1 1 41 41 LEU N N 15 115.183 0.400 . 1 . . . A 41 LEU N . 18165 1 434 . 1 1 42 42 LYS H H 1 7.399 0.020 . 1 . . . A 42 LYS H . 18165 1 435 . 1 1 42 42 LYS HA H 1 4.668 0.020 . 1 . . . A 42 LYS HA . 18165 1 436 . 1 1 42 42 LYS HB2 H 1 2.060 0.020 . 2 . . . A 42 LYS HB2 . 18165 1 437 . 1 1 42 42 LYS HB3 H 1 1.734 0.020 . 2 . . . A 42 LYS HB3 . 18165 1 438 . 1 1 42 42 LYS HG2 H 1 1.779 0.020 . 2 . . . A 42 LYS HG2 . 18165 1 439 . 1 1 42 42 LYS HG3 H 1 1.625 0.020 . 2 . . . A 42 LYS HG3 . 18165 1 440 . 1 1 42 42 LYS HD2 H 1 1.814 0.020 . 2 . . . A 42 LYS HD2 . 18165 1 441 . 1 1 42 42 LYS HD3 H 1 1.814 0.020 . 2 . . . A 42 LYS HD3 . 18165 1 442 . 1 1 42 42 LYS HE2 H 1 3.163 0.020 . 2 . . . A 42 LYS HE2 . 18165 1 443 . 1 1 42 42 LYS HE3 H 1 2.979 0.020 . 2 . . . A 42 LYS HE3 . 18165 1 444 . 1 1 42 42 LYS CA C 13 55.062 0.400 . 1 . . . A 42 LYS CA . 18165 1 445 . 1 1 42 42 LYS CB C 13 32.042 0.400 . 1 . . . A 42 LYS CB . 18165 1 446 . 1 1 42 42 LYS CG C 13 23.885 0.400 . 1 . . . A 42 LYS CG . 18165 1 447 . 1 1 42 42 LYS CD C 13 27.791 0.400 . 1 . . . A 42 LYS CD . 18165 1 448 . 1 1 42 42 LYS CE C 13 41.747 0.400 . 1 . . . A 42 LYS CE . 18165 1 449 . 1 1 42 42 LYS N N 15 115.853 0.400 . 1 . . . A 42 LYS N . 18165 1 450 . 1 1 43 43 ASP H H 1 7.276 0.020 . 1 . . . A 43 ASP H . 18165 1 451 . 1 1 43 43 ASP HA H 1 4.599 0.020 . 1 . . . A 43 ASP HA . 18165 1 452 . 1 1 43 43 ASP HB2 H 1 3.033 0.020 . 2 . . . A 43 ASP HB2 . 18165 1 453 . 1 1 43 43 ASP HB3 H 1 2.903 0.020 . 2 . . . A 43 ASP HB3 . 18165 1 454 . 1 1 43 43 ASP CA C 13 54.371 0.400 . 1 . . . A 43 ASP CA . 18165 1 455 . 1 1 43 43 ASP CB C 13 43.719 0.400 . 1 . . . A 43 ASP CB . 18165 1 456 . 1 1 43 43 ASP N N 15 121.181 0.400 . 1 . . . A 43 ASP N . 18165 1 457 . 1 1 44 44 ARG HA H 1 3.771 0.020 . 1 . . . A 44 ARG HA . 18165 1 458 . 1 1 44 44 ARG HB2 H 1 1.948 0.020 . 2 . . . A 44 ARG HB2 . 18165 1 459 . 1 1 44 44 ARG HB3 H 1 1.905 0.020 . 2 . . . A 44 ARG HB3 . 18165 1 460 . 1 1 44 44 ARG HG2 H 1 1.817 0.020 . 2 . . . A 44 ARG HG2 . 18165 1 461 . 1 1 44 44 ARG HG3 H 1 1.654 0.020 . 2 . . . A 44 ARG HG3 . 18165 1 462 . 1 1 44 44 ARG HD2 H 1 3.320 0.020 . 2 . . . A 44 ARG HD2 . 18165 1 463 . 1 1 44 44 ARG HD3 H 1 3.320 0.020 . 2 . . . A 44 ARG HD3 . 18165 1 464 . 1 1 44 44 ARG CA C 13 61.165 0.400 . 1 . . . A 44 ARG CA . 18165 1 465 . 1 1 44 44 ARG CB C 13 30.543 0.400 . 1 . . . A 44 ARG CB . 18165 1 466 . 1 1 44 44 ARG CG C 13 27.666 0.400 . 1 . . . A 44 ARG CG . 18165 1 467 . 1 1 44 44 ARG CD C 13 43.827 0.400 . 1 . . . A 44 ARG CD . 18165 1 468 . 1 1 45 45 GLU H H 1 8.407 0.020 . 1 . . . A 45 GLU H . 18165 1 469 . 1 1 45 45 GLU HA H 1 4.273 0.020 . 1 . . . A 45 GLU HA . 18165 1 470 . 1 1 45 45 GLU HB2 H 1 2.184 0.020 . 2 . . . A 45 GLU HB2 . 18165 1 471 . 1 1 45 45 GLU HB3 H 1 2.137 0.020 . 2 . . . A 45 GLU HB3 . 18165 1 472 . 1 1 45 45 GLU HG2 H 1 2.380 0.020 . 2 . . . A 45 GLU HG2 . 18165 1 473 . 1 1 45 45 GLU HG3 H 1 2.319 0.020 . 2 . . . A 45 GLU HG3 . 18165 1 474 . 1 1 45 45 GLU CA C 13 59.493 0.400 . 1 . . . A 45 GLU CA . 18165 1 475 . 1 1 45 45 GLU CB C 13 29.876 0.400 . 1 . . . A 45 GLU CB . 18165 1 476 . 1 1 45 45 GLU CG C 13 36.837 0.400 . 1 . . . A 45 GLU CG . 18165 1 477 . 1 1 45 45 GLU N N 15 117.751 0.400 . 1 . . . A 45 GLU N . 18165 1 478 . 1 1 46 46 THR H H 1 8.974 0.020 . 1 . . . A 46 THR H . 18165 1 479 . 1 1 46 46 THR HA H 1 3.841 0.020 . 1 . . . A 46 THR HA . 18165 1 480 . 1 1 46 46 THR HB H 1 4.560 0.020 . 1 . . . A 46 THR HB . 18165 1 481 . 1 1 46 46 THR HG21 H 1 1.175 0.020 . . . . . A 46 THR HG21 . 18165 1 482 . 1 1 46 46 THR HG22 H 1 1.175 0.020 . . . . . A 46 THR HG22 . 18165 1 483 . 1 1 46 46 THR HG23 H 1 1.175 0.020 . . . . . A 46 THR HG23 . 18165 1 484 . 1 1 46 46 THR CA C 13 67.321 0.400 . 1 . . . A 46 THR CA . 18165 1 485 . 1 1 46 46 THR CB C 13 68.156 0.400 . 1 . . . A 46 THR CB . 18165 1 486 . 1 1 46 46 THR CG2 C 13 22.771 0.400 . 1 . . . A 46 THR CG2 . 18165 1 487 . 1 1 46 46 THR N N 15 116.994 0.400 . 1 . . . A 46 THR N . 18165 1 488 . 1 1 47 47 SER H H 1 8.708 0.020 . 1 . . . A 47 SER H . 18165 1 489 . 1 1 47 47 SER HA H 1 4.074 0.020 . 1 . . . A 47 SER HA . 18165 1 490 . 1 1 47 47 SER HB2 H 1 4.472 0.020 . 2 . . . A 47 SER HB2 . 18165 1 491 . 1 1 47 47 SER HB3 H 1 4.108 0.020 . 2 . . . A 47 SER HB3 . 18165 1 492 . 1 1 47 47 SER CA C 13 63.423 0.400 . 1 . . . A 47 SER CA . 18165 1 493 . 1 1 47 47 SER CB C 13 62.888 0.400 . 1 . . . A 47 SER CB . 18165 1 494 . 1 1 47 47 SER N N 15 116.278 0.400 . 1 . . . A 47 SER N . 18165 1 495 . 1 1 48 48 LYS H H 1 7.240 0.020 . 1 . . . A 48 LYS H . 18165 1 496 . 1 1 48 48 LYS HA H 1 3.712 0.020 . 1 . . . A 48 LYS HA . 18165 1 497 . 1 1 48 48 LYS HB2 H 1 2.250 0.020 . 2 . . . A 48 LYS HB2 . 18165 1 498 . 1 1 48 48 LYS HB3 H 1 2.131 0.020 . 2 . . . A 48 LYS HB3 . 18165 1 499 . 1 1 48 48 LYS HG2 H 1 1.496 0.020 . 2 . . . A 48 LYS HG2 . 18165 1 500 . 1 1 48 48 LYS HG3 H 1 1.402 0.020 . 2 . . . A 48 LYS HG3 . 18165 1 501 . 1 1 48 48 LYS HD2 H 1 1.821 0.020 . 2 . . . A 48 LYS HD2 . 18165 1 502 . 1 1 48 48 LYS HD3 H 1 1.586 0.020 . 2 . . . A 48 LYS HD3 . 18165 1 503 . 1 1 48 48 LYS HE2 H 1 3.043 0.020 . 2 . . . A 48 LYS HE2 . 18165 1 504 . 1 1 48 48 LYS HE3 H 1 3.043 0.020 . 2 . . . A 48 LYS HE3 . 18165 1 505 . 1 1 48 48 LYS CA C 13 59.480 0.400 . 1 . . . A 48 LYS CA . 18165 1 506 . 1 1 48 48 LYS CB C 13 32.541 0.400 . 1 . . . A 48 LYS CB . 18165 1 507 . 1 1 48 48 LYS CG C 13 25.154 0.400 . 1 . . . A 48 LYS CG . 18165 1 508 . 1 1 48 48 LYS CD C 13 28.844 0.400 . 1 . . . A 48 LYS CD . 18165 1 509 . 1 1 48 48 LYS CE C 13 42.646 0.400 . 1 . . . A 48 LYS CE . 18165 1 510 . 1 1 48 48 LYS N N 15 124.024 0.400 . 1 . . . A 48 LYS N . 18165 1 511 . 1 1 49 49 VAL H H 1 7.175 0.020 . 1 . . . A 49 VAL H . 18165 1 512 . 1 1 49 49 VAL HA H 1 3.773 0.020 . 1 . . . A 49 VAL HA . 18165 1 513 . 1 1 49 49 VAL HB H 1 2.139 0.020 . 1 . . . A 49 VAL HB . 18165 1 514 . 1 1 49 49 VAL HG11 H 1 0.963 0.020 . 2 . . . A 49 VAL HG11 . 18165 1 515 . 1 1 49 49 VAL HG12 H 1 0.963 0.020 . 2 . . . A 49 VAL HG12 . 18165 1 516 . 1 1 49 49 VAL HG13 H 1 0.963 0.020 . 2 . . . A 49 VAL HG13 . 18165 1 517 . 1 1 49 49 VAL HG21 H 1 0.534 0.020 . 2 . . . A 49 VAL HG21 . 18165 1 518 . 1 1 49 49 VAL HG22 H 1 0.534 0.020 . 2 . . . A 49 VAL HG22 . 18165 1 519 . 1 1 49 49 VAL HG23 H 1 0.534 0.020 . 2 . . . A 49 VAL HG23 . 18165 1 520 . 1 1 49 49 VAL CA C 13 66.003 0.400 . 1 . . . A 49 VAL CA . 18165 1 521 . 1 1 49 49 VAL CB C 13 31.694 0.400 . 1 . . . A 49 VAL CB . 18165 1 522 . 1 1 49 49 VAL CG1 C 13 22.506 0.400 . 2 . . . A 49 VAL CG1 . 18165 1 523 . 1 1 49 49 VAL CG2 C 13 22.171 0.400 . 2 . . . A 49 VAL CG2 . 18165 1 524 . 1 1 49 49 VAL N N 15 118.732 0.400 . 1 . . . A 49 VAL N . 18165 1 525 . 1 1 50 50 ILE H H 1 7.641 0.020 . 1 . . . A 50 ILE H . 18165 1 526 . 1 1 50 50 ILE HA H 1 3.470 0.020 . 1 . . . A 50 ILE HA . 18165 1 527 . 1 1 50 50 ILE HB H 1 1.950 0.020 . 1 . . . A 50 ILE HB . 18165 1 528 . 1 1 50 50 ILE HG12 H 1 1.914 0.020 . 2 . . . A 50 ILE HG12 . 18165 1 529 . 1 1 50 50 ILE HG13 H 1 0.661 0.020 . 2 . . . A 50 ILE HG13 . 18165 1 530 . 1 1 50 50 ILE HG21 H 1 0.748 0.020 . 1 . . . A 50 ILE HG21 . 18165 1 531 . 1 1 50 50 ILE HG22 H 1 0.748 0.020 . 1 . . . A 50 ILE HG22 . 18165 1 532 . 1 1 50 50 ILE HG23 H 1 0.748 0.020 . 1 . . . A 50 ILE HG23 . 18165 1 533 . 1 1 50 50 ILE HD11 H 1 0.507 0.020 . 1 . . . A 50 ILE HD11 . 18165 1 534 . 1 1 50 50 ILE HD12 H 1 0.507 0.020 . 1 . . . A 50 ILE HD12 . 18165 1 535 . 1 1 50 50 ILE HD13 H 1 0.507 0.020 . 1 . . . A 50 ILE HD13 . 18165 1 536 . 1 1 50 50 ILE CA C 13 66.399 0.400 . 1 . . . A 50 ILE CA . 18165 1 537 . 1 1 50 50 ILE CB C 13 38.760 0.400 . 1 . . . A 50 ILE CB . 18165 1 538 . 1 1 50 50 ILE CG1 C 13 30.732 0.400 . 1 . . . A 50 ILE CG1 . 18165 1 539 . 1 1 50 50 ILE CG2 C 13 19.311 0.400 . 1 . . . A 50 ILE CG2 . 18165 1 540 . 1 1 50 50 ILE CD1 C 13 14.848 0.400 . 1 . . . A 50 ILE CD1 . 18165 1 541 . 1 1 50 50 ILE N N 15 119.959 0.400 . 1 . . . A 50 ILE N . 18165 1 542 . 1 1 51 51 TYR H H 1 8.987 0.020 . 1 . . . A 51 TYR H . 18165 1 543 . 1 1 51 51 TYR HA H 1 3.769 0.020 . 1 . . . A 51 TYR HA . 18165 1 544 . 1 1 51 51 TYR HB2 H 1 1.936 0.020 . 2 . . . A 51 TYR HB2 . 18165 1 545 . 1 1 51 51 TYR HB3 H 1 1.756 0.020 . 2 . . . A 51 TYR HB3 . 18165 1 546 . 1 1 51 51 TYR HD1 H 1 6.301 0.020 . 3 . . . A 51 TYR HD1 . 18165 1 547 . 1 1 51 51 TYR HD2 H 1 6.301 0.020 . 3 . . . A 51 TYR HD2 . 18165 1 548 . 1 1 51 51 TYR HE1 H 1 6.596 0.020 . 3 . . . A 51 TYR HE1 . 18165 1 549 . 1 1 51 51 TYR HE2 H 1 6.596 0.020 . 3 . . . A 51 TYR HE2 . 18165 1 550 . 1 1 51 51 TYR CA C 13 62.919 0.400 . 1 . . . A 51 TYR CA . 18165 1 551 . 1 1 51 51 TYR CB C 13 37.249 0.400 . 1 . . . A 51 TYR CB . 18165 1 552 . 1 1 51 51 TYR CD1 C 13 132.601 0.400 . 3 . . . A 51 TYR CD1 . 18165 1 553 . 1 1 51 51 TYR CE1 C 13 117.852 0.400 . 3 . . . A 51 TYR CE1 . 18165 1 554 . 1 1 51 51 TYR N N 15 121.750 0.400 . 1 . . . A 51 TYR N . 18165 1 555 . 1 1 52 52 ASP H H 1 8.488 0.020 . 1 . . . A 52 ASP H . 18165 1 556 . 1 1 52 52 ASP HA H 1 4.104 0.020 . 1 . . . A 52 ASP HA . 18165 1 557 . 1 1 52 52 ASP HB2 H 1 2.864 0.020 . 2 . . . A 52 ASP HB2 . 18165 1 558 . 1 1 52 52 ASP HB3 H 1 2.633 0.020 . 2 . . . A 52 ASP HB3 . 18165 1 559 . 1 1 52 52 ASP CA C 13 57.434 0.400 . 1 . . . A 52 ASP CA . 18165 1 560 . 1 1 52 52 ASP CB C 13 40.679 0.400 . 1 . . . A 52 ASP CB . 18165 1 561 . 1 1 52 52 ASP N N 15 118.156 0.400 . 1 . . . A 52 ASP N . 18165 1 562 . 1 1 53 53 PHE H H 1 7.294 0.020 . 1 . . . A 53 PHE H . 18165 1 563 . 1 1 53 53 PHE HA H 1 3.612 0.020 . 1 . . . A 53 PHE HA . 18165 1 564 . 1 1 53 53 PHE HB2 H 1 3.124 0.020 . 2 . . . A 53 PHE HB2 . 18165 1 565 . 1 1 53 53 PHE HB3 H 1 2.022 0.020 . 2 . . . A 53 PHE HB3 . 18165 1 566 . 1 1 53 53 PHE HD1 H 1 6.601 0.020 . 3 . . . A 53 PHE HD1 . 18165 1 567 . 1 1 53 53 PHE HD2 H 1 6.601 0.020 . 3 . . . A 53 PHE HD2 . 18165 1 568 . 1 1 53 53 PHE HE1 H 1 7.002 0.020 . 3 . . . A 53 PHE HE1 . 18165 1 569 . 1 1 53 53 PHE HE2 H 1 7.002 0.020 . 3 . . . A 53 PHE HE2 . 18165 1 570 . 1 1 53 53 PHE HZ H 1 7.203 0.020 . 1 . . . A 53 PHE HZ . 18165 1 571 . 1 1 53 53 PHE CA C 13 61.888 0.400 . 1 . . . A 53 PHE CA . 18165 1 572 . 1 1 53 53 PHE CB C 13 38.478 0.400 . 1 . . . A 53 PHE CB . 18165 1 573 . 1 1 53 53 PHE CD1 C 13 131.803 0.400 . 3 . . . A 53 PHE CD1 . 18165 1 574 . 1 1 53 53 PHE CE1 C 13 130.779 0.400 . 3 . . . A 53 PHE CE1 . 18165 1 575 . 1 1 53 53 PHE CZ C 13 129.700 0.400 . 1 . . . A 53 PHE CZ . 18165 1 576 . 1 1 53 53 PHE N N 15 118.287 0.400 . 1 . . . A 53 PHE N . 18165 1 577 . 1 1 54 54 ILE H H 1 7.949 0.020 . 1 . . . A 54 ILE H . 18165 1 578 . 1 1 54 54 ILE HA H 1 3.286 0.020 . 1 . . . A 54 ILE HA . 18165 1 579 . 1 1 54 54 ILE HB H 1 1.995 0.020 . 1 . . . A 54 ILE HB . 18165 1 580 . 1 1 54 54 ILE HG12 H 1 1.809 0.020 . 2 . . . A 54 ILE HG12 . 18165 1 581 . 1 1 54 54 ILE HG13 H 1 1.387 0.020 . 2 . . . A 54 ILE HG13 . 18165 1 582 . 1 1 54 54 ILE HG21 H 1 0.780 0.020 . 1 . . . A 54 ILE HG21 . 18165 1 583 . 1 1 54 54 ILE HG22 H 1 0.780 0.020 . 1 . . . A 54 ILE HG22 . 18165 1 584 . 1 1 54 54 ILE HG23 H 1 0.780 0.020 . 1 . . . A 54 ILE HG23 . 18165 1 585 . 1 1 54 54 ILE HD11 H 1 0.976 0.020 . 1 . . . A 54 ILE HD11 . 18165 1 586 . 1 1 54 54 ILE HD12 H 1 0.976 0.020 . 1 . . . A 54 ILE HD12 . 18165 1 587 . 1 1 54 54 ILE HD13 H 1 0.976 0.020 . 1 . . . A 54 ILE HD13 . 18165 1 588 . 1 1 54 54 ILE CA C 13 64.047 0.400 . 1 . . . A 54 ILE CA . 18165 1 589 . 1 1 54 54 ILE CB C 13 37.125 0.400 . 1 . . . A 54 ILE CB . 18165 1 590 . 1 1 54 54 ILE CG1 C 13 28.165 0.400 . 1 . . . A 54 ILE CG1 . 18165 1 591 . 1 1 54 54 ILE CG2 C 13 17.470 0.400 . 1 . . . A 54 ILE CG2 . 18165 1 592 . 1 1 54 54 ILE CD1 C 13 13.260 0.400 . 1 . . . A 54 ILE CD1 . 18165 1 593 . 1 1 54 54 ILE N N 15 121.343 0.400 . 1 . . . A 54 ILE N . 18165 1 594 . 1 1 55 55 GLU H H 1 8.353 0.020 . 1 . . . A 55 GLU H . 18165 1 595 . 1 1 55 55 GLU HA H 1 3.747 0.020 . 1 . . . A 55 GLU HA . 18165 1 596 . 1 1 55 55 GLU HB2 H 1 1.750 0.020 . 2 . . . A 55 GLU HB2 . 18165 1 597 . 1 1 55 55 GLU HB3 H 1 1.535 0.020 . 2 . . . A 55 GLU HB3 . 18165 1 598 . 1 1 55 55 GLU HG2 H 1 1.944 0.020 . 2 . . . A 55 GLU HG2 . 18165 1 599 . 1 1 55 55 GLU HG3 H 1 1.830 0.020 . 2 . . . A 55 GLU HG3 . 18165 1 600 . 1 1 55 55 GLU CA C 13 59.405 0.400 . 1 . . . A 55 GLU CA . 18165 1 601 . 1 1 55 55 GLU CB C 13 29.718 0.400 . 1 . . . A 55 GLU CB . 18165 1 602 . 1 1 55 55 GLU CG C 13 36.576 0.400 . 1 . . . A 55 GLU CG . 18165 1 603 . 1 1 55 55 GLU N N 15 120.391 0.400 . 1 . . . A 55 GLU N . 18165 1 604 . 1 1 56 56 LYS H H 1 7.777 0.020 . 1 . . . A 56 LYS H . 18165 1 605 . 1 1 56 56 LYS HA H 1 4.034 0.020 . 1 . . . A 56 LYS HA . 18165 1 606 . 1 1 56 56 LYS HB2 H 1 1.753 0.020 . 2 . . . A 56 LYS HB2 . 18165 1 607 . 1 1 56 56 LYS HB3 H 1 1.678 0.020 . 2 . . . A 56 LYS HB3 . 18165 1 608 . 1 1 56 56 LYS HG2 H 1 1.394 0.020 . 2 . . . A 56 LYS HG2 . 18165 1 609 . 1 1 56 56 LYS HG3 H 1 1.394 0.020 . 2 . . . A 56 LYS HG3 . 18165 1 610 . 1 1 56 56 LYS HD2 H 1 1.583 0.020 . 2 . . . A 56 LYS HD2 . 18165 1 611 . 1 1 56 56 LYS HD3 H 1 1.583 0.020 . 2 . . . A 56 LYS HD3 . 18165 1 612 . 1 1 56 56 LYS HE2 H 1 2.942 0.020 . 2 . . . A 56 LYS HE2 . 18165 1 613 . 1 1 56 56 LYS HE3 H 1 2.942 0.020 . 2 . . . A 56 LYS HE3 . 18165 1 614 . 1 1 56 56 LYS CA C 13 58.327 0.400 . 1 . . . A 56 LYS CA . 18165 1 615 . 1 1 56 56 LYS CB C 13 32.598 0.400 . 1 . . . A 56 LYS CB . 18165 1 616 . 1 1 56 56 LYS CG C 13 25.179 0.400 . 1 . . . A 56 LYS CG . 18165 1 617 . 1 1 56 56 LYS CD C 13 29.265 0.400 . 1 . . . A 56 LYS CD . 18165 1 618 . 1 1 56 56 LYS CE C 13 42.257 0.400 . 1 . . . A 56 LYS CE . 18165 1 619 . 1 1 56 56 LYS N N 15 118.327 0.400 . 1 . . . A 56 LYS N . 18165 1 620 . 1 1 57 57 THR H H 1 7.488 0.020 . 1 . . . A 57 THR H . 18165 1 621 . 1 1 57 57 THR HA H 1 3.980 0.020 . 1 . . . A 57 THR HA . 