data_19066 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19066 _Entry.Title ; Solution structure of the FimH adhesin carbohydrate-binding domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-03-01 _Entry.Accession_date 2013-03-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. 'Van nuland' . A. . 19066 2 SOPHIE VANWETSWINKEL . . . 19066 3 W. Vranken . F. . 19066 4 L. Buts . . . 19066 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' . 19066 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . VANWETSWINKELGroup . 19066 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'bacterial adhesin' . 19066 carbohydrate . 19066 'CELL ADHESION' . 19066 NMR . 19066 'urinary tract infection' . 19066 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19066 heteronucl_T1_relaxation 1 19066 heteronucl_T2_relaxation 1 19066 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 694 19066 '15N chemical shifts' 171 19066 '1H chemical shifts' 1074 19066 'T1 relaxation values' 132 19066 'T2 relaxation values' 133 19066 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 . . 2014-03-04 2013-03-01 update author 'update entry citation' 19066 1 . . 2014-02-10 2013-03-01 original author 'original release' 19066 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19254 'FimH Y48A mutant - Heptyl-mannose complex' 19066 BMRB 19255 'FimH Y48A mutant' 19066 BMRB 19256 'FimH -heptyl-mannose complex' 19066 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19066 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24476493 _Citation.Full_citation . _Citation.Title 'Study of the Structural and Dynamic Effects in the FimH Adhesin upon alfa-D-Heptyl Mannose Binding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full 'Journal of medicinal chemistry' _Citation.Journal_volume 57 _Citation.Journal_issue 4 _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 1416 _Citation.Page_last 1427 _Citation.Year 2014 _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 Sophie Vanwetswinkel . . . 19066 1 2 Alexander Volkov . N. . 19066 1 3 Yann Sterckx . G.J. . 19066 1 4 Abel Garcia-Pino . . . 19066 1 5 Lieven Buts . . . 19066 1 6 Wim Vranken . F. . 19066 1 7 Julie Bouckaert . . . 19066 1 8 Rene Roy . . . 19066 1 9 Lode Wyns . . . 19066 1 10 Nico 'van Nuland' . A.J. . 19066 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19066 _Assembly.ID 1 _Assembly.Name 'Solution structure of the FimH adhesin carbohydrate-binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 16904.8881 _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 FIMH 1 $FIMH A . yes native no no . . . 19066 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 FIMH 1 CYS 3 3 SG . 1 FIMH 1 CYS 44 44 SG . FIMH 3 CYS SG . FIMH 44 CYS SG 19066 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FIMH _Entity.Sf_category entity _Entity.Sf_framecode FIMH _Entity.Entry_ID 19066 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FIMH _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 ; FACKTANGTAIPIGGGSANV YVNLAPVVNVGQNLVVDLST QIFCHNDYPETITDYVTLQR GSAYGGVLSNFSGTVKYSGS SYPFPTTSETPRVVYNSRTD KPWPVALYLTPVSSAGGVAI KAGSLIAVLILRQTNNYNSD DFQFVWNIYANNDVVVPT ; _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 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Carbohydrate-binding domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16904.8881 _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 yes UNP A2IC68_ECOLX . A2IC68 . . . . . . . . . . . . . . 19066 1 2 no BMRB 19254 . FIMH_Y48A_mutant . . . . . 100.00 158 99.37 99.37 5.01e-107 . . . . 19066 1 3 no BMRB 19255 . FIMH_Y48A_mutant . . . . . 100.00 158 99.37 99.37 5.01e-107 . . . . 19066 1 4 no BMRB 19256 . FIMH . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 5 no BMRB 21033 . FimH . . . . . 100.00 173 99.37 99.37 1.42e-107 . . . . 19066 1 6 no BMRB 26541 . FimH-CRD . . . . . 100.00 173 100.00 100.00 1.99e-108 . . . . 19066 1 7 no PDB 1KIU . "Fimh Adhesin Q133n Mutant-Fimc Chaperone Complex With Methyl-Alpha-D-Mannose" . . . . . 100.00 279 99.37 99.37 3.81e-106 . . . . 19066 1 8 no PDB 1KLF . "Fimh Adhesin-Fimc Chaperone Complex With D-Mannose" . . . . . 100.00 279 100.00 100.00 3.54e-107 . . . . 19066 1 9 no PDB 1QUN . "X-Ray Structure Of The Fimc-Fimh Chaperone Adhesin Complex From Uropathogenic E.Coli" . . . . . 100.00 279 100.00 100.00 3.54e-107 . . . . 19066 1 10 no PDB 1TR7 . "Fimh Adhesin Receptor Binding Domain From Uropathogenic E. Coli" . . . . . 100.00 164 100.00 100.00 1.45e-108 . . . . 19066 1 11 no PDB 1UWF . "1.7 A Resolution Structure Of The Receptor Binding Domain Of The Fimh Adhesin From Uropathogenic E. Coli" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 12 no PDB 2VCO . "Crystal Structure Of The Fimbrial Adhesin Fimh In Complex With Its High-Mannose Epitope" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 13 no PDB 3JWN . "Complex Of Fimc, Fimf, Fimg And Fimh" . . . . . 100.00 279 98.10 99.37 3.23e-105 . . . . 19066 1 14 no PDB 3MCY . "Crystal Structure Of Fimh Lectin Domain Bound To Biphenyl Mannoside Meta-Methyl Ester" . . . . . 100.00 181 100.00 100.00 4.37e-108 . . . . 19066 1 15 no PDB 3RFZ . "Crystal Structure Of The Fimd Usher Bound To Its Cognate Fimc:fimh Substrate" . . . . . 100.00 279 100.00 100.00 2.94e-107 . . . . 19066 1 16 no PDB 3ZL1 . "A Thiazolyl-mannoside Bound To Fimh, Monoclinic Space Group" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 17 no PDB 3ZL2 . "A Thiazolyl-mannoside Bound To Fimh, Orthorhombic Space Group" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 18 no PDB 3ZPD . "Solution Structure Of The Fimh Adhesin Carbohydrate-binding Domain" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 19 no PDB 4ATT . "Fimh Lectin Domain Co-crystal With A Alpha-d-mannoside O- Linked To A Propynyl Para Methoxy Phenyl" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 20 no PDB 4AUJ . "Fimh Lectin Domain Co-crystal With A Alpha-d-mannoside O- Linked To Para Hydroxypropargyl Phenyl" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 21 no PDB 4AUU . "Crystal Structure Of Apo Fimh Lectin Domain At 1.5 A Resolution" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 22 no PDB 4AUY . "Structure Of The Fimh Lectin Domain In The Trigonal Space Group, In Complex With An Hydroxyl Propynyl Phenyl Alpha-D- Mannoside" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 23 no PDB 4AV0 . "Structure Of The Fimh Lectin Domain In The Trigonal Space Group, In Complex With A Methoxy Phenyl Propynyl Alpha-D- Mannoside " . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 24 no PDB 4AV4 . "Fimh Lectin Domain Co-Crystal With A Alpha-D-Mannoside O-Linked To A Propynyl Pyridine" . . . . . 100.00 158 99.37 100.00 1.88e-107 . . . . 19066 1 25 no PDB 4AV5 . "Structure Of A Triclinic Crystal Of The Fimh Lectin Domain In Complex With A Propynyl Biphenyl Alpha-D-Mannoside, At 1.4 A Reso" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 26 no PDB 4AVH . "Structure Of The Fimh Lectin Domain In The Trigonal Space Group, In Complex With A Thioalkyl Alpha-D-Mannoside At 2.1 A Resolut" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 27 no PDB 4AVI . "Structure Of The Fimh Lectin Domain In The Trigonal Space Group, In Complex With A Methyl Ester Octyl Alpha-D- Mannoside At 2.4" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 28 no PDB 4AVJ . "Structure Of The Fimh Lectin Domain In The Trigonal Space Group, In Complex With A Methanol Triazol Ethyl Phenyl Alpha-D-Mannos" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 29 no PDB 4AVK . "Structure Of Trigonal Fimh Lectin Domain Crystal Soaked With An Alpha-D-Mannoside O-Linked To Propynyl Pyridine At 2.4 A Resolu" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 30 no PDB 4BUQ . "Crystal Structure Of Wild Type Fimh Lectin Domain In Complex With Heptyl Alpha-d-mannopyrannoside" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 31 no PDB 4CA4 . "Crystal Structure Of Fimh Lectin Domain With The Tyr48ala Mutation, In Complex With Heptyl Alpha-d-mannopyrannoside" . . . . . 100.00 158 99.37 99.37 5.01e-107 . . . . 19066 1 32 no PDB 4CSS . "Crystal Structure Of Fimh In Complex With A Sulfonamide Biphenyl Alpha D-mannoside" . . . . . 100.00 163 100.00 100.00 4.92e-108 . . . . 19066 1 33 no PDB 4CST . "Crystal Structure Of Fimh In Complex With 3'-chloro-4'- (alpha-d-mannopyranosyloxy)-biphenyl-4-carbonitrile" . . . . . 99.37 163 100.00 100.00 4.94e-107 . . . . 19066 1 34 no PDB 4J3O . "Crystal Structure Of The Fimd Usher Traversed By The Pilus Tip Complex Assembly Composed Of Fimc:fimf:fimg:fimh" . . . . . 100.00 279 100.00 100.00 3.54e-107 . . . . 19066 1 35 no PDB 4LOV . "Crystal Structure Of Fimh In Complex With Heptylmannoside" . . . . . 100.00 158 100.00 100.00 3.60e-108 . . . . 19066 1 36 no PDB 4X50 . "Crystal Structure Of Fimh In Complex With Biphenyl Alpha-d- Mannopyranoside" . . . . . 100.00 160 100.00 100.00 5.53e-108 . . . . 19066 1 37 no PDB 4X5P . "Crystal Structure Of Fimh In Complex With A Benzoyl-amidophenyl Alpha- D-mannopyranoside" . . . . . 100.00 160 100.00 100.00 5.53e-108 . . . . 19066 1 38 no PDB 4X5Q . "Crystal Structure Of Fimh In Complex With 5-nitro-indolinylphenyl Alpha-d-mannopyranoside" . . . . . 100.00 160 100.00 100.00 5.53e-108 . . . . 19066 1 39 no PDB 4X5R . "Crystal Structure Of Fimh In Complex With A Squaryl-phenyl Alpha-d- Mannopyranoside Derivative" . . . . . 100.00 160 100.00 100.00 5.53e-108 . . . . 19066 1 40 no DBJ BAB38702 . "minor fimbrial subunit/D-mannose specific adhesin [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 300 98.73 98.73 1.27e-105 . . . . 