18165 1 622 . 1 1 57 57 THR HB H 1 3.783 0.020 . 1 . . . A 57 THR HB . 18165 1 623 . 1 1 57 57 THR HG21 H 1 0.838 0.020 . . . . . A 57 THR HG21 . 18165 1 624 . 1 1 57 57 THR HG22 H 1 0.838 0.020 . . . . . A 57 THR HG22 . 18165 1 625 . 1 1 57 57 THR HG23 H 1 0.838 0.020 . . . . . A 57 THR HG23 . 18165 1 626 . 1 1 57 57 THR CA C 13 63.471 0.400 . 1 . . . A 57 THR CA . 18165 1 627 . 1 1 57 57 THR CB C 13 69.515 0.400 . 1 . . . A 57 THR CB . 18165 1 628 . 1 1 57 57 THR CG2 C 13 21.455 0.400 . 1 . . . A 57 THR CG2 . 18165 1 629 . 1 1 57 57 THR N N 15 112.519 0.400 . 1 . . . A 57 THR N . 18165 1 630 . 1 1 58 58 GLY H H 1 7.663 0.020 . 1 . . . A 58 GLY H . 18165 1 631 . 1 1 58 58 GLY HA2 H 1 4.083 0.020 . 2 . . . A 58 GLY HA2 . 18165 1 632 . 1 1 58 58 GLY HA3 H 1 3.770 0.020 . 2 . . . A 58 GLY HA3 . 18165 1 633 . 1 1 58 58 GLY CA C 13 45.362 0.400 . 1 . . . A 58 GLY CA . 18165 1 634 . 1 1 58 58 GLY N N 15 108.258 0.400 . 1 . . . A 58 GLY N . 18165 1 635 . 1 1 59 59 GLY H H 1 8.089 0.020 . 1 . . . A 59 GLY H . 18165 1 636 . 1 1 59 59 GLY HA2 H 1 4.085 0.020 . 2 . . . A 59 GLY HA2 . 18165 1 637 . 1 1 59 59 GLY HA3 H 1 3.668 0.020 . 2 . . . A 59 GLY HA3 . 18165 1 638 . 1 1 59 59 GLY CA C 13 45.197 0.400 . 1 . . . A 59 GLY CA . 18165 1 639 . 1 1 59 59 GLY N N 15 108.559 0.400 . 1 . . . A 59 GLY N . 18165 1 640 . 1 1 60 60 VAL H H 1 8.238 0.020 . 1 . . . A 60 VAL H . 18165 1 641 . 1 1 60 60 VAL HA H 1 3.842 0.020 . 1 . . . A 60 VAL HA . 18165 1 642 . 1 1 60 60 VAL HB H 1 2.043 0.020 . 1 . . . A 60 VAL HB . 18165 1 643 . 1 1 60 60 VAL HG11 H 1 0.902 0.020 . 2 . . . A 60 VAL HG11 . 18165 1 644 . 1 1 60 60 VAL HG12 H 1 0.902 0.020 . 2 . . . A 60 VAL HG12 . 18165 1 645 . 1 1 60 60 VAL HG13 H 1 0.902 0.020 . 2 . . . A 60 VAL HG13 . 18165 1 646 . 1 1 60 60 VAL HG21 H 1 0.902 0.020 . 2 . . . A 60 VAL HG21 . 18165 1 647 . 1 1 60 60 VAL HG22 H 1 0.902 0.020 . 2 . . . A 60 VAL HG22 . 18165 1 648 . 1 1 60 60 VAL HG23 H 1 0.902 0.020 . 2 . . . A 60 VAL HG23 . 18165 1 649 . 1 1 60 60 VAL CA C 13 63.930 0.400 . 1 . . . A 60 VAL CA . 18165 1 650 . 1 1 60 60 VAL CB C 13 32.561 0.400 . 1 . . . A 60 VAL CB . 18165 1 651 . 1 1 60 60 VAL CG1 C 13 21.523 0.400 . 2 . . . A 60 VAL CG1 . 18165 1 652 . 1 1 60 60 VAL CG2 C 13 21.620 0.400 . 2 . . . A 60 VAL CG2 . 18165 1 653 . 1 1 60 60 VAL N N 15 118.541 0.400 . 1 . . . A 60 VAL N . 18165 1 654 . 1 1 61 61 GLU H H 1 8.424 0.020 . 1 . . . A 61 GLU H . 18165 1 655 . 1 1 61 61 GLU HA H 1 4.115 0.020 . 1 . . . A 61 GLU HA . 18165 1 656 . 1 1 61 61 GLU HB2 H 1 2.012 0.020 . 2 . . . A 61 GLU HB2 . 18165 1 657 . 1 1 61 61 GLU HB3 H 1 1.911 0.020 . 2 . . . A 61 GLU HB3 . 18165 1 658 . 1 1 61 61 GLU HG2 H 1 2.265 0.020 . 2 . . . A 61 GLU HG2 . 18165 1 659 . 1 1 61 61 GLU HG3 H 1 2.265 0.020 . 2 . . . A 61 GLU HG3 . 18165 1 660 . 1 1 61 61 GLU CA C 13 57.782 0.400 . 1 . . . A 61 GLU CA . 18165 1 661 . 1 1 61 61 GLU CB C 13 29.964 0.400 . 1 . . . A 61 GLU CB . 18165 1 662 . 1 1 61 61 GLU CG C 13 36.648 0.400 . 1 . . . A 61 GLU CG . 18165 1 663 . 1 1 61 61 GLU N N 15 121.432 0.400 . 1 . . . A 61 GLU N . 18165 1 664 . 1 1 62 62 ALA H H 1 7.848 0.020 . 1 . . . A 62 ALA H . 18165 1 665 . 1 1 62 62 ALA HA H 1 4.259 0.020 . 1 . . . A 62 ALA HA . 18165 1 666 . 1 1 62 62 ALA HB1 H 1 1.336 0.020 . 1 . . . A 62 ALA HB1 . 18165 1 667 . 1 1 62 62 ALA HB2 H 1 1.336 0.020 . 1 . . . A 62 ALA HB2 . 18165 1 668 . 1 1 62 62 ALA HB3 H 1 1.336 0.020 . 1 . . . A 62 ALA HB3 . 18165 1 669 . 1 1 62 62 ALA CA C 13 53.116 0.400 . 1 . . . A 62 ALA CA . 18165 1 670 . 1 1 62 62 ALA CB C 13 19.474 0.400 . 1 . . . A 62 ALA CB . 18165 1 671 . 1 1 62 62 ALA N N 15 122.910 0.400 . 1 . . . A 62 ALA N . 18165 1 672 . 1 1 63 63 VAL H H 1 7.784 0.020 . 1 . . . A 63 VAL H . 18165 1 673 . 1 1 63 63 VAL HA H 1 3.997 0.020 . 1 . . . A 63 VAL HA . 18165 1 674 . 1 1 63 63 VAL HB H 1 2.132 0.020 . 1 . . . A 63 VAL HB . 18165 1 675 . 1 1 63 63 VAL HG11 H 1 0.897 0.020 . 2 . . . A 63 VAL HG11 . 18165 1 676 . 1 1 63 63 VAL HG12 H 1 0.897 0.020 . 2 . . . A 63 VAL HG12 . 18165 1 677 . 1 1 63 63 VAL HG13 H 1 0.897 0.020 . 2 . . . A 63 VAL HG13 . 18165 1 678 . 1 1 63 63 VAL HG21 H 1 0.897 0.020 . 2 . . . A 63 VAL HG21 . 18165 1 679 . 1 1 63 63 VAL HG22 H 1 0.897 0.020 . 2 . . . A 63 VAL HG22 . 18165 1 680 . 1 1 63 63 VAL HG23 H 1 0.897 0.020 . 2 . . . A 63 VAL HG23 . 18165 1 681 . 1 1 63 63 VAL CA C 13 62.868 0.400 . 1 . . . A 63 VAL CA . 18165 1 682 . 1 1 63 63 VAL CB C 13 32.433 0.400 . 1 . . . A 63 VAL CB . 18165 1 683 . 1 1 63 63 VAL CG1 C 13 21.386 0.400 . 2 . . . A 63 VAL CG1 . 18165 1 684 . 1 1 63 63 VAL CG2 C 13 21.540 0.400 . 2 . . . A 63 VAL CG2 . 18165 1 685 . 1 1 63 63 VAL N N 15 117.033 0.400 . 1 . . . A 63 VAL N . 18165 1 686 . 1 1 64 64 LYS H H 1 7.874 0.020 . 1 . . . A 64 LYS H . 18165 1 687 . 1 1 64 64 LYS HA H 1 4.292 0.020 . 1 . . . A 64 LYS HA . 18165 1 688 . 1 1 64 64 LYS HB2 H 1 1.857 0.020 . 2 . . . A 64 LYS HB2 . 18165 1 689 . 1 1 64 64 LYS HB3 H 1 1.699 0.020 . 2 . . . A 64 LYS HB3 . 18165 1 690 . 1 1 64 64 LYS HG2 H 1 1.473 0.020 . 2 . . . A 64 LYS HG2 . 18165 1 691 . 1 1 64 64 LYS HG3 H 1 1.381 0.020 . 2 . . . A 64 LYS HG3 . 18165 1 692 . 1 1 64 64 LYS HD2 H 1 1.637 0.020 . 2 . . . A 64 LYS HD2 . 18165 1 693 . 1 1 64 64 LYS HD3 H 1 1.637 0.020 . 2 . . . A 64 LYS HD3 . 18165 1 694 . 1 1 64 64 LYS HE2 H 1 2.930 0.020 . 2 . . . A 64 LYS HE2 . 18165 1 695 . 1 1 64 64 LYS HE3 H 1 2.930 0.020 . 2 . . . A 64 LYS HE3 . 18165 1 696 . 1 1 64 64 LYS CA C 13 56.524 0.400 . 1 . . . A 64 LYS CA . 18165 1 697 . 1 1 64 64 LYS CB C 13 33.491 0.400 . 1 . . . A 64 LYS CB . 18165 1 698 . 1 1 64 64 LYS CG C 13 25.042 0.400 . 1 . . . A 64 LYS CG . 18165 1 699 . 1 1 64 64 LYS CD C 13 29.401 0.400 . 1 . . . A 64 LYS CD . 18165 1 700 . 1 1 64 64 LYS CE C 13 42.214 0.400 . 1 . . . A 64 LYS CE . 18165 1 701 . 1 1 64 64 LYS N N 15 122.623 0.400 . 1 . . . A 64 LYS N . 18165 1 702 . 1 1 65 65 ASN H H 1 7.856 0.020 . 1 . . . A 65 ASN H . 18165 1 703 . 1 1 65 65 ASN HA H 1 4.466 0.020 . 1 . . . A 65 ASN HA . 18165 1 704 . 1 1 65 65 ASN HB2 H 1 2.742 0.020 . 2 . . . A 65 ASN HB2 . 18165 1 705 . 1 1 65 65 ASN HB3 H 1 2.647 0.020 . 2 . . . A 65 ASN HB3 . 18165 1 706 . 1 1 65 65 ASN CA C 13 55.135 0.400 . 1 . . . A 65 ASN CA . 18165 1 707 . 1 1 65 65 ASN CB C 13 40.784 0.400 . 1 . . . A 65 ASN CB . 18165 1 708 . 1 1 65 65 ASN N N 15 125.048 0.400 . 1 . . . A 65 ASN N . 18165 1 709 . 2 2 1 1 GLY HA2 H 1 3.820 0.020 . 2 . . . . 80 GLY HA2 . 18165 1 710 . 2 2 1 1 GLY HA3 H 1 3.820 0.020 . 2 . . . . 80 GLY HA3 . 18165 1 711 . 2 2 1 1 GLY CA C 13 45.159 0.400 . 1 . . . . 80 GLY CA . 18165 1 712 . 2 2 2 2 SER HA H 1 4.517 0.020 . 1 . . . . 81 SER HA . 18165 1 713 . 2 2 2 2 SER HB2 H 1 3.844 0.020 . 2 . . . . 81 SER HB2 . 18165 1 714 . 2 2 2 2 SER HB3 H 1 3.844 0.020 . 2 . . . . 81 SER HB3 . 18165 1 715 . 2 2 2 2 SER CA C 13 59.449 0.400 . 1 . . . . 81 SER CA . 18165 1 716 . 2 2 2 2 SER CB C 13 65.169 0.400 . 1 . . . . 81 SER CB . 18165 1 717 . 2 2 3 3 HIS HA H 1 4.621 0.020 . 1 . . . . 82 HIS HA . 18165 1 718 . 2 2 3 3 HIS HB2 H 1 3.131 0.020 . 2 . . . . 82 HIS HB2 . 18165 1 719 . 2 2 3 3 HIS HB3 H 1 3.066 0.020 . 2 . . . . 82 HIS HB3 . 18165 1 720 . 2 2 3 3 HIS HD2 H 1 6.994 0.020 . 1 . . . . 82 HIS HD2 . 18165 1 721 . 2 2 3 3 HIS HE1 H 1 7.846 0.020 . 1 . . . . 82 HIS HE1 . 18165 1 722 . 2 2 3 3 HIS CA C 13 57.727 0.400 . 1 . . . . 82 HIS CA . 18165 1 723 . 2 2 3 3 HIS CB C 13 32.150 0.400 . 1 . . . . 82 HIS CB . 18165 1 724 . 2 2 3 3 HIS CD2 C 13 120.885 0.400 . 1 . . . . 82 HIS CD2 . 18165 1 725 . 2 2 3 3 HIS CE1 C 13 139.650 0.400 . 1 . . . . 82 HIS CE1 . 18165 1 726 . 2 2 4 4 MET H H 1 8.267 0.020 . 1 . . . . 83 MET H . 18165 1 727 . 2 2 4 4 MET HA H 1 4.438 0.020 . 1 . . . . 83 MET HA . 18165 1 728 . 2 2 4 4 MET HB2 H 1 2.053 0.020 . 2 . . . . 83 MET HB2 . 18165 1 729 . 2 2 4 4 MET HB3 H 1 1.919 0.020 . 2 . . . . 83 MET HB3 . 18165 1 730 . 2 2 4 4 MET HG2 H 1 2.448 0.020 . 2 . . . . 83 MET HG2 . 18165 1 731 . 2 2 4 4 MET HG3 H 1 2.349 0.020 . 2 . . . . 83 MET HG3 . 18165 1 732 . 2 2 4 4 MET HE1 H 1 2.055 0.020 . . . . . . 83 MET HE . 18165 1 733 . 2 2 4 4 MET HE2 H 1 2.055 0.020 . . . . . . 83 MET HE . 18165 1 734 . 2 2 4 4 MET HE3 H 1 2.055 0.020 . . . . . . 83 MET HE . 18165 1 735 . 2 2 4 4 MET CA C 13 56.560 0.400 . 1 . . . . 83 MET CA . 18165 1 736 . 2 2 4 4 MET CB C 13 33.980 0.400 . 1 . . . . 83 MET CB . 18165 1 737 . 2 2 4 4 MET CG C 13 33.412 0.400 . 1 . . . . 83 MET CG . 18165 1 738 . 2 2 4 4 MET CE C 13 18.352 0.400 . 1 . . . . 83 MET CE . 18165 1 739 . 2 2 4 4 MET N N 15 121.281 0.400 . 1 . . . . 83 MET N . 18165 1 740 . 2 2 5 5 LYS H H 1 8.733 0.020 . 1 . . . . 84 LYS H . 18165 1 741 . 2 2 5 5 LYS N N 15 122.124 0.400 . 1 . . . . 84 LYS N . 18165 1 742 . 2 2 7 7 GLN HA H 1 4.374 0.020 . 1 . . . . 86 GLN HA . 18165 1 743 . 2 2 7 7 GLN HB2 H 1 2.054 0.020 . 2 . . . . 86 GLN HB2 . 18165 1 744 . 2 2 7 7 GLN HB3 H 1 2.054 0.020 . 2 . . . . 86 GLN HB3 . 18165 1 745 . 2 2 7 7 GLN HG2 H 1 2.370 0.020 . 2 . . . . 86 GLN HG2 . 18165 1 746 . 2 2 7 7 GLN HG3 H 1 2.300 0.020 . 2 . . . . 86 GLN HG3 . 18165 1 747 . 2 2 7 7 GLN CA C 13 57.074 0.400 . 1 . . . . 86 GLN CA . 18165 1 748 . 2 2 7 7 GLN CB C 13 32.311 0.400 . 1 . . . . 86 GLN CB . 18165 1 749 . 2 2 7 7 GLN CG C 13 35.742 0.400 . 1 . . . . 86 GLN CG . 18165 1 750 . 2 2 8 8 LYS H H 1 8.556 0.020 . 1 . . . . 87 LYS H . 18165 1 751 . 2 2 8 8 LYS HA H 1 5.457 0.020 . 1 . . . . 87 LYS HA . 18165 1 752 . 2 2 8 8 LYS HB2 H 1 1.689 0.020 . 2 . . . . 87 LYS HB2 . 18165 1 753 . 2 2 8 8 LYS HB3 H 1 1.598 0.020 . 2 . . . . 87 LYS HB3 . 18165 1 754 . 2 2 8 8 LYS HG2 H 1 1.515 0.020 . 2 . . . . 87 LYS HG2 . 18165 1 755 . 2 2 8 8 LYS HG3 H 1 1.367 0.020 . 2 . . . . 87 LYS HG3 . 18165 1 756 . 2 2 8 8 LYS HD2 H 1 1.520 0.020 . 2 . . . . 87 LYS HD2 . 18165 1 757 . 2 2 8 8 LYS HD3 H 1 1.520 0.020 . 2 . . . . 87 LYS HD3 . 18165 1 758 . 2 2 8 8 LYS HE2 H 1 2.919 0.020 . 2 . . . . 87 LYS HE2 . 18165 1 759 . 2 2 8 8 LYS HE3 H 1 2.919 0.020 . 2 . . . . 87 LYS HE3 . 18165 1 760 . 2 2 8 8 LYS CA C 13 55.907 0.400 . 1 . . . . 87 LYS CA . 18165 1 761 . 2 2 8 8 LYS CB C 13 38.153 0.400 . 1 . . . . 87 LYS CB . 18165 1 762 . 2 2 8 8 LYS CG C 13 26.851 0.400 . 1 . . . . 87 LYS CG . 18165 1 763 . 2 2 8 8 LYS CD C 13 30.598 0.400 . 1 . . . . 87 LYS CD . 18165 1 764 . 2 2 8 8 LYS CE C 13 43.556 0.400 . 1 . . . . 87 LYS CE . 18165 1 765 . 2 2 8 8 LYS N N 15 120.679 0.400 . 1 . . . . 87 LYS N . 18165 1 766 . 2 2 9 9 VAL H H 1 9.089 0.020 . 1 . . . . 88 VAL H . 18165 1 767 . 2 2 9 9 VAL HA H 1 4.988 0.020 . 1 . . . . 88 VAL HA . 18165 1 768 . 2 2 9 9 VAL HB H 1 1.961 0.020 . 1 . . . . 88 VAL HB . 18165 1 769 . 2 2 9 9 VAL HG11 H 1 0.842 0.020 . 2 . . . . 88 VAL HG1 . 18165 1 770 . 2 2 9 9 VAL HG12 H 1 0.842 0.020 . 2 . . . . 88 VAL HG1 . 18165 1 771 . 2 2 9 9 VAL HG13 H 1 0.842 0.020 . 2 . . . . 88 VAL HG1 . 18165 1 772 . 2 2 9 9 VAL HG21 H 1 0.625 0.020 . 2 . . . . 88 VAL HG2 . 18165 1 773 . 2 2 9 9 VAL HG22 H 1 0.625 0.020 . 2 . . . . 88 VAL HG2 . 18165 1 774 . 2 2 9 9 VAL HG23 H 1 0.625 0.020 . 2 . . . . 88 VAL HG2 . 18165 1 775 . 2 2 9 9 VAL CA C 13 59.313 0.400 . 1 . . . . 88 VAL CA . 18165 1 776 . 2 2 9 9 VAL CB C 13 36.466 0.400 . 1 . . . . 88 VAL CB . 18165 1 777 . 2 2 9 9 VAL CG1 C 13 23.151 0.400 . 2 . . . . 88 VAL CG1 . 18165 1 778 . 2 2 9 9 VAL CG2 C 13 20.623 0.400 . 2 . . . . 88 VAL CG2 . 18165 1 779 . 2 2 9 9 VAL N N 15 111.143 0.400 . 1 . . . . 88 VAL N . 18165 1 780 . 2 2 10 10 LYS H H 1 8.986 0.020 . 1 . . . . 89 LYS H . 18165 1 781 . 2 2 10 10 LYS HA H 1 5.344 0.020 . 1 . . . . 89 LYS HA . 18165 1 782 . 2 2 10 10 LYS HB2 H 1 1.645 0.020 . 2 . . . . 89 LYS HB2 . 18165 1 783 . 2 2 10 10 LYS HB3 H 1 1.504 0.020 . 2 . . . . 89 LYS HB3 . 18165 1 784 . 2 2 10 10 LYS HG2 H 1 1.342 0.020 . 2 . . . . 89 LYS HG2 . 18165 1 785 . 2 2 10 10 LYS HG3 H 1 1.187 0.020 . 2 . . . . 89 LYS HG3 . 18165 1 786 . 2 2 10 10 LYS HD2 H 1 1.588 0.020 . 2 . . . . 89 LYS HD2 . 18165 1 787 . 2 2 10 10 LYS HD3 H 1 1.588 0.020 . 2 . . . . 89 LYS HD3 . 18165 1 788 . 2 2 10 10 LYS HE2 H 1 2.853 0.020 . 2 . . . . 89 LYS HE2 . 18165 1 789 . 2 2 10 10 LYS HE3 H 1 2.853 0.020 . 2 . . . . 89 LYS HE3 . 18165 1 790 . 2 2 10 10 LYS CA C 13 54.125 0.400 . 1 . . . . 89 LYS CA . 18165 1 791 . 2 2 10 10 LYS CB C 13 37.055 0.400 . 1 . . . . 89 LYS CB . 18165 1 792 . 2 2 10 10 LYS CG C 13 25.864 0.400 . 1 . . . . 89 LYS CG . 18165 1 793 . 2 2 10 10 LYS CD C 13 30.721 0.400 . 1 . . . . 89 LYS CD . 18165 1 794 . 2 2 10 10 LYS CE C 13 43.114 0.400 . 1 . . . . 89 LYS CE . 18165 1 795 . 2 2 10 10 LYS N N 15 120.057 0.400 . 1 . . . . 89 LYS N . 18165 1 796 . 2 2 11 11 THR H H 1 9.126 0.020 . 1 . . . . 90 THR H . 18165 1 797 . 2 2 11 11 THR HA H 1 4.473 0.020 . 1 . . . . 90 THR HA . 18165 1 798 . 2 2 11 11 THR HB H 1 4.441 0.020 . 1 . . . . 90 THR HB . 18165 1 799 . 2 2 11 11 THR HG21 H 1 -0.134 0.020 . . . . . . 90 THR HG2 . 18165 1 800 . 2 2 11 11 THR HG22 H 1 -0.134 0.020 . . . . . . 90 THR HG2 . 18165 1 801 . 2 2 11 11 THR HG23 H 1 -0.134 0.020 . . . . . . 90 THR HG2 . 18165 1 802 . 2 2 11 11 THR CA C 13 62.181 0.400 . 1 . . . . 90 THR CA . 18165 1 803 . 2 2 11 11 THR CB C 13 70.653 0.400 . 1 . . . . 90 THR CB . 18165 1 804 . 2 2 11 11 THR CG2 C 13 22.962 0.400 . 1 . . . . 90 THR CG2 . 18165 1 805 . 2 2 11 11 THR N N 15 117.007 0.400 . 1 . . . . 90 THR N . 18165 1 806 . 2 2 12 12 ILE H H 1 9.232 0.020 . 1 . . . . 91 ILE H . 18165 1 807 . 2 2 12 12 ILE HA H 1 4.389 0.020 . 1 . . . . 91 ILE HA . 18165 1 808 . 2 2 12 12 ILE HB H 1 1.884 0.020 . 1 . . . . 91 ILE HB . 18165 1 809 . 2 2 12 12 ILE HG12 H 1 1.087 0.020 . 2 . . . . 91 ILE HG12 . 18165 1 810 . 2 2 12 12 ILE HG13 H 1 0.739 0.020 . 2 . . . . 91 ILE HG13 . 18165 1 811 . 2 2 12 12 ILE HG21 H 1 0.662 0.020 . 1 . . . . 91 ILE HG2 . 18165 1 812 . 2 2 12 12 ILE HG22 H 1 0.662 0.020 . 1 . . . . 