19066 1 41 no DBJ BAE78313 . "minor component of type 1 fimbriae [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 300 100.00 100.00 8.72e-107 . . . . 19066 1 42 no DBJ BAG80117 . "type-1 fimbrial minor subunit FimH [Escherichia coli SE11]" . . . . . 100.00 300 99.37 99.37 2.48e-106 . . . . 19066 1 43 no DBJ BAI28639 . "minor component FimH of type 1 fimbriae [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 300 98.10 98.10 7.15e-104 . . . . 19066 1 44 no DBJ BAI33780 . "minor component FimH of type 1 fimbriae [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 300 99.37 99.37 2.48e-106 . . . . 19066 1 45 no EMBL CAA12423 . "type 1 fimbriae adhesin, precursor polypeptide [Escherichia coli]" . . . . . 100.00 300 97.47 98.73 2.74e-104 . . . . 19066 1 46 no EMBL CAA29156 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 300 100.00 100.00 6.50e-107 . . . . 19066 1 47 no EMBL CAH55784 . "type 1 fimbrial adhesin subunit FimH [Escherichia coli]" . . . . . 100.00 300 98.10 99.37 5.30e-105 . . . . 19066 1 48 no EMBL CAM92099 . "Type 1 fimbrial adhesin FimH [Escherichia coli]" . . . . . 100.00 303 100.00 100.00 5.17e-107 . . . . 19066 1 49 no EMBL CAP78801 . "Protein fimH [Escherichia coli LF82]" . . . . . 99.37 300 98.09 99.36 3.37e-104 . . . . 19066 1 50 no GB AAA97216 . "CG Site No. 18337 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 300 100.00 100.00 8.72e-107 . . . . 19066 1 51 no GB AAB29812 . "FimH subunit=mannose-sensitive type 1 fimbrial adhesin [Escherichia coli, CSH-50, HB101, Peptide, 300 aa]" . . . . . 100.00 300 99.37 99.37 5.93e-106 . . . . 19066 1 52 no GB AAC35864 . "FimH [Escherichia coli]" . . . . . 100.00 300 97.47 99.37 1.51e-104 . . . . 19066 1 53 no GB AAC77276 . "minor component of type 1 fimbriae [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 300 100.00 100.00 8.72e-107 . . . . 19066 1 54 no GB AAD44319 . "FimH precursor [Escherichia coli]" . . . . . 100.00 300 100.00 100.00 1.06e-106 . . . . 19066 1 55 no REF NP_313306 . "D-mannose specific adhesin [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 300 98.73 98.73 1.27e-105 . . . . 19066 1 56 no REF NP_418740 . "minor component of type 1 fimbriae [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 300 100.00 100.00 8.72e-107 . . . . 19066 1 57 no REF NP_709914 . "minor fimbrial subunit, D-mannose specific adhesin [Shigella flexneri 2a str. 301]" . . . . . 100.00 300 100.00 100.00 6.15e-107 . . . . 19066 1 58 no REF WP_000816510 . "fimbrial protein FimH [Shigella flexneri]" . . . . . 100.00 300 100.00 100.00 9.01e-107 . . . . 19066 1 59 no REF WP_000816511 . "fimbrial protein FimH [Shigella flexneri]" . . . . . 100.00 300 100.00 100.00 6.15e-107 . . . . 19066 1 60 no SP P08191 . "RecName: Full=Protein FimH; Flags: Precursor" . . . . . 100.00 300 100.00 100.00 8.72e-107 . . . . 19066 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 1 PHE . 19066 1 2 2 ALA . 19066 1 3 3 CYS . 19066 1 4 4 LYS . 19066 1 5 5 THR . 19066 1 6 6 ALA . 19066 1 7 7 ASN . 19066 1 8 8 GLY . 19066 1 9 9 THR . 19066 1 10 10 ALA . 19066 1 11 11 ILE . 19066 1 12 12 PRO . 19066 1 13 13 ILE . 19066 1 14 14 GLY . 19066 1 15 15 GLY . 19066 1 16 16 GLY . 19066 1 17 17 SER . 19066 1 18 18 ALA . 19066 1 19 19 ASN . 19066 1 20 20 VAL . 19066 1 21 21 TYR . 19066 1 22 22 VAL . 19066 1 23 23 ASN . 19066 1 24 24 LEU . 19066 1 25 25 ALA . 19066 1 26 26 PRO . 19066 1 27 27 VAL . 19066 1 28 28 VAL . 19066 1 29 29 ASN . 19066 1 30 30 VAL . 19066 1 31 31 GLY . 19066 1 32 32 GLN . 19066 1 33 33 ASN . 19066 1 34 34 LEU . 19066 1 35 35 VAL . 19066 1 36 36 VAL . 19066 1 37 37 ASP . 19066 1 38 38 LEU . 19066 1 39 39 SER . 19066 1 40 40 THR . 19066 1 41 41 GLN . 19066 1 42 42 ILE . 19066 1 43 43 PHE . 19066 1 44 44 CYS . 19066 1 45 45 HIS . 19066 1 46 46 ASN . 19066 1 47 47 ASP . 19066 1 48 48 TYR . 19066 1 49 49 PRO . 19066 1 50 50 GLU . 19066 1 51 51 THR . 19066 1 52 52 ILE . 19066 1 53 53 THR . 19066 1 54 54 ASP . 19066 1 55 55 TYR . 19066 1 56 56 VAL . 19066 1 57 57 THR . 19066 1 58 58 LEU . 19066 1 59 59 GLN . 19066 1 60 60 ARG . 19066 1 61 61 GLY . 19066 1 62 62 SER . 19066 1 63 63 ALA . 19066 1 64 64 TYR . 19066 1 65 65 GLY . 19066 1 66 66 GLY . 19066 1 67 67 VAL . 19066 1 68 68 LEU . 19066 1 69 69 SER . 19066 1 70 70 ASN . 19066 1 71 71 PHE . 19066 1 72 72 SER . 19066 1 73 73 GLY . 19066 1 74 74 THR . 19066 1 75 75 VAL . 19066 1 76 76 LYS . 19066 1 77 77 TYR . 19066 1 78 78 SER . 19066 1 79 79 GLY . 19066 1 80 80 SER . 19066 1 81 81 SER . 19066 1 82 82 TYR . 19066 1 83 83 PRO . 19066 1 84 84 PHE . 19066 1 85 85 PRO . 19066 1 86 86 THR . 19066 1 87 87 THR . 19066 1 88 88 SER . 19066 1 89 89 GLU . 19066 1 90 90 THR . 19066 1 91 91 PRO . 19066 1 92 92 ARG . 19066 1 93 93 VAL . 19066 1 94 94 VAL . 19066 1 95 95 TYR . 19066 1 96 96 ASN . 19066 1 97 97 SER . 19066 1 98 98 ARG . 19066 1 99 99 THR . 19066 1 100 100 ASP . 19066 1 101 101 LYS . 19066 1 102 102 PRO . 19066 1 103 103 TRP . 19066 1 104 104 PRO . 19066 1 105 105 VAL . 19066 1 106 106 ALA . 19066 1 107 107 LEU . 19066 1 108 108 TYR . 19066 1 109 109 LEU . 19066 1 110 110 THR . 19066 1 111 111 PRO . 19066 1 112 112 VAL . 19066 1 113 113 SER . 19066 1 114 114 SER . 19066 1 115 115 ALA . 19066 1 116 116 GLY . 19066 1 117 117 GLY . 19066 1 118 118 VAL . 19066 1 119 119 ALA . 19066 1 120 120 ILE . 19066 1 121 121 LYS . 19066 1 122 122 ALA . 19066 1 123 123 GLY . 19066 1 124 124 SER . 19066 1 125 125 LEU . 19066 1 126 126 ILE . 19066 1 127 127 ALA . 19066 1 128 128 VAL . 19066 1 129 129 LEU . 19066 1 130 130 ILE . 19066 1 131 131 LEU . 19066 1 132 132 ARG . 19066 1 133 133 GLN . 19066 1 134 134 THR . 19066 1 135 135 ASN . 19066 1 136 136 ASN . 19066 1 137 137 TYR . 19066 1 138 138 ASN . 19066 1 139 139 SER . 19066 1 140 140 ASP . 19066 1 141 141 ASP . 19066 1 142 142 PHE . 19066 1 143 143 GLN . 19066 1 144 144 PHE . 19066 1 145 145 VAL . 19066 1 146 146 TRP . 19066 1 147 147 ASN . 19066 1 148 148 ILE . 19066 1 149 149 TYR . 19066 1 150 150 ALA . 19066 1 151 151 ASN . 19066 1 152 152 ASN . 19066 1 153 153 ASP . 19066 1 154 154 VAL . 19066 1 155 155 VAL . 19066 1 156 156 VAL . 19066 1 157 157 PRO . 19066 1 158 158 THR . 19066 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 . PHE 1 1 19066 1 . ALA 2 2 19066 1 . CYS 3 3 19066 1 . LYS 4 4 19066 1 . THR 5 5 19066 1 . ALA 6 6 19066 1 . ASN 7 7 19066 1 . GLY 8 8 19066 1 . THR 9 9 19066 1 . ALA 10 10 19066 1 . ILE 11 11 19066 1 . PRO 12 12 19066 1 . ILE 13 13 19066 1 . GLY 14 14 19066 1 . GLY 15 15 19066 1 . GLY 16 16 19066 1 . SER 17 17 19066 1 . ALA 18 18 19066 1 . ASN 19 19 19066 1 . VAL 20 20 19066 1 . TYR 21 21 19066 1 . VAL 22 22 19066 1 . ASN 23 23 19066 1 . LEU 24 24 19066 1 . ALA 25 25 19066 1 . PRO 26 26 19066 1 . VAL 27 27 19066 1 . VAL 28 28 19066 1 . ASN 29 29 19066 1 . VAL 30 30 19066 1 . GLY 31 31 19066 1 . GLN 32 32 19066 1 . ASN 33 33 19066 1 . LEU 34 34 19066 1 . VAL 35 35 19066 1 . VAL 36 36 19066 1 . ASP 37 37 19066 1 . LEU 38 38 19066 1 . SER 39 39 19066 1 . THR 40 40 19066 1 . GLN 41 41 19066 1 . ILE 42 42 19066 1 . PHE 43 43 19066 1 . CYS 44 44 19066 1 . HIS 45 45 19066 1 . ASN 46 46 19066 1 . ASP 47 47 19066 1 . TYR 48 48 19066 1 . PRO 49 49 19066 1 . GLU 50 50 19066 1 . THR 51 51 19066 1 . ILE 52 52 19066 1 . THR 53 53 19066 1 . ASP 54 54 19066 1 . TYR 55 55 19066 1 . VAL 56 56 19066 1 . THR 57 57 19066 1 . LEU 58 58 19066 1 . GLN 59 59 19066 1 . ARG 60 60 19066 1 . GLY 61 61 19066 1 . SER 62 62 19066 1 . ALA 63 63 19066 1 . TYR 64 64 19066 1 . GLY 65 65 19066 1 . GLY 66 66 19066 1 . VAL 67 67 19066 1 . LEU 68 68 19066 1 . SER 69 69 19066 1 . ASN 70 70 19066 1 . PHE 71 71 19066 1 . SER 72 72 19066 1 . GLY 73 73 19066 1 . THR 74 74 19066 1 . VAL 75 75 19066 1 . LYS 76 76 19066 1 . TYR 77 77 19066 1 . SER 78 78 19066 1 . GLY 79 79 19066 1 . SER 80 80 19066 1 . SER 81 81 19066 1 . TYR 82 82 19066 1 . PRO 83 83 19066 1 . PHE 84 84 19066 1 . PRO 85 85 19066 1 . THR 86 86 19066 1 . THR 87 87 19066 1 . SER 88 88 19066 1 . GLU 89 89 19066 1 . THR 90 90 19066 1 . PRO 91 91 19066 1 . ARG 92 92 19066 1 . VAL 93 93 19066 1 . VAL 94 94 19066 1 . TYR 95 95 19066 1 . ASN 96 96 19066 1 . SER 97 97 19066 1 . ARG 98 98 19066 1 . THR 99 99 19066 1 . ASP 100 100 19066 1 . LYS 101 101 19066 1 . PRO 102 102 19066 1 . TRP 103 103 19066 1 . PRO 104 104 19066 1 . VAL 105 105 19066 1 . ALA 106 106 19066 1 . LEU 107 107 19066 1 . TYR 108 108 19066 1 . LEU 109 109 19066 1 . THR 110 110 19066 1 . PRO 111 111 19066 1 . VAL 112 112 19066 1 . SER 113 113 19066 1 . SER 114 114 19066 1 . ALA 115 115 19066 1 . GLY 116 116 19066 1 . GLY 117 117 19066 1 . VAL 118 118 19066 1 . ALA 119 119 19066 1 . ILE 120 120 19066 1 . LYS 121 121 19066 1 . ALA 122 122 19066 1 . GLY 123 123 19066 1 . SER 124 124 19066 1 . LEU 125 125 19066 1 . ILE 126 126 19066 1 . ALA 127 127 19066 1 . VAL 128 128 19066 1 . LEU 129 129 19066 1 . ILE 130 130 19066 1 . LEU 131 131 19066 1 . ARG 132 132 19066 1 . GLN 133 133 19066 1 . THR 134 134 19066 1 . ASN 135 135 19066 1 . ASN 136 136 19066 1 . TYR 137 137 19066 1 . ASN 138 138 19066 1 . SER 139 139 19066 1 . ASP 140 140 19066 1 . ASP 141 141 19066 1 . PHE 142 142 19066 1 . GLN 143 143 19066 1 . PHE 144 144 19066 1 . VAL 145 145 19066 1 . TRP 146 146 19066 1 . ASN 147 147 19066 1 . ILE 148 148 19066 1 . TYR 149 149 19066 1 . ALA 150 150 19066 1 . ASN 151 151 19066 1 . ASN 152 152 19066 1 . ASP 153 153 19066 1 . VAL 154 154 19066 1 . VAL 155 155 19066 1 . VAL 156 156 19066 1 . PRO 157 157 19066 1 . THR 158 158 19066 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19066 _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 $FIMH . 562 organism . 'Escherichia coli' Enterobacteria . . Bacteria . Escherichia coli J96 . . . . . . . . . . . . . . . . . 