91 ILE HG2 . 18165 1 813 . 2 2 12 12 ILE HG23 H 1 0.662 0.020 . 1 . . . . 91 ILE HG2 . 18165 1 814 . 2 2 12 12 ILE HD11 H 1 0.802 0.020 . 1 . . . . 91 ILE HD1 . 18165 1 815 . 2 2 12 12 ILE HD12 H 1 0.802 0.020 . 1 . . . . 91 ILE HD1 . 18165 1 816 . 2 2 12 12 ILE HD13 H 1 0.802 0.020 . 1 . . . . 91 ILE HD1 . 18165 1 817 . 2 2 12 12 ILE CA C 13 62.022 0.400 . 1 . . . . 91 ILE CA . 18165 1 818 . 2 2 12 12 ILE CB C 13 40.215 0.400 . 1 . . . . 91 ILE CB . 18165 1 819 . 2 2 12 12 ILE CG1 C 13 28.087 0.400 . 1 . . . . 91 ILE CG1 . 18165 1 820 . 2 2 12 12 ILE CG2 C 13 19.667 0.400 . 1 . . . . 91 ILE CG2 . 18165 1 821 . 2 2 12 12 ILE CD1 C 13 14.979 0.400 . 1 . . . . 91 ILE CD1 . 18165 1 822 . 2 2 12 12 ILE N N 15 118.031 0.400 . 1 . . . . 91 ILE N . 18165 1 823 . 2 2 13 13 PHE H H 1 7.871 0.020 . 1 . . . . 92 PHE H . 18165 1 824 . 2 2 13 13 PHE HA H 1 4.902 0.020 . 1 . . . . 92 PHE HA . 18165 1 825 . 2 2 13 13 PHE HB2 H 1 2.857 0.020 . 2 . . . . 92 PHE HB2 . 18165 1 826 . 2 2 13 13 PHE HB3 H 1 2.515 0.020 . 2 . . . . 92 PHE HB3 . 18165 1 827 . 2 2 13 13 PHE HD1 H 1 7.136 0.020 . 3 . . . . 92 PHE HD1 . 18165 1 828 . 2 2 13 13 PHE HD2 H 1 7.136 0.020 . 3 . . . . 92 PHE HD2 . 18165 1 829 . 2 2 13 13 PHE HE1 H 1 7.328 0.020 . 3 . . . . 92 PHE HE1 . 18165 1 830 . 2 2 13 13 PHE HE2 H 1 7.328 0.020 . 3 . . . . 92 PHE HE2 . 18165 1 831 . 2 2 13 13 PHE HZ H 1 6.958 0.020 . 1 . . . . 92 PHE HZ . 18165 1 832 . 2 2 13 13 PHE CA C 13 57.117 0.400 . 1 . . . . 92 PHE CA . 18165 1 833 . 2 2 13 13 PHE CB C 13 43.870 0.400 . 1 . . . . 92 PHE CB . 18165 1 834 . 2 2 13 13 PHE CD1 C 13 133.485 0.400 . 3 . . . . 92 PHE CD1 . 18165 1 835 . 2 2 13 13 PHE CE1 C 13 132.519 0.400 . 3 . . . . 92 PHE CE1 . 18165 1 836 . 2 2 13 13 PHE CZ C 13 133.244 0.400 . 1 . . . . 92 PHE CZ . 18165 1 837 . 2 2 13 13 PHE N N 15 120.461 0.400 . 1 . . . . 92 PHE N . 18165 1 838 . 2 2 14 14 PRO HA H 1 4.674 0.020 . 1 . . . . 93 PRO HA . 18165 1 839 . 2 2 14 14 PRO HB2 H 1 2.425 0.020 . 2 . . . . 93 PRO HB2 . 18165 1 840 . 2 2 14 14 PRO HB3 H 1 2.091 0.020 . 2 . . . . 93 PRO HB3 . 18165 1 841 . 2 2 14 14 PRO HG2 H 1 2.054 0.020 . 2 . . . . 93 PRO HG2 . 18165 1 842 . 2 2 14 14 PRO HG3 H 1 2.010 0.020 . 2 . . . . 93 PRO HG3 . 18165 1 843 . 2 2 14 14 PRO HD2 H 1 3.602 0.020 . 2 . . . . 93 PRO HD2 . 18165 1 844 . 2 2 14 14 PRO HD3 H 1 3.144 0.020 . 2 . . . . 93 PRO HD3 . 18165 1 845 . 2 2 14 14 PRO CA C 13 63.984 0.400 . 1 . . . . 93 PRO CA . 18165 1 846 . 2 2 14 14 PRO CB C 13 33.838 0.400 . 1 . . . . 93 PRO CB . 18165 1 847 . 2 2 14 14 PRO CG C 13 28.328 0.400 . 1 . . . . 93 PRO CG . 18165 1 848 . 2 2 14 14 PRO CD C 13 51.182 0.400 . 1 . . . . 93 PRO CD . 18165 1 849 . 2 2 15 15 HIS H H 1 8.331 0.020 . 1 . . . . 94 HIS H . 18165 1 850 . 2 2 15 15 HIS HA H 1 4.888 0.020 . 1 . . . . 94 HIS HA . 18165 1 851 . 2 2 15 15 HIS HB2 H 1 2.637 0.020 . 2 . . . . 94 HIS HB2 . 18165 1 852 . 2 2 15 15 HIS HB3 H 1 1.334 0.020 . 2 . . . . 94 HIS HB3 . 18165 1 853 . 2 2 15 15 HIS HD2 H 1 6.759 0.020 . 1 . . . . 94 HIS HD2 . 18165 1 854 . 2 2 15 15 HIS HE1 H 1 7.725 0.020 . 1 . . . . 94 HIS HE1 . 18165 1 855 . 2 2 15 15 HIS CA C 13 57.671 0.400 . 1 . . . . 94 HIS CA . 18165 1 856 . 2 2 15 15 HIS CB C 13 34.160 0.400 . 1 . . . . 94 HIS CB . 18165 1 857 . 2 2 15 15 HIS CD2 C 13 129.224 0.400 . 1 . . . . 94 HIS CD2 . 18165 1 858 . 2 2 15 15 HIS CE1 C 13 137.136 0.400 . 1 . . . . 94 HIS CE1 . 18165 1 859 . 2 2 15 15 HIS N N 15 118.352 0.400 . 1 . . . . 94 HIS N . 18165 1 860 . 2 2 16 16 THR H H 1 8.347 0.020 . 1 . . . . 95 THR H . 18165 1 861 . 2 2 16 16 THR HA H 1 4.478 0.020 . 1 . . . . 95 THR HA . 18165 1 862 . 2 2 16 16 THR HB H 1 4.002 0.020 . 1 . . . . 95 THR HB . 18165 1 863 . 2 2 16 16 THR HG21 H 1 1.154 0.020 . . . . . . 95 THR HG2 . 18165 1 864 . 2 2 16 16 THR HG22 H 1 1.154 0.020 . . . . . . 95 THR HG2 . 18165 1 865 . 2 2 16 16 THR HG23 H 1 1.154 0.020 . . . . . . 95 THR HG2 . 18165 1 866 . 2 2 16 16 THR CA C 13 61.132 0.400 . 1 . . . . 95 THR CA . 18165 1 867 . 2 2 16 16 THR CB C 13 71.183 0.400 . 1 . . . . 95 THR CB . 18165 1 868 . 2 2 16 16 THR CG2 C 13 22.364 0.400 . 1 . . . . 95 THR CG2 . 18165 1 869 . 2 2 16 16 THR N N 15 121.883 0.400 . 1 . . . . 95 THR N . 18165 1 870 . 2 2 17 17 ALA H H 1 8.400 0.020 . 1 . . . . 96 ALA H . 18165 1 871 . 2 2 17 17 ALA HA H 1 3.962 0.020 . 1 . . . . 96 ALA HA . 18165 1 872 . 2 2 17 17 ALA HB1 H 1 1.358 0.020 . 1 . . . . 96 ALA HB . 18165 1 873 . 2 2 17 17 ALA HB2 H 1 1.358 0.020 . 1 . . . . 96 ALA HB . 18165 1 874 . 2 2 17 17 ALA HB3 H 1 1.358 0.020 . 1 . . . . 96 ALA HB . 18165 1 875 . 2 2 17 17 ALA CA C 13 54.543 0.400 . 1 . . . . 96 ALA CA . 18165 1 876 . 2 2 17 17 ALA CB C 13 21.980 0.400 . 1 . . . . 96 ALA CB . 18165 1 877 . 2 2 17 17 ALA N N 15 127.883 0.400 . 1 . . . . 96 ALA N . 18165 1 878 . 2 2 18 18 GLY H H 1 8.182 0.020 . 1 . . . . 97 GLY H . 18165 1 879 . 2 2 18 18 GLY HA2 H 1 3.928 0.020 . 2 . . . . 97 GLY HA2 . 18165 1 880 . 2 2 18 18 GLY HA3 H 1 3.696 0.020 . 2 . . . . 97 GLY HA3 . 18165 1 881 . 2 2 18 18 GLY CA C 13 47.376 0.400 . 1 . . . . 97 GLY CA . 18165 1 882 . 2 2 18 18 GLY N N 15 105.961 0.400 . 1 . . . . 97 GLY N . 18165 1 883 . 2 2 19 19 SER HA H 1 4.423 0.020 . 1 . . . . 98 SER HA . 18165 1 884 . 2 2 19 19 SER HB2 H 1 4.072 0.020 . 2 . . . . 98 SER HB2 . 18165 1 885 . 2 2 19 19 SER HB3 H 1 3.919 0.020 . 2 . . . . 98 SER HB3 . 18165 1 886 . 2 2 19 19 SER CA C 13 59.707 0.400 . 1 . . . . 98 SER CA . 18165 1 887 . 2 2 19 19 SER CB C 13 64.526 0.400 . 1 . . . . 98 SER CB . 18165 1 888 . 2 2 20 20 ASN H H 1 7.717 0.020 . 1 . . . . 99 ASN H . 18165 1 889 . 2 2 20 20 ASN HB2 H 1 3.269 0.020 . 2 . . . . 99 ASN HB2 . 18165 1 890 . 2 2 20 20 ASN HB3 H 1 2.904 0.020 . 2 . . . . 99 ASN HB3 . 18165 1 891 . 2 2 20 20 ASN HD21 H 1 8.157 0.020 . 2 . . . . 99 ASN HD21 . 18165 1 892 . 2 2 20 20 ASN HD22 H 1 7.394 0.020 . 2 . . . . 99 ASN HD22 . 18165 1 893 . 2 2 20 20 ASN CB C 13 39.892 0.400 . 1 . . . . 99 ASN CB . 18165 1 894 . 2 2 20 20 ASN N N 15 119.786 0.400 . 1 . . . . 99 ASN N . 18165 1 895 . 2 2 20 20 ASN ND2 N 15 113.327 0.400 . 1 . . . . 99 ASN ND2 . 18165 1 896 . 2 2 21 21 LYS HA H 1 4.398 0.020 . 1 . . . . 100 LYS HA . 18165 1 897 . 2 2 21 21 LYS HB2 H 1 2.132 0.020 . 2 . . . . 100 LYS HB2 . 18165 1 898 . 2 2 21 21 LYS HB3 H 1 1.953 0.020 . 2 . . . . 100 LYS HB3 . 18165 1 899 . 2 2 21 21 LYS HG2 H 1 1.660 0.020 . 2 . . . . 100 LYS HG2 . 18165 1 900 . 2 2 21 21 LYS HG3 H 1 1.627 0.020 . 2 . . . . 100 LYS HG3 . 18165 1 901 . 2 2 21 21 LYS HD2 H 1 1.787 0.020 . 2 . . . . 100 LYS HD2 . 18165 1 902 . 2 2 21 21 LYS HD3 H 1 1.787 0.020 . 2 . . . . 100 LYS HD3 . 18165 1 903 . 2 2 21 21 LYS HE2 H 1 3.101 0.020 . 2 . . . . 100 LYS HE2 . 18165 1 904 . 2 2 21 21 LYS HE3 H 1 3.101 0.020 . 2 . . . . 100 LYS HE3 . 18165 1 905 . 2 2 21 21 LYS CA C 13 59.034 0.400 . 1 . . . . 100 LYS CA . 18165 1 906 . 2 2 21 21 LYS CB C 13 33.383 0.400 . 1 . . . . 100 LYS CB . 18165 1 907 . 2 2 21 21 LYS CG C 13 26.249 0.400 . 1 . . . . 100 LYS CG . 18165 1 908 . 2 2 21 21 LYS CD C 13 30.060 0.400 . 1 . . . . 100 LYS CD . 18165 1 909 . 2 2 21 21 LYS CE C 13 43.374 0.400 . 1 . . . . 100 LYS CE . 18165 1 910 . 2 2 22 22 THR H H 1 8.538 0.020 . 1 . . . . 101 THR H . 18165 1 911 . 2 2 22 22 THR HA H 1 4.673 0.020 . 1 . . . . 101 THR HA . 18165 1 912 . 2 2 22 22 THR HB H 1 4.550 0.020 . 1 . . . . 101 THR HB . 18165 1 913 . 2 2 22 22 THR HG21 H 1 1.357 0.020 . . . . . . 101 THR HG2 . 18165 1 914 . 2 2 22 22 THR HG22 H 1 1.357 0.020 . . . . . . 101 THR HG2 . 18165 1 915 . 2 2 22 22 THR HG23 H 1 1.357 0.020 . . . . . . 101 THR HG2 . 18165 1 916 . 2 2 22 22 THR CA C 13 64.238 0.400 . 1 . . . . 101 THR CA . 18165 1 917 . 2 2 22 22 THR CB C 13 70.816 0.400 . 1 . . . . 101 THR CB . 18165 1 918 . 2 2 22 22 THR CG2 C 13 23.534 0.400 . 1 . . . . 101 THR CG2 . 18165 1 919 . 2 2 22 22 THR N N 15 108.835 0.400 . 1 . . . . 101 THR N . 18165 1 920 . 2 2 23 23 LEU H H 1 7.403 0.020 . 1 . . . . 102 LEU H . 18165 1 921 . 2 2 23 23 LEU HA H 1 5.515 0.020 . 1 . . . . 102 LEU HA . 18165 1 922 . 2 2 23 23 LEU HB2 H 1 2.127 0.020 . 2 . . . . 102 LEU HB2 . 18165 1 923 . 2 2 23 23 LEU HB3 H 1 1.640 0.020 . 2 . . . . 102 LEU HB3 . 18165 1 924 . 2 2 23 23 LEU HG H 1 1.806 0.020 . 1 . . . . 102 LEU HG . 18165 1 925 . 2 2 23 23 LEU HD11 H 1 1.292 0.020 . 2 . . . . 102 LEU HD1 . 18165 1 926 . 2 2 23 23 LEU HD12 H 1 1.292 0.020 . 2 . . . . 102 LEU HD1 . 18165 1 927 . 2 2 23 23 LEU HD13 H 1 1.292 0.020 . 2 . . . . 102 LEU HD1 . 18165 1 928 . 2 2 23 23 LEU HD21 H 1 0.912 0.020 . 2 . . . . 102 LEU HD2 . 18165 1 929 . 2 2 23 23 LEU HD22 H 1 0.912 0.020 . 2 . . . . 102 LEU HD2 . 18165 1 930 . 2 2 23 23 LEU HD23 H 1 0.912 0.020 . 2 . . . . 102 LEU HD2 . 18165 1 931 . 2 2 23 23 LEU CA C 13 54.647 0.400 . 1 . . . . 102 LEU CA . 18165 1 932 . 2 2 23 23 LEU CB C 13 45.297 0.400 . 1 . . . . 102 LEU CB . 18165 1 933 . 2 2 23 23 LEU CG C 13 28.984 0.400 . 1 . . . . 102 LEU CG . 18165 1 934 . 2 2 23 23 LEU CD1 C 13 27.177 0.400 . 2 . . . . 102 LEU CD1 . 18165 1 935 . 2 2 23 23 LEU CD2 C 13 25.243 0.400 . 2 . . . . 102 LEU CD2 . 18165 1 936 . 2 2 23 23 LEU N N 15 119.302 0.400 . 1 . . . . 102 LEU N . 18165 1 937 . 2 2 24 24 LEU H H 1 8.731 0.020 . 1 . . . . 103 LEU H . 18165 1 938 . 2 2 24 24 LEU HA H 1 4.636 0.020 . 1 . . . . 103 LEU HA . 18165 1 939 . 2 2 24 24 LEU HB2 H 1 1.888 0.020 . 2 . . . . 103 LEU HB2 . 18165 1 940 . 2 2 24 24 LEU HB3 H 1 0.935 0.020 . 2 . . . . 103 LEU HB3 . 18165 1 941 . 2 2 24 24 LEU HG H 1 1.722 0.020 . 1 . . . . 103 LEU HG . 18165 1 942 . 2 2 24 24 LEU HD11 H 1 0.739 0.020 . 2 . . . . 103 LEU HD1 . 18165 1 943 . 2 2 24 24 LEU HD12 H 1 0.739 0.020 . 2 . . . . 103 LEU HD1 . 18165 1 944 . 2 2 24 24 LEU HD13 H 1 0.739 0.020 . 2 . . . . 103 LEU HD1 . 18165 1 945 . 2 2 24 24 LEU HD21 H 1 0.893 0.020 . 2 . . . . 103 LEU HD2 . 18165 1 946 . 2 2 24 24 LEU HD22 H 1 0.893 0.020 . 2 . . . . 103 LEU HD2 . 18165 1 947 . 2 2 24 24 LEU HD23 H 1 0.893 0.020 . 2 . . . . 103 LEU HD2 . 18165 1 948 . 2 2 24 24 LEU CA C 13 54.580 0.400 . 1 . . . . 103 LEU CA . 18165 1 949 . 2 2 24 24 LEU CB C 13 46.755 0.400 . 1 . . . . 103 LEU CB . 18165 1 950 . 2 2 24 24 LEU CG C 13 28.147 0.400 . 1 . . . . 103 LEU CG . 18165 1 951 . 2 2 24 24 LEU CD1 C 13 27.744 0.400 . 2 . . . . 103 LEU CD1 . 18165 1 952 . 2 2 24 24 LEU CD2 C 13 25.780 0.400 . 2 . . . . 103 LEU CD2 . 18165 1 953 . 2 2 24 24 LEU N N 15 121.462 0.400 . 1 . . . . 103 LEU N . 18165 1 954 . 2 2 25 25 SER H H 1 8.498 0.020 . 1 . . . . 104 SER H . 18165 1 955 . 2 2 25 25 SER HA H 1 4.821 0.020 . 1 . . . . 104 SER HA . 18165 1 956 . 2 2 25 25 SER HB2 H 1 4.025 0.020 . 2 . . . . 104 SER HB2 . 18165 1 957 . 2 2 25 25 SER HB3 H 1 3.796 0.020 . 2 . . . . 104 SER HB3 . 18165 1 958 . 2 2 25 25 SER CA C 13 59.351 0.400 . 1 . . . . 104 SER CA . 18165 1 959 . 2 2 25 25 SER CB C 13 65.905 0.400 . 1 . . . . 104 SER CB . 18165 1 960 . 2 2 25 25 SER N N 15 121.944 0.400 . 1 . . . . 104 SER N . 18165 1 961 . 2 2 26 26 PHE H H 1 8.854 0.020 . 1 . . . . 105 PHE H . 18165 1 962 . 2 2 26 26 PHE HA H 1 4.898 0.020 . 1 . . . . 105 PHE HA . 18165 1 963 . 2 2 26 26 PHE HB2 H 1 3.741 0.020 . 2 . . . . 105 PHE HB2 . 18165 1 964 . 2 2 26 26 PHE HB3 H 1 3.554 0.020 . 2 . . . . 105 PHE HB3 . 18165 1 965 . 2 2 26 26 PHE HD1 H 1 6.848 0.020 . 3 . . . . 105 PHE HD1 . 18165 1 966 . 2 2 26 26 PHE HD2 H 1 6.848 0.020 . 3 . . . . 105 PHE HD2 . 18165 1 967 . 2 2 26 26 PHE HZ H 1 6.774 0.020 . 1 . . . . 105 PHE HZ . 18165 1 968 . 2 2 26 26 PHE CA C 13 57.327 0.400 . 1 . . . . 105 PHE CA . 18165 1 969 . 2 2 26 26 PHE CB C 13 41.642 0.400 . 1 . . . . 105 PHE CB . 18165 1 970 . 2 2 26 26 PHE CD1 C 13 134.749 0.400 . 3 . . . . 105 PHE CD1 . 18165 1 971 . 2 2 26 26 PHE CZ C 13 131.951 0.400 . 1 . . . . 105 PHE CZ . 18165 1 972 . 2 2 26 26 PHE N N 15 114.241 0.400 . 1 . . . . 105 PHE N . 18165 1 973 . 2 2 27 27 ALA H H 1 8.727 0.020 . 1 . . . . 106 ALA H . 18165 1 974 . 2 2 27 27 ALA HA H 1 4.794 0.020 . 1 . . . . 106 ALA HA . 18165 1 975 . 2 2 27 27 ALA HB1 H 1 1.552 0.020 . 1 . . . . 106 ALA HB . 18165 1 976 . 2 2 27 27 ALA HB2 H 1 1.552 0.020 . 1 . . . . 106 ALA HB . 18165 1 977 . 2 2 27 27 ALA HB3 H 1 1.552 0.020 . 1 . . . . 106 ALA HB . 18165 1 978 . 2 2 27 27 ALA CA C 13 51.347 0.400 . 1 . . . . 106 ALA CA . 18165 1 979 . 2 2 27 27 ALA CB C 13 21.878 0.400 . 1 . . . . 106 ALA CB . 18165 1 980 . 2 2 27 27 ALA N N 15 124.131 0.400 . 1 . . . . 106 ALA N . 18165 1 981 . 2 2 28 28 GLN H H 1 8.865 0.020 . 1 . . . . 107 GLN H . 18165 1 982 . 2 2 28 28 GLN HA H 1 3.648 0.020 . 1 . . . . 107 GLN HA . 18165 1 983 . 2 2 28 28 GLN HB2 H 1 1.941 0.020 . 2 . . . . 107 GLN HB2 . 18165 1 984 . 2 2 28 28 GLN HB3 H 1 1.683 0.020 . 2 . . . . 107 GLN HB3 . 18165 1 985 . 2 2 28 28 GLN HG2 H 1 2.148 0.020 . 2 . . . . 107 GLN HG2 . 18165 1 986 . 2 2 28 28 GLN HG3 H 1 1.955 0.020 . 2 . . . . 107 GLN HG3 . 18165 1 987 . 2 2 28 28 GLN HE21 H 1 7.345 0.020 . 2 . . . . 107 GLN HE21 . 18165 1 988 . 2 2 28 28 GLN HE22 H 1 6.853 0.020 . 2 . . . . 107 GLN HE22 . 18165 1 989 . 2 2 28 28 GLN CA C 13 58.943 0.400 . 1 . . . . 107 GLN CA . 18165 1 990 . 2 2 28 28 GLN CB C 13 30.110 0.400 . 1 . . . . 107 GLN CB . 18165 1 991 . 2 2 28 28 GLN CG C 13 34.730 0.400 . 1 . . . . 107 GLN CG . 18165 1 992 . 2 2 28 28 GLN N N 15 120.679 0.400 . 1 . . . . 107 GLN N . 18165 1 993 . 2 2 28 28 GLN NE2 N 15 110.724 0.400 . 1 . . . . 107 GLN NE2 . 18165 1 994 . 2 2 29 29 GLY H H 1 8.285 0.020 . 1 . . . . 108 GLY H . 18165 1 995 . 2 2 29 29 GLY HA2 H 1 4.295 0.020 . 2 . . . . 108 GLY HA2 . 18165 1 996 . 2 2 29 29 GLY HA3 H 1 3.488 0.020 . 2 . . . . 108 GLY HA3 . 18165 1 997 . 2 2 29 29 GLY CA C 13 46.644 0.400 . 1 . . . . 108 GLY CA . 18165 1 998 . 2 2 29 29 GLY N N 15 116.466 0.400 . 1 . . . . 108 GLY N . 18165 1 999 . 2 2 30 30 ASP H H 1 7.521 0.020 . 1 . . . . 109 ASP H . 18165 1 1000 . 2 2 30 30 ASP HA H 1 4.658 0.020 . 1 . . . . 109 ASP HA . 18165 1 1001 . 2 2 30 30 ASP HB2 H 1 2.601 0.020 . 2 . . . . 109 ASP HB2 . 18165 1 1002 . 2 2 30 30 ASP HB3 H 1 2.266 0.020 . 2 . . . . 109 ASP HB3 . 18165 1 1003 . 2 2 30 30 ASP CA C 13 55.236 0.400 . 1 . . . . 109 ASP CA . 18165 1 1004 . 2 2 30 30 ASP CB C 13 43.338 0.400 . 1 . . . . 109 ASP CB . 18165 1 1005 . 2 2 30 30 ASP N N 15 122.016 0.400 . 1 . . . . 109 ASP N . 18165 1 1006 . 2 2 31 31 VAL H H 1 8.018 0.020 . 1 . . . . 110 VAL H . 18165 1 1007 . 2 2 31 31 VAL HA H 1 4.783 0.020 . 1 . . . . 110 VAL HA . 18165 1 1008 . 2 2 31 31 VAL HB H 1 1.722 0.020 . 1 . . . . 110 VAL HB . 18165 1 1009 . 2 2 31 31 VAL HG11 H 1 0.837 0.020 . 2 . . . . 110 VAL HG1 . 18165 1 1010 . 2 2 31 31 VAL HG12 H 1 0.837 0.020 . 2 . . . . 110 VAL HG1 . 18165 1 1011 . 2 2 31 31 VAL HG13 H 1 0.837 0.020 . 2 . . . . 110 VAL HG1 . 18165 1 1012 . 2 2 31 31 VAL HG21 H 1 0.838 0.020 . 2 . . . . 110 VAL HG2 . 18165 1 1013 . 2 2 31 31 VAL HG22 H 1 0.838 0.020 . 2 . . . . 110 VAL HG2 . 18165 1 1014 . 2 2 31 31 VAL HG23 H 1 0.838 0.020 . 2 . . . . 110 VAL HG2 . 18165 1 1015 . 2 2 31 31 VAL CA C 13 62.949 0.400 . 1 . . . . 110 VAL CA . 18165 1 1016 . 2 2 31 31 VAL CB C 13 34.657 0.400 . 1 . . . . 110 VAL CB . 18165 1 1017 . 2 2 31 31 VAL CG1 C 13 24.053 0.400 . 2 . . . . 110 VAL CG1 . 18165 1 1018 . 2 2 31 31 VAL CG2 C 13 23.183 0.400 . 2 . . . . 110 VAL CG2 . 18165 1 1019 . 2 2 31 31 VAL N N 15 118.857 0.400 . 1 . . . . 110 VAL N . 18165 1 1020 . 2 2 32 32 ILE H H 1 8.476 0.020 . 1 . . . . 111 ILE H . 18165 1 1021 . 2 2 32 32 ILE HA H 1 4.334 0.020 . 1 . . . . 111 ILE HA . 18165 1 1022 . 2 2 32 32 ILE HB H 1 1.169 0.020 . 1 . . . . 111 ILE HB . 18165 1 1023 . 2 2 32 32 ILE HG12 H 1 0.460 0.020 . 2 . . . . 111 ILE HG12 . 18165 1 1024 . 2 2 32 32 ILE HG13 H 1 0.402 0.020 . 2 . . . . 111 ILE HG13 . 18165 1 1025 . 2 2 32 32 ILE HG21 H 1 0.348 0.020 . 1 . . . . 111 ILE HG2 . 18165 1 1026 . 2 2 32 32 ILE HG22 H 1 0.348 0.020 . 1 . . . . 111 ILE HG2 . 18165 1 1027 . 2 2 32 32 ILE HG23 H 1 0.348 0.020 . 1 . . . . 111 ILE HG2 . 18165 1 1028 . 2 2 32 32 ILE HD11 H 1 -0.367 0.020 . 1 . . . . 111 ILE HD1 . 18165 1 1029 . 2 2 32 32 ILE HD12 H 1 -0.367 0.020 . 1 . . . . 111 ILE HD1 . 18165 1 1030 . 2 2 32 32 ILE HD13 H 1 -0.367 0.020 . 1 . . . . 111 ILE HD1 . 18165 1 1031 . 2 2 32 32 ILE CA C 13 59.252 0.400 . 1 . . . . 111 ILE CA . 18165 1 1032 . 2 2 32 32 ILE CB C 13 42.469 0.400 . 1 . . . . 111 ILE CB . 18165 1 1033 . 2 2 32 32 ILE CG1 C 13 28.614 0.400 . 1 . . . . 111 ILE CG1 . 18165 1 1034 . 2 2 32 32 ILE CG2 C 13 18.720 0.400 . 1 . . . . 111 ILE CG2 . 18165 1 1035 . 2 2 32 32 ILE CD1 C 13 14.752 0.400 . 1 . . . . 111 ILE CD1 . 18165 1 1036 . 2 2 32 32 ILE N N 15 125.937 0.400 . 1 . . . . 111 ILE N . 18165 1 1037 . 2 2 33 33 THR H H 1 9.016 0.020 . 1 . . . . 112 THR H . 18165 1 1038 . 2 2 33 33 THR HA H 1 4.479 0.020 . 1 . . . . 112 THR HA . 18165 1 1039 . 2 2 33 33 THR HB H 1 3.974 0.020 . 1 . . . . 112 THR HB . 18165 1 1040 . 2 2 33 33 THR HG21 H 1 1.119 0.020 . . . . . . 112 THR HG2 . 18165 1 1041 . 2 2 33 33 THR HG22 H 1 1.119 0.020 . . . . . . 112 THR HG2 . 18165 1 1042 . 2 2 33 33 THR HG23 H 1 1.119 0.020 . . . . . . 112 THR HG2 . 18165 1 1043 . 2 2 33 33 THR CA C 13 64.689 0.400 . 1 . . . . 112 THR CA . 18165 1 1044 . 2 2 33 33 THR CB C 13 70.898 0.400 . 1 . . . . 112 THR CB . 18165 1 1045 . 2 2 33 33 THR CG2 C 13 22.875 0.400 . 1 . . . . 112 THR CG2 . 18165 1 1046 . 2 2 33 33 THR N N 15 123.388 0.400 . 1 . . . . 112 THR N . 18165 1 1047 . 2 2 34 34 LEU H H 1 9.040 0.020 . 1 . . . . 113 LEU H . 18165 1 1048 . 2 2 34 34 LEU HA H 1 4.349 0.020 . 1 . . . . 113 LEU HA . 18165 1 1049 . 2 2 34 34 LEU HB2 H 1 1.445 0.020 . 2 . . . . 113 LEU HB2 . 18165 1 1050 . 2 2 34 34 LEU HB3 H 1 2.056 0.020 . 2 . . . . 113 LEU HB3 . 18165 1 1051 . 2 2 34 34 LEU HG H 1 1.693 0.020 . 1 . . . . 113 LEU HG . 18165 1 1052 . 2 2 34 34 LEU HD11 H 1 0.922 0.020 . 2 . . . . 113 LEU HD1 . 18165 1 1053 . 2 2 34 34 LEU HD12 H 1 0.922 0.020 . 2 . . . . 113 LEU HD1 . 18165 1 1054 . 2 2 34 34 LEU HD13 H 1 0.922 0.020 . 2 . . . . 113 LEU HD1 . 18165 1 1055 . 2 2 34 34 LEU HD21 H 1 0.956 0.020 . 2 . . . . 113 LEU HD2 . 18165 1 1056 . 2 2 34 34 LEU HD22 H 1 0.956 0.020 . 2 . . . . 113 LEU HD2 . 18165 1 1057 . 2 2 34 34 LEU HD23 H 1 0.956 0.020 . 2 . . . . 113 LEU HD2 . 18165 1 1058 . 2 2 34 34 LEU CA C 13 56.896 0.400 . 1 . . . . 113 LEU CA . 18165 1 1059 . 2 2 34 34 LEU CB C 13 42.748 0.400 . 1 . . . . 113 LEU CB . 18165 1 1060 . 2 2 34 34 LEU CG C 13 28.382 0.400 . 1 . . . . 113 LEU CG . 18165 1 1061 . 2 2 34 34 LEU CD1 C 13 26.600 0.400 . 2 . . . . 113 LEU CD1 . 18165 1 1062 . 2 2 34 34 LEU CD2 C 13 25.821 0.400 . 2 . . . . 113 LEU CD2 . 18165 1 1063 . 2 2 34 34 LEU N N 15 125.877 0.400 . 1 . . . . 113 LEU N . 18165 1 1064 . 2 2 35 35 LEU H H 1 8.512 0.020 . 1 . . . . 114 LEU H . 18165 1 1065 . 2 2 35 35 LEU HA H 1 4.665 0.020 . 1 . . . . 114 LEU HA . 18165 1 1066 . 2 2 35 35 LEU HB2 H 1 1.747 0.020 . 2 . . . . 114 LEU HB2 . 18165 1 1067 . 2 2 35 35 LEU HB3 H 1 1.521 0.020 . 2 . . . . 114 LEU HB3 . 18165 1 1068 . 2 2 35 35 LEU HG H 1 1.555 0.020 . 1 . . . . 114 LEU HG . 18165 1 1069 . 2 2 35 35 LEU HD11 H 1 0.729 0.020 . 2 . . . . 114 LEU HD1 . 18165 1 1070 . 2 2 35 35 LEU HD12 H 1 0.729 0.020 . 2 . . . . 114 LEU HD1 . 18165 1 1071 . 2 2 35 35 LEU HD13 H 1 0.729 0.020 . 2 . . . . 114 LEU HD1 . 18165 1 1072 . 2 2 35 35 LEU HD21 H 1 0.833 0.020 . 2 . . . . 114 LEU HD2 . 18165 1 1073 . 2 2 35 35 LEU HD22 H 1 0.833 0.020 . 2 . . . . 114 LEU HD2 . 18165 1 1074 . 2 2 35 35 LEU HD23 H 1 0.833 0.020 . 2 . . . . 114 LEU HD2 . 18165 1 1075 . 2 2 35 35 LEU CA C 13 55.922 0.400 . 1 . . . . 114 LEU CA . 18165 1 1076 . 2 2 35 35 LEU CB C 13 45.008 0.400 . 1 . . . . 114 LEU CB . 18165 1 1077 . 2 2 35 35 LEU CG C 13 28.670 0.400 . 1 . . . . 114 LEU CG . 18165 1 1078 . 2 2 35 35 LEU CD1 C 13 26.755 0.400 . 2 . . . . 114 LEU CD1 . 18165 1 1079 . 2 2 35 35 LEU CD2 C 13 23.615 0.400 . 2 . . . . 114 LEU CD2 . 18165 1 1080 . 2 2 35 35 LEU N N 15 120.559 0.400 . 1 . . . . 114 LEU N . 18165 1 1081 . 2 2 36 36 ILE H H 1 7.395 0.020 . 1 . . . . 115 ILE H . 18165 1 1082 . 2 2 36 36 ILE HA H 1 4.796 0.020 . 1 . . . . 115 ILE HA . 18165 1 1083 . 2 2 36 36 ILE HB H 1 2.140 0.020 . 1 . . . . 115 ILE HB . 18165 1 1084 . 2 2 36 36 ILE HG12 H 1 1.483 0.020 . 2 . . . . 115 ILE HG12 . 18165 1 1085 . 2 2 36 36 ILE HG13 H 1 1.158 0.020 . 2 . . . . 115 ILE HG13 . 18165 1 1086 . 2 2 36 36 ILE HG21 H 1 1.045 0.020 . 1 . . . . 115 ILE HG2 . 18165 1 1087 . 2 2 36 36 ILE HG22 H 1 1.045 0.020 . 1 . . . . 115 ILE HG2 . 18165 1 1088 . 2 2 36 36 ILE HG23 H 1 1.045 0.020 . 1 . . . . 115 ILE HG2 . 18165 1 1089 . 2 2 36 36 ILE HD11 H 1 1.002 0.020 . 1 . . . . 115 ILE HD1 . 18165 1 1090 . 2 2 36 36 ILE HD12 H 1 1.002 0.020 . 1 . . . . 115 ILE HD1 . 18165 1 1091 . 2 2 36 36 ILE HD13 H 1 1.002 0.020 . 1 . . . . 115 ILE HD1 . 18165 1 1092 . 2 2 36 36 ILE CA C 13 59.382 0.400 . 1 . . . . 115 ILE CA . 18165 1 1093 . 2 2 36 36 ILE CB C 13 41.396 0.400 . 1 . . . . 115 ILE CB . 18165 1 1094 . 2 2 36 36 ILE CG1 C 13 26.949 0.400 . 1 . . . . 115 ILE CG1 . 18165 1 1095 . 2 2 36 36 ILE CG2 C 13 19.165 0.400 . 1 . . . . 115 ILE CG2 . 18165 1 1096 . 2 2 36 36 ILE CD1 C 13 15.587 0.400 . 1 . . . . 115 ILE CD1 . 18165 1 1097 . 2 2 36 36 ILE N N 15 114.097 0.400 . 1 . . . . 115 ILE N . 18165 1 1098 . 2 2 37 37 PRO HA H 1 4.502 0.020 . 1 . . . . 116 PRO HA . 18165 1 1099 . 2 2 37 37 PRO HB2 H 1 2.187 0.020 . 2 . . . . 116 PRO HB2 . 18165 1 1100 . 2 2 37 37 PRO HB3 H 1 2.080 0.020 . 2 . . . . 116 PRO HB3 . 18165 1 1101 . 2 2 37 37 PRO HG2 H 1 2.040 0.020 . 2 . . . . 116 PRO HG2 . 18165 1 1102 . 2 2 37 37 PRO HG3 H 1 2.040 0.020 . 2 . . . . 116 PRO HG3 . 18165 1 1103 . 2 2 37 37 PRO HD2 H 1 3.950 0.020 . 2 . . . . 116 PRO HD2 . 18165 1 1104 . 2 2 37 37 PRO HD3 H 1 3.655 0.020 . 2 . . . . 116 PRO HD3 . 18165 1 1105 . 2 2 37 37 PRO CA C 13 65.169 0.400 . 1 . . . . 116 PRO CA . 18165 1 1106 . 2 2 37 37 PRO CB C 13 33.506 0.400 . 1 . . . . 116 PRO CB . 18165 1 1107 . 2 2 37 37 PRO CG C 13 28.165 0.400 . 1 . . . . 116 PRO CG . 18165 1 1108 . 2 2 37 37 PRO CD C 13 52.045 0.400 . 1 . . . . 116 PRO CD . 18165 1 1109 . 2 2 38 38 GLU H H 1 7.112 0.020 . 1 . . . . 117 GLU H . 18165 1 1110 . 2 2 38 38 GLU HA H 1 4.542 0.020 . 1 . . . . 117 GLU HA . 18165 1 1111 . 2 2 38 38 GLU HB2 H 1 2.070 0.020 . 2 . . . . 117 GLU HB2 . 18165 1 1112 . 2 2 38 38 GLU HB3 H 1 1.978 0.020 . 2 . . . . 117 GLU HB3 . 18165 1 1113 . 2 2 38 38 GLU HG2 H 1 2.305 0.020 . 2 . . . . 117 GLU HG2 . 18165 1 1114 . 2 2 38 38 GLU HG3 H 1 2.224 0.020 . 2 . . . . 117 GLU HG3 . 18165 1 1115 . 2 2 38 38 GLU CA C 13 56.481 0.400 . 1 . . . . 117 GLU CA . 18165 1 1116 . 2 2 38 38 GLU CB C 13 33.195 0.400 . 1 . . . . 117 GLU CB . 18165 1 1117 . 2 2 38 38 GLU CG C 13 37.138 0.400 . 1 . . . . 117 GLU CG . 18165 1 1118 . 2 2 38 38 GLU N N 15 115.389 0.400 . 1 . . . . 117 GLU N . 18165 1 1119 . 2 2 39 39 GLU H H 1 8.468 0.020 . 1 . . . . 118 GLU H . 18165 1 1120 . 2 2 39 39 GLU HA H 1 4.591 0.020 . 1 . . . . 118 GLU HA . 18165 1 1121 . 2 2 39 39 GLU HB2 H 1 1.900 0.020 . 2 . . . . 118 GLU HB2 . 18165 1 1122 . 2 2 39 39 GLU HB3 H 1 1.900 0.020 . 2 . . . . 118 GLU HB3 . 18165 1 1123 . 2 2 39 39 GLU HG2 H 1 2.204 0.020 . 2 . . . . 118 GLU HG2 . 18165 1 1124 . 2 2 39 39 GLU HG3 H 1 2.156 0.020 . 2 . . . . 118 GLU HG3 . 18165 1 1125 . 2 2 39 39 GLU CA C 13 57.038 0.400 . 1 . . . . 118 GLU CA . 18165 1 1126 . 2 2 39 39 GLU CB C 13 32.649 0.400 . 1 . . . . 118 GLU CB . 18165 1 1127 . 2 2 39 39 GLU CG C 13 36.953 0.400 . 1 . . . . 118 GLU CG . 18165 1 1128 . 2 2 39 39 GLU N N 15 120.659 0.400 . 1 . . . . 118 GLU N . 18165 1 1129 . 2 2 40 40 LYS H H 1 9.234 0.020 . 1 . . . . 119 LYS H . 18165 1 1130 . 2 2 40 40 LYS HA H 1 4.690 0.020 . 1 . . . . 119 LYS HA . 18165 1 1131 . 2 2 40 40 LYS HB2 H 1 1.713 0.020 . 2 . . . . 119 LYS HB2 . 18165 1 1132 . 2 2 40 40 LYS HB3 H 1 1.713 0.020 . 2 . . . . 119 LYS HB3 . 18165 1 1133 . 2 2 40 40 LYS HG2 H 1 1.393 0.020 . 2 . . . . 119 LYS HG2 . 18165 1 1134 . 2 2 40 40 LYS HG3 H 1 1.393 0.020 . 2 . . . . 119 LYS HG3 . 18165 1 1135 . 2 2 40 40 LYS HD2 H 1 1.600 0.020 . 2 . . . . 119 LYS HD2 . 18165 1 1136 . 2 2 40 40 LYS HD3 H 1 1.600 0.020 . 2 . . . . 119 LYS HD3 . 18165 1 1137 . 2 2 40 40 LYS CA C 13 55.575 0.400 . 1 . . . . 119 LYS CA . 18165 1 1138 . 2 2 40 40 LYS CB C 13 34.132 0.400 . 1 . . . . 119 LYS CB . 18165 1 1139 . 2 2 40 40 LYS CG C 13 25.576 0.400 . 1 . . . . 119 LYS CG . 18165 1 1140 . 2 2 40 40 LYS CD C 13 30.047 0.400 . 1 . . . . 119 LYS CD . 18165 1 1141 . 2 2 40 40 LYS N N 15 122.847 0.400 . 1 . . . . 119 LYS N . 18165 1 1142 . 2 2 41 41 ASP H H 1 9.184 0.020 . 1 . . . . 120 ASP H . 18165 1 1143 . 2 2 41 41 ASP HA H 1 4.285 0.020 . 1 . . . . 120 ASP HA . 18165 1 1144 . 2 2 41 41 ASP HB2 H 1 3.028 0.020 . 2 . . . . 120 ASP HB2 . 18165 1 1145 . 2 2 41 41 ASP HB3 H 1 2.605 0.020 . 2 . . . . 120 ASP HB3 . 18165 1 1146 . 2 2 41 41 ASP CA C 13 56.698 0.400 . 1 . . . . 120 ASP CA . 18165 1 1147 . 2 2 41 41 ASP CB C 13 41.456 0.400 . 1 . . . . 120 ASP CB . 18165 1 1148 . 2 2 41 41 ASP N N 15 125.455 0.400 . 1 . . . . 120 ASP N . 18165 1 1149 . 2 2 42 42 GLY H H 1 7.903 0.020 . 1 . . . . 121 GLY H . 18165 1 1150 . 2 2 42 42 GLY HA2 H 1 4.021 0.020 . 2 . . . . 121 GLY HA2 . 18165 1 1151 . 2 2 42 42 GLY HA3 H 1 3.640 0.020 . 2 . . . . 121 GLY HA3 . 18165 1 1152 . 2 2 42 42 GLY CA C 13 46.358 0.400 . 1 . . . . 121 GLY CA . 18165 1 1153 . 2 2 42 42 GLY N N 15 100.302 0.400 . 1 . . . . 121 GLY N . 18165 1 1154 . 2 2 43 43 TRP H H 1 8.167 0.020 . 1 . . . . 122 TRP H . 18165 1 1155 . 2 2 43 43 TRP HA H 1 5.086 0.020 . 1 . . . . 122 TRP HA . 18165 1 1156 . 2 2 43 43 TRP HB2 H 1 3.411 0.020 . 2 . . . . 122 TRP HB2 . 18165 1 1157 . 2 2 43 43 TRP HB3 H 1 3.311 0.020 . 2 . . . . 122 TRP HB3 . 18165 1 1158 . 2 2 43 43 TRP HD1 H 1 7.228 0.020 . 1 . . . . 122 TRP HD1 . 18165 1 1159 . 2 2 43 43 TRP HE1 H 1 9.962 0.020 . 1 . . . . 122 TRP HE1 . 18165 1 1160 . 2 2 43 43 TRP HE3 H 1 7.207 0.020 . 1 . . . . 122 TRP HE3 . 18165 1 1161 . 2 2 43 43 TRP HZ2 H 1 6.585 0.020 . 1 . . . . 122 TRP HZ2 . 18165 1 1162 . 2 2 43 43 TRP HZ3 H 1 6.784 0.020 . 1 . . . . 122 TRP HZ3 . 18165 1 1163 . 2 2 43 43 TRP HH2 H 1 7.310 0.020 . 1 . . . . 122 TRP HH2 . 18165 1 1164 . 2 2 43 43 TRP CA C 13 57.450 0.400 . 1 . . . . 122 TRP CA . 18165 1 1165 . 2 2 43 43 TRP CB C 13 33.216 0.400 . 1 . . . . 122 TRP CB . 18165 1 1166 . 2 2 43 43 TRP CD1 C 13 130.729 0.400 . 1 . . . . 122 TRP CD1 . 18165 1 1167 . 2 2 43 43 TRP CE3 C 13 119.919 0.400 . 1 . . . . 122 TRP CE3 . 18165 1 1168 . 2 2 43 43 TRP CZ2 C 13 116.295 0.400 . 1 . . . . 122 TRP CZ2 . 18165 1 1169 . 2 2 43 43 TRP CZ3 C 13 121.529 0.400 . 1 . . . . 122 TRP CZ3 . 18165 1 1170 . 2 2 43 43 TRP CH2 C 13 124.763 0.400 . 1 . . . . 122 TRP CH2 . 18165 1 1171 . 2 2 43 43 TRP N N 15 122.145 0.400 . 1 . . . . 122 TRP N . 18165 1 1172 . 2 2 43 43 TRP NE1 N 15 130.099 0.400 . 1 . . . . 122 TRP NE1 . 18165 1 1173 . 2 2 44 44 LEU H H 1 9.046 0.020 . 1 . . . . 123 LEU H . 18165 1 1174 . 2 2 44 44 LEU HA H 1 4.796 0.020 . 1 . . . . 123 LEU HA . 18165 1 1175 . 2 2 44 44 LEU HB2 H 1 0.592 0.020 . 2 . . . . 123 LEU HB2 . 18165 1 1176 . 2 2 44 44 LEU HB3 H 1 0.921 0.020 . 2 . . . . 123 LEU HB3 . 18165 1 1177 . 2 2 44 44 LEU HG H 1 1.306 0.020 . 1 . . . . 123 LEU HG . 18165 1 1178 . 2 2 44 44 LEU HD11 H 1 0.848 0.020 . 2 . . . . 123 LEU HD1 . 18165 1 1179 . 2 2 44 44 LEU HD12 H 1 0.848 0.020 . 2 . . . . 123 LEU HD1 . 18165 1 1180 . 2 2 44 44 LEU HD13 H 1 0.848 0.020 . 2 . . . . 123 LEU HD1 . 18165 1 1181 . 2 2 44 44 LEU HD21 H 1 0.883 0.020 . 2 . . . . 123 LEU HD2 . 18165 1 1182 . 2 2 44 44 LEU HD22 H 1 0.883 0.020 . 2 . . . . 123 LEU HD2 . 18165 1 1183 . 2 2 44 44 LEU HD23 H 1 0.883 0.020 . 