'N-TERMINAL LECTIN DOMAIN, RESIDUES 22-179' . . 19066 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 19066 _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 $FIMH . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET24a . . . . . . 19066 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19066 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FimH_protonated 0.001000 M, sodium phosphate 0.020000 M, sodium chloride 0.100000 M' _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 FIMH [U-13C,15N] . . 1 $FIMH . . 0.001 . . M . . . . 19066 1 2 'sodium phosphate' 'natural abundance' . . . . . . 0.02 . . M . . . . 19066 1 3 'sodium chloride' 'natural abundance' . . . . . . 0.1 . . M . . . . 19066 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19066 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19066 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19066 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FimH_protonated 0.001100 M, sodium phosphate 0.020000 M, sodium chloride 0.100000 M' _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 FIMH [U-15N] . . 1 $FIMH . . 0.0011 . . M . . . . 19066 2 2 'sodium phosphate' 'natural abundance' . . . . . . 0.02 . . M . . . . 19066 2 3 'sodium chloride' 'natural abundance' . . . . . . 0.1 . . M . . . . 19066 2 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19066 2 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19066 2 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 19066 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.0], temp [298], pressure [1.0], ionStrength [0.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 . M 19066 1 pH 6.000 . pH 19066 1 pressure 1.000 . atm 19066 1 temperature 298.000 . K 19066 1 stop_ save_ ############################ # Computer software used # ############################ save_CING_any _Software.Sf_category software _Software.Sf_framecode CING_any _Software.Entry_ID 19066 _Software.ID 1 _Software.Name CING_any _Software.Version any _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19066 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19066 _Software.ID 2 _Software.Name CNS _Software.Version any _Software.Details 'Recoord protocol' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN . . 19066 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19066 _Software.ID 3 _Software.Name ANALYSIS _Software.Version 2.1 _Software.Details . save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 19066 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . save_ save_DANGLE _Software.Sf_category software _Software.Sf_framecode DANGLE _Software.Entry_ID 19066 _Software.ID 5 _Software.Name DANGLE _Software.Version 1.1 _Software.Details . save_ save_Talosplus_any _Software.Sf_category software _Software.Sf_framecode Talosplus_any _Software.Entry_ID 19066 _Software.ID 6 _Software.Name Talosplus_any _Software.Version any _Software.Details . save_ save_ccpNmr_any _Software.Sf_category software _Software.Sf_framecode ccpNmr_any _Software.Entry_ID 19066 _Software.ID 7 _Software.Name ccpNmr_any _Software.Version any _Software.Details . save_ save_nmrDraw_any _Software.Sf_category software _Software.Sf_framecode nmrDraw_any _Software.Entry_ID 19066 _Software.ID 8 _Software.Name NMRDraw _Software.Version any _Software.Details . save_ save_nmrPipe_any _Software.Sf_category software _Software.Sf_framecode nmrPipe_any _Software.Entry_ID 19066 _Software.ID 9 _Software.Name NMRPipe _Software.Version any _Software.Details . save_ save_Recoord _Method.Sf_category method _Method.Sf_framecode Recoord _Method.Entry_ID 19066 _Method.ID 1 _Method.Derivation_type . _Method.Details Recoord _Method.Computer_ID . _Method.Computer_label . 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 19066 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Direct-Drive _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 19066 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Direct-Drive _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19066 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19066 _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 Direct-Drive . 600 . . . 19066 1 2 spectrometer_2 Varian Direct-Drive . 800 . . . 19066 1 3 spectrometer_3 Bruker Avance . 900 . . . 19066 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 19066 _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 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19066 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19066 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19066 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19066 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19066 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19066 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19066 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19066 1 9 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19066 1 10 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19066 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19066 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19066 1 13 '2D 1H-15N HSQC CPMG' no . . . . . . . . . . 2 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19066 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19066 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 19066 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 HDO proton . . . . ppm 4.7 internal indirect 1 . . . . . . . . . 19066 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19066 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zpd/ebi/EBI-55996.csh' _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' 1 $sample_1 solution 19066 1 2 '2D 1H-13C HSQC' 1 $sample_1 solution 19066 1 3 '3D CBCA(CO)NH' 1 $sample_1 solution 19066 1 4 '3D HNCACB' 1 $sample_1 solution 19066 1 5 '3D HNCO' 1 $sample_1 solution 19066 1 6 '3D HBHA(CO)NH' 1 $sample_1 solution 19066 1 7 '3D C(CO)NH' 1 $sample_1 solution 19066 1 8 '3D HCCH-TOCSY' 1 $sample_1 solution 19066 1 9 '2D (HB)CB(CGCD)HD' 1 $sample_1 solution 19066 1 10 '2D (HB)CB(CGCDCE)HE' 1 $sample_1 solution 19066 1 11 '3D 1H-15N NOESY' 1 $sample_1 solution 19066 1 12 '3D 1H-13C NOESY' 1 $sample_1 solution 19066 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PHE HA H 1 4.542 0.002 . 1 . 785 . . 1 PHE HA . 19066 1 2 . 1 1 1 1 PHE HB2 H 1 2.662 0.002 . 2 . 787 . . 1 PHE HB2 . 19066 1 3 . 1 1 1 1 PHE HB3 H 1 3.566 0.002 . 2 . 786 . . 1 PHE HB3 . 19066 1 4 . 1 1 1 1 PHE C C 13 171.381 0.05 . 1 . 644 . . 1 PHE C . 19066 1 5 . 1 1 1 1 PHE CA C 13 56.123 0.05 . 1 . 602 . . 1 PHE CA . 19066 1 6 . 1 1 1 1 PHE CB C 13 37.984 0.05 . 1 . 601 . . 1 PHE CB . 19066 1 7 . 1 1 2 2 ALA H H 1 6.785 0.002 . 1 . 128 . . 2 ALA H . 19066 1 8 . 1 1 2 2 ALA HA H 1 4.262 0.002 . 1 . 1089 . . 2 ALA HA . 19066 1 9 . 1 1 2 2 ALA HB1 H 1 1.517 0.002 . 1 . 1088 . . 2 ALA HB1 . 19066 1 10 . 1 1 2 2 ALA HB2 H 1 1.517 0.002 . 1 . 1088 . . 2 ALA HB2 . 19066 1 11 . 1 1 2 2 ALA HB3 H 1 1.517 0.002 . 1 . 1088 . . 2 ALA HB3 . 19066 1 12 . 1 1 2 2 ALA C C 13 174.357 0.05 . 1 . 772 . . 2 ALA C . 19066 1 13 . 1 1 2 2 ALA CA C 13 51.541 0.05 . 1 . 597 . . 2 ALA CA . 19066 1 14 . 1 1 2 2 ALA CB C 13 22.497 0.05 . 1 . 598 . . 2 ALA CB . 19066 1 15 . 1 1 2 2 ALA N N 15 129.205 0.01 . 1 . 129 . . 2 ALA N . 19066 1 16 . 1 1 3 3 CYS H H 1 7.830 0.002 . 1 . 321 . . 3 CYS H . 19066 1 17 . 1 1 3 3 CYS HA H 1 5.563 0.002 . 1 . 788 . . 3 CYS HA . 19066 1 18 . 1 1 3 3 CYS HB2 H 1 2.710 0.002 . 2 . 789 . . 3 CYS HB2 . 19066 1 19 . 1 1 3 3 CYS HB3 H 1 3.125 0.002 . 2 . 790 . . 3 CYS HB3 . 19066 1 20 . 1 1 3 3 CYS C C 13 173.115 0.05 . 1 . 645 . . 3 CYS C . 19066 1 21 . 1 1 3 3 CYS CA C 13 56.156 0.05 . 1 . 600 . . 3 CYS CA . 19066 1 22 . 1 1 3 3 CYS CB C 13 51.432 0.05 . 1 . 599 . . 3 CYS CB . 19066 1 23 . 1 1 3 3 CYS N N 15 112.233 0.01 . 1 . 322 . . 3 CYS N . 19066 1 24 . 1 1 4 4 LYS H H 1 10.005 0.002 . 1 . 225 . . 4 LYS H . 19066 1 25 . 1 1 4 4 LYS HA H 1 5.617 0.002 . 1 . 791 . . 4 LYS HA . 19066 1 26 . 1 1 4 4 LYS HB2 H 1 1.907 0.002 . 2 . 792 . . 4 LYS HB2 . 19066 1 27 . 1 1 4 4 LYS HB3 H 1 1.814 0.002 . 2 . 1179 . . 4 LYS HB3 . 19066 1 28 . 1 1 4 4 LYS HG2 H 1 1.488 0.002 . 2 . 1176 . . 4 LYS HG2 . 19066 1 29 . 1 1 4 4 LYS HG3 H 1 1.220 0.002 . 2 . 1175 . . 4 LYS HG3 . 19066 1 30 . 1 1 4 4 LYS HD2 H 1 1.608 0.002 . 1 . 1181 . . 4 LYS HD2 . 19066 1 31 . 1 1 4 4 LYS HD3 H 1 1.608 0.002 . 1 . 1180 . . 4 LYS HD3 . 19066 1 32 . 1 1 4 4 LYS HE2 H 1 2.783 0.002 . 1 . 1177 . . 4 LYS HE2 . 19066 1 33 . 1 1 4 4 LYS HE3 H 1 2.783 0.002 . 1 . 1178 . . 4 LYS HE3 . 19066 1 34 . 1 1 4 4 LYS C C 13 174.611 0.05 . 1 . 646 . . 4 LYS C . 19066 1 35 . 1 1 4 4 LYS CA C 13 55.128 0.05 . 1 . 436 . . 4 LYS CA . 19066 1 36 . 1 1 4 4 LYS CB C 13 36.228 0.05 . 1 . 437 . . 4 LYS CB . 19066 1 37 . 1 1 4 4 LYS CG C 13 23.415 0.05 . 1 . 1168 . . 4 LYS CG . 19066 1 38 . 1 1 4 4 LYS CD C 13 29.493 0.05 . 1 . 1169 . . 4 LYS CD . 19066 1 39 . 1 1 4 4 LYS CE C 13 41.911 0.05 . 1 . 1182 . . 4 LYS CE . 19066 1 40 . 1 1 4 4 LYS N N 15 121.241 0.01 . 1 . 226 . . 4 LYS N . 19066 1 41 . 1 1 5 5 THR H H 1 8.808 0.002 . 1 . 256 . . 5 THR H . 19066 1 42 . 1 1 5 5 THR HA H 1 6.024 0.002 . 1 . 1102 . . 5 THR HA . 19066 1 43 . 1 1 5 5 THR HB H 1 5.008 0.002 . 1 . 1103 . . 5 THR HB . 19066 1 44 . 1 1 5 5 THR HG21 H 1 1.426 0.002 . 1 . 1258 . . 5 THR HG21 . 19066 1 45 . 1 1 5 5 THR HG22 H 1 1.426 0.002 . 1 . 1258 . . 5 THR HG22 . 19066 1 46 . 1 1 5 5 THR HG23 H 1 1.426 0.002 . 1 . 1258 . . 5 THR HG23 . 19066 1 47 . 1 1 5 5 THR C C 13 178.539 0.05 . 1 . 647 . . 5 THR C . 19066 1 48 . 1 1 5 5 THR CA C 13 59.134 0.05 . 1 . 