2 . . . . 123 LEU HD2 . 18165 1 1184 . 2 2 44 44 LEU CA C 13 54.105 0.400 . 1 . . . . 123 LEU CA . 18165 1 1185 . 2 2 44 44 LEU CB C 13 49.048 0.400 . 1 . . . . 123 LEU CB . 18165 1 1186 . 2 2 44 44 LEU CG C 13 28.887 0.400 . 1 . . . . 123 LEU CG . 18165 1 1187 . 2 2 44 44 LEU CD1 C 13 27.097 0.400 . 2 . . . . 123 LEU CD1 . 18165 1 1188 . 2 2 44 44 LEU CD2 C 13 24.047 0.400 . 2 . . . . 123 LEU CD2 . 18165 1 1189 . 2 2 44 44 LEU N N 15 120.619 0.400 . 1 . . . . 123 LEU N . 18165 1 1190 . 2 2 45 45 TYR H H 1 6.808 0.020 . 1 . . . . 124 TYR H . 18165 1 1191 . 2 2 45 45 TYR HA H 1 4.595 0.020 . 1 . . . . 124 TYR HA . 18165 1 1192 . 2 2 45 45 TYR HB2 H 1 1.820 0.020 . 2 . . . . 124 TYR HB2 . 18165 1 1193 . 2 2 45 45 TYR HB3 H 1 0.195 0.020 . 2 . . . . 124 TYR HB3 . 18165 1 1194 . 2 2 45 45 TYR HD1 H 1 5.605 0.020 . 3 . . . . 124 TYR HD1 . 18165 1 1195 . 2 2 45 45 TYR HD2 H 1 5.605 0.020 . 3 . . . . 124 TYR HD2 . 18165 1 1196 . 2 2 45 45 TYR HE1 H 1 6.347 0.020 . 3 . . . . 124 TYR HE1 . 18165 1 1197 . 2 2 45 45 TYR HE2 H 1 6.347 0.020 . 3 . . . . 124 TYR HE2 . 18165 1 1198 . 2 2 45 45 TYR CA C 13 57.330 0.400 . 1 . . . . 124 TYR CA . 18165 1 1199 . 2 2 45 45 TYR CB C 13 41.183 0.400 . 1 . . . . 124 TYR CB . 18165 1 1200 . 2 2 45 45 TYR CD1 C 13 133.968 0.400 . 3 . . . . 124 TYR CD1 . 18165 1 1201 . 2 2 45 45 TYR CE1 C 13 118.058 0.400 . 3 . . . . 124 TYR CE1 . 18165 1 1202 . 2 2 45 45 TYR N N 15 117.790 0.400 . 1 . . . . 124 TYR N . 18165 1 1203 . 2 2 46 46 GLY H H 1 7.680 0.020 . 1 . . . . 125 GLY H . 18165 1 1204 . 2 2 46 46 GLY HA2 H 1 4.339 0.020 . 2 . . . . 125 GLY HA2 . 18165 1 1205 . 2 2 46 46 GLY HA3 H 1 3.795 0.020 . 2 . . . . 125 GLY HA3 . 18165 1 1206 . 2 2 46 46 GLY CA C 13 46.960 0.400 . 1 . . . . 125 GLY CA . 18165 1 1207 . 2 2 46 46 GLY N N 15 111.712 0.400 . 1 . . . . 125 GLY N . 18165 1 1208 . 2 2 47 47 GLU H H 1 8.879 0.020 . 1 . . . . 126 GLU H . 18165 1 1209 . 2 2 47 47 GLU HA H 1 5.165 0.020 . 1 . . . . 126 GLU HA . 18165 1 1210 . 2 2 47 47 GLU HB2 H 1 1.922 0.020 . 2 . . . . 126 GLU HB2 . 18165 1 1211 . 2 2 47 47 GLU HB3 H 1 1.717 0.020 . 2 . . . . 126 GLU HB3 . 18165 1 1212 . 2 2 47 47 GLU HG2 H 1 1.897 0.020 . 2 . . . . 126 GLU HG2 . 18165 1 1213 . 2 2 47 47 GLU HG3 H 1 1.897 0.020 . 2 . . . . 126 GLU HG3 . 18165 1 1214 . 2 2 47 47 GLU CA C 13 54.185 0.400 . 1 . . . . 126 GLU CA . 18165 1 1215 . 2 2 47 47 GLU CB C 13 36.755 0.400 . 1 . . . . 126 GLU CB . 18165 1 1216 . 2 2 47 47 GLU CG C 13 38.836 0.400 . 1 . . . . 126 GLU CG . 18165 1 1217 . 2 2 47 47 GLU N N 15 117.710 0.400 . 1 . . . . 126 GLU N . 18165 1 1218 . 2 2 48 48 HIS H H 1 9.307 0.020 . 1 . . . . 127 HIS H . 18165 1 1219 . 2 2 48 48 HIS HA H 1 4.107 0.020 . 1 . . . . 127 HIS HA . 18165 1 1220 . 2 2 48 48 HIS HB2 H 1 3.683 0.020 . 2 . . . . 127 HIS HB2 . 18165 1 1221 . 2 2 48 48 HIS HB3 H 1 2.931 0.020 . 2 . . . . 127 HIS HB3 . 18165 1 1222 . 2 2 48 48 HIS HD2 H 1 7.075 0.020 . 1 . . . . 127 HIS HD2 . 18165 1 1223 . 2 2 48 48 HIS HE1 H 1 7.850 0.020 . 1 . . . . 127 HIS HE1 . 18165 1 1224 . 2 2 48 48 HIS CA C 13 59.786 0.400 . 1 . . . . 127 HIS CA . 18165 1 1225 . 2 2 48 48 HIS CB C 13 34.126 0.400 . 1 . . . . 127 HIS CB . 18165 1 1226 . 2 2 48 48 HIS CD2 C 13 118.186 0.400 . 1 . . . . 127 HIS CD2 . 18165 1 1227 . 2 2 48 48 HIS CE1 C 13 141.093 0.400 . 1 . . . . 127 HIS CE1 . 18165 1 1228 . 2 2 48 48 HIS N N 15 128.746 0.400 . 1 . . . . 127 HIS N . 18165 1 1229 . 2 2 49 49 ASP H H 1 8.353 0.020 . 1 . . . . 128 ASP H . 18165 1 1230 . 2 2 49 49 ASP HA H 1 4.512 0.020 . 1 . . . . 128 ASP HA . 18165 1 1231 . 2 2 49 49 ASP HB2 H 1 2.583 0.020 . 2 . . . . 128 ASP HB2 . 18165 1 1232 . 2 2 49 49 ASP HB3 H 1 2.528 0.020 . 2 . . . . 128 ASP HB3 . 18165 1 1233 . 2 2 49 49 ASP CA C 13 58.994 0.400 . 1 . . . . 128 ASP CA . 18165 1 1234 . 2 2 49 49 ASP CB C 13 41.047 0.400 . 1 . . . . 128 ASP CB . 18165 1 1235 . 2 2 49 49 ASP N N 15 127.923 0.400 . 1 . . . . 128 ASP N . 18165 1 1236 . 2 2 50 50 VAL H H 1 9.361 0.020 . 1 . . . . 129 VAL H . 18165 1 1237 . 2 2 50 50 VAL HA H 1 4.237 0.020 . 1 . . . . 129 VAL HA . 18165 1 1238 . 2 2 50 50 VAL HB H 1 2.200 0.020 . 1 . . . . 129 VAL HB . 18165 1 1239 . 2 2 50 50 VAL HG11 H 1 1.097 0.020 . 2 . . . . 129 VAL HG1 . 18165 1 1240 . 2 2 50 50 VAL HG12 H 1 1.097 0.020 . 2 . . . . 129 VAL HG1 . 18165 1 1241 . 2 2 50 50 VAL HG13 H 1 1.097 0.020 . 2 . . . . 129 VAL HG1 . 18165 1 1242 . 2 2 50 50 VAL HG21 H 1 0.990 0.020 . 2 . . . . 129 VAL HG2 . 18165 1 1243 . 2 2 50 50 VAL HG22 H 1 0.990 0.020 . 2 . . . . 129 VAL HG2 . 18165 1 1244 . 2 2 50 50 VAL HG23 H 1 0.990 0.020 . 2 . . . . 129 VAL HG2 . 18165 1 1245 . 2 2 50 50 VAL CA C 13 65.968 0.400 . 1 . . . . 129 VAL CA . 18165 1 1246 . 2 2 50 50 VAL CB C 13 34.575 0.400 . 1 . . . . 129 VAL CB . 18165 1 1247 . 2 2 50 50 VAL CG1 C 13 23.162 0.400 . 2 . . . . 129 VAL CG1 . 18165 1 1248 . 2 2 50 50 VAL CG2 C 13 22.324 0.400 . 2 . . . . 129 VAL CG2 . 18165 1 1249 . 2 2 50 50 VAL N N 15 119.937 0.400 . 1 . . . . 129 VAL N . 18165 1 1250 . 2 2 51 51 SER H H 1 9.363 0.020 . 1 . . . . 130 SER H . 18165 1 1251 . 2 2 51 51 SER HA H 1 4.240 0.020 . 1 . . . . 130 SER HA . 18165 1 1252 . 2 2 51 51 SER HB2 H 1 3.993 0.020 . 2 . . . . 130 SER HB2 . 18165 1 1253 . 2 2 51 51 SER HB3 H 1 3.627 0.020 . 2 . . . . 130 SER HB3 . 18165 1 1254 . 2 2 51 51 SER CA C 13 60.835 0.400 . 1 . . . . 130 SER CA . 18165 1 1255 . 2 2 51 51 SER CB C 13 65.268 0.400 . 1 . . . . 130 SER CB . 18165 1 1256 . 2 2 51 51 SER N N 15 117.409 0.400 . 1 . . . . 130 SER N . 18165 1 1257 . 2 2 52 52 LYS H H 1 8.200 0.020 . 1 . . . . 131 LYS H . 18165 1 1258 . 2 2 52 52 LYS HA H 1 4.196 0.020 . 1 . . . . 131 LYS HA . 18165 1 1259 . 2 2 52 52 LYS HB2 H 1 2.323 0.020 . 2 . . . . 131 LYS HB2 . 18165 1 1260 . 2 2 52 52 LYS HB3 H 1 2.035 0.020 . 2 . . . . 131 LYS HB3 . 18165 1 1261 . 2 2 52 52 LYS HG2 H 1 1.447 0.020 . 2 . . . . 131 LYS HG2 . 18165 1 1262 . 2 2 52 52 LYS HG3 H 1 1.284 0.020 . 2 . . . . 131 LYS HG3 . 18165 1 1263 . 2 2 52 52 LYS HD2 H 1 1.731 0.020 . 2 . . . . 131 LYS HD2 . 18165 1 1264 . 2 2 52 52 LYS HD3 H 1 1.511 0.020 . 2 . . . . 131 LYS HD3 . 18165 1 1265 . 2 2 52 52 LYS HE2 H 1 3.004 0.020 . 2 . . . . 131 LYS HE2 . 18165 1 1266 . 2 2 52 52 LYS HE3 H 1 2.964 0.020 . 2 . . . . 131 LYS HE3 . 18165 1 1267 . 2 2 52 52 LYS CA C 13 58.084 0.400 . 1 . . . . 131 LYS CA . 18165 1 1268 . 2 2 52 52 LYS CB C 13 30.053 0.400 . 1 . . . . 131 LYS CB . 18165 1 1269 . 2 2 52 52 LYS CG C 13 25.552 0.400 . 1 . . . . 131 LYS CG . 18165 1 1270 . 2 2 52 52 LYS CD C 13 29.113 0.400 . 1 . . . . 131 LYS CD . 18165 1 1271 . 2 2 52 52 LYS CE C 13 43.945 0.400 . 1 . . . . 131 LYS CE . 18165 1 1272 . 2 2 52 52 LYS N N 15 113.827 0.400 . 1 . . . . 131 LYS N . 18165 1 1273 . 2 2 53 53 ALA H H 1 7.918 0.020 . 1 . . . . 132 ALA H . 18165 1 1274 . 2 2 53 53 ALA HA H 1 4.374 0.020 . 1 . . . . 132 ALA HA . 18165 1 1275 . 2 2 53 53 ALA HB1 H 1 1.376 0.020 . 1 . . . . 132 ALA HB . 18165 1 1276 . 2 2 53 53 ALA HB2 H 1 1.376 0.020 . 1 . . . . 132 ALA HB . 18165 1 1277 . 2 2 53 53 ALA HB3 H 1 1.376 0.020 . 1 . . . . 132 ALA HB . 18165 1 1278 . 2 2 53 53 ALA CA C 13 53.625 0.400 . 1 . . . . 132 ALA CA . 18165 1 1279 . 2 2 53 53 ALA CB C 13 20.542 0.400 . 1 . . . . 132 ALA CB . 18165 1 1280 . 2 2 53 53 ALA N N 15 121.643 0.400 . 1 . . . . 132 ALA N . 18165 1 1281 . 2 2 54 54 ARG H H 1 8.444 0.020 . 1 . . . . 133 ARG H . 18165 1 1282 . 2 2 54 54 ARG HA H 1 5.717 0.020 . 1 . . . . 133 ARG HA . 18165 1 1283 . 2 2 54 54 ARG HB2 H 1 1.655 0.020 . 2 . . . . 133 ARG HB2 . 18165 1 1284 . 2 2 54 54 ARG HB3 H 1 1.523 0.020 . 2 . . . . 133 ARG HB3 . 18165 1 1285 . 2 2 54 54 ARG HG2 H 1 1.860 0.020 . 2 . . . . 133 ARG HG2 . 18165 1 1286 . 2 2 54 54 ARG HG3 H 1 1.309 0.020 . 2 . . . . 133 ARG HG3 . 18165 1 1287 . 2 2 54 54 ARG HD2 H 1 3.194 0.020 . 2 . . . . 133 ARG HD2 . 18165 1 1288 . 2 2 54 54 ARG HD3 H 1 2.978 0.020 . 2 . . . . 133 ARG HD3 . 18165 1 1289 . 2 2 54 54 ARG CA C 13 55.119 0.400 . 1 . . . . 133 ARG CA . 18165 1 1290 . 2 2 54 54 ARG CB C 13 35.605 0.400 . 1 . . . . 133 ARG CB . 18165 1 1291 . 2 2 54 54 ARG CG C 13 29.135 0.400 . 1 . . . . 133 ARG CG . 18165 1 1292 . 2 2 54 54 ARG CD C 13 45.313 0.400 . 1 . . . . 133 ARG CD . 18165 1 1293 . 2 2 54 54 ARG N N 15 116.064 0.400 . 1 . . . . 133 ARG N . 18165 1 1294 . 2 2 55 55 GLY H H 1 7.842 0.020 . 1 . . . . 134 GLY H . 18165 1 1295 . 2 2 55 55 GLY HA2 H 1 3.978 0.020 . 2 . . . . 134 GLY HA2 . 18165 1 1296 . 2 2 55 55 GLY HA3 H 1 3.909 0.020 . 2 . . . . 134 GLY HA3 . 18165 1 1297 . 2 2 55 55 GLY CA C 13 46.970 0.400 . 1 . . . . 134 GLY CA . 18165 1 1298 . 2 2 55 55 GLY N N 15 106.005 0.400 . 1 . . . . 134 GLY N . 18165 1 1299 . 2 2 56 56 TRP H H 1 9.347 0.020 . 1 . . . . 135 TRP H . 18165 1 1300 . 2 2 56 56 TRP HA H 1 5.952 0.020 . 1 . . . . 135 TRP HA . 18165 1 1301 . 2 2 56 56 TRP HB2 H 1 3.084 0.020 . 2 . . . . 135 TRP HB2 . 18165 1 1302 . 2 2 56 56 TRP HB3 H 1 2.892 0.020 . 2 . . . . 135 TRP HB3 . 18165 1 1303 . 2 2 56 56 TRP HD1 H 1 7.281 0.020 . 1 . . . . 135 TRP HD1 . 18165 1 1304 . 2 2 56 56 TRP HE1 H 1 9.482 0.020 . 1 . . . . 135 TRP HE1 . 18165 1 1305 . 2 2 56 56 TRP HE3 H 1 7.530 0.020 . 1 . . . . 135 TRP HE3 . 18165 1 1306 . 2 2 56 56 TRP HZ2 H 1 7.243 0.020 . 1 . . . . 135 TRP HZ2 . 18165 1 1307 . 2 2 56 56 TRP HZ3 H 1 6.930 0.020 . 1 . . . . 135 TRP HZ3 . 18165 1 1308 . 2 2 56 56 TRP HH2 H 1 7.022 0.020 . 1 . . . . 135 TRP HH2 . 18165 1 1309 . 2 2 56 56 TRP CA C 13 58.066 0.400 . 1 . . . . 135 TRP CA . 18165 1 1310 . 2 2 56 56 TRP CB C 13 32.697 0.400 . 1 . . . . 135 TRP CB . 18165 1 1311 . 2 2 56 56 TRP CD1 C 13 127.846 0.400 . 1 . . . . 135 TRP CD1 . 18165 1 1312 . 2 2 56 56 TRP CE3 C 13 122.831 0.400 . 1 . . . . 135 TRP CE3 . 18165 1 1313 . 2 2 56 56 TRP CZ2 C 13 116.540 0.400 . 1 . . . . 135 TRP CZ2 . 18165 1 1314 . 2 2 56 56 TRP CZ3 C 13 122.902 0.400 . 1 . . . . 135 TRP CZ3 . 18165 1 1315 . 2 2 56 56 TRP CH2 C 13 125.928 0.400 . 1 . . . . 135 TRP CH2 . 18165 1 1316 . 2 2 56 56 TRP N N 15 119.134 0.400 . 1 . . . . 135 TRP N . 18165 1 1317 . 2 2 56 56 TRP NE1 N 15 131.003 0.400 . 1 . . . . 135 TRP NE1 . 18165 1 1318 . 2 2 57 57 PHE H H 1 9.658 0.020 . 1 . . . . 136 PHE H . 18165 1 1319 . 2 2 57 57 PHE HA H 1 5.264 0.020 . 1 . . . . 136 PHE HA . 18165 1 1320 . 2 2 57 57 PHE HB2 H 1 3.456 0.020 . 2 . . . . 136 PHE HB2 . 18165 1 1321 . 2 2 57 57 PHE HB3 H 1 2.796 0.020 . 2 . . . . 136 PHE HB3 . 18165 1 1322 . 2 2 57 57 PHE HD1 H 1 6.873 0.020 . 3 . . . . 136 PHE HD1 . 18165 1 1323 . 2 2 57 57 PHE HD2 H 1 6.873 0.020 . 3 . . . . 136 PHE HD2 . 18165 1 1324 . 2 2 57 57 PHE HE1 H 1 6.696 0.020 . 3 . . . . 136 PHE HE1 . 18165 1 1325 . 2 2 57 57 PHE HE2 H 1 6.696 0.020 . 3 . . . . 136 PHE HE2 . 18165 1 1326 . 2 2 57 57 PHE CA C 13 56.876 0.400 . 1 . . . . 136 PHE CA . 18165 1 1327 . 2 2 57 57 PHE CB C 13 40.251 0.400 . 1 . . . . 136 PHE CB . 18165 1 1328 . 2 2 57 57 PHE CD1 C 13 129.195 0.400 . 3 . . . . 136 PHE CD1 . 18165 1 1329 . 2 2 57 57 PHE CE1 C 13 130.516 0.400 . 3 . . . . 136 PHE CE1 . 18165 1 1330 . 2 2 57 57 PHE N N 15 115.603 0.400 . 1 . . . . 136 PHE N . 18165 1 1331 . 2 2 58 58 PRO HA H 1 4.116 0.020 . 1 . . . . 137 PRO HA . 18165 1 1332 . 2 2 58 58 PRO HB2 H 1 1.627 0.020 . 2 . . . . 137 PRO HB2 . 18165 1 1333 . 2 2 58 58 PRO HB3 H 1 1.627 0.020 . 2 . . . . 137 PRO HB3 . 18165 1 1334 . 2 2 58 58 PRO HG2 H 1 0.858 0.020 . 2 . . . . 137 PRO HG2 . 18165 1 1335 . 2 2 58 58 PRO HG3 H 1 0.800 0.020 . 2 . . . . 137 PRO HG3 . 18165 1 1336 . 2 2 58 58 PRO HD2 H 1 2.833 0.020 . 2 . . . . 137 PRO HD2 . 18165 1 1337 . 2 2 58 58 PRO HD3 H 1 2.544 0.020 . 2 . . . . 137 PRO HD3 . 18165 1 1338 . 2 2 58 58 PRO CA C 13 62.854 0.400 . 1 . . . . 137 PRO CA . 18165 1 1339 . 2 2 58 58 PRO CB C 13 33.019 0.400 . 1 . . . . 137 PRO CB . 18165 1 1340 . 2 2 58 58 PRO CG C 13 28.866 0.400 . 1 . . . . 137 PRO CG . 18165 1 1341 . 2 2 58 58 PRO CD C 13 51.686 0.400 . 1 . . . . 137 PRO CD . 18165 1 1342 . 2 2 59 59 SER H H 1 8.888 0.020 . 1 . . . . 138 SER H . 18165 1 1343 . 2 2 59 59 SER HA H 1 3.948 0.020 . 1 . . . . 138 SER HA . 18165 1 1344 . 2 2 59 59 SER HB2 H 1 3.782 0.020 . 2 . . . . 138 SER HB2 . 18165 1 1345 . 2 2 59 59 SER HB3 H 1 3.620 0.020 . 2 . . . . 138 SER HB3 . 18165 1 1346 . 2 2 59 59 SER CA C 13 62.240 0.400 . 1 . . . . 138 SER CA . 18165 1 1347 . 2 2 59 59 SER CB C 13 63.832 0.400 . 1 . . . . 138 SER CB . 18165 1 1348 . 2 2 59 59 SER N N 15 123.458 0.400 . 1 . . . . 138 SER N . 18165 1 1349 . 2 2 60 60 SER H H 1 9.000 0.020 . 1 . . . . 139 SER H . 18165 1 1350 . 2 2 60 60 SER HA H 1 4.398 0.020 . 1 . . . . 139 SER HA . 18165 1 1351 . 2 2 60 60 SER HB2 H 1 4.171 0.020 . 2 . . . . 139 SER HB2 . 18165 1 1352 . 2 2 60 60 SER HB3 H 1 4.099 0.020 . 2 . . . . 139 SER HB3 . 18165 1 1353 . 2 2 60 60 SER CA C 13 61.488 0.400 . 1 . . . . 139 SER CA . 18165 1 1354 . 2 2 60 60 SER CB C 13 64.393 0.400 . 1 . . . . 139 SER CB . 18165 1 1355 . 2 2 60 60 SER N N 15 115.723 0.400 . 1 . . . . 139 SER N . 18165 1 1356 . 2 2 61 61 TYR H H 1 7.874 0.020 . 1 . . . . 140 TYR H . 18165 1 1357 . 2 2 61 61 TYR HA H 1 4.969 0.020 . 1 . . . . 140 TYR HA . 18165 1 1358 . 2 2 61 61 TYR HB2 H 1 4.066 0.020 . 2 . . . . 140 TYR HB2 . 18165 1 1359 . 2 2 61 61 TYR HB3 H 1 3.642 0.020 . 2 . . . . 140 TYR HB3 . 18165 1 1360 . 2 2 61 61 TYR HD1 H 1 7.470 0.020 . 3 . . . . 140 TYR HD1 . 18165 1 1361 . 2 2 61 61 TYR HD2 H 1 7.470 0.020 . 3 . . . . 140 TYR HD2 . 18165 1 1362 . 2 2 61 61 TYR HE1 H 1 6.834 0.020 . 3 . . . . 140 TYR HE1 . 18165 1 1363 . 2 2 61 61 TYR HE2 H 1 6.834 0.020 . 3 . . . . 140 TYR HE2 . 18165 1 1364 . 2 2 61 61 TYR CA C 13 59.007 0.400 . 1 . . . . 140 TYR CA . 18165 1 1365 . 2 2 61 61 TYR CB C 13 37.698 0.400 . 1 . . . . 140 TYR CB . 18165 1 1366 . 2 2 61 61 TYR CD1 C 13 133.542 0.400 . 3 . . . . 140 TYR CD1 . 18165 1 1367 . 2 2 61 61 TYR CE1 C 13 119.791 0.400 . 