435 . . 5 THR CA . 19066 1 49 . 1 1 5 5 THR CB C 13 72.112 0.05 . 1 . 434 . . 5 THR CB . 19066 1 50 . 1 1 5 5 THR CG2 C 13 23.341 0.05 . 1 . 1259 . . 5 THR CG2 . 19066 1 51 . 1 1 5 5 THR N N 15 109.498 0.01 . 1 . 257 . . 5 THR N . 19066 1 52 . 1 1 6 6 ALA H H 1 8.680 0.002 . 1 . 319 . . 6 ALA H . 19066 1 53 . 1 1 6 6 ALA HA H 1 4.276 0.002 . 1 . 833 . . 6 ALA HA . 19066 1 54 . 1 1 6 6 ALA HB1 H 1 1.789 0.002 . 1 . 832 . . 6 ALA HB1 . 19066 1 55 . 1 1 6 6 ALA HB2 H 1 1.789 0.002 . 1 . 832 . . 6 ALA HB2 . 19066 1 56 . 1 1 6 6 ALA HB3 H 1 1.789 0.002 . 1 . 832 . . 6 ALA HB3 . 19066 1 57 . 1 1 6 6 ALA C C 13 178.291 0.05 . 1 . 648 . . 6 ALA C . 19066 1 58 . 1 1 6 6 ALA CA C 13 54.544 0.05 . 1 . 432 . . 6 ALA CA . 19066 1 59 . 1 1 6 6 ALA CB C 13 18.871 0.05 . 1 . 433 . . 6 ALA CB . 19066 1 60 . 1 1 6 6 ALA N N 15 123.481 0.01 . 1 . 320 . . 6 ALA N . 19066 1 61 . 1 1 7 7 ASN H H 1 8.147 0.002 . 1 . 259 . . 7 ASN H . 19066 1 62 . 1 1 7 7 ASN HA H 1 4.968 0.002 . 1 . 793 . . 7 ASN HA . 19066 1 63 . 1 1 7 7 ASN HB2 H 1 3.156 0.002 . 2 . 795 . . 7 ASN HB2 . 19066 1 64 . 1 1 7 7 ASN HB3 H 1 3.007 0.002 . 2 . 794 . . 7 ASN HB3 . 19066 1 65 . 1 1 7 7 ASN HD21 H 1 7.085 0.002 . 1 . 266 . . 7 ASN HD21 . 19066 1 66 . 1 1 7 7 ASN HD22 H 1 7.834 0.002 . 1 . 323 . . 7 ASN HD22 . 19066 1 67 . 1 1 7 7 ASN C C 13 176.032 0.05 . 1 . 649 . . 7 ASN C . 19066 1 68 . 1 1 7 7 ASN CA C 13 52.801 0.05 . 1 . 430 . . 7 ASN CA . 19066 1 69 . 1 1 7 7 ASN CB C 13 38.666 0.05 . 1 . 431 . . 7 ASN CB . 19066 1 70 . 1 1 7 7 ASN CG C 13 177.643 0.05 . 1 . 773 . . 7 ASN CG . 19066 1 71 . 1 1 7 7 ASN N N 15 112.923 0.01 . 1 . 260 . . 7 ASN N . 19066 1 72 . 1 1 7 7 ASN ND2 N 15 112.576 0.01 . 1 . 324 . . 7 ASN ND2 . 19066 1 73 . 1 1 8 8 GLY H H 1 8.085 0.002 . 1 . 263 . . 8 GLY H . 19066 1 74 . 1 1 8 8 GLY HA2 H 1 4.378 0.002 . 2 . 831 . . 8 GLY HA2 . 19066 1 75 . 1 1 8 8 GLY HA3 H 1 3.685 0.002 . 2 . 830 . . 8 GLY HA3 . 19066 1 76 . 1 1 8 8 GLY C C 13 174.650 0.05 . 1 . 774 . . 8 GLY C . 19066 1 77 . 1 1 8 8 GLY CA C 13 45.738 0.05 . 1 . 429 . . 8 GLY CA . 19066 1 78 . 1 1 8 8 GLY N N 15 107.714 0.01 . 1 . 264 . . 8 GLY N . 19066 1 79 . 1 1 9 9 THR H H 1 7.783 0.002 . 1 . 98 . . 9 THR H . 19066 1 80 . 1 1 9 9 THR HA H 1 4.349 0.002 . 1 . 1104 . . 9 THR HA . 19066 1 81 . 1 1 9 9 THR HB H 1 4.494 0.002 . 1 . 1105 . . 9 THR HB . 19066 1 82 . 1 1 9 9 THR HG21 H 1 1.417 0.002 . 1 . 1362 . . 9 THR HG21 . 19066 1 83 . 1 1 9 9 THR HG22 H 1 1.417 0.002 . 1 . 1362 . . 9 THR HG22 . 19066 1 84 . 1 1 9 9 THR HG23 H 1 1.417 0.002 . 1 . 1362 . . 9 THR HG23 . 19066 1 85 . 1 1 9 9 THR C C 13 172.943 0.05 . 1 . 650 . . 9 THR C . 19066 1 86 . 1 1 9 9 THR CA C 13 63.514 0.05 . 1 . 428 . . 9 THR CA . 19066 1 87 . 1 1 9 9 THR CB C 13 69.302 0.05 . 1 . 427 . . 9 THR CB . 19066 1 88 . 1 1 9 9 THR CG2 C 13 22.449 0.05 . 1 . 1170 . . 9 THR CG2 . 19066 1 89 . 1 1 9 9 THR N N 15 118.381 0.01 . 1 . 99 . . 9 THR N . 19066 1 90 . 1 1 10 10 ALA H H 1 8.749 0.002 . 1 . 61 . . 10 ALA H . 19066 1 91 . 1 1 10 10 ALA HA H 1 5.142 0.002 . 1 . 834 . . 10 ALA HA . 19066 1 92 . 1 1 10 10 ALA HB1 H 1 1.451 0.002 . 1 . 835 . . 10 ALA HB1 . 19066 1 93 . 1 1 10 10 ALA HB2 H 1 1.451 0.002 . 1 . 835 . . 10 ALA HB2 . 19066 1 94 . 1 1 10 10 ALA HB3 H 1 1.451 0.002 . 1 . 835 . . 10 ALA HB3 . 19066 1 95 . 1 1 10 10 ALA C C 13 177.465 0.05 . 1 . 651 . . 10 ALA C . 19066 1 96 . 1 1 10 10 ALA CA C 13 51.535 0.05 . 1 . 445 . . 10 ALA CA . 19066 1 97 . 1 1 10 10 ALA CB C 13 22.129 0.05 . 1 . 444 . . 10 ALA CB . 19066 1 98 . 1 1 10 10 ALA N N 15 128.105 0.01 . 1 . 62 . . 10 ALA N . 19066 1 99 . 1 1 11 11 ILE H H 1 8.451 0.002 . 1 . 75 . . 11 ILE H . 19066 1 100 . 1 1 11 11 ILE HA H 1 4.498 0.002 . 1 . 1665 . . 11 ILE HA . 19066 1 101 . 1 1 11 11 ILE HB H 1 1.533 0.002 . 1 . 1363 . . 11 ILE HB . 19066 1 102 . 1 1 11 11 ILE HG12 H 1 1.128 0.002 . 2 . 1716 . . 11 ILE HG12 . 19066 1 103 . 1 1 11 11 ILE HG13 H 1 0.431 0.002 . 2 . 1715 . . 11 ILE HG13 . 19066 1 104 . 1 1 11 11 ILE HG21 H 1 0.380 0.002 . 1 . 1366 . . 11 ILE HG21 . 19066 1 105 . 1 1 11 11 ILE HG22 H 1 0.380 0.002 . 1 . 1366 . . 11 ILE HG22 . 19066 1 106 . 1 1 11 11 ILE HG23 H 1 0.380 0.002 . 1 . 1366 . . 11 ILE HG23 . 19066 1 107 . 1 1 11 11 ILE HD11 H 1 -0.448 0.002 . 1 . 1364 . . 11 ILE HD11 . 19066 1 108 . 1 1 11 11 ILE HD12 H 1 -0.448 0.002 . 1 . 1364 . . 11 ILE HD12 . 19066 1 109 . 1 1 11 11 ILE HD13 H 1 -0.448 0.002 . 1 . 1364 . . 11 ILE HD13 . 19066 1 110 . 1 1 11 11 ILE CA C 13 59.300 0.05 . 1 . 541 . . 11 ILE CA . 19066 1 111 . 1 1 11 11 ILE CB C 13 40.134 0.05 . 1 . 540 . . 11 ILE CB . 19066 1 112 . 1 1 11 11 ILE CG1 C 13 27.436 0.05 . 1 . 1714 . . 11 ILE CG1 . 19066 1 113 . 1 1 11 11 ILE CG2 C 13 18.930 0.05 . 1 . 1371 . . 11 ILE CG2 . 19066 1 114 . 1 1 11 11 ILE CD1 C 13 11.776 0.05 . 1 . 1365 . . 11 ILE CD1 . 19066 1 115 . 1 1 11 11 ILE N N 15 120.607 0.01 . 1 . 76 . . 11 ILE N . 19066 1 116 . 1 1 12 12 PRO HA H 1 4.762 0.002 . 1 . 836 . . 12 PRO HA . 19066 1 117 . 1 1 12 12 PRO HB2 H 1 2.172 0.002 . 1 . 1106 . . 12 PRO HB2 . 19066 1 118 . 1 1 12 12 PRO HB3 H 1 2.172 0.002 . 1 . 837 . . 12 PRO HB3 . 19066 1 119 . 1 1 12 12 PRO HG2 H 1 1.920 0.002 . 2 . 1454 . . 12 PRO HG2 . 19066 1 120 . 1 1 12 12 PRO HG3 H 1 1.813 0.002 . 2 . 1455 . . 12 PRO HG3 . 19066 1 121 . 1 1 12 12 PRO HD2 H 1 3.472 0.002 . 2 . 1453 . . 12 PRO HD2 . 19066 1 122 . 1 1 12 12 PRO HD3 H 1 3.549 0.002 . 2 . 1452 . . 12 PRO HD3 . 19066 1 123 . 1 1 12 12 PRO C C 13 174.234 0.05 . 1 . 652 . . 12 PRO C . 19066 1 124 . 1 1 12 12 PRO CA C 13 62.388 0.05 . 1 . 533 . . 12 PRO CA . 19066 1 125 . 1 1 12 12 PRO CB C 13 34.259 0.05 . 1 . 532 . . 12 PRO CB . 19066 1 126 . 1 1 12 12 PRO CG C 13 26.142 0.05 . 1 . 1451 . . 12 PRO CG . 19066 1 127 . 1 1 12 12 PRO CD C 13 50.873 0.05 . 1 . 1456 . . 12 PRO CD . 19066 1 128 . 1 1 13 13 ILE H H 1 7.777 0.002 . 1 . 79 . . 13 ILE H . 19066 1 129 . 1 1 13 13 ILE HA H 1 4.129 0.002 . 1 . 839 . . 13 ILE HA . 19066 1 130 . 1 1 13 13 ILE HB H 1 1.550 0.002 . 1 . 838 . . 13 ILE HB . 19066 1 131 . 1 1 13 13 ILE HG12 H 1 1.088 0.002 . 2 . 1721 . . 13 ILE HG12 . 19066 1 132 . 1 1 13 13 ILE HG13 H 1 1.706 0.002 . 2 . 1720 . . 13 ILE HG13 . 19066 1 133 . 1 1 13 13 ILE HG21 H 1 0.928 0.002 . 1 . 1185 . . 13 ILE HG21 . 19066 1 134 . 1 1 13 13 ILE HG22 H 1 0.928 0.002 . 1 . 1185 . . 13 ILE HG22 . 19066 1 135 . 1 1 13 13 ILE HG23 H 1 0.928 0.002 . 1 . 1185 . . 13 ILE HG23 . 19066 1 136 . 1 1 13 13 ILE HD11 H 1 0.949 0.002 . 1 . 1376 . . 13 ILE HD11 . 19066 1 137 . 1 1 13 13 ILE HD12 H 1 0.949 0.002 . 1 . 1376 . . 13 ILE HD12 . 19066 1 138 . 1 1 13 13 ILE HD13 H 1 0.949 0.002 . 1 . 1376 . . 13 ILE HD13 . 19066 1 139 . 1 1 13 13 ILE C C 13 178.028 0.05 . 1 . 653 . . 13 ILE C . 19066 1 140 . 1 1 13 13 ILE CA C 13 63.220 0.05 . 1 . 351 . . 13 ILE CA . 19066 1 141 . 1 1 13 13 ILE CB C 13 39.320 0.05 . 1 . 352 . . 13 ILE CB . 19066 1 142 . 1 1 13 13 ILE CG1 C 13 29.456 0.05 . 1 . 1183 . . 13 ILE CG1 . 19066 1 143 . 1 1 13 13 ILE CG2 C 13 17.097 0.05 . 1 . 1184 . . 13 ILE CG2 . 19066 1 144 . 1 1 13 13 ILE CD1 C 13 13.872 0.05 . 1 . 1377 . . 13 ILE CD1 . 19066 1 145 . 1 1 13 13 ILE N N 15 115.703 0.01 . 1 . 80 . . 13 ILE N . 19066 1 146 . 1 1 14 14 GLY H H 1 8.259 0.002 . 1 . 104 . . 14 GLY H . 19066 1 147 . 1 1 14 14 GLY HA2 H 1 1.268 0.002 . 2 . 840 . . 14 GLY HA2 . 19066 1 148 . 1 1 14 14 GLY HA3 H 1 3.798 0.002 . 2 . 841 . . 14 GLY HA3 . 19066 1 149 . 1 1 14 14 GLY C C 13 174.825 0.05 . 1 . 654 . . 14 GLY C . 19066 1 150 . 1 1 14 14 GLY CA C 13 42.849 0.05 . 1 . 350 . . 14 GLY CA . 19066 1 151 . 1 1 14 14 GLY N N 15 116.208 0.01 . 1 . 105 . . 14 GLY N . 19066 1 152 . 1 1 15 15 GLY H H 1 7.626 0.002 . 1 . 13 . . 15 GLY H . 19066 1 153 . 1 1 15 15 GLY HA2 H 1 3.496 0.002 . 2 . 843 . . 15 GLY HA2 . 19066 1 154 . 1 1 15 15 GLY HA3 H 1 1.283 0.002 . 2 . 842 . . 15 GLY HA3 . 19066 1 155 . 1 1 15 15 GLY C C 13 172.239 0.05 . 1 . 655 . . 15 GLY C . 19066 1 156 . 1 1 15 15 GLY CA C 13 42.885 0.05 . 1 . 526 . . 15 GLY CA . 19066 1 157 . 1 1 15 15 GLY N N 15 108.744 0.01 . 1 . 14 . . 15 GLY N . 19066 1 158 . 1 1 16 16 GLY H H 1 7.559 0.002 . 1 . 118 . . 16 GLY H . 19066 1 159 . 1 1 16 16 GLY HA2 H 1 4.205 0.002 . 2 . 845 . . 16 GLY HA2 . 19066 1 160 . 1 1 16 16 GLY HA3 H 1 3.551 0.002 . 2 . 844 . . 16 GLY HA3 . 19066 1 161 . 1 1 16 16 GLY C C 13 171.246 0.05 . 1 . 775 . . 16 GLY C . 19066 1 162 . 1 1 16 16 GLY CA C 13 44.667 0.05 . 1 . 381 . . 16 GLY CA . 19066 1 163 . 1 1 16 16 GLY N N 15 104.064 0.01 . 1 . 119 . . 16 GLY N . 19066 1 164 . 1 1 17 17 SER H H 1 8.343 0.002 . 1 . 23 . . 17 SER H . 19066 1 165 . 1 1 17 17 SER HA H 1 5.577 0.002 . 1 . 846 . . 17 SER HA . 19066 1 166 . 1 1 17 17 SER HB2 H 1 3.558 0.002 . 2 . 1681 . . 17 SER HB2 . 19066 1 167 . 1 1 17 17 SER HB3 H 1 3.525 0.002 . 2 . 1680 . . 17 SER HB3 . 19066 1 168 . 1 1 17 17 SER C C 13 172.923 0.05 . 1 . 656 . . 17 SER C . 19066 1 169 . 1 1 17 17 SER CA C 13 56.209 0.05 . 1 . 380 . . 17 SER CA . 19066 1 170 . 1 1 17 17 SER CB C 13 66.629 0.05 . 1 . 379 . . 17 SER CB . 19066 1 171 . 1 1 17 17 SER N N 15 115.537 0.01 . 1 . 24 . . 17 SER N . 19066 1 172 . 1 1 18 18 ALA H H 1 8.540 0.002 . 1 . 150 . . 18 ALA H . 19066 1 173 . 1 1 18 18 ALA HA H 1 4.548 0.002 . 1 . 847 . . 18 ALA HA . 19066 1 174 . 1 1 18 18 ALA HB1 H 1 1.350 0.002 . 1 . 848 . . 18 ALA HB1 . 19066 1 175 . 1 1 18 18 ALA HB2 H 1 1.350 0.002 . 1 . 848 . . 18 ALA HB2 . 19066 1 176 . 1 1 18 18 ALA HB3 H 1 1.350 0.002 . 1 . 848 . . 18 ALA HB3 . 19066 1 177 . 1 1 18 18 ALA C C 13 175.099 0.05 . 1 . 657 . . 18 ALA C . 19066 1 178 . 1 1 18 18 ALA CA C 13 51.790 0.05 . 1 . 378 . . 18 ALA CA . 19066 1 179 . 1 1 18 18 ALA CB C 13 22.756 0.05 . 1 . 377 . . 18 ALA CB . 19066 1 180 . 1 1 18 18 ALA N N 15 122.157 0.01 . 1 . 151 . . 18 ALA N . 19066 1 181 . 1 1 19 19 ASN H H 1 8.695 0.002 . 1 . 91 . . 19 ASN H . 19066 1 182 . 1 1 19 19 ASN HA H 1 5.879 0.002 . 1 . 796 . . 19 ASN HA . 19066 1 183 . 1 1 19 19 ASN HB2 H 1 2.449 0.002 . 2 . 797 . . 19 ASN HB2 . 19066 1 184 . 1 1 19 19 ASN HB3 H 1 2.976 0.002 . 2 . 798 . . 19 ASN HB3 . 19066 1 185 . 1 1 19 19 ASN HD21 H 1 6.959 0.002 . 1 . 223 . . 19 ASN HD21 . 19066 1 186 . 1 1 19 19 ASN HD22 H 1 7.414 0.002 . 1 . 1457 . . 19 ASN HD22 . 19066 1 187 . 1 1 19 19 ASN C C 13 174.522 0.05 . 1 . 658 . . 19 ASN C . 19066 1 188 . 1 1 19 19 ASN CA C 13 51.650 0.05 . 1 . 375 . . 19 ASN CA . 19066 1 189 . 1 1 19 19 ASN CB C 13 39.803 0.05 . 1 . 376 . . 19 ASN CB . 19066 1 190 . 1 1 19 19 ASN CG C 13 176.203 0.05 . 1 . 1566 . . 19 ASN CG . 19066 1 191 . 1 1 19 19 ASN N N 15 119.045 0.01 . 1 . 92 . . 19 ASN N . 19066 1 192 . 1 1 19 19 ASN ND2 N 15 112.508 0.01 . 1 . 224 . . 19 ASN ND2 . 19066 1 193 . 1 1 20 20 VAL H H 1 9.511 0.002 . 1 . 67 . . 20 VAL H . 19066 1 194 . 1 1 20 20 VAL HA H 1 4.418 0.002 . 1 . 850 . . 20 VAL HA . 19066 1 195 . 1 1 20 20 VAL HB H 1 2.123 0.002 . 1 . 849 . . 20 VAL HB . 19066 1 196 . 1 1 20 20 VAL HG11 H 1 0.917 0.002 . 2 . 1188 . . 20 VAL HG11 . 19066 1 197 . 1 1 20 20 VAL HG12 H 1 0.917 0.002 . 2 . 1188 . . 20 VAL HG12 . 19066 1 198 . 1 1 20 20 VAL HG13 H 1 0.917 0.002 . 2 . 1188 . . 20 VAL HG13 . 19066 1 199 . 1 1 20 20 VAL HG21 H 1 1.118 0.002 . 2 . 1187 . . 20 VAL HG21 . 19066 1 200 . 1 1 20 20 VAL HG22 H 1 1.118 0.002 . 2 . 1187 . . 20 VAL HG22 . 19066 1 201 . 1 1 20 20 VAL HG23 H 1 1.118 0.002 . 2 . 1187 . . 20 VAL HG23 . 19066 1 202 . 1 1 20 20 VAL C C 13 173.435 0.05 . 1 . 659 . . 20 VAL C . 19066 1 203 . 1 1 20 20 VAL CA C 13 61.342 0.05 . 1 . 373 . . 20 VAL CA . 19066 1 204 . 1 1 20 20 VAL CB C 13 34.644 0.05 . 1 . 374 . . 20 VAL CB . 19066 1 205 . 1 1 20 20 VAL CG1 C 13 21.213 0.05 . 2 . 1682 . . 20 VAL CG1 . 19066 1 206 . 1 1 20 20 VAL CG2 C 13 22.072 0.05 . 2 . 1186 . . 20 VAL CG2 . 19066 1 207 . 1 1 20 20 VAL N N 15 124.167 0.01 . 1 . 68 . . 20 VAL N . 19066 1 208 . 1 1 21 21 TYR H H 1 8.883 0.002 . 1 . 213 . . 21 TYR H . 19066 1 209 . 1 1 21 21 TYR HA H 1 5.007 0.002 . 1 . 799 . . 21 TYR HA . 19066 1 210 . 1 1 21 21 TYR HB2 H 1 3.006 0.002 . 2 . 801 . . 21 TYR HB2 . 19066 1 211 . 1 1 21 21 TYR HB3 H 1 2.845 0.002 . 2 . 800 . . 21 TYR HB3 . 19066 1 212 . 1 1 21 21 TYR HD1 H 1 6.992 0.002 . 3 . 1138 . . 21 TYR HD1 . 19066 1 213 . 1 1 21 21 TYR HD2 H 1 6.992 0.002 . 3 . 1139 . . 21 TYR HD2 . 19066 1 214 . 1 1 21 21 TYR HE1 H 1 6.401 0.002 . 3 . 1134 . . 21 TYR HE1 . 19066 1 215 . 1 1 21 21 TYR HE2 H 1 6.401 0.002 . 3 . 1135 . . 21 TYR HE2 . 19066 1 216 . 1 1 21 21 TYR C C 13 176.343 0.05 . 1 . 660 . . 21 TYR C . 19066 1 217 . 1 1 21 21 TYR CA C 13 57.334 0.05 . 1 . 372 . . 21 TYR CA . 19066 1 218 . 1 1 21 21 TYR CB C 13 38.650 0.05 . 1 . 371 . . 21 TYR CB . 19066 1 219 . 1 1 21 21 TYR CD1 C 13 133.193 0.05 . 3 . 1265 . . 21 TYR CD1 . 19066 1 220 . 1 1 21 21 TYR CD2 C 13 133.193 0.05 . 3 . 1266 . . 21 TYR CD2 . 19066 1 221 . 1 1 21 21 TYR CE1 C 13 117.647 0.05 . 3 . 1267 . . 21 TYR CE1 . 19066 1 222 . 1 1 21 21 TYR CE2 C 13 117.647 0.05 . 3 . 1268 . . 21 TYR CE2 . 19066 1 223 . 1 1 21 21 TYR N N 15 128.439 0.01 . 1 . 214 . . 21 TYR N . 19066 1 224 . 1 1 22 22 VAL H H 1 8.748 0.002 . 1 . 21 . . 22 VAL H . 19066 1 225 . 1 1 22 22 VAL HA H 1 4.669 0.002 . 1 . 851 . . 22 VAL HA . 19066 1 226 . 1 1 22 22 VAL HB H 1 1.989 0.002 . 1 . 852 . . 22 VAL HB . 19066 1 227 . 1 1 22 22 VAL HG11 H 1 0.720 0.002 . 2 . 1641 . . 22 VAL HG11 . 19066 1 228 . 1 1 22 22 VAL HG12 H 1 0.720 0.002 . 2 . 1641 . . 22 VAL HG12 . 19066 1 229 . 1 1 22 22 VAL HG13 H 1 0.720 0.002 . 2 . 1641 . . 22 VAL HG13 . 19066 1 230 . 1 1 22 22 VAL HG21 H 1 0.731 0.002 . 2 . 1642 . . 22 VAL HG21 . 19066 1 231 . 1 1 22 22 VAL HG22 H 1 0.731 0.002 . 2 . 1642 . . 22 VAL HG22 . 19066 1 232 . 1 1 22 22 VAL HG23 H 1 0.731 0.002 . 2 . 1642 . . 22 VAL HG23 . 19066 1 233 . 1 1 22 22 VAL C C 13 174.719 0.05 . 1 . 661 . . 22 VAL C . 19066 1 234 . 1 1 22 22 VAL CA C 13 58.971 0.05 . 1 . 491 . . 22 VAL CA . 19066 1 235 . 1 1 22 22 VAL CB C 13 34.230 0.05 . 1 . 492 . . 22 VAL CB . 19066 1 236 . 1 1 22 22 VAL CG1 C 13 19.097 0.05 . 2 . 1190 . . 22 VAL CG1 . 19066 1 237 . 1 1 22 22 VAL CG2 C 13 22.088 0.05 . 2 . 1189 . . 22 VAL CG2 . 19066 1 238 . 1 1 22 22 VAL N N 15 116.114 0.01 . 1 . 22 . . 22 VAL N . 19066 1 239 . 1 1 23 23 ASN H H 1 8.918 0.002 . 1 . 312 . . 23 ASN H . 19066 1 240 . 1 1 23 23 ASN HA H 1 4.880 0.002 . 1 . 802 . . 23 ASN HA . 19066 1 241 . 1 1 23 23 ASN HB2 H 1 2.736 0.002 . 1 . 1107 . . 23 ASN HB2 . 19066 1 242 . 1 1 23 23 ASN HB3 H 1 2.736 0.002 . 1 . 803 . . 23 ASN HB3 . 19066 1 243 . 1 1 23 23 ASN HD21 H 1 7.099 0.002 . 1 . 191 . . 23 ASN HD21 . 19066 1 244 . 1 1 23 23 ASN HD22 H 1 7.656 0.002 . 1 . 1567 . . 23 ASN HD22 . 19066 1 245 . 1 1 23 23 ASN C C 13 174.524 0.05 . 1 . 662 . . 23 ASN C . 19066 1 246 . 1 1 23 23 ASN CA C 13 53.196 0.05 . 1 . 489 . . 23 ASN CA . 19066 1 247 . 1 1 23 23 ASN CB C 13 38.648 0.05 . 1 . 490 . . 23 ASN CB . 19066 1 248 . 1 1 23 23 ASN CG C 13 176.938 0.05 . 1 . 1568 . . 23 ASN CG . 19066 1 249 . 1 1 23 23 ASN N N 15 124.267 0.01 . 1 . 313 . . 23 ASN N . 19066 1 250 . 1 1 23 23 ASN ND2 N 15 114.465 0.01 . 1 . 192 . . 23 ASN ND2 . 19066 1 251 . 1 1 24 24 LEU H H 1 9.095 0.002 . 1 . 168 . . 24 LEU H . 19066 1 252 . 1 1 24 24 LEU HA H 1 4.752 0.002 . 1 . 805 . . 24 LEU HA . 19066 1 253 . 1 1 24 24 LEU HB2 H 1 1.323 0.002 . 1 . 1108 . . 24 LEU HB2 . 19066 1 254 . 1 1 24 24 LEU HB3 H 1 1.323 0.002 . 1 . 804 . . 24 LEU HB3 . 19066 1 255 . 1 1 24 24 LEU HG H 1 1.620 0.002 . 1 . 1191 . . 24 LEU HG . 19066 1 256 . 1 1 24 24 LEU HD11 H 1 0.779 0.002 . 2 . 1192 . . 24 LEU HD11 . 19066 1 257 . 1 1 24 24 LEU HD12 H 1 0.779 0.002 . 2 . 1192 . . 24 LEU HD12 . 19066 1 258 . 1 1 24 24 LEU HD13 H 1 0.779 0.002 . 2 . 1192 . . 24 LEU HD13 . 19066 1 259 . 1 1 24 24 LEU HD21 H 1 0.698 0.002 . 2 . 1193 . . 24 LEU HD21 . 19066 1 260 . 1 1 24 24 LEU HD22 H 1 0.698 0.002 . 2 . 1193 . . 24 LEU HD22 . 19066 1 261 . 1 1 24 24 LEU HD23 H 1 0.698 0.002 . 2 . 1193 . . 24 LEU HD23 . 19066 1 262 . 1 1 24 24 LEU C C 13 176.743 0.05 . 1 . 663 . . 24 LEU C . 19066 1 263 . 1 1 24 24 LEU CA C 13 52.733 0.05 . 1 . 517 . . 24 LEU CA . 19066 1 264 . 1 1 24 24 LEU CB C 13 45.834 0.05 . 1 . 518 . . 24 LEU CB . 19066 1 265 . 1 1 24 24 LEU CG C 13 26.698 0.05 . 1 . 1588 . . 24 LEU CG . 19066 1 266 . 1 1 24 24 LEU CD1 C 13 27.142 0.05 . 2 . 1683 . . 24 LEU CD1 . 19066 1 267 . 1 1 24 24 LEU CD2 C 13 24.912 0.05 . 2 . 1480 . . 24 LEU CD2 . 19066 1 268 . 1 1 24 24 LEU N N 15 124.567 0.01 . 1 . 169 . . 24 LEU N . 19066 1 269 . 1 1 25 25 ALA H H 1 7.909 0.002 . 1 . 278 . . 25 ALA H . 19066 1 270 . 1 1 25 25 ALA HA H 1 4.378 0.002 . 1 . 1458 . . 25 ALA HA . 19066 1 271 . 1 1 25 25 ALA HB1 H 1 1.358 0.002 . 1 . 1459 . . 25 ALA HB1 . 19066 1 272 . 1 1 25 25 ALA HB2 H 1 1.358 0.002 . 1 . 1459 . . 25 ALA HB2 . 19066 1 273 . 1 1 25 25 ALA HB3 H 1 1.358 0.002 . 1 . 1459 . . 25 ALA HB3 . 19066 1 274 . 1 1 25 25 ALA CA C 13 50.748 0.05 . 1 . 530 . . 25 ALA CA . 19066 1 275 . 1 1 25 25 ALA CB C 13 17.958 0.05 . 1 . 531 . . 25 ALA CB . 19066 1 276 . 1 1 25 25 ALA N N 15 128.900 0.01 . 1 . 279 . . 25 ALA N . 19066 1 277 . 1 1 26 26 PRO HA H 1 4.503 0.002 . 1 . 806 . . 26 PRO HA . 19066 1 278 . 1 1 26 26 PRO HB2 H 1 2.119 0.002 . 2 . 808 . . 26 PRO HB2 . 19066 1 279 . 1 1 26 26 PRO HB3 H 1 2.306 0.002 . 2 . 807 . . 26 PRO HB3 . 19066 1 280 . 1 1 26 26 PRO HG2 H 1 2.090 0.002 . 1 . 1198 . . 26 PRO HG2 . 19066 1 281 . 1 1 26 26 PRO HG3 H 1 2.090 0.002 . 1 . 1197 . . 26 PRO HG3 . 19066 1 282 . 1 1 26 26 PRO HD2 H 1 3.809 0.002 . 1 . 1196 . . 26 PRO HD2 . 19066 1 283 . 1 1 26 26 PRO HD3 H 1 3.809 0.002 . 1 . 1195 . . 26 PRO HD3 . 19066 1 284 . 1 1 26 26 PRO C C 13 177.400 0.05 . 1 . 664 . . 26 PRO C . 19066 1 285 . 1 1 26 26 PRO CA C 13 64.318 0.05 . 1 . 555 . . 26 PRO CA . 19066 1 286 . 1 1 26 26 PRO CB C 13 32.407 0.05 . 1 . 554 . . 26 PRO CB . 19066 1 287 . 1 1 26 26 PRO CG C 13 27.661 0.05 . 1 . 1194 . . 26 PRO CG . 19066 1 288 . 1 1 26 26 PRO CD C 13 50.591 0.05 . 1 . 1199 . . 26 PRO CD . 19066 1 289 . 1 1 27 27 VAL H H 1 7.350 0.002 . 1 . 112 . . 27 VAL H . 19066 1 290 . 1 1 27 27 VAL HA H 1 5.233 0.002 . 1 . 853 . . 27 VAL HA . 19066 1 291 . 1 1 27 27 VAL HB H 1 1.835 0.002 . 1 . 854 . . 27 VAL HB . 19066 1 292 . 1 1 27 27 VAL HG11 H 1 0.875 0.002 . 2 . 1200 . . 27 VAL HG11 . 19066 1 293 . 1 1 27 27 VAL HG12 H 1 0.875 0.002 . 2 . 1200 . . 27 VAL HG12 . 19066 1 294 . 1 1 27 27 VAL HG13 H 1 0.875 0.002 . 2 . 1200 . . 27 VAL HG13 . 19066 1 295 . 1 1 27 27 VAL HG21 H 1 0.819 0.002 . 2 . 1201 . . 27 VAL HG21 . 19066 1 296 . 1 1 27 27 VAL HG22 H 1 0.819 0.002 . 2 . 1201 . . 27 VAL HG22 . 19066 1 297 . 1 1 27 27 VAL HG23 H 1 0.819 0.002 . 2 . 1201 . . 27 VAL HG23 . 19066 1 298 . 1 1 27 27 VAL C C 13 175.238 0.05 . 1 . 665 . . 27 VAL C . 19066 1 299 . 1 1 27 27 VAL CA C 13 60.255 0.05 . 1 . 404 . . 27 VAL CA . 19066 1 300 . 1 1 27 27 VAL CB C 13 35.839 0.05 . 1 . 405 . . 27 VAL CB . 19066 1 301 . 1 1 27 27 VAL CG1 C 13 21.320 0.05 . 2 . 1685 . . 27 VAL CG1 . 19066 1 302 . 1 1 27 27 VAL CG2 C 13 21.316 0.05 . 2 . 1684 . . 27 VAL CG2 . 19066 1 303 . 1 1 27 27 VAL N N 15 118.074 0.01 . 1 . 113 . . 27 VAL N . 19066 1 304 . 1 1 28 28 VAL H H 1 8.638 0.002 . 1 . 193 . . 28 VAL H . 19066 1 305 . 1 1 28 28 VAL HA H 1 4.241 0.002 . 1 . 855 . . 28 VAL HA . 19066 1 306 . 1 1 28 28 VAL HB H 1 1.892 0.002 . 1 . 856 . . 28 VAL HB . 19066 1 307 . 1 1 28 28 VAL HG11 H 1 0.933 0.002 . 2 . 1174 . . 28 VAL HG11 . 19066 1 308 . 1 1 28 28 VAL HG12 H 1 0.933 0.002 . 