3 . . . . 140 TYR CE1 . 18165 1 1368 . 2 2 61 61 TYR N N 15 121.542 0.400 . 1 . . . . 140 TYR N . 18165 1 1369 . 2 2 62 62 THR H H 1 8.423 0.020 . 1 . . . . 141 THR H . 18165 1 1370 . 2 2 62 62 THR HA H 1 5.289 0.020 . 1 . . . . 141 THR HA . 18165 1 1371 . 2 2 62 62 THR HB H 1 3.822 0.020 . 1 . . . . 141 THR HB . 18165 1 1372 . 2 2 62 62 THR HG21 H 1 0.966 0.020 . . . . . . 141 THR HG2 . 18165 1 1373 . 2 2 62 62 THR HG22 H 1 0.966 0.020 . . . . . . 141 THR HG2 . 18165 1 1374 . 2 2 62 62 THR HG23 H 1 0.966 0.020 . . . . . . 141 THR HG2 . 18165 1 1375 . 2 2 62 62 THR CA C 13 62.201 0.400 . 1 . . . . 141 THR CA . 18165 1 1376 . 2 2 62 62 THR CB C 13 74.650 0.400 . 1 . . . . 141 THR CB . 18165 1 1377 . 2 2 62 62 THR CG2 C 13 24.584 0.400 . 1 . . . . 141 THR CG2 . 18165 1 1378 . 2 2 62 62 THR N N 15 110.052 0.400 . 1 . . . . 141 THR N . 18165 1 1379 . 2 2 63 63 LYS H H 1 8.871 0.020 . 1 . . . . 142 LYS H . 18165 1 1380 . 2 2 63 63 LYS HA H 1 4.781 0.020 . 1 . . . . 142 LYS HA . 18165 1 1381 . 2 2 63 63 LYS HB2 H 1 1.749 0.020 . 2 . . . . 142 LYS HB2 . 18165 1 1382 . 2 2 63 63 LYS HB3 H 1 1.749 0.020 . 2 . . . . 142 LYS HB3 . 18165 1 1383 . 2 2 63 63 LYS HG2 H 1 1.391 0.020 . 2 . . . . 142 LYS HG2 . 18165 1 1384 . 2 2 63 63 LYS HG3 H 1 1.391 0.020 . 2 . . . . 142 LYS HG3 . 18165 1 1385 . 2 2 63 63 LYS HD2 H 1 1.683 0.020 . 2 . . . . 142 LYS HD2 . 18165 1 1386 . 2 2 63 63 LYS HD3 H 1 1.683 0.020 . 2 . . . . 142 LYS HD3 . 18165 1 1387 . 2 2 63 63 LYS HE2 H 1 2.909 0.020 . 2 . . . . 142 LYS HE2 . 18165 1 1388 . 2 2 63 63 LYS HE3 H 1 2.909 0.020 . 2 . . . . 142 LYS HE3 . 18165 1 1389 . 2 2 63 63 LYS CA C 13 55.683 0.400 . 1 . . . . 142 LYS CA . 18165 1 1390 . 2 2 63 63 LYS CB C 13 37.658 0.400 . 1 . . . . 142 LYS CB . 18165 1 1391 . 2 2 63 63 LYS CG C 13 25.379 0.400 . 1 . . . . 142 LYS CG . 18165 1 1392 . 2 2 63 63 LYS CD C 13 30.558 0.400 . 1 . . . . 142 LYS CD . 18165 1 1393 . 2 2 63 63 LYS CE C 13 43.378 0.400 . 1 . . . . 142 LYS CE . 18165 1 1394 . 2 2 63 63 LYS N N 15 117.308 0.400 . 1 . . . . 142 LYS N . 18165 1 1395 . 2 2 64 64 LEU H H 1 8.554 0.020 . 1 . . . . 143 LEU H . 18165 1 1396 . 2 2 64 64 LEU HA H 1 4.260 0.020 . 1 . . . . 143 LEU HA . 18165 1 1397 . 2 2 64 64 LEU HB2 H 1 1.608 0.020 . 2 . . . . 143 LEU HB2 . 18165 1 1398 . 2 2 64 64 LEU HB3 H 1 1.608 0.020 . 2 . . . . 143 LEU HB3 . 18165 1 1399 . 2 2 64 64 LEU HG H 1 1.559 0.020 . 1 . . . . 143 LEU HG . 18165 1 1400 . 2 2 64 64 LEU HD11 H 1 0.869 0.020 . 2 . . . . 143 LEU HD1 . 18165 1 1401 . 2 2 64 64 LEU HD12 H 1 0.869 0.020 . 2 . . . . 143 LEU HD1 . 18165 1 1402 . 2 2 64 64 LEU HD13 H 1 0.869 0.020 . 2 . . . . 143 LEU HD1 . 18165 1 1403 . 2 2 64 64 LEU CA C 13 57.945 0.400 . 1 . . . . 143 LEU CA . 18165 1 1404 . 2 2 64 64 LEU CB C 13 43.734 0.400 . 1 . . . . 143 LEU CB . 18165 1 1405 . 2 2 64 64 LEU CG C 13 28.281 0.400 . 1 . . . . 143 LEU CG . 18165 1 1406 . 2 2 64 64 LEU CD1 C 13 26.089 0.400 . 2 . . . . 143 LEU CD1 . 18165 1 1407 . 2 2 64 64 LEU CD2 C 13 25.469 0.400 . 2 . . . . 143 LEU CD2 . 18165 1 1408 . 2 2 64 64 LEU N N 15 123.188 0.400 . 1 . . . . 143 LEU N . 18165 1 1409 . 2 2 65 65 LEU H H 1 8.267 0.020 . 1 . . . . 144 LEU H . 18165 1 1410 . 2 2 65 65 LEU HA H 1 4.353 0.020 . 1 . . . . 144 LEU HA . 18165 1 1411 . 2 2 65 65 LEU HB3 H 1 1.324 0.020 . 2 . . . . 144 LEU HB3 . 18165 1 1412 . 2 2 65 65 LEU HG H 1 1.559 0.020 . 1 . . . . 144 LEU HG . 18165 1 1413 . 2 2 65 65 LEU HD11 H 1 0.848 0.020 . 2 . . . . 144 LEU HD1 . 18165 1 1414 . 2 2 65 65 LEU HD12 H 1 0.848 0.020 . 2 . . . . 144 LEU HD1 . 18165 1 1415 . 2 2 65 65 LEU HD13 H 1 0.848 0.020 . 2 . . . . 144 LEU HD1 . 18165 1 1416 . 2 2 65 65 LEU HD21 H 1 0.848 0.020 . 2 . . . . 144 LEU HD2 . 18165 1 1417 . 2 2 65 65 LEU HD22 H 1 0.848 0.020 . 2 . . . . 144 LEU HD2 . 18165 1 1418 . 2 2 65 65 LEU HD23 H 1 0.848 0.020 . 2 . . . . 144 LEU HD2 . 18165 1 1419 . 2 2 65 65 LEU CA C 13 56.400 0.400 . 1 . . . . 144 LEU CA . 18165 1 1420 . 2 2 65 65 LEU CB C 13 43.760 0.400 . 1 . . . . 144 LEU CB . 18165 1 1421 . 2 2 65 65 LEU CG C 13 28.415 0.400 . 1 . . . . 144 LEU CG . 18165 1 1422 . 2 2 65 65 LEU CD2 C 13 26.557 0.400 . 2 . . . . 144 LEU CD2 . 18165 1 1423 . 2 2 65 65 LEU N N 15 124.994 0.400 . 1 . . . . 144 LEU N . 18165 1 1424 . 2 2 66 66 GLU H H 1 7.984 0.020 . 1 . . . . 145 GLU H . 18165 1 1425 . 2 2 66 66 GLU HA H 1 4.176 0.020 . 1 . . . . 145 GLU HA . 18165 1 1426 . 2 2 66 66 GLU HB2 H 1 2.061 0.020 . 2 . . . . 145 GLU HB2 . 18165 1 1427 . 2 2 66 66 GLU HG2 H 1 2.184 0.020 . 2 . . . . 145 GLU HG2 . 18165 1 1428 . 2 2 66 66 GLU HG3 H 1 2.184 0.020 . 2 . . . . 145 GLU HG3 . 18165 1 1429 . 2 2 66 66 GLU CA C 13 59.153 0.400 . 1 . . . . 145 GLU CA . 18165 1 1430 . 2 2 66 66 GLU CB C 13 32.651 0.400 . 1 . . . . 145 GLU CB . 18165 1 1431 . 2 2 66 66 GLU CG C 13 38.034 0.400 . 1 . . . . 145 GLU CG . 18165 1 1432 . 2 2 66 66 GLU N N 15 127.943 0.400 . 1 . . . . 145 GLU N . 18165 1 1433 . 3 3 2 2 LEU HA H 1 4.413 0.020 . 1 . . . . 163 LEU HA . 18165 1 1434 . 3 3 2 2 LEU HB2 H 1 1.707 0.020 . 2 . . . . 163 LEU HB2 . 18165 1 1435 . 3 3 2 2 LEU HB3 H 1 1.588 0.020 . 2 . . . . 163 LEU HB3 . 18165 1 1436 . 3 3 2 2 LEU HG H 1 1.722 0.020 . 1 . . . . 163 LEU HG . 18165 1 1437 . 3 3 2 2 LEU HD11 H 1 0.925 0.020 . 2 . . . . 163 LEU HD1 . 18165 1 1438 . 3 3 2 2 LEU HD12 H 1 0.925 0.020 . 2 . . . . 163 LEU HD1 . 18165 1 1439 . 3 3 2 2 LEU HD13 H 1 0.925 0.020 . 2 . . . . 163 LEU HD1 . 18165 1 1440 . 3 3 2 2 LEU HD21 H 1 0.877 0.020 . 2 . . . . 163 LEU HD2 . 18165 1 1441 . 3 3 2 2 LEU HD22 H 1 0.877 0.020 . 2 . . . . 163 LEU HD2 . 18165 1 1442 . 3 3 2 2 LEU HD23 H 1 0.877 0.020 . 2 . . . . 163 LEU HD2 . 18165 1 1443 . 3 3 2 2 LEU CA C 13 57.575 0.400 . 1 . . . . 163 LEU CA . 18165 1 1444 . 3 3 2 2 LEU CB C 13 41.916 0.400 . 1 . . . . 163 LEU CB . 18165 1 1445 . 3 3 2 2 LEU CG C 13 28.170 0.400 . 1 . . . . 163 LEU CG . 18165 1 1446 . 3 3 2 2 LEU CD1 C 13 26.212 0.400 . 2 . . . . 163 LEU CD1 . 18165 1 1447 . 3 3 2 2 LEU CD2 C 13 25.251 0.400 . 2 . . . . 163 LEU CD2 . 18165 1 1448 . 3 3 3 3 PRO HA H 1 4.377 0.020 . 1 . . . . 164 PRO HA . 18165 1 1449 . 3 3 3 3 PRO HB2 H 1 2.408 0.020 . 2 . . . . 164 PRO HB2 . 18165 1 1450 . 3 3 3 3 PRO HB3 H 1 1.879 0.020 . 2 . . . . 164 PRO HB3 . 18165 1 1451 . 3 3 3 3 PRO HD2 H 1 3.855 0.020 . 2 . . . . 164 PRO HD2 . 18165 1 1452 . 3 3 3 3 PRO HD3 H 1 3.626 0.020 . 2 . . . . 164 PRO HD3 . 18165 1 1453 . 3 3 3 3 PRO CA C 13 65.766 0.400 . 1 . . . . 164 PRO CA . 18165 1 1454 . 3 3 3 3 PRO CB C 13 32.587 0.400 . 1 . . . . 164 PRO CB . 18165 1 1455 . 3 3 3 3 PRO CD C 13 51.493 0.400 . 1 . . . . 164 PRO CD . 18165 1 1456 . 3 3 4 4 ASP H H 1 8.045 0.020 . 1 . . . . 165 ASP H . 18165 1 1457 . 3 3 4 4 ASP HA H 1 4.408 0.020 . 1 . . . . 165 ASP HA . 18165 1 1458 . 3 3 4 4 ASP HB2 H 1 2.825 0.020 . 2 . . . . 165 ASP HB2 . 18165 1 1459 . 3 3 4 4 ASP HB3 H 1 2.725 0.020 . 2 . . . . 165 ASP HB3 . 18165 1 1460 . 3 3 4 4 ASP CA C 13 57.964 0.400 . 1 . . . . 165 ASP CA . 18165 1 1461 . 3 3 4 4 ASP CB C 13 42.155 0.400 . 1 . . . . 165 ASP CB . 18165 1 1462 . 3 3 4 4 ASP N N 15 118.131 0.400 . 1 . . . . 165 ASP N . 18165 1 1463 . 3 3 5 5 VAL H H 1 8.132 0.020 . 1 . . . . 166 VAL H . 18165 1 1464 . 3 3 5 5 VAL HA H 1 3.745 0.020 . 1 . . . . 166 VAL HA . 18165 1 1465 . 3 3 5 5 VAL HB H 1 2.176 0.020 . 1 . . . . 166 VAL HB . 18165 1 1466 . 3 3 5 5 VAL HG11 H 1 1.074 0.020 . 2 . . . . 166 VAL HG1 . 18165 1 1467 . 3 3 5 5 VAL HG12 H 1 1.074 0.020 . 2 . . . . 166 VAL HG1 . 18165 1 1468 . 3 3 5 5 VAL HG13 H 1 1.074 0.020 . 2 . . . . 166 VAL HG1 . 18165 1 1469 . 3 3 5 5 VAL HG21 H 1 1.038 0.020 . 2 . . . . 166 VAL HG2 . 18165 1 1470 . 3 3 5 5 VAL HG22 H 1 1.038 0.020 . 2 . . . . 166 VAL HG2 . 18165 1 1471 . 3 3 5 5 VAL HG23 H 1 1.038 0.020 . 2 . . . . 166 VAL HG2 . 18165 1 1472 . 3 3 5 5 VAL CA C 13 67.156 0.400 . 1 . . . . 166 VAL CA . 18165 1 1473 . 3 3 5 5 VAL CB C 13 32.178 0.400 . 1 . . . . 166 VAL CB . 18165 1 1474 . 3 3 5 5 VAL CG1 C 13 23.230 0.400 . 2 . . . . 166 VAL CG1 . 18165 1 1475 . 3 3 5 5 VAL CG2 C 13 22.422 0.400 . 2 . . . . 166 VAL CG2 . 18165 1 1476 . 3 3 5 5 VAL N N 15 118.876 0.400 . 1 . . . . 166 VAL N . 18165 1 1477 . 3 3 6 6 ALA H H 1 8.050 0.020 . 1 . . . . 167 ALA H . 18165 1 1478 . 3 3 6 6 ALA HA H 1 3.823 0.020 . 1 . . . . 167 ALA HA . 18165 1 1479 . 3 3 6 6 ALA HB1 H 1 1.445 0.020 . 1 . . . . 167 ALA HB . 18165 1 1480 . 3 3 6 6 ALA HB2 H 1 1.445 0.020 . 1 . . . . 167 ALA HB . 18165 1 1481 . 3 3 6 6 ALA HB3 H 1 1.445 0.020 . 1 . . . . 167 ALA HB . 18165 1 1482 . 3 3 6 6 ALA CA C 13 56.133 0.400 . 1 . . . . 167 ALA CA . 18165 1 1483 . 3 3 6 6 ALA CB C 13 19.576 0.400 . 1 . . . . 167 ALA CB . 18165 1 1484 . 3 3 6 6 ALA N N 15 121.500 0.400 . 1 . . . . 167 ALA N . 18165 1 1485 . 3 3 7 7 GLN H H 1 7.785 0.020 . 1 . . . . 168 GLN H . 18165 1 1486 . 3 3 7 7 GLN HA H 1 3.983 0.020 . 1 . . . . 168 GLN HA . 18165 1 1487 . 3 3 7 7 GLN HB2 H 1 2.228 0.020 . 2 . . . . 168 GLN HB2 . 18165 1 1488 . 3 3 7 7 GLN HB3 H 1 2.228 0.020 . 2 . . . . 168 GLN HB3 . 18165 1 1489 . 3 3 7 7 GLN HG2 H 1 2.458 0.020 . 2 . . . . 168 GLN HG2 . 18165 1 1490 . 3 3 7 7 GLN HG3 H 1 2.458 0.020 . 2 . . . . 168 GLN HG3 . 18165 1 1491 . 3 3 7 7 GLN CA C 13 60.248 0.400 . 1 . . . . 168 GLN CA . 18165 1 1492 . 3 3 7 7 GLN CB C 13 29.134 0.400 . 1 . . . . 168 GLN CB . 18165 1 1493 . 3 3 7 7 GLN CG C 13 34.769 0.400 . 1 . . . . 168 GLN CG . 18165 1 1494 . 3 3 7 7 GLN N N 15 116.203 0.400 . 1 . . . . 168 GLN N . 18165 1 1495 . 3 3 8 8 ARG H H 1 7.982 0.020 . 1 . . . . 169 ARG H . 18165 1 1496 . 3 3 8 8 ARG HA H 1 4.152 0.020 . 1 . . . . 169 ARG HA . 18165 1 1497 . 3 3 8 8 ARG HB2 H 1 2.189 0.020 . 2 . . . . 169 ARG HB2 . 18165 1 1498 . 3 3 8 8 ARG HB3 H 1 2.121 0.020 . 2 . . . . 169 ARG HB3 . 18165 1 1499 . 3 3 8 8 ARG HG2 H 1 2.006 0.020 . 2 . . . . 169 ARG HG2 . 18165 1 1500 . 3 3 8 8 ARG HG3 H 1 1.768 0.020 . 2 . . . . 169 ARG HG3 . 18165 1 1501 . 3 3 8 8 ARG HD2 H 1 3.322 0.020 . 2 . . . . 169 ARG HD2 . 18165 1 1502 . 3 3 8 8 ARG HD3 H 1 3.283 0.020 . 2 . . . . 169 ARG HD3 . 18165 1 1503 . 3 3 8 8 ARG CA C 13 60.519 0.400 . 1 . . . . 169 ARG CA . 18165 1 1504 . 3 3 8 8 ARG CB C 13 30.958 0.400 . 1 . . . . 169 ARG CB . 18165 1 1505 . 3 3 8 8 ARG CG C 13 29.417 0.400 . 1 . . . . 169 ARG CG . 18165 1 1506 . 3 3 8 8 ARG CD C 13 44.696 0.400 . 1 . . . . 169 ARG CD . 18165 1 1507 . 3 3 8 8 ARG N N 15 118.186 0.400 . 1 . . . . 169 ARG N . 18165 1 1508 . 3 3 9 9 LEU H H 1 8.603 0.020 . 1 . . . . 170 LEU H . 18165 1 1509 . 3 3 9 9 LEU HA H 1 3.023 0.020 . 1 . . . . 170 LEU HA . 18165 1 1510 . 3 3 9 9 LEU HB2 H 1 1.927 0.020 . 2 . . . . 170 LEU HB2 . 18165 1 1511 . 3 3 9 9 LEU HB3 H 1 0.796 0.020 . 2 . . . . 170 LEU HB3 . 18165 1 1512 . 3 3 9 9 LEU HG H 1 1.296 0.020 . 1 . . . . 170 LEU HG . 18165 1 1513 . 3 3 9 9 LEU HD11 H 1 0.878 0.020 . 2 . . . . 170 LEU HD1 . 18165 1 1514 . 3 3 9 9 LEU HD12 H 1 0.878 0.020 . 2 . . . . 170 LEU HD1 . 18165 1 1515 . 3 3 9 9 LEU HD13 H 1 0.878 0.020 . 2 . . . . 170 LEU HD1 . 18165 1 1516 . 3 3 9 9 LEU HD21 H 1 0.482 0.020 . 2 . . . . 170 LEU HD2 . 18165 1 1517 . 3 3 9 9 LEU HD22 H 1 0.482 0.020 . 2 . . . . 170 LEU HD2 . 18165 1 1518 . 3 3 9 9 LEU HD23 H 1 0.482 0.020 . 2 . . . . 170 LEU HD2 . 18165 1 1519 . 3 3 9 9 LEU CA C 13 58.637 0.400 . 1 . . . . 170 LEU CA . 18165 1 1520 . 3 3 9 9 LEU CB C 13 40.468 0.400 . 1 . . . . 170 LEU CB . 18165 1 1521 . 3 3 9 9 LEU CG C 13 28.097 0.400 . 1 . . . . 170 LEU CG . 18165 1 1522 . 3 3 9 9 LEU CD1 C 13 26.986 0.400 . 2 . . . . 170 LEU CD1 . 18165 1 1523 . 3 3 9 9 LEU CD2 C 13 23.166 0.400 . 2 . . . . 170 LEU CD2 . 18165 1 1524 . 3 3 9 9 LEU N N 15 124.034 0.400 . 1 . . . . 170 LEU N . 18165 1 1525 . 3 3 10 10 MET H H 1 8.514 0.020 . 1 . . . . 171 MET H . 18165 1 1526 . 3 3 10 10 MET HA H 1 4.019 0.020 . 1 . . . . 171 MET HA . 18165 1 1527 . 3 3 10 10 MET HB2 H 1 2.273 0.020 . 2 . . . . 171 MET HB2 . 18165 1 1528 . 3 3 10 10 MET HB3 H 1 2.116 0.020 . 2 . . . . 171 MET HB3 . 18165 1 1529 . 3 3 10 10 MET HG2 H 1 2.876 0.020 . 2 . . . . 171 MET HG2 . 18165 1 1530 . 3 3 10 10 MET HG3 H 1 2.607 0.020 . 2 . . . . 171 MET HG3 . 18165 1 1531 . 3 3 10 10 MET HE1 H 1 2.100 0.020 . . . . . . 171 MET HE . 18165 1 1532 . 3 3 10 10 MET HE2 H 1 2.100 0.020 . . . . . . 171 MET HE . 18165 1 1533 . 3 3 10 10 MET HE3 H 1 2.100 0.020 . . . . . . 171 MET HE . 18165 1 1534 . 3 3 10 10 MET CA C 13 60.311 0.400 . 1 . . . . 171 MET CA . 18165 1 1535 . 3 3 10 10 MET CB C 13 32.692 0.400 . 1 . . . . 171 MET CB . 18165 1 1536 . 3 3 10 10 MET CG C 13 33.800 0.400 . 1 . . . . 171 MET CG . 18165 1 1537 . 3 3 10 10 MET CE C 13 17.779 0.400 . 1 . . . . 171 MET CE . 18165 1 1538 . 3 3 10 10 MET N N 15 117.766 0.400 . 1 . . . . 171 MET N . 18165 1 1539 . 3 3 11 11 GLN H H 1 7.987 0.020 . 1 . . . . 172 GLN H . 18165 1 1540 . 3 3 11 11 GLN HA H 1 4.151 0.020 . 1 . . . . 172 GLN HA . 18165 1 1541 . 3 3 11 11 GLN HB2 H 1 2.264 0.020 . 2 . . . . 172 GLN HB2 . 18165 1 1542 . 3 3 11 11 GLN HB3 H 1 2.167 0.020 . 2 . . . . 172 GLN HB3 . 18165 1 1543 . 3 3 11 11 GLN HG2 H 1 2.541 0.020 . 2 . . . . 172 GLN HG2 . 18165 1 1544 . 3 3 11 11 GLN HG3 H 1 2.459 0.020 . 2 . . . . 172 GLN HG3 . 18165 1 1545 . 3 3 11 11 GLN CA C 13 59.791 0.400 . 1 . . . . 172 GLN CA . 18165 1 1546 . 3 3 11 11 GLN CB C 13 29.031 0.400 . 1 . . . . 172 GLN CB . 18165 1 1547 . 3 3 11 11 GLN CG C 13 34.179 0.400 . 1 . . . . 172 GLN CG . 18165 1 1548 . 3 3 11 11 GLN N N 15 119.808 0.400 . 1 . . . . 172 GLN N . 18165 1 1549 . 3 3 12 12 HIS H H 1 8.166 0.020 . 1 . . . . 173 HIS H . 18165 1 1550 . 3 3 12 12 HIS HA H 1 4.402 0.020 . 1 . . . . 173 HIS HA . 18165 1 1551 . 3 3 12 12 HIS HB2 H 1 3.197 0.020 . 2 . . . . 173 HIS HB2 . 18165 1 1552 . 3 3 12 12 HIS HB3 H 1 3.197 0.020 . 2 . . . . 173 HIS HB3 . 18165 1 1553 . 3 3 12 12 HIS HD2 H 1 6.315 0.020 . 1 . . . . 173 HIS HD2 . 18165 1 1554 . 