2 . 1174 . . 28 VAL HG12 . 19066 1 309 . 1 1 28 28 VAL HG13 H 1 0.933 0.002 . 2 . 1174 . . 28 VAL HG13 . 19066 1 310 . 1 1 28 28 VAL HG21 H 1 0.946 0.002 . 2 . 1173 . . 28 VAL HG21 . 19066 1 311 . 1 1 28 28 VAL HG22 H 1 0.946 0.002 . 2 . 1173 . . 28 VAL HG22 . 19066 1 312 . 1 1 28 28 VAL HG23 H 1 0.946 0.002 . 2 . 1173 . . 28 VAL HG23 . 19066 1 313 . 1 1 28 28 VAL C C 13 172.115 0.05 . 1 . 666 . . 28 VAL C . 19066 1 314 . 1 1 28 28 VAL CA C 13 60.733 0.05 . 1 . 402 . . 28 VAL CA . 19066 1 315 . 1 1 28 28 VAL CB C 13 34.636 0.05 . 1 . 403 . . 28 VAL CB . 19066 1 316 . 1 1 28 28 VAL CG1 C 13 20.811 0.05 . 2 . 1172 . . 28 VAL CG1 . 19066 1 317 . 1 1 28 28 VAL CG2 C 13 21.895 0.05 . 2 . 1171 . . 28 VAL CG2 . 19066 1 318 . 1 1 28 28 VAL N N 15 126.492 0.01 . 1 . 194 . . 28 VAL N . 19066 1 319 . 1 1 29 29 ASN H H 1 8.115 0.002 . 1 . 44 . . 29 ASN H . 19066 1 320 . 1 1 29 29 ASN HA H 1 4.881 0.002 . 1 . 809 . . 29 ASN HA . 19066 1 321 . 1 1 29 29 ASN HB2 H 1 2.711 0.002 . 2 . 811 . . 29 ASN HB2 . 19066 1 322 . 1 1 29 29 ASN HB3 H 1 2.329 0.002 . 2 . 810 . . 29 ASN HB3 . 19066 1 323 . 1 1 29 29 ASN HD21 H 1 7.331 0.002 . 1 . 303 . . 29 ASN HD21 . 19066 1 324 . 1 1 29 29 ASN HD22 H 1 6.834 0.002 . 1 . 164 . . 29 ASN HD22 . 19066 1 325 . 1 1 29 29 ASN C C 13 175.979 0.05 . 1 . 667 . . 29 ASN C . 19066 1 326 . 1 1 29 29 ASN CA C 13 52.805 0.05 . 1 . 423 . . 29 ASN CA . 19066 1 327 . 1 1 29 29 ASN CB C 13 40.416 0.05 . 1 . 424 . . 29 ASN CB . 19066 1 328 . 1 1 29 29 ASN CG C 13 176.748 0.05 . 1 . 784 . . 29 ASN CG . 19066 1 329 . 1 1 29 29 ASN N N 15 121.575 0.01 . 1 . 45 . . 29 ASN N . 19066 1 330 . 1 1 29 29 ASN ND2 N 15 111.558 0.01 . 1 . 165 . . 29 ASN ND2 . 19066 1 331 . 1 1 30 30 VAL H H 1 8.619 0.002 . 1 . 120 . . 30 VAL H . 19066 1 332 . 1 1 30 30 VAL HA H 1 3.498 0.002 . 1 . 857 . . 30 VAL HA . 19066 1 333 . 1 1 30 30 VAL HB H 1 1.905 0.002 . 1 . 858 . . 30 VAL HB . 19066 1 334 . 1 1 30 30 VAL HG11 H 1 0.923 0.002 . 2 . 1202 . . 30 VAL HG11 . 19066 1 335 . 1 1 30 30 VAL HG12 H 1 0.923 0.002 . 2 . 1202 . . 30 VAL HG12 . 19066 1 336 . 1 1 30 30 VAL HG13 H 1 0.923 0.002 . 2 . 1202 . . 30 VAL HG13 . 19066 1 337 . 1 1 30 30 VAL HG21 H 1 0.861 0.002 . 2 . 1203 . . 30 VAL HG21 . 19066 1 338 . 1 1 30 30 VAL HG22 H 1 0.861 0.002 . 2 . 1203 . . 30 VAL HG22 . 19066 1 339 . 1 1 30 30 VAL HG23 H 1 0.861 0.002 . 2 . 1203 . . 30 VAL HG23 . 19066 1 340 . 1 1 30 30 VAL C C 13 177.764 0.05 . 1 . 668 . . 30 VAL C . 19066 1 341 . 1 1 30 30 VAL CA C 13 65.802 0.05 . 1 . 421 . . 30 VAL CA . 19066 1 342 . 1 1 30 30 VAL CB C 13 31.445 0.05 . 1 . 422 . . 30 VAL CB . 19066 1 343 . 1 1 30 30 VAL CG1 C 13 21.983 0.05 . 2 . 1687 . . 30 VAL CG1 . 19066 1 344 . 1 1 30 30 VAL CG2 C 13 21.079 0.05 . 2 . 1686 . . 30 VAL CG2 . 19066 1 345 . 1 1 30 30 VAL N N 15 119.467 0.01 . 1 . 121 . . 30 VAL N . 19066 1 346 . 1 1 31 31 GLY H H 1 8.804 0.002 . 1 . 245 . . 31 GLY H . 19066 1 347 . 1 1 31 31 GLY HA2 H 1 3.613 0.002 . 2 . 859 . . 31 GLY HA2 . 19066 1 348 . 1 1 31 31 GLY HA3 H 1 4.280 0.002 . 2 . 860 . . 31 GLY HA3 . 19066 1 349 . 1 1 31 31 GLY C C 13 173.721 0.05 . 1 . 669 . . 31 GLY C . 19066 1 350 . 1 1 31 31 GLY CA C 13 45.180 0.05 . 1 . 420 . . 31 GLY CA . 19066 1 351 . 1 1 31 31 GLY N N 15 115.204 0.01 . 1 . 246 . . 31 GLY N . 19066 1 352 . 1 1 32 32 GLN H H 1 8.121 0.002 . 1 . 254 . . 32 GLN H . 19066 1 353 . 1 1 32 32 GLN HA H 1 4.603 0.002 . 1 . 812 . . 32 GLN HA . 19066 1 354 . 1 1 32 32 GLN HB2 H 1 2.239 0.002 . 1 . 1109 . . 32 GLN HB2 . 19066 1 355 . 1 1 32 32 GLN HB3 H 1 2.239 0.002 . 1 . 813 . . 32 GLN HB3 . 19066 1 356 . 1 1 32 32 GLN HG2 H 1 2.349 0.002 . 2 . 1677 . . 32 GLN HG2 . 19066 1 357 . 1 1 32 32 GLN HG3 H 1 2.391 0.002 . 2 . 1676 . . 32 GLN HG3 . 19066 1 358 . 1 1 32 32 GLN HE21 H 1 6.927 0.002 . 1 . 54 . . 32 GLN HE21 . 19066 1 359 . 1 1 32 32 GLN HE22 H 1 7.665 0.002 . 1 . 265 . . 32 GLN HE22 . 19066 1 360 . 1 1 32 32 GLN C C 13 174.646 0.05 . 1 . 670 . . 32 GLN C . 19066 1 361 . 1 1 32 32 GLN CA C 13 54.130 0.05 . 1 . 419 . . 32 GLN CA . 19066 1 362 . 1 1 32 32 GLN CB C 13 30.733 0.05 . 1 . 418 . . 32 GLN CB . 19066 1 363 . 1 1 32 32 GLN CG C 13 34.092 0.05 . 1 . 1204 . . 32 GLN CG . 19066 1 364 . 1 1 32 32 GLN CD C 13 180.679 0.05 . 1 . 1574 . . 32 GLN CD . 19066 1 365 . 1 1 32 32 GLN N N 15 119.915 0.01 . 1 . 255 . . 32 GLN N . 19066 1 366 . 1 1 32 32 GLN NE2 N 15 113.157 0.01 . 1 . 55 . . 32 GLN NE2 . 19066 1 367 . 1 1 33 33 ASN H H 1 8.526 0.002 . 1 . 274 . . 33 ASN H . 19066 1 368 . 1 1 33 33 ASN HA H 1 5.379 0.002 . 1 . 816 . . 33 ASN HA . 19066 1 369 . 1 1 33 33 ASN HB2 H 1 2.708 0.002 . 2 . 815 . . 33 ASN HB2 . 19066 1 370 . 1 1 33 33 ASN HB3 H 1 2.275 0.002 . 2 . 814 . . 33 ASN HB3 . 19066 1 371 . 1 1 33 33 ASN HD21 H 1 7.468 0.002 . 1 . 290 . . 33 ASN HD21 . 19066 1 372 . 1 1 33 33 ASN HD22 H 1 6.888 0.002 . 1 . 250 . . 33 ASN HD22 . 19066 1 373 . 1 1 33 33 ASN C C 13 174.913 0.05 . 1 . 671 . . 33 ASN C . 19066 1 374 . 1 1 33 33 ASN CA C 13 52.553 0.05 . 1 . 417 . . 33 ASN CA . 19066 1 375 . 1 1 33 33 ASN CB C 13 40.480 0.05 . 1 . 416 . . 33 ASN CB . 19066 1 376 . 1 1 33 33 ASN CG C 13 175.494 0.05 . 1 . 776 . . 33 ASN CG . 19066 1 377 . 1 1 33 33 ASN N N 15 116.753 0.01 . 1 . 275 . . 33 ASN N . 19066 1 378 . 1 1 33 33 ASN ND2 N 15 112.038 0.01 . 1 . 251 . . 33 ASN ND2 . 19066 1 379 . 1 1 34 34 LEU H H 1 9.849 0.002 . 1 . 299 . . 34 LEU H . 19066 1 380 . 1 1 34 34 LEU HA H 1 4.507 0.002 . 1 . 819 . . 34 LEU HA . 19066 1 381 . 1 1 34 34 LEU HB2 H 1 1.391 0.002 . 2 . 817 . . 34 LEU HB2 . 19066 1 382 . 1 1 34 34 LEU HB3 H 1 1.882 0.002 . 2 . 818 . . 34 LEU HB3 . 19066 1 383 . 1 1 34 34 LEU HG H 1 1.221 0.002 . 1 . 1205 . . 34 LEU HG . 19066 1 384 . 1 1 34 34 LEU HD11 H 1 0.471 0.002 . 2 . 1481 . . 34 LEU HD11 . 19066 1 385 . 1 1 34 34 LEU HD12 H 1 0.471 0.002 . 2 . 1481 . . 34 LEU HD12 . 19066 1 386 . 1 1 34 34 LEU HD13 H 1 0.471 0.002 . 2 . 1481 . . 34 LEU HD13 . 19066 1 387 . 1 1 34 34 LEU HD21 H 1 0.935 0.002 . 2 . 1482 . . 34 LEU HD21 . 19066 1 388 . 1 1 34 34 LEU HD22 H 1 0.935 0.002 . 2 . 1482 . . 34 LEU HD22 . 19066 1 389 . 1 1 34 34 LEU HD23 H 1 0.935 0.002 . 2 . 1482 . . 34 LEU HD23 . 19066 1 390 . 1 1 34 34 LEU C C 13 174.320 0.05 . 1 . 672 . . 34 LEU C . 19066 1 391 . 1 1 34 34 LEU CA C 13 54.183 0.05 . 1 . 415 . . 34 LEU CA . 19066 1 392 . 1 1 34 34 LEU CB C 13 43.595 0.05 . 1 . 414 . . 34 LEU CB . 19066 1 393 . 1 1 34 34 LEU CG C 13 27.266 0.05 . 1 . 1591 . . 34 LEU CG . 19066 1 394 . 1 1 34 34 LEU CD1 C 13 26.634 0.05 . 2 . 1590 . . 34 LEU CD1 . 19066 1 395 . 1 1 34 34 LEU CD2 C 13 24.985 0.05 . 2 . 1589 . . 34 LEU CD2 . 19066 1 396 . 1 1 34 34 LEU N N 15 126.347 0.01 . 1 . 300 . . 34 LEU N . 19066 1 397 . 1 1 35 35 VAL H H 1 8.636 0.002 . 1 . 87 . . 35 VAL H . 19066 1 398 . 1 1 35 35 VAL HA H 1 4.444 0.002 . 1 . 861 . . 35 VAL HA . 19066 1 399 . 1 1 35 35 VAL HB H 1 1.800 0.002 . 1 . 862 . . 35 VAL HB . 19066 1 400 . 1 1 35 35 VAL HG11 H 1 0.412 0.002 . 2 . 1208 . . 35 VAL HG11 . 19066 1 401 . 1 1 35 35 VAL HG12 H 1 0.412 0.002 . 2 . 1208 . . 35 VAL HG12 . 19066 1 402 . 1 1 35 35 VAL HG13 H 1 0.412 0.002 . 2 . 1208 . . 35 VAL HG13 . 19066 1 403 . 1 1 35 35 VAL HG21 H 1 0.589 0.002 . 2 . 1209 . . 35 VAL HG21 . 19066 1 404 . 1 1 35 35 VAL HG22 H 1 0.589 0.002 . 2 . 1209 . . 35 VAL HG22 . 19066 1 405 . 1 1 35 35 VAL HG23 H 1 0.589 0.002 . 2 . 1209 . . 35 VAL HG23 . 19066 1 406 . 1 1 35 35 VAL C C 13 176.260 0.05 . 1 . 673 . . 35 VAL C . 19066 1 407 . 1 1 35 35 VAL CA C 13 61.216 0.05 . 1 . 413 . . 35 VAL CA . 19066 1 408 . 1 1 35 35 VAL CB C 13 32.759 0.05 . 1 . 412 . . 35 VAL CB . 19066 1 409 . 1 1 35 35 VAL CG1 C 13 20.043 0.05 . 2 . 1207 . . 35 VAL CG1 . 19066 1 410 . 1 1 35 35 VAL CG2 C 13 21.379 0.05 . 2 . 1206 . . 35 VAL CG2 . 19066 1 411 . 1 1 35 35 VAL N N 15 127.499 0.01 . 1 . 88 . . 35 VAL N . 19066 1 412 . 1 1 36 36 VAL H H 1 8.947 0.002 . 1 . 56 . . 36 VAL H . 19066 1 413 . 1 1 36 36 VAL HA H 1 4.077 0.002 . 1 . 863 . . 36 VAL HA . 19066 1 414 . 1 1 36 36 VAL HB H 1 1.940 0.002 . 1 . 1704 . . 36 VAL HB . 19066 1 415 . 1 1 36 36 VAL HG11 H 1 0.485 0.002 . 2 . 1212 . . 36 VAL HG11 . 19066 1 416 . 1 1 36 36 VAL HG12 H 1 0.485 0.002 . 2 . 1212 . . 36 VAL HG12 . 19066 1 417 . 1 1 36 36 VAL HG13 H 1 0.485 0.002 . 2 . 1212 . . 36 VAL HG13 . 19066 1 418 . 1 1 36 36 VAL HG21 H 1 0.640 0.002 . 2 . 1213 . . 36 VAL HG21 . 19066 1 419 . 1 1 36 36 VAL HG22 H 1 0.640 0.002 . 2 . 1213 . . 36 VAL HG22 . 19066 1 420 . 1 1 36 36 VAL HG23 H 1 0.640 0.002 . 2 . 1213 . . 36 VAL HG23 . 19066 1 421 . 1 1 36 36 VAL C C 13 174.293 0.05 . 1 . 674 . . 36 VAL C . 19066 1 422 . 1 1 36 36 VAL CA C 13 60.234 0.05 . 1 . 443 . . 36 VAL CA . 19066 1 423 . 1 1 36 36 VAL CB C 13 31.459 0.05 . 1 . 442 . . 36 VAL CB . 19066 1 424 . 1 1 36 36 VAL CG1 C 13 19.231 0.05 . 2 . 1211 . . 36 VAL CG1 . 19066 1 425 . 1 1 36 36 VAL CG2 C 13 21.042 0.05 . 2 . 1210 . . 36 VAL CG2 . 19066 1 426 . 1 1 36 36 VAL N N 15 129.143 0.01 . 1 . 57 . . 36 VAL N . 19066 1 427 . 1 1 37 37 ASP H H 1 8.995 0.002 . 1 . 69 . . 37 ASP H . 19066 1 428 . 1 1 37 37 ASP HA H 1 4.741 0.002 . 1 . 1110 . . 37 ASP HA . 19066 1 429 . 1 1 37 37 ASP HB2 H 1 3.021 0.002 . 2 . 1112 . . 37 ASP HB2 . 19066 1 430 . 1 1 37 37 ASP HB3 H 1 2.289 0.002 . 2 . 1111 . . 37 ASP HB3 . 19066 1 431 . 1 1 37 37 ASP C C 13 176.449 0.05 . 1 . 1095 . . 37 ASP C . 19066 1 432 . 1 1 37 37 ASP CA C 13 53.398 0.05 . 1 . 551 . . 37 ASP CA . 19066 1 433 . 1 1 37 37 ASP CB C 13 40.008 0.05 . 1 . 550 . . 37 ASP CB . 19066 1 434 . 1 1 37 37 ASP N N 15 126.526 0.01 . 1 . 70 . . 37 ASP N . 19066 1 435 . 1 1 38 38 LEU H H 1 8.508 0.002 . 1 . 583 . . 38 LEU H . 19066 1 436 . 1 1 38 38 LEU HA H 1 4.264 0.002 . 1 . 865 . . 38 LEU HA . 19066 1 437 . 1 1 38 38 LEU HB2 H 1 1.652 0.002 . 2 . 866 . . 38 LEU HB2 . 19066 1 438 . 1 1 38 38 LEU HB3 H 1 1.818 0.002 . 2 . 867 . . 38 LEU HB3 . 19066 1 439 . 1 1 38 38 LEU HG H 1 1.557 0.002 . 1 . 1214 . . 38 LEU HG . 19066 1 440 . 1 1 38 38 LEU HD11 H 1 0.693 0.002 . 2 . 1486 . . 38 LEU HD11 . 19066 1 441 . 1 1 38 38 LEU HD12 H 1 0.693 0.002 . 2 . 1486 . . 38 LEU HD12 . 19066 1 442 . 1 1 38 38 LEU HD13 H 1 0.693 0.002 . 2 . 1486 . . 38 LEU HD13 . 19066 1 443 . 1 1 38 38 LEU HD21 H 1 0.681 0.002 . 2 . 1485 . . 38 LEU HD21 . 19066 1 444 . 1 1 38 38 LEU HD22 H 1 0.681 0.002 . 2 . 1485 . . 38 LEU HD22 . 19066 1 445 . 1 1 38 38 LEU HD23 H 1 0.681 0.002 . 2 . 1485 . . 38 LEU HD23 . 19066 1 446 . 1 1 38 38 LEU C C 13 177.832 0.05 . 1 . 675 . . 38 LEU C . 19066 1 447 . 1 1 38 38 LEU CA C 13 54.916 0.05 . 1 . 588 . . 38 LEU CA . 19066 1 448 . 1 1 38 38 LEU CB C 13 39.633 0.05 . 1 . 587 . . 38 LEU CB . 19066 1 449 . 1 1 38 38 LEU CG C 13 27.522 0.05 . 1 . 1717 . . 38 LEU CG . 19066 1 450 . 1 1 38 38 LEU CD1 C 13 25.105 0.05 . 2 . 1484 . . 38 LEU CD1 . 19066 1 451 . 1 1 38 38 LEU CD2 C 13 23.789 0.05 . 2 . 1483 . . 38 LEU CD2 . 19066 1 452 . 1 1 38 38 LEU N N 15 125.426 0.01 . 1 . 584 . . 38 LEU N . 19066 1 453 . 1 1 39 39 SER H H 1 8.722 0.002 . 1 . 156 . . 39 SER H . 19066 1 454 . 1 1 39 39 SER HA H 1 4.513 0.002 . 1 . 820 . . 39 SER HA . 19066 1 455 . 1 1 39 39 SER HB2 H 1 3.905 0.002 . 1 . 1113 . . 39 SER HB2 . 19066 1 456 . 1 1 39 39 SER HB3 H 1 3.905 0.002 . 1 . 821 . . 39 SER HB3 . 19066 1 457 . 1 1 39 39 SER C C 13 174.103 0.05 . 1 . 676 . . 39 SER C . 19066 1 458 . 1 1 39 39 SER CA C 13 61.133 0.05 . 1 . 349 . . 39 SER CA . 19066 1 459 . 1 1 39 39 SER CB C 13 63.328 0.05 . 1 . 348 . . 39 SER CB . 19066 1 460 . 1 1 39 39 SER N N 15 120.274 0.01 . 1 . 157 . . 39 SER N . 19066 1 461 . 1 1 40 40 THR H H 1 6.657 0.002 . 1 . 7 . . 40 THR H . 19066 1 462 . 1 1 40 40 THR HA H 1 4.421 0.002 . 1 . 1215 . . 40 THR HA . 19066 1 463 . 1 1 40 40 THR HB H 1 4.537 0.002 . 1 . 1216 . . 40 THR HB . 19066 1 464 . 1 1 40 40 THR HG21 H 1 1.196 0.002 . 1 . 1252 . . 40 THR HG21 . 19066 1 465 . 1 1 40 40 THR HG22 H 1 1.196 0.002 . 1 . 1252 . . 40 THR HG22 . 19066 1 466 . 1 1 40 40 THR HG23 H 1 1.196 0.002 . 1 . 1252 . . 40 THR HG23 . 19066 1 467 . 1 1 40 40 THR C C 13 174.704 0.05 . 1 . 1097 . . 40 THR C . 19066 1 468 . 1 1 40 40 THR CA C 13 61.006 0.05 . 1 . 570 . . 40 THR CA . 19066 1 469 . 1 1 40 40 THR CB C 13 69.071 0.05 . 1 . 569 . . 40 THR CB . 19066 1 470 . 1 1 40 40 THR CG2 C 13 22.153 0.05 . 1 . 1253 . . 40 THR CG2 . 19066 1 471 . 1 1 40 40 THR N N 15 105.559 0.01 . 1 . 8 . . 40 THR N . 19066 1 472 . 1 1 41 41 GLN H H 1 7.583 0.002 . 1 . 130 . . 41 GLN H . 19066 1 473 . 1 1 41 41 GLN HA H 1 4.668 0.002 . 1 . 868 . . 41 GLN HA . 19066 1 474 . 1 1 41 41 GLN HB2 H 1 2.362 0.002 . 2 . 870 . . 41 GLN HB2 . 19066 1 475 . 1 1 41 41 GLN HB3 H 1 1.751 0.002 . 2 . 869 . . 41 GLN HB3 . 19066 1 476 . 1 1 41 41 GLN HG2 H 1 2.469 0.002 . 1 . 1735 . . 41 GLN HG2 . 19066 1 477 . 1 1 41 41 GLN HG3 H 1 2.469 0.002 . 1 . 1713 . . 41 GLN HG3 . 19066 1 478 . 1 1 41 41 GLN HE21 H 1 7.488 0.002 . 1 . 197 . . 41 GLN HE21 . 19066 1 479 . 1 1 41 41 GLN HE22 H 1 6.809 0.002 . 1 . 9 . . 41 GLN HE22 . 19066 1 480 . 1 1 41 41 GLN C C 13 173.976 0.05 . 1 . 677 . . 41 GLN C . 19066 1 481 . 1 1 41 41 GLN CA C 13 55.886 0.05 . 1 . 593 . . 41 GLN CA . 19066 1 482 . 1 1 41 41 GLN CB C 13 32.770 0.05 . 1 . 594 . . 41 GLN CB . 19066 1 483 . 1 1 41 41 GLN CD C 13 178.285 0.05 . 1 . 1575 . . 41 GLN CD . 19066 1 484 . 1 1 41 41 GLN N N 15 117.277 0.01 . 1 . 131 . . 41 GLN N . 19066 1 485 . 1 1 41 41 GLN NE2 N 15 112.416 0.01 . 1 . 1573 . . 41 GLN NE2 . 19066 1 486 . 1 1 42 42 ILE H H 1 7.214 0.002 . 1 . 286 . . 42 ILE H . 19066 1 487 . 1 1 42 42 ILE HA H 1 4.018 0.002 . 1 . 872 . . 42 ILE HA . 19066 1 488 . 1 1 42 42 ILE HB H 1 1.370 0.002 . 1 . 871 . . 42 ILE HB . 19066 1 489 . 1 1 42 42 ILE HG12 H 1 1.204 0.002 . 1 . 1369 . . 42 ILE HG12 . 19066 1 490 . 1 1 42 42 ILE HG13 H 1 1.204 0.002 . 1 . 1370 . . 42 ILE HG13 . 19066 1 491 . 1 1 42 42 ILE HG21 H 1 -0.141 0.002 . 1 . 1221 . . 42 ILE HG21 . 19066 1 492 . 1 1 42 42 ILE HG22 H 1 -0.141 0.002 . 1 . 1221 . . 42 ILE HG22 . 19066 1 493 . 1 1 42 42 ILE HG23 H 1 -0.141 0.002 . 1 . 1221 . . 42 ILE HG23 . 19066 1 494 . 1 1 42 42 ILE HD11 H 1 0.087 0.002 . 1 . 1220 . . 42 ILE HD11 . 19066 1 495 . 1 1 42 42 ILE HD12 H 1 0.087 0.002 . 1 . 1220 . . 42 ILE HD12 . 19066 1 496 . 1 1 42 42 ILE HD13 H 1 0.087 0.002 . 1 . 1220 . . 42 ILE HD13 . 19066 1 497 . 1 1 42 42 ILE C C 13 172.440 0.05 . 1 . 678 . . 42 ILE C . 19066 1 498 . 1 1 42 42 ILE CA C 13 61.379 0.05 . 1 . 329 . . 42 ILE CA . 19066 1 499 . 1 1 42 42 ILE CB C 13 40.713 0.05 . 1 . 330 . . 42 ILE CB . 19066 1 500 . 1 1 42 42 ILE CG1 C 13 27.109 0.05 . 1 . 1217 . . 42 ILE CG1 . 19066 1 501 . 1 1 42 42 ILE CG2 C 13 17.294 0.05 . 1 . 1218 . . 42 ILE CG2 . 19066 1 502 . 1 1 42 42 ILE CD1 C 13 14.041 0.05 . 1 . 1219 . . 42 ILE CD1 . 19066 1 503 . 1 1 42 42 ILE N N 15 118.052 0.01 . 1 . 287 . . 42 ILE N . 19066 1 504 . 1 1 43 43 PHE H H 1 8.554 0.002 . 1 . 209 . . 43 PHE H . 19066 1 505 . 1 1 43 43 PHE HA H 1 5.049 0.002 . 1 . 822 . . 43 PHE HA . 19066 1 506 . 1 1 43 43 PHE HB2 H 1 2.647 0.002 . 1 . 823 . . 43 PHE HB2 . 19066 1 507 . 1 1 43 43 PHE HB3 H 1 2.647 0.002 . 1 . 1114 . . 43 PHE HB3 . 19066 1 508 . 1 1 43 43 PHE HD1 H 1 6.755 0.002 . 3 . 1305 . . 43 PHE HD1 . 19066 1 509 . 1 1 43 43 PHE HD2 H 1 6.755 0.002 . 3 . 1306 . . 43 PHE HD2 . 19066 1 510 . 1 1 43 43 PHE HE1 H 1 7.072 0.002 . 3 . 1307 . . 43 PHE HE1 . 19066 1 511 . 1 1 43 43 PHE HE2 H 1 7.072 0.002 . 3 . 1308 . . 43 PHE HE2 . 19066 1 512 . 1 1 43 43 PHE C C 13 175.301 0.05 . 1 . 679 . . 43 PHE C . 19066 1 513 . 1 1 43 43 PHE CA C 13 55.338 0.05 . 1 . 327 . . 43 PHE CA . 19066 1 514 . 1 1 43 43 PHE CB C 13 43.139 0.05 . 1 . 328 . . 43 PHE CB . 19066 1 515 . 1 1 43 43 PHE CD1 C 13 131.281 0.05 . 3 . 1311 . . 43 PHE CD1 . 19066 1 516 . 1 1 43 43 PHE CD2 C 13 131.281 0.05 . 3 . 1312 . . 43 PHE CD2 . 19066 1 517 . 1 1 43 43 PHE CE1 C 13 131.115 0.05 . 3 . 1637 . . 43 PHE CE1 . 19066 1 518 . 1 1 43 43 PHE CE2 C 13 131.115 0.05 . 3 . 1638 . . 43 PHE CE2 . 19066 1 519 . 1 1 43 43 PHE N N 15 123.479 0.01 . 1 . 210 . . 43 PHE N . 19066 1 520 . 1 1 44 44 CYS H H 1 9.198 0.002 . 1 . 1 . . 44 CYS H . 19066 1 521 . 1 1 44 44 CYS HA H 1 5.288 0.002 . 1 . 826 . . 44 CYS HA . 19066 1 522 . 1 1 44 44 CYS HB2 H 1 1.846 0.002 . 2 . 824 . . 44 CYS HB2 . 19066 1 523 . 1 1 44 44 CYS HB3 H 1 2.051 0.002 . 2 . 825 . . 44 CYS HB3 . 19066 1 524 . 1 1 44 44 CYS C C 13 172.702 0.05 . 1 . 680 . . 44 CYS C . 19066 1 525 . 1 1 44 44 CYS CA C 13 55.866 0.05 . 1 . 326 . . 44 CYS CA . 19066 1 526 . 1 1 44 44 CYS CB C 13 49.896 0.05 . 1 . 325 . . 44 CYS CB . 19066 1 527 . 1 1 44 44 CYS N N 15 117.985 0.01 . 1 . 2 . . 44 CYS N . 19066 1 528 . 1 1 45 45 HIS H H 1 7.449 0.002 . 1 . 234 . . 45 HIS H . 19066 1 529 . 1 1 45 45 HIS HA H 1 5.520 0.002 . 1 . 1464 . . 45 HIS HA . 19066 1 530 . 1 1 45 45 HIS HB2 H 1 3.050 0.002 . 2 . 1620 . . 45 HIS HB2 . 19066 1 531 . 1 1 45 45 HIS HB3 H 1 2.935 0.002 . 2 . 1619 . . 45 HIS HB3 . 19066 1 532 . 1 1 45 45 HIS HD2 H 1 6.427 0.002 . 1 . 1092 . . 45 HIS HD2 . 19066 1 533 . 1 1 45 45 HIS HE1 H 1 8.393 0.002 . 1 . 1162 . . 45 HIS HE1 . 19066 1 534 . 1 1 45 45 HIS C C 13 169.785 0.05 . 1 . 777 . . 45 HIS C . 19066 1 535 . 1 1 45 45 HIS CA C 13 55.408 0.05 . 1 . 595 . . 45 HIS CA . 19066 1 536 . 1 1 45 45 HIS CB C 13 31.764 0.05 . 1 . 596 . . 45 HIS CB . 19066 1 537 . 1 1 45 45 HIS CD2 C 13 120.083 0.05 . 1 . 1160 . . 45 HIS CD2 . 19066 1 538 . 1 1 45 45 HIS CE1 C 13 134.758 0.05 . 1 . 1163 . . 45 HIS CE1 . 19066 1 539 . 1 1 45 45 HIS N N 15 112.466 0.01 . 1 . 235 . . 45 HIS N . 19066 1 540 . 1 1 46 46 ASN H H 1 7.765 0.002 . 1 . 618 . . 46 ASN H . 19066 1 541 . 1 1 46 46 ASN HA H 1 4.881 0.002 . 1 . 873 . . 46 ASN HA . 19066 1 542 . 1 1 46 46 ASN HB2 H 1 2.577 0.002 . 2 . 1732 . . 46 ASN HB2 . 19066 1 543 . 1 1 46 46 ASN HB3 H 1 2.290 0.002 . 2 . 1731 . . 46 ASN HB3 . 19066 1 544 . 1 1 46 46 ASN C C 13 175.810 0.05 . 1 . 778 . . 46 ASN C . 19066 1 545 . 1 1 46 46 ASN CA C 13 51.861 0.05 . 1 . 621 . . 46 ASN CA . 19066 1 546 . 1 1 46 46 ASN CB C 13 41.078 0.05 . 1 . 620 . . 46 ASN CB . 19066 1 547 . 1 1 46 46 ASN N N 15 118.642 0.01 . 1 . 619 . . 46 ASN N . 19066 1 548 . 1 1 47 47 ASP H H 1 9.016 0.002 . 1 . 622 . . 47 ASP H . 19066 1 549 . 1 1 47 47 ASP HA H 1 4.677 0.002 . 1 . 874 . . 47 ASP HA . 19066 1 550 . 1 1 47 47 ASP HB2 H 1 2.326 0.002 . 2 . 1727 . . 47 ASP HB2 . 19066 1 551 . 1 1 47 47 ASP HB3 H 1 1.855 0.002 . 2 . 1726 . . 47 ASP HB3 . 19066 1 552 . 1 1 47 47 ASP C C 13 175.586 0.05 . 1 . 681 . . 47 ASP C . 19066 1 553 . 1 1 47 47 ASP CA C 13 57.130 0.05 . 1 . 625 . . 47 ASP CA . 19066 1 554 . 1 1 47 47 ASP CB C 13 44.772 0.05 . 1 . 624 . . 47 ASP CB . 19066 1 555 . 1 1 47 47 ASP N N 15 123.392 0.01 . 1 . 623 . . 47 ASP N . 19066 1 556 . 1 1 48 48 TYR H H 1 9.173 0.002 . 1 . 30 . . 48 TYR H . 19066 1 557 . 1 1 48 48 TYR HA H 1 4.976 0.002 . 1 . 1733 . . 48 TYR HA . 19066 1 558 . 1 1 48 48 TYR HB2 H 1 2.653 0.002 . 2 . 1734 . . 48 TYR HB2 . 19066 1 559 . 1 1 48 48 TYR HB3 H 1 3.217 0.002 . 2 . 1281 . . 48 TYR HB3 . 19066 1 560 . 1 1 48 48 TYR HD1 H 1 7.148 0.002 . 3 . 1282 . . 48 TYR HD1 . 19066 1 561 . 1 1 48 48 TYR HD2 H 1 7.148 0.002 . 3 . 1283 . . 48 TYR HD2 . 19066 1 562 . 1 1 48 48 TYR HE1 H 1 6.787 0.002 . 3 . 1290 . . 48 TYR HE1 . 19066 1 563 . 1 1 48 48 TYR HE2 H 1 6.787 0.002 . 3 . 1291 . . 48 TYR HE2 . 19066 1 564 . 1 1 48 48 TYR CA C 13 55.589 0.05 . 1 . 627 . . 48 TYR CA . 19066 1 565 . 1 1 48 48 TYR CB C 13 39.058 0.05 . 1 . 