3 3 12 12 HIS HE1 H 1 7.929 0.020 . 1 . . . . 173 HIS HE1 . 18165 1 1555 . 3 3 12 12 HIS CA C 13 61.148 0.400 . 1 . . . . 173 HIS CA . 18165 1 1556 . 3 3 12 12 HIS CB C 13 32.698 0.400 . 1 . . . . 173 HIS CB . 18165 1 1557 . 3 3 12 12 HIS CD2 C 13 118.425 0.400 . 1 . . . . 173 HIS CD2 . 18165 1 1558 . 3 3 12 12 HIS CE1 C 13 140.149 0.400 . 1 . . . . 173 HIS CE1 . 18165 1 1559 . 3 3 12 12 HIS N N 15 120.971 0.400 . 1 . . . . 173 HIS N . 18165 1 1560 . 3 3 13 13 LEU H H 1 8.725 0.020 . 1 . . . . 174 LEU H . 18165 1 1561 . 3 3 13 13 LEU HA H 1 3.778 0.020 . 1 . . . . 174 LEU HA . 18165 1 1562 . 3 3 13 13 LEU HB2 H 1 1.889 0.020 . 2 . . . . 174 LEU HB2 . 18165 1 1563 . 3 3 13 13 LEU HB3 H 1 1.578 0.020 . 2 . . . . 174 LEU HB3 . 18165 1 1564 . 3 3 13 13 LEU HG H 1 1.861 0.020 . 1 . . . . 174 LEU HG . 18165 1 1565 . 3 3 13 13 LEU HD11 H 1 0.671 0.020 . 2 . . . . 174 LEU HD1 . 18165 1 1566 . 3 3 13 13 LEU HD12 H 1 0.671 0.020 . 2 . . . . 174 LEU HD1 . 18165 1 1567 . 3 3 13 13 LEU HD13 H 1 0.671 0.020 . 2 . . . . 174 LEU HD1 . 18165 1 1568 . 3 3 13 13 LEU HD21 H 1 0.647 0.020 . 2 . . . . 174 LEU HD2 . 18165 1 1569 . 3 3 13 13 LEU HD22 H 1 0.647 0.020 . 2 . . . . 174 LEU HD2 . 18165 1 1570 . 3 3 13 13 LEU HD23 H 1 0.647 0.020 . 2 . . . . 174 LEU HD2 . 18165 1 1571 . 3 3 13 13 LEU CA C 13 59.818 0.400 . 1 . . . . 174 LEU CA . 18165 1 1572 . 3 3 13 13 LEU CB C 13 40.863 0.400 . 1 . . . . 174 LEU CB . 18165 1 1573 . 3 3 13 13 LEU CG C 13 27.444 0.400 . 1 . . . . 174 LEU CG . 18165 1 1574 . 3 3 13 13 LEU CD1 C 13 26.568 0.400 . 2 . . . . 174 LEU CD1 . 18165 1 1575 . 3 3 13 13 LEU CD2 C 13 23.037 0.400 . 2 . . . . 174 LEU CD2 . 18165 1 1576 . 3 3 13 13 LEU N N 15 118.119 0.400 . 1 . . . . 174 LEU N . 18165 1 1577 . 3 3 14 14 ALA H H 1 8.067 0.020 . 1 . . . . 175 ALA H . 18165 1 1578 . 3 3 14 14 ALA HA H 1 4.127 0.020 . 1 . . . . 175 ALA HA . 18165 1 1579 . 3 3 14 14 ALA HB1 H 1 1.562 0.020 . 1 . . . . 175 ALA HB . 18165 1 1580 . 3 3 14 14 ALA HB2 H 1 1.562 0.020 . 1 . . . . 175 ALA HB . 18165 1 1581 . 3 3 14 14 ALA HB3 H 1 1.562 0.020 . 1 . . . . 175 ALA HB . 18165 1 1582 . 3 3 14 14 ALA CA C 13 56.499 0.400 . 1 . . . . 175 ALA CA . 18165 1 1583 . 3 3 14 14 ALA CB C 13 18.607 0.400 . 1 . . . . 175 ALA CB . 18165 1 1584 . 3 3 14 14 ALA N N 15 122.247 0.400 . 1 . . . . 175 ALA N . 18165 1 1585 . 3 3 15 15 GLU H H 1 8.292 0.020 . 1 . . . . 176 GLU H . 18165 1 1586 . 3 3 15 15 GLU HA H 1 3.992 0.020 . 1 . . . . 176 GLU HA . 18165 1 1587 . 3 3 15 15 GLU HB2 H 1 2.151 0.020 . 2 . . . . 176 GLU HB2 . 18165 1 1588 . 3 3 15 15 GLU HB3 H 1 1.897 0.020 . 2 . . . . 176 GLU HB3 . 18165 1 1589 . 3 3 15 15 GLU HG2 H 1 2.436 0.020 . 2 . . . . 176 GLU HG2 . 18165 1 1590 . 3 3 15 15 GLU HG3 H 1 2.161 0.020 . 2 . . . . 176 GLU HG3 . 18165 1 1591 . 3 3 15 15 GLU CA C 13 59.621 0.400 . 1 . . . . 176 GLU CA . 18165 1 1592 . 3 3 15 15 GLU CB C 13 30.085 0.400 . 1 . . . . 176 GLU CB . 18165 1 1593 . 3 3 15 15 GLU CG C 13 37.461 0.400 . 1 . . . . 176 GLU CG . 18165 1 1594 . 3 3 15 15 GLU N N 15 119.414 0.400 . 1 . . . . 176 GLU N . 18165 1 1595 . 3 3 16 16 HIS H H 1 7.550 0.020 . 1 . . . . 177 HIS H . 18165 1 1596 . 3 3 16 16 HIS HA H 1 4.443 0.020 . 1 . . . . 177 HIS HA . 18165 1 1597 . 3 3 16 16 HIS HB2 H 1 3.550 0.020 . 2 . . . . 177 HIS HB2 . 18165 1 1598 . 3 3 16 16 HIS HB3 H 1 2.680 0.020 . 2 . . . . 177 HIS HB3 . 18165 1 1599 . 3 3 16 16 HIS HD2 H 1 6.829 0.020 . 1 . . . . 177 HIS HD2 . 18165 1 1600 . 3 3 16 16 HIS HE1 H 1 7.561 0.020 . 1 . . . . 177 HIS HE1 . 18165 1 1601 . 3 3 16 16 HIS CA C 13 57.949 0.400 . 1 . . . . 177 HIS CA . 18165 1 1602 . 3 3 16 16 HIS CB C 13 31.187 0.400 . 1 . . . . 177 HIS CB . 18165 1 1603 . 3 3 16 16 HIS CD2 C 13 124.582 0.400 . 1 . . . . 177 HIS CD2 . 18165 1 1604 . 3 3 16 16 HIS CE1 C 13 139.008 0.400 . 1 . . . . 177 HIS CE1 . 18165 1 1605 . 3 3 16 16 HIS N N 15 115.209 0.400 . 1 . . . . 177 HIS N . 18165 1 1606 . 3 3 17 17 GLY H H 1 7.894 0.020 . 1 . . . . 178 GLY H . 18165 1 1607 . 3 3 17 17 GLY HA2 H 1 4.028 0.020 . 2 . . . . 178 GLY HA2 . 18165 1 1608 . 3 3 17 17 GLY HA3 H 1 3.804 0.020 . 2 . . . . 178 GLY HA3 . 18165 1 1609 . 3 3 17 17 GLY CA C 13 47.359 0.400 . 1 . . . . 178 GLY CA . 18165 1 1610 . 3 3 17 17 GLY N N 15 107.707 0.400 . 1 . . . . 178 GLY N . 18165 1 1611 . 3 3 18 18 ILE H H 1 8.133 0.020 . 1 . . . . 179 ILE H . 18165 1 1612 . 3 3 18 18 ILE HA H 1 4.182 0.020 . 1 . . . . 179 ILE HA . 18165 1 1613 . 3 3 18 18 ILE HB H 1 1.567 0.020 . 1 . . . . 179 ILE HB . 18165 1 1614 . 3 3 18 18 ILE HG12 H 1 1.449 0.020 . 2 . . . . 179 ILE HG12 . 18165 1 1615 . 3 3 18 18 ILE HG13 H 1 1.098 0.020 . 2 . . . . 179 ILE HG13 . 18165 1 1616 . 3 3 18 18 ILE HG21 H 1 0.703 0.020 . 1 . . . . 179 ILE HG2 . 18165 1 1617 . 3 3 18 18 ILE HG22 H 1 0.703 0.020 . 1 . . . . 179 ILE HG2 . 18165 1 1618 . 3 3 18 18 ILE HG23 H 1 0.703 0.020 . 1 . . . . 179 ILE HG2 . 18165 1 1619 . 3 3 18 18 ILE HD11 H 1 0.881 0.020 . 1 . . . . 179 ILE HD1 . 18165 1 1620 . 3 3 18 18 ILE HD12 H 1 0.881 0.020 . 1 . . . . 179 ILE HD1 . 18165 1 1621 . 3 3 18 18 ILE HD13 H 1 0.881 0.020 . 1 . . . . 179 ILE HD1 . 18165 1 1622 . 3 3 18 18 ILE CA C 13 60.903 0.400 . 1 . . . . 179 ILE CA . 18165 1 1623 . 3 3 18 18 ILE CB C 13 40.317 0.400 . 1 . . . . 179 ILE CB . 18165 1 1624 . 3 3 18 18 ILE CG1 C 13 28.128 0.400 . 1 . . . . 179 ILE CG1 . 18165 1 1625 . 3 3 18 18 ILE CG2 C 13 18.814 0.400 . 1 . . . . 179 ILE CG2 . 18165 1 1626 . 3 3 18 18 ILE CD1 C 13 15.141 0.400 . 1 . . . . 179 ILE CD1 . 18165 1 1627 . 3 3 18 18 ILE N N 15 121.021 0.400 . 1 . . . . 179 ILE N . 18165 1 1628 . 3 3 19 19 GLN H H 1 8.386 0.020 . 1 . . . . 180 GLN H . 18165 1 1629 . 3 3 19 19 GLN HA H 1 4.776 0.020 . 1 . . . . 180 GLN HA . 18165 1 1630 . 3 3 19 19 GLN HB2 H 1 1.996 0.020 . 2 . . . . 180 GLN HB2 . 18165 1 1631 . 3 3 19 19 GLN HB3 H 1 1.809 0.020 . 2 . . . . 180 GLN HB3 . 18165 1 1632 . 3 3 19 19 GLN HG2 H 1 2.314 0.020 . 2 . . . . 180 GLN HG2 . 18165 1 1633 . 3 3 19 19 GLN HG3 H 1 2.314 0.020 . 2 . . . . 180 GLN HG3 . 18165 1 1634 . 3 3 19 19 GLN CA C 13 53.112 0.400 . 1 . . . . 180 GLN CA . 18165 1 1635 . 3 3 19 19 GLN CB C 13 30.731 0.400 . 1 . . . . 180 GLN CB . 18165 1 1636 . 3 3 19 19 GLN CG C 13 34.503 0.400 . 1 . . . . 180 GLN CG . 18165 1 1637 . 3 3 19 19 GLN N N 15 124.771 0.400 . 1 . . . . 180 GLN N . 18165 1 1638 . 3 3 20 20 PRO HA H 1 4.208 0.020 . 1 . . . . 181 PRO HA . 18165 1 1639 . 3 3 20 20 PRO HB2 H 1 2.276 0.020 . 2 . . . . 181 PRO HB2 . 18165 1 1640 . 3 3 20 20 PRO HB3 H 1 2.031 0.020 . 2 . . . . 181 PRO HB3 . 18165 1 1641 . 3 3 20 20 PRO HG2 H 1 2.217 0.020 . 2 . . . . 181 PRO HG2 . 18165 1 1642 . 3 3 20 20 PRO HG3 H 1 1.765 0.020 . 2 . . . . 181 PRO HG3 . 18165 1 1643 . 3 3 20 20 PRO HD2 H 1 3.903 0.020 . 2 . . . . 181 PRO HD2 . 18165 1 1644 . 3 3 20 20 PRO HD3 H 1 3.660 0.020 . 2 . . . . 181 PRO HD3 . 18165 1 1645 . 3 3 20 20 PRO CA C 13 64.114 0.400 . 1 . . . . 181 PRO CA . 18165 1 1646 . 3 3 20 20 PRO CB C 13 33.537 0.400 . 1 . . . . 181 PRO CB . 18165 1 1647 . 3 3 20 20 PRO CG C 13 29.346 0.400 . 1 . . . . 181 PRO CG . 18165 1 1648 . 3 3 20 20 PRO CD C 13 51.623 0.400 . 1 . . . . 181 PRO CD . 18165 1 1649 . 3 3 21 21 ALA H H 1 8.397 0.020 . 1 . . . . 182 ALA H . 18165 1 1650 . 3 3 21 21 ALA HA H 1 4.151 0.020 . 1 . . . . 182 ALA HA . 18165 1 1651 . 3 3 21 21 ALA HB1 H 1 1.427 0.020 . 1 . . . . 182 ALA HB . 18165 1 1652 . 3 3 21 21 ALA HB2 H 1 1.427 0.020 . 1 . . . . 182 ALA HB . 18165 1 1653 . 3 3 21 21 ALA HB3 H 1 1.427 0.020 . 1 . . . . 182 ALA HB . 18165 1 1654 . 3 3 21 21 ALA CA C 13 55.163 0.400 . 1 . . . . 182 ALA CA . 18165 1 1655 . 3 3 21 21 ALA CB C 13 20.261 0.400 . 1 . . . . 182 ALA CB . 18165 1 1656 . 3 3 21 21 ALA N N 15 125.684 0.400 . 1 . . . . 182 ALA N . 18165 1 1657 . 3 3 22 22 ARG H H 1 8.596 0.020 . 1 . . . . 183 ARG H . 18165 1 1658 . 3 3 22 22 ARG HA H 1 4.354 0.020 . 1 . . . . 183 ARG HA . 18165 1 1659 . 3 3 22 22 ARG HB2 H 1 1.772 0.020 . 2 . . . . 183 ARG HB2 . 18165 1 1660 . 3 3 22 22 ARG HB3 H 1 1.677 0.020 . 2 . . . . 183 ARG HB3 . 18165 1 1661 . 3 3 22 22 ARG HG2 H 1 1.536 0.020 . 2 . . . . 183 ARG HG2 . 18165 1 1662 . 3 3 22 22 ARG HG3 H 1 1.536 0.020 . 2 . . . . 183 ARG HG3 . 18165 1 1663 . 3 3 22 22 ARG HD2 H 1 3.138 0.020 . 2 . . . . 183 ARG HD2 . 18165 1 1664 . 3 3 22 22 ARG HD3 H 1 3.138 0.020 . 2 . . . . 183 ARG HD3 . 18165 1 1665 . 3 3 22 22 ARG CA C 13 56.833 0.400 . 1 . . . . 183 ARG CA . 18165 1 1666 . 3 3 22 22 ARG CB C 13 32.366 0.400 . 1 . . . . 183 ARG CB . 18165 1 1667 . 3 3 22 22 ARG CG C 13 28.285 0.400 . 1 . . . . 183 ARG CG . 18165 1 1668 . 3 3 22 22 ARG CD C 13 44.538 0.400 . 1 . . . . 183 ARG CD . 18165 1 1669 . 3 3 22 22 ARG N N 15 116.254 0.400 . 1 . . . . 183 ARG N . 18165 1 1670 . 3 3 23 23 ASN H H 1 8.293 0.020 . 1 . . . . 184 ASN H . 18165 1 1671 . 3 3 23 23 ASN HA H 1 4.641 0.020 . 1 . . . . 184 ASN HA . 18165 1 1672 . 3 3 23 23 ASN HB2 H 1 2.885 0.020 . 2 . . . . 184 ASN HB2 . 18165 1 1673 . 3 3 23 23 ASN HB3 H 1 2.736 0.020 . 2 . . . . 184 ASN HB3 . 18165 1 1674 . 3 3 23 23 ASN CA C 13 54.020 0.400 . 1 . . . . 184 ASN CA . 18165 1 1675 . 3 3 23 23 ASN CB C 13 39.452 0.400 . 1 . . . . 184 ASN CB . 18165 1 1676 . 3 3 23 23 ASN N N 15 118.649 0.400 . 1 . . . . 184 ASN N . 18165 1 1677 . 3 3 24 24 MET H H 1 8.334 0.020 . 1 . . . . 185 MET H . 18165 1 1678 . 3 3 24 24 MET HA H 1 4.450 0.020 . 1 . . . . 185 MET HA . 18165 1 1679 . 3 3 24 24 MET HB2 H 1 2.145 0.020 . 2 . . . . 185 MET HB2 . 18165 1 1680 . 3 3 24 24 MET HB3 H 1 1.955 0.020 . 2 . . . . 185 MET HB3 . 18165 1 1681 . 3 3 24 24 MET HG2 H 1 2.597 0.020 . 2 . . . . 185 MET HG2 . 18165 1 1682 . 3 3 24 24 MET HG3 H 1 2.451 0.020 . 2 . . . . 185 MET HG3 . 18165 1 1683 . 3 3 24 24 MET HE1 H 1 2.049 0.020 . . . . . . 185 MET HE . 18165 1 1684 . 3 3 24 24 MET HE2 H 1 2.049 0.020 . . . . . . 185 MET HE . 18165 1 1685 . 3 3 24 24 MET HE3 H 1 2.049 0.020 . . . . . . 185 MET HE . 18165 1 1686 . 3 3 24 24 MET CA C 13 56.431 0.400 . 1 . . . . 185 MET CA . 18165 1 1687 . 3 3 24 24 MET CB C 13 33.100 0.400 . 1 . . . . 185 MET CB . 18165 1 1688 . 3 3 24 24 MET CG C 13 32.875 0.400 . 1 . . . . 185 MET CG . 18165 1 1689 . 3 3 24 24 MET CE C 13 17.747 0.400 . 1 . . . . 185 MET CE . 18165 1 1690 . 3 3 24 24 MET N N 15 121.506 0.400 . 1 . . . . 185 MET N . 18165 1 1691 . 3 3 25 25 ALA H H 1 8.221 0.020 . 1 . . . . 186 ALA H . 18165 1 1692 . 3 3 25 25 ALA HA H 1 4.261 0.020 . 1 . . . . 186 ALA HA . 18165 1 1693 . 3 3 25 25 ALA HB1 H 1 1.387 0.020 . 1 . . . . 186 ALA HB . 18165 1 1694 . 3 3 25 25 ALA HB2 H 1 1.387 0.020 . 1 . . . . 186 ALA HB . 18165 1 1695 . 3 3 25 25 ALA HB3 H 1 1.387 0.020 . 1 . . . . 186 ALA HB . 18165 1 1696 . 3 3 25 25 ALA CA C 13 53.914 0.400 . 1 . . . . 186 ALA CA . 18165 1 1697 . 3 3 25 25 ALA CB C 13 20.087 0.400 . 1 . . . . 186 ALA CB . 18165 1 1698 . 3 3 25 25 ALA N N 15 123.502 0.400 . 1 . . . . 186 ALA N . 18165 1 1699 . 3 3 26 26 GLU H H 1 8.163 0.020 . 1 . . . . 187 GLU H . 18165 1 1700 . 3 3 26 26 GLU HA H 1 4.210 0.020 . 1 . . . . 187 GLU HA . 18165 1 1701 . 3 3 26 26 GLU HB2 H 1 1.957 0.020 . 2 . . . . 187 GLU HB2 . 18165 1 1702 . 3 3 26 26 GLU HB3 H 1 1.862 0.020 . 2 . . . . 187 GLU HB3 . 18165 1 1703 . 3 3 26 26 GLU HG2 H 1 2.173 0.020 . 2 . . . . 187 GLU HG2 . 18165 1 1704 . 3 3 26 26 GLU HG3 H 1 2.173 0.020 . 2 . . . . 187 GLU HG3 . 18165 1 1705 . 3 3 26 26 GLU CA C 13 57.446 0.400 . 1 . . . . 187 GLU CA . 18165 1 1706 . 3 3 26 26 GLU CB C 13 31.228 0.400 . 1 . . . . 187 GLU CB . 18165 1 1707 . 3 3 26 26 GLU CG C 13 37.297 0.400 . 1 . . . . 187 GLU CG . 18165 1 1708 . 3 3 26 26 GLU N N 15 118.077 0.400 . 1 . . . . 187 GLU N . 18165 1 1709 . 3 3 27 27 HIS H H 1 8.141 0.020 . 1 . . . . 188 HIS H . 18165 1 1710 . 3 3 27 27 HIS HA H 1 4.537 0.020 . 1 . . . . 188 HIS HA . 18165 1 1711 . 3 3 27 27 HIS HB2 H 1 3.054 0.020 . 2 . . . . 188 HIS HB2 . 18165 1 1712 . 3 3 27 27 HIS HB3 H 1 3.012 0.020 . 2 . . . . 188 HIS HB3 . 18165 1 1713 . 3 3 27 27 HIS HD2 H 1 6.910 0.020 . 1 . . . . 188 HIS HD2 . 18165 1 1714 . 3 3 27 27 HIS HE1 H 1 7.754 0.020 . 1 . . . . 188 HIS HE1 . 18165 1 1715 . 3 3 27 27 HIS CA C 13 57.110 0.400 . 1 . . . . 188 HIS CA . 18165 1 1716 . 3 3 27 27 HIS CB C 13 31.894 0.400 . 1 . . . . 188 HIS CB . 18165 1 1717 . 3 3 27 27 HIS CD2 C 13 120.899 0.400 . 1 . . . . 188 HIS CD2 . 18165 1 1718 . 3 3 27 27 HIS CE1 C 13 139.444 0.400 . 1 . . . . 188 HIS CE1 . 18165 1 1719 . 3 3 27 27 HIS N N 15 120.228 0.400 . 1 . . . . 188 HIS N . 18165 1 1720 . 3 3 28 28 ILE H H 1 7.928 0.020 . 1 . . . . 189 ILE H . 18165 1 1721 . 3 3 28 28 ILE HA H 1 4.076 0.020 . 1 . . . . 189 ILE HA . 18165 1 1722 . 3 3 28 28 ILE HB H 1 1.455 0.020 . 1 . . . . 189 ILE HB . 18165 1 1723 . 3 3 28 28 ILE HG12 H 1 1.305 0.020 . 2 . . . . 189 ILE HG12 . 18165 1 1724 . 3 3 28 28 ILE HG13 H 1 0.731 0.020 . 2 . . . . 189 ILE HG13 . 18165 1 1725 . 3 3 28 28 ILE HG21 H 1 0.127 0.020 . 1 . . . . 189 ILE HG2 . 18165 1 1726 . 3 3 28 28 ILE HG22 H 1 0.127 0.020 . 1 . . . . 189 ILE HG2 . 18165 1 1727 . 3 3 28 28 ILE HG23 H 1 0.127 0.020 . 1 . . . . 189 ILE HG2 . 18165 1 1728 . 3 3 28 28 ILE HD11 H 1 0.506 0.020 . 1 . . . . 189 ILE HD1 . 18165 1 1729 . 3 3 28 28 ILE HD12 H 1 0.506 0.020 . 1 . . . . 189 ILE HD1 . 18165 1 1730 . 3 3 28 28 ILE HD13 H 1 0.506 0.020 . 1 . . . . 189 ILE HD1 . 18165 1 1731 . 3 3 28 28 ILE CA C 13 59.555 0.400 . 1 . . . . 189 ILE CA . 18165 1 1732 . 3 3 28 28 ILE CB C 13 39.507 0.400 . 1 . . . . 189 ILE CB . 18165 1 1733 . 3 3 28 28 ILE CG1 C 13 27.945 0.400 . 1 . . . . 189 ILE CG1 . 18165 1 1734 . 3 3 28 28 ILE CG2 C 13 16.061 0.400 . 1 . . . . 189 ILE CG2 . 18165 1 1735 . 3 3 28 28 ILE CD1 C 13 13.770 0.400 . 1 . . . . 189 ILE CD1 . 18165 1 1736 . 3 3 28 28 ILE N N 15 125.257 0.400 . 1 . . . . 189 ILE N . 18165 1 1737 . 3 3 29 29 PRO HA H 1 4.707 0.020 . 1 . . . . 190 PRO HA . 18165 1 1738 . 