626 . . 48 TYR CB . 19066 1 566 . 1 1 48 48 TYR CD1 C 13 133.993 0.05 . 3 . 1286 . . 48 TYR CD1 . 19066 1 567 . 1 1 48 48 TYR CD2 C 13 133.993 0.05 . 3 . 1287 . . 48 TYR CD2 . 19066 1 568 . 1 1 48 48 TYR CE1 C 13 117.852 0.05 . 3 . 1292 . . 48 TYR CE1 . 19066 1 569 . 1 1 48 48 TYR CE2 C 13 117.852 0.05 . 3 . 1293 . . 48 TYR CE2 . 19066 1 570 . 1 1 48 48 TYR N N 15 118.785 0.01 . 1 . 31 . . 48 TYR N . 19066 1 571 . 1 1 49 49 PRO HA H 1 4.597 0.002 . 1 . 827 . . 49 PRO HA . 19066 1 572 . 1 1 49 49 PRO HB2 H 1 2.011 0.002 . 2 . 828 . . 49 PRO HB2 . 19066 1 573 . 1 1 49 49 PRO HB3 H 1 1.486 0.002 . 2 . 829 . . 49 PRO HB3 . 19066 1 574 . 1 1 49 49 PRO HG2 H 1 1.863 0.002 . 1 . 1473 . . 49 PRO HG2 . 19066 1 575 . 1 1 49 49 PRO HG3 H 1 1.863 0.002 . 1 . 1474 . . 49 PRO HG3 . 19066 1 576 . 1 1 49 49 PRO HD2 H 1 3.209 0.002 . 2 . 1472 . . 49 PRO HD2 . 19066 1 577 . 1 1 49 49 PRO HD3 H 1 3.422 0.002 . 2 . 1470 . . 49 PRO HD3 . 19066 1 578 . 1 1 49 49 PRO C C 13 177.657 0.05 . 1 . 682 . . 49 PRO C . 19066 1 579 . 1 1 49 49 PRO CA C 13 64.690 0.05 . 1 . 613 . . 49 PRO CA . 19066 1 580 . 1 1 49 49 PRO CB C 13 31.619 0.05 . 1 . 612 . . 49 PRO CB . 19066 1 581 . 1 1 49 49 PRO CG C 13 27.670 0.05 . 1 . 1475 . . 49 PRO CG . 19066 1 582 . 1 1 49 49 PRO CD C 13 49.413 0.05 . 1 . 1471 . . 49 PRO CD . 19066 1 583 . 1 1 50 50 GLU H H 1 9.030 0.002 . 1 . 241 . . 50 GLU H . 19066 1 584 . 1 1 50 50 GLU HA H 1 4.083 0.002 . 1 . 876 . . 50 GLU HA . 19066 1 585 . 1 1 50 50 GLU HB2 H 1 2.057 0.002 . 1 . 1115 . . 50 GLU HB2 . 19066 1 586 . 1 1 50 50 GLU HB3 H 1 2.057 0.002 . 1 . 875 . . 50 GLU HB3 . 19066 1 587 . 1 1 50 50 GLU HG2 H 1 2.538 0.002 . 2 . 1224 . . 50 GLU HG2 . 19066 1 588 . 1 1 50 50 GLU HG3 H 1 2.308 0.002 . 2 . 1223 . . 50 GLU HG3 . 19066 1 589 . 1 1 50 50 GLU C C 13 177.681 0.05 . 1 . 683 . . 50 GLU C . 19066 1 590 . 1 1 50 50 GLU CA C 13 59.587 0.05 . 1 . 607 . . 50 GLU CA . 19066 1 591 . 1 1 50 50 GLU CB C 13 28.786 0.05 . 1 . 608 . . 50 GLU CB . 19066 1 592 . 1 1 50 50 GLU CG C 13 36.907 0.05 . 1 . 1222 . . 50 GLU CG . 19066 1 593 . 1 1 50 50 GLU N N 15 118.686 0.01 . 1 . 242 . . 50 GLU N . 19066 1 594 . 1 1 51 51 THR H H 1 7.523 0.002 . 1 . 166 . . 51 THR H . 19066 1 595 . 1 1 51 51 THR HA H 1 4.465 0.002 . 1 . 1116 . . 51 THR HA . 19066 1 596 . 1 1 51 51 THR HB H 1 3.951 0.002 . 1 . 1117 . . 51 THR HB . 19066 1 597 . 1 1 51 51 THR HG21 H 1 1.042 0.002 . 1 . 1225 . . 51 THR HG21 . 19066 1 598 . 1 1 51 51 THR HG22 H 1 1.042 0.002 . 1 . 1225 . . 51 THR HG22 . 19066 1 599 . 1 1 51 51 THR HG23 H 1 1.042 0.002 . 1 . 1225 . . 51 THR HG23 . 19066 1 600 . 1 1 51 51 THR C C 13 173.905 0.05 . 1 . 684 . . 51 THR C . 19066 1 601 . 1 1 51 51 THR CA C 13 61.897 0.05 . 1 . 400 . . 51 THR CA . 19066 1 602 . 1 1 51 51 THR CB C 13 71.157 0.05 . 1 . 401 . . 51 THR CB . 19066 1 603 . 1 1 51 51 THR CG2 C 13 22.734 0.05 . 1 . 1263 . . 51 THR CG2 . 19066 1 604 . 1 1 51 51 THR N N 15 106.037 0.01 . 1 . 167 . . 51 THR N . 19066 1 605 . 1 1 52 52 ILE H H 1 8.286 0.002 . 1 . 272 . . 52 ILE H . 19066 1 606 . 1 1 52 52 ILE HA H 1 4.331 0.002 . 1 . 878 . . 52 ILE HA . 19066 1 607 . 1 1 52 52 ILE HB H 1 1.840 0.002 . 1 . 877 . . 52 ILE HB . 19066 1 608 . 1 1 52 52 ILE HG12 H 1 1.408 0.002 . 2 . 1737 . . 52 ILE HG12 . 19066 1 609 . 1 1 52 52 ILE HG13 H 1 0.603 0.002 . 2 . 1736 . . 52 ILE HG13 . 19066 1 610 . 1 1 52 52 ILE HG21 H 1 0.875 0.002 . 1 . 1228 . . 52 ILE HG21 . 19066 1 611 . 1 1 52 52 ILE HG22 H 1 0.875 0.002 . 1 . 1228 . . 52 ILE HG22 . 19066 1 612 . 1 1 52 52 ILE HG23 H 1 0.875 0.002 . 1 . 1228 . . 52 ILE HG23 . 19066 1 613 . 1 1 52 52 ILE HD11 H 1 0.457 0.002 . 1 . 1367 . . 52 ILE HD11 . 19066 1 614 . 1 1 52 52 ILE HD12 H 1 0.457 0.002 . 1 . 1367 . . 52 ILE HD12 . 19066 1 615 . 1 1 52 52 ILE HD13 H 1 0.457 0.002 . 1 . 1367 . . 52 ILE HD13 . 19066 1 616 . 1 1 52 52 ILE C C 13 175.532 0.05 . 1 . 685 . . 52 ILE C . 19066 1 617 . 1 1 52 52 ILE CA C 13 61.387 0.05 . 1 . 399 . . 52 ILE CA . 19066 1 618 . 1 1 52 52 ILE CB C 13 41.230 0.05 . 1 . 398 . . 52 ILE CB . 19066 1 619 . 1 1 52 52 ILE CG1 C 13 27.645 0.05 . 1 . 1226 . . 52 ILE CG1 . 19066 1 620 . 1 1 52 52 ILE CG2 C 13 18.529 0.05 . 1 . 1227 . . 52 ILE CG2 . 19066 1 621 . 1 1 52 52 ILE CD1 C 13 13.505 0.05 . 1 . 1368 . . 52 ILE CD1 . 19066 1 622 . 1 1 52 52 ILE N N 15 123.927 0.01 . 1 . 273 . . 52 ILE N . 19066 1 623 . 1 1 53 53 THR H H 1 8.511 0.002 . 1 . 36 . . 53 THR H . 19066 1 624 . 1 1 53 53 THR HA H 1 3.840 0.002 . 1 . 1118 . . 53 THR HA . 19066 1 625 . 1 1 53 53 THR HB H 1 3.422 0.002 . 1 . 1119 . . 53 THR HB . 19066 1 626 . 1 1 53 53 THR HG21 H 1 0.930 0.002 . 1 . 1254 . . 53 THR HG21 . 19066 1 627 . 1 1 53 53 THR HG22 H 1 0.930 0.002 . 1 . 1254 . . 53 THR HG22 . 19066 1 628 . 1 1 53 53 THR HG23 H 1 0.930 0.002 . 1 . 1254 . . 53 THR HG23 . 19066 1 629 . 1 1 53 53 THR C C 13 170.989 0.05 . 1 . 686 . . 53 THR C . 19066 1 630 . 1 1 53 53 THR CA C 13 63.289 0.05 . 1 . 506 . . 53 THR CA . 19066 1 631 . 1 1 53 53 THR CB C 13 70.061 0.05 . 1 . 505 . . 53 THR CB . 19066 1 632 . 1 1 53 53 THR CG2 C 13 23.448 0.05 . 1 . 1255 . . 53 THR CG2 . 19066 1 633 . 1 1 53 53 THR N N 15 124.062 0.01 . 1 . 37 . . 53 THR N . 19066 1 634 . 1 1 54 54 ASP H H 1 6.898 0.002 . 1 . 189 . . 54 ASP H . 19066 1 635 . 1 1 54 54 ASP HA H 1 5.224 0.002 . 1 . 879 . . 54 ASP HA . 19066 1 636 . 1 1 54 54 ASP HB2 H 1 2.802 0.002 . 2 . 1691 . . 54 ASP HB2 . 19066 1 637 . 1 1 54 54 ASP HB3 H 1 2.124 0.002 . 2 . 1690 . . 54 ASP HB3 . 19066 1 638 . 1 1 54 54 ASP C C 13 174.508 0.05 . 1 . 687 . . 54 ASP C . 19066 1 639 . 1 1 54 54 ASP CA C 13 54.136 0.05 . 1 . 503 . . 54 ASP CA . 19066 1 640 . 1 1 54 54 ASP CB C 13 44.055 0.05 . 1 . 504 . . 54 ASP CB . 19066 1 641 . 1 1 54 54 ASP N N 15 124.873 0.01 . 1 . 190 . . 54 ASP N . 19066 1 642 . 1 1 55 55 TYR H H 1 8.799 0.002 . 1 . 306 . . 55 TYR H . 19066 1 643 . 1 1 55 55 TYR HA H 1 5.344 0.002 . 1 . 882 . . 55 TYR HA . 19066 1 644 . 1 1 55 55 TYR HB2 H 1 3.092 0.002 . 2 . 881 . . 55 TYR HB2 . 19066 1 645 . 1 1 55 55 TYR HB3 H 1 2.545 0.002 . 2 . 880 . . 55 TYR HB3 . 19066 1 646 . 1 1 55 55 TYR HD1 H 1 6.776 0.002 . 3 . 1269 . . 55 TYR HD1 . 19066 1 647 . 1 1 55 55 TYR HD2 H 1 6.776 0.002 . 3 . 1270 . . 55 TYR HD2 . 19066 1 648 . 1 1 55 55 TYR HE1 H 1 6.573 0.002 . 3 . 1271 . . 55 TYR HE1 . 19066 1 649 . 1 1 55 55 TYR HE2 H 1 6.573 0.002 . 3 . 1272 . . 55 TYR HE2 . 19066 1 650 . 1 1 55 55 TYR C C 13 176.024 0.05 . 1 . 688 . . 55 TYR C . 19066 1 651 . 1 1 55 55 TYR CA C 13 54.795 0.05 . 1 . 502 . . 55 TYR CA . 19066 1 652 . 1 1 55 55 TYR CB C 13 40.401 0.05 . 1 . 501 . . 55 TYR CB . 19066 1 653 . 1 1 55 55 TYR CD1 C 13 132.310 0.05 . 3 . 1301 . . 55 TYR CD1 . 19066 1 654 . 1 1 55 55 TYR CD2 C 13 132.310 0.05 . 3 . 1302 . . 55 TYR CD2 . 19066 1 655 . 1 1 55 55 TYR CE1 C 13 118.235 0.05 . 3 . 1303 . . 55 TYR CE1 . 19066 1 656 . 1 1 55 55 TYR CE2 C 13 118.235 0.05 . 3 . 1304 . . 55 TYR CE2 . 19066 1 657 . 1 1 55 55 TYR N N 15 121.043 0.01 . 1 . 307 . . 55 TYR N . 19066 1 658 . 1 1 56 56 VAL H H 1 9.270 0.002 . 1 . 200 . . 56 VAL H . 19066 1 659 . 1 1 56 56 VAL HA H 1 5.412 0.002 . 1 . 884 . . 56 VAL HA . 19066 1 660 . 1 1 56 56 VAL HB H 1 2.194 0.002 . 1 . 883 . . 56 VAL HB . 19066 1 661 . 1 1 56 56 VAL HG11 H 1 0.502 0.002 . 2 . 1230 . . 56 VAL HG11 . 19066 1 662 . 1 1 56 56 VAL HG12 H 1 0.502 0.002 . 2 . 1230 . . 56 VAL HG12 . 19066 1 663 . 1 1 56 56 VAL HG13 H 1 0.502 0.002 . 2 . 1230 . . 56 VAL HG13 . 19066 1 664 . 1 1 56 56 VAL HG21 H 1 1.018 0.002 . 2 . 1229 . . 56 VAL HG21 . 19066 1 665 . 1 1 56 56 VAL HG22 H 1 1.018 0.002 . 2 . 1229 . . 56 VAL HG22 . 19066 1 666 . 1 1 56 56 VAL HG23 H 1 1.018 0.002 . 2 . 1229 . . 56 VAL HG23 . 19066 1 667 . 1 1 56 56 VAL C C 13 177.388 0.05 . 1 . 689 . . 56 VAL C . 19066 1 668 . 1 1 56 56 VAL CA C 13 61.087 0.05 . 1 . 500 . . 56 VAL CA . 19066 1 669 . 1 1 56 56 VAL CB C 13 36.035 0.05 . 1 . 499 . . 56 VAL CB . 19066 1 670 . 1 1 56 56 VAL CG1 C 13 24.750 0.05 . 2 . 1697 . . 56 VAL CG1 . 19066 1 671 . 1 1 56 56 VAL CG2 C 13 22.381 0.05 . 2 . 1696 . . 56 VAL CG2 . 19066 1 672 . 1 1 56 56 VAL N N 15 121.414 0.01 . 1 . 201 . . 56 VAL N . 19066 1 673 . 1 1 57 57 THR H H 1 9.646 0.002 . 1 . 176 . . 57 THR H . 19066 1 674 . 1 1 57 57 THR HA H 1 4.643 0.002 . 1 . 886 . . 57 THR HA . 19066 1 675 . 1 1 57 57 THR HB H 1 4.101 0.002 . 1 . 885 . . 57 THR HB . 19066 1 676 . 1 1 57 57 THR HG21 H 1 1.000 0.002 . 1 . 1256 . . 57 THR HG21 . 19066 1 677 . 1 1 57 57 THR HG22 H 1 1.000 0.002 . 1 . 1256 . . 57 THR HG22 . 19066 1 678 . 1 1 57 57 THR HG23 H 1 1.000 0.002 . 1 . 1256 . . 57 THR HG23 . 19066 1 679 . 1 1 57 57 THR C C 13 173.913 0.05 . 1 . 690 . . 57 THR C . 19066 1 680 . 1 1 57 57 THR CA C 13 59.728 0.05 . 1 . 524 . . 57 THR CA . 19066 1 681 . 1 1 57 57 THR CB C 13 71.055 0.05 . 1 . 525 . . 57 THR CB . 19066 1 682 . 1 1 57 57 THR CG2 C 13 23.420 0.05 . 1 . 1257 . . 57 THR CG2 . 19066 1 683 . 1 1 57 57 THR N N 15 123.630 0.01 . 1 . 177 . . 57 THR N . 19066 1 684 . 1 1 58 58 LEU H H 1 7.430 0.002 . 1 . 108 . . 58 LEU H . 19066 1 685 . 1 1 58 58 LEU HA H 1 5.186 0.002 . 1 . 889 . . 58 LEU HA . 19066 1 686 . 1 1 58 58 LEU HB2 H 1 1.535 0.002 . 2 . 888 . . 58 LEU HB2 . 19066 1 687 . 1 1 58 58 LEU HB3 H 1 0.629 0.002 . 2 . 887 . . 58 LEU HB3 . 19066 1 688 . 1 1 58 58 LEU HG H 1 1.307 0.002 . 1 . 1705 . . 58 LEU HG . 19066 1 689 . 1 1 58 58 LEU HD11 H 1 1.056 0.002 . 2 . 1488 . . 58 LEU HD11 . 19066 1 690 . 1 1 58 58 LEU HD12 H 1 1.056 0.002 . 2 . 1488 . . 58 LEU HD12 . 19066 1 691 . 1 1 58 58 LEU HD13 H 1 1.056 0.002 . 2 . 1488 . . 58 LEU HD13 . 19066 1 692 . 1 1 58 58 LEU HD21 H 1 0.658 0.002 . 2 . 1489 . . 58 LEU HD21 . 19066 1 693 . 1 1 58 58 LEU HD22 H 1 0.658 0.002 . 2 . 1489 . . 58 LEU HD22