3 3 29 29 PRO HB2 H 1 2.505 0.020 . 2 . . . . 190 PRO HB2 . 18165 1 1739 . 3 3 29 29 PRO HB3 H 1 2.032 0.020 . 2 . . . . 190 PRO HB3 . 18165 1 1740 . 3 3 29 29 PRO HG2 H 1 2.317 0.020 . 2 . . . . 190 PRO HG2 . 18165 1 1741 . 3 3 29 29 PRO HG3 H 1 2.147 0.020 . 2 . . . . 190 PRO HG3 . 18165 1 1742 . 3 3 29 29 PRO HD2 H 1 3.817 0.020 . 2 . . . . 190 PRO HD2 . 18165 1 1743 . 3 3 29 29 PRO HD3 H 1 3.505 0.020 . 2 . . . . 190 PRO HD3 . 18165 1 1744 . 3 3 29 29 PRO CB C 13 31.856 0.400 . 1 . . . . 190 PRO CB . 18165 1 1745 . 3 3 29 29 PRO CG C 13 28.171 0.400 . 1 . . . . 190 PRO CG . 18165 1 1746 . 3 3 29 29 PRO CD C 13 51.662 0.400 . 1 . . . . 190 PRO CD . 18165 1 1747 . 3 3 30 30 PRO HA H 1 4.195 0.020 . 1 . . . . 191 PRO HA . 18165 1 1748 . 3 3 30 30 PRO HB2 H 1 2.122 0.020 . 2 . . . . 191 PRO HB2 . 18165 1 1749 . 3 3 30 30 PRO HB3 H 1 1.624 0.020 . 2 . . . . 191 PRO HB3 . 18165 1 1750 . 3 3 30 30 PRO HG2 H 1 1.974 0.020 . 2 . . . . 191 PRO HG2 . 18165 1 1751 . 3 3 30 30 PRO HG3 H 1 1.931 0.020 . 2 . . . . 191 PRO HG3 . 18165 1 1752 . 3 3 30 30 PRO HD2 H 1 3.783 0.020 . 2 . . . . 191 PRO HD2 . 18165 1 1753 . 3 3 30 30 PRO HD3 H 1 3.564 0.020 . 2 . . . . 191 PRO HD3 . 18165 1 1754 . 3 3 30 30 PRO CA C 13 63.641 0.400 . 1 . . . . 191 PRO CA . 18165 1 1755 . 3 3 30 30 PRO CB C 13 32.738 0.400 . 1 . . . . 191 PRO CB . 18165 1 1756 . 3 3 30 30 PRO CG C 13 28.543 0.400 . 1 . . . . 191 PRO CG . 18165 1 1757 . 3 3 30 30 PRO CD C 13 51.213 0.400 . 1 . . . . 191 PRO CD . 18165 1 1758 . 3 3 31 31 ALA H H 1 7.516 0.020 . 1 . . . . 192 ALA H . 18165 1 1759 . 3 3 31 31 ALA HA H 1 1.637 0.020 . 1 . . . . 192 ALA HA . 18165 1 1760 . 3 3 31 31 ALA HB1 H 1 -0.223 0.020 . 1 . . . . 192 ALA HB . 18165 1 1761 . 3 3 31 31 ALA HB2 H 1 -0.223 0.020 . 1 . . . . 192 ALA HB . 18165 1 1762 . 3 3 31 31 ALA HB3 H 1 -0.223 0.020 . 1 . . . . 192 ALA HB . 18165 1 1763 . 3 3 31 31 ALA CA C 13 50.201 0.400 . 1 . . . . 192 ALA CA . 18165 1 1764 . 3 3 31 31 ALA CB C 13 15.838 0.400 . 1 . . . . 192 ALA CB . 18165 1 1765 . 3 3 31 31 ALA N N 15 123.244 0.400 . 1 . . . . 192 ALA N . 18165 1 1766 . 3 3 32 32 PRO HA H 1 3.088 0.020 . 1 . . . . 193 PRO HA . 18165 1 1767 . 3 3 32 32 PRO HB2 H 1 -0.618 0.020 . 2 . . . . 193 PRO HB2 . 18165 1 1768 . 3 3 32 32 PRO HB3 H 1 -0.711 0.020 . 2 . . . . 193 PRO HB3 . 18165 1 1769 . 3 3 32 32 PRO HG2 H 1 0.282 0.020 . 2 . . . . 193 PRO HG2 . 18165 1 1770 . 3 3 32 32 PRO HG3 H 1 -1.147 0.020 . 2 . . . . 193 PRO HG3 . 18165 1 1771 . 3 3 32 32 PRO HD2 H 1 1.959 0.020 . 2 . . . . 193 PRO HD2 . 18165 1 1772 . 3 3 32 32 PRO HD3 H 1 0.935 0.020 . 2 . . . . 193 PRO HD3 . 18165 1 1773 . 3 3 32 32 PRO CA C 13 63.636 0.400 . 1 . . . . 193 PRO CA . 18165 1 1774 . 3 3 32 32 PRO CB C 13 31.138 0.400 . 1 . . . . 193 PRO CB . 18165 1 1775 . 3 3 32 32 PRO CG C 13 27.630 0.400 . 1 . . . . 193 PRO CG . 18165 1 1776 . 3 3 32 32 PRO CD C 13 49.544 0.400 . 1 . . . . 193 PRO CD . 18165 1 1777 . 3 3 33 33 ASN H H 1 7.529 0.020 . 1 . . . . 194 ASN H . 18165 1 1778 . 3 3 33 33 ASN HA H 1 4.589 0.020 . 1 . . . . 194 ASN HA . 18165 1 1779 . 3 3 33 33 ASN HB2 H 1 2.962 0.020 . 2 . . . . 194 ASN HB2 . 18165 1 1780 . 3 3 33 33 ASN HB3 H 1 2.667 0.020 . 2 . . . . 194 ASN HB3 . 18165 1 1781 . 3 3 33 33 ASN CA C 13 52.811 0.400 . 1 . . . . 194 ASN CA . 18165 1 1782 . 3 3 33 33 ASN CB C 13 38.186 0.400 . 1 . . . . 194 ASN CB . 18165 1 1783 . 3 3 33 33 ASN N N 15 119.109 0.400 . 1 . . . . 194 ASN N . 18165 1 1784 . 3 3 34 34 TRP H H 1 7.015 0.020 . 1 . . . . 195 TRP H . 18165 1 1785 . 3 3 34 34 TRP HA H 1 5.174 0.020 . 1 . . . . 195 TRP HA . 18165 1 1786 . 3 3 34 34 TRP HB2 H 1 3.392 0.020 . 2 . . . . 195 TRP HB2 . 18165 1 1787 . 3 3 34 34 TRP HB3 H 1 3.320 0.020 . 2 . . . . 195 TRP HB3 . 18165 1 1788 . 3 3 34 34 TRP HD1 H 1 7.457 0.020 . 1 . . . . 195 TRP HD1 . 18165 1 1789 . 3 3 34 34 TRP HE1 H 1 10.796 0.020 . 1 . . . . 195 TRP HE1 . 18165 1 1790 . 3 3 34 34 TRP HE3 H 1 7.666 0.020 . 1 . . . . 195 TRP HE3 . 18165 1 1791 . 3 3 34 34 TRP HZ2 H 1 7.381 0.020 . 1 . . . . 195 TRP HZ2 . 18165 1 1792 . 3 3 34 34 TRP HZ3 H 1 7.075 0.020 . 1 . . . . 195 TRP HZ3 . 18165 1 1793 . 3 3 34 34 TRP HH2 H 1 6.966 0.020 . 1 . . . . 195 TRP HH2 . 18165 1 1794 . 3 3 34 34 TRP CA C 13 55.996 0.400 . 1 . . . . 195 TRP CA . 18165 1 1795 . 3 3 34 34 TRP CB C 13 29.477 0.400 . 1 . . . . 195 TRP CB . 18165 1 1796 . 3 3 34 34 TRP CD1 C 13 130.003 0.400 . 1 . . . . 195 TRP CD1 . 18165 1 1797 . 3 3 34 34 TRP CE3 C 13 122.738 0.400 . 1 . . . . 195 TRP CE3 . 18165 1 1798 . 3 3 34 34 TRP CZ2 C 13 115.308 0.400 . 1 . . . . 195 TRP CZ2 . 18165 1 1799 . 3 3 34 34 TRP CZ3 C 13 122.740 0.400 . 1 . . . . 195 TRP CZ3 . 18165 1 1800 . 3 3 34 34 TRP CH2 C 13 124.760 0.400 . 1 . . . . 195 TRP CH2 . 18165 1 1801 . 3 3 34 34 TRP N N 15 118.416 0.400 . 1 . . . . 195 TRP N . 18165 1 1802 . 3 3 34 34 TRP NE1 N 15 130.175 0.400 . 1 . . . . 195 TRP NE1 . 18165 1 1803 . 3 3 35 35 PRO HA H 1 4.506 0.020 . 1 . . . . 196 PRO HA . 18165 1 1804 . 3 3 35 35 PRO HB2 H 1 2.296 0.020 . 2 . . . . 196 PRO HB2 . 18165 1 1805 . 3 3 35 35 PRO HB3 H 1 1.828 0.020 . 2 . . . . 196 PRO HB3 . 18165 1 1806 . 3 3 35 35 PRO HG2 H 1 2.160 0.020 . 2 . . . . 196 PRO HG2 . 18165 1 1807 . 3 3 35 35 PRO HG3 H 1 2.025 0.020 . 2 . . . . 196 PRO HG3 . 18165 1 1808 . 3 3 35 35 PRO HD2 H 1 3.973 0.020 . 2 . . . . 196 PRO HD2 . 18165 1 1809 . 3 3 35 35 PRO HD3 H 1 3.871 0.020 . 2 . . . . 196 PRO HD3 . 18165 1 1810 . 3 3 35 35 PRO CA C 13 63.598 0.400 . 1 . . . . 196 PRO CA . 18165 1 1811 . 3 3 35 35 PRO CB C 13 32.987 0.400 . 1 . . . . 196 PRO CB . 18165 1 1812 . 3 3 35 35 PRO CG C 13 28.906 0.400 . 1 . . . . 196 PRO CG . 18165 1 1813 . 3 3 35 35 PRO CD C 13 51.806 0.400 . 1 . . . . 196 PRO CD . 18165 1 1814 . 3 3 36 36 ALA H H 1 8.076 0.020 . 1 . . . . 197 ALA H . 18165 1 1815 . 3 3 36 36 ALA HA H 1 3.603 0.020 . 1 . . . . 197 ALA HA . 18165 1 1816 . 3 3 36 36 ALA HB1 H 1 -0.027 0.020 . 1 . . . . 197 ALA HB . 18165 1 1817 . 3 3 36 36 ALA HB2 H 1 -0.027 0.020 . 1 . . . . 197 ALA HB . 18165 1 1818 . 3 3 36 36 ALA HB3 H 1 -0.027 0.020 . 1 . . . . 197 ALA HB . 18165 1 1819 . 3 3 36 36 ALA CA C 13 51.515 0.400 . 1 . . . . 197 ALA CA . 18165 1 1820 . 3 3 36 36 ALA CB C 13 16.786 0.400 . 1 . . . . 197 ALA CB . 18165 1 1821 . 3 3 36 36 ALA N N 15 125.998 0.400 . 1 . . . . 197 ALA N . 18165 1 1822 . 3 3 37 37 PRO HA H 1 4.567 0.020 . 1 . . . . 198 PRO HA . 18165 1 1823 . 3 3 37 37 PRO HB2 H 1 2.428 0.020 . 2 . . . . 198 PRO HB2 . 18165 1 1824 . 3 3 37 37 PRO HB3 H 1 2.167 0.020 . 2 . . . . 198 PRO HB3 . 18165 1 1825 . 3 3 37 37 PRO HG2 H 1 2.222 0.020 . 2 . . . . 198 PRO HG2 . 18165 1 1826 . 3 3 37 37 PRO HG3 H 1 1.782 0.020 . 2 . . . . 198 PRO HG3 . 18165 1 1827 . 3 3 37 37 PRO HD2 H 1 3.766 0.020 . 2 . . . . 198 PRO HD2 . 18165 1 1828 . 3 3 37 37 PRO HD3 H 1 2.731 0.020 . 2 . . . . 198 PRO HD3 . 18165 1 1829 . 3 3 37 37 PRO CA C 13 63.183 0.400 . 1 . . . . 198 PRO CA . 18165 1 1830 . 3 3 37 37 PRO CB C 13 33.640 0.400 . 1 . . . . 198 PRO CB . 18165 1 1831 . 3 3 37 37 PRO CG C 13 27.909 0.400 . 1 . . . . 198 PRO CG . 18165 1 1832 . 3 3 37 37 PRO CD C 13 52.162 0.400 . 1 . . . . 198 PRO CD . 18165 1 1833 . 3 3 38 38 THR H H 1 7.967 0.020 . 1 . . . . 199 THR H . 18165 1 1834 . 3 3 38 38 THR HA H 1 4.814 0.020 . 1 . . . . 199 THR HA . 18165 1 1835 . 3 3 38 38 THR HB H 1 4.217 0.020 . 1 . . . . 199 THR HB . 18165 1 1836 . 3 3 38 38 THR HG21 H 1 1.248 0.020 . . . . . . 199 THR HG2 . 18165 1 1837 . 3 3 38 38 THR HG22 H 1 1.248 0.020 . . . . . . 199 THR HG2 . 18165 1 1838 . 3 3 38 38 THR HG23 H 1 1.248 0.020 . . . . . . 199 THR HG2 . 18165 1 1839 . 3 3 38 38 THR CA C 13 60.042 0.400 . 1 . . . . 199 THR CA . 18165 1 1840 . 3 3 38 38 THR CB C 13 70.262 0.400 . 1 . . . . 199 THR CB . 18165 1 1841 . 3 3 38 38 THR CG2 C 13 22.777 0.400 . 1 . . . . 199 THR CG2 . 18165 1 1842 . 3 3 38 38 THR N N 15 110.654 0.400 . 1 . . . . 199 THR N . 18165 1 1843 . 3 3 39 39 PRO HA H 1 3.978 0.020 . 1 . . . . 200 PRO HA . 18165 1 1844 . 3 3 39 39 PRO HB2 H 1 1.137 0.020 . 2 . . . . 200 PRO HB2 . 18165 1 1845 . 3 3 39 39 PRO HB3 H 1 1.137 0.020 . 2 . . . . 200 PRO HB3 . 18165 1 1846 . 3 3 39 39 PRO HG2 H 1 1.828 0.020 . 2 . . . . 200 PRO HG2 . 18165 1 1847 . 3 3 39 39 PRO HG3 H 1 1.492 0.020 . 2 . . . . 200 PRO HG3 . 18165 1 1848 . 3 3 39 39 PRO HD2 H 1 3.832 0.020 . 2 . . . . 200 PRO HD2 . 18165 1 1849 . 3 3 39 39 PRO HD3 H 1 3.570 0.020 . 2 . . . . 200 PRO HD3 . 18165 1 1850 . 3 3 39 39 PRO CA C 13 62.631 0.400 . 1 . . . . 200 PRO CA . 18165 1 1851 . 3 3 39 39 PRO CB C 13 31.115 0.400 . 1 . . . . 200 PRO CB . 18165 1 1852 . 3 3 39 39 PRO CG C 13 28.306 0.400 . 1 . . . . 200 PRO CG . 18165 1 1853 . 3 3 40 40 PRO HA H 1 4.345 0.020 . 1 . . . . 201 PRO HA . 18165 1 1854 . 3 3 40 40 PRO HB2 H 1 2.085 0.020 . 2 . . . . 201 PRO HB2 . 18165 1 1855 . 3 3 40 40 PRO HB3 H 1 1.779 0.020 . 2 . . . . 201 PRO HB3 . 18165 1 1856 . 3 3 40 40 PRO HG2 H 1 1.871 0.020 . 2 . . . . 201 PRO HG2 . 18165 1 1857 . 3 3 40 40 PRO HG3 H 1 1.705 0.020 . 2 . . . . 201 PRO HG3 . 18165 1 1858 . 3 3 40 40 PRO HD2 H 1 3.200 0.020 . 2 . . . . 201 PRO HD2 . 18165 1 1859 . 3 3 40 40 PRO HD3 H 1 2.340 0.020 . 2 . . . . 201 PRO HD3 . 18165 1 1860 . 3 3 40 40 PRO CA C 13 63.614 0.400 . 1 . . . . 201 PRO CA . 18165 1 1861 . 3 3 40 40 PRO CB C 13 32.287 0.400 . 1 . . . . 201 PRO CB . 18165 1 1862 . 3 3 40 40 PRO CG C 13 28.346 0.400 . 1 . . . . 201 PRO CG . 18165 1 1863 . 3 3 40 40 PRO CD C 13 50.649 0.400 . 1 . . . . 201 PRO CD . 18165 1 1864 . 3 3 41 41 VAL H H 1 7.940 0.020 . 1 . . . . 202 VAL H . 18165 1 1865 . 3 3 41 41 VAL HA H 1 4.014 0.020 . 1 . . . . 202 VAL HA . 18165 1 1866 . 3 3 41 41 VAL HB H 1 2.004 0.020 . 1 . . . . 202 VAL HB . 18165 1 1867 . 3 3 41 41 VAL HG11 H 1 0.895 0.020 . 2 . . . . 202 VAL HG1 . 18165 1 1868 . 3 3 41 41 VAL HG12 H 1 0.895 0.020 . 2 . . . . 202 VAL HG1 . 18165 1 1869 . 3 3 41 41 VAL HG13 H 1 0.895 0.020 . 2 . . . . 202 VAL HG1 . 18165 1 1870 . 3 3 41 41 VAL HG21 H 1 0.898 0.020 . 2 . . . . 202 VAL HG2 . 18165 1 1871 . 3 3 41 41 VAL HG22 H 1 0.898 0.020 . 2 . . . . 202 VAL HG2 . 18165 1 1872 . 3 3 41 41 VAL HG23 H 1 0.898 0.020 . 2 . . . . 202 VAL HG2 . 18165 1 1873 . 3 3 41 41 VAL CA C 13 63.051 0.400 . 1 . . . . 202 VAL CA . 18165 1 1874 . 3 3 41 41 VAL CB C 13 33.811 0.400 . 1 . . . . 202 VAL CB . 18165 1 1875 . 3 3 41 41 VAL CG1 C 13 22.212 0.400 . 2 . . . . 202 VAL CG1 . 18165 1 1876 . 3 3 41 41 VAL CG2 C 13 21.442 0.400 . 2 . . . . 202 VAL CG2 . 18165 1 1877 . 3 3 41 41 VAL N N 15 118.983 0.400 . 1 . . . . 202 VAL N . 18165 1 1878 . 3 3 42 42 GLN H H 1 8.482 0.020 . 1 . . . . 203 GLN H . 18165 1 1879 . 3 3 42 42 GLN HA H 1 4.385 0.020 . 1 . . . . 203 GLN HA . 18165 1 1880 . 3 3 42 42 GLN HB2 H 1 2.103 0.020 . 2 . . . . 203 GLN HB2 . 18165 1 1881 . 3 3 42 42 GLN HB3 H 1 1.989 0.020 . 2 . . . . 203 GLN HB3 . 18165 1 1882 . 3 3 42 42 GLN HG2 H 1 2.365 0.020 . 2 . . . . 203 GLN HG2 . 18165 1 1883 . 3 3 42 42 GLN HG3 H 1 2.365 0.020 . 2 . . . . 203 GLN HG3 . 18165 1 1884 . 3 3 42 42 GLN CA C 13 56.535 0.400 . 1 . . . . 203 GLN CA . 18165 1 1885 . 3 3 42 42 GLN CB C 13 30.804 0.400 . 1 . . . . 203 GLN CB . 18165 1 1886 . 3 3 42 42 GLN CG C 13 34.915 0.400 . 1 . . . . 203 GLN CG . 18165 1 1887 . 3 3 42 42 GLN N N 15 123.521 0.400 . 1 . . . . 203 GLN N . 18165 1 1888 . 3 3 43 43 ASN HA H 1 4.693 0.020 . 1 . . . . 204 ASN HA . 18165 1 1889 . 3 3 43 43 ASN HB2 H 1 2.837 0.020 . 2 . . . . 204 ASN HB2 . 18165 1 1890 . 3 3 43 43 ASN HB3 H 1 2.752 0.020 . 2 . . . . 204 ASN HB3 . 18165 1 1891 . 3 3 43 43 ASN CA C 13 54.245 0.400 . 1 . . . . 204 ASN CA . 18165 1 1892 . 3 3 43 43 ASN CB C 13 39.983 0.400 . 1 . . . . 204 ASN CB . 18165 1 1893 . 3 3 44 44 GLU H H 1 8.564 0.020 . 1 . . . . 205 GLU H . 18165 1 1894 . 3 3 44 44 GLU HA H 1 4.259 0.020 . 1 . . . . 205 GLU HA . 18165 1 1895 . 3 3 44 44 GLU HB2 H 1 2.057 0.020 . 2 . . . . 205 GLU HB2 . 18165 1 1896 . 3 3 44 44 GLU HB3 H 1 1.960 0.020 . 2 . . . . 205 GLU HB3 . 18165 1 1897 . 3 3 44 44 GLU HG2 H 1 2.258 0.020 . 2 . . . . 205 GLU HG2 . 18165 1 1898 . 3 3 44 44 GLU HG3 H 1 2.258 0.020 . 2 . . . . 205 GLU HG3 . 18165 1 1899 . 3 3 44 44 GLU CA C 13 57.922 0.400 . 1 . . . . 205 GLU CA . 18165 1 1900 . 3 3 44 44 GLU CB C 13 31.129 0.400 . 1 . . . . 205 GLU CB . 18165 1 1901 . 3 3 44 44 GLU CG C 13 37.225 0.400 . 1 . . . . 205 GLU CG . 18165 1 1902 . 3 3 44 44 GLU N N 15 120.987 0.400 . 1 . . . . 205 GLU N . 18165 1 1903 . 3 3 45 45 GLN H H 1 8.427 0.020 . 1 . . . . 206 GLN H . 18165 1 1904 . 3 3 45 45 GLN HA H 1 4.341 0.020 . 1 . . . . 206 GLN HA . 18165 1 1905 . 3 3 45 45 GLN HB2 H 1 2.127 0.020 . 2 . . . . 206 GLN HB2 . 18165 1 1906 . 3 3 45 45 GLN HB3 H 1 1.989 0.020 . 2 . . . . 206 GLN HB3 . 18165 1 1907 . 3 3 45 45 GLN HG2 H 1 2.372 0.020 . 2 . . . . 206 GLN HG2 . 18165 1 1908 . 3 3 45 45 GLN HG3 H 1 2.372 0.020 . 2 . . . . 206 GLN HG3 . 18165 1 1909 . 3 3 45 45 GLN CA C 13 56.885 0.400 . 1 . . . . 206 GLN CA . 18165 1 1910 . 3 3 45 45 GLN CB C 13 30.349 0.400 . 1 . . . . 206 GLN CB . 18165 1 1911 . 3 3 45 45 GLN CG C 13 34.855 0.400 . 1 . . . . 206 GLN CG . 18165 1 1912 . 3 3 45 45 GLN N N 15 120.391 0.400 . 1 . . . . 206 GLN N . 18165 1 1913 . 3 3 46 46 SER H H 1 8.307 0.020 . 1 . . . . 207 SER H . 18165 1 1914 . 3 3 46 46 SER HA H 1 4.414 0.020 . 1 . . . . 207 SER HA . 18165 1 1915 . 3 3 46 46 SER HB2 H 1 3.846 0.020 . 2 . . . . 207 SER HB2 . 18165 1 1916 . 3 3 46 46 SER HB3 H 1 3.846 0.020 . 2 . . . . 207 SER HB3 . 18165 1 1917 . 3 3 46 46 SER CA C 13 59.326 0.400 . 1 . . . . 207 SER CA . 18165 1 1918 . 3 3 46 46 SER CB C 13 64.643 0.400 . 1 . . . . 207 SER CB . 18165 1 1919 . 3 3 46 46 SER N N 15 116.678 0.400 . 1 . . . . 207 SER N . 18165 1 1920 . 3 3 47 47 ARG CA C 13 54.553 0.400 . 1 . . . . 208 ARG CA . 18165 1 1921 . 3 3 47 47 ARG CB C 13 31.205 0.400 . 1 . . . . 208 ARG CB . 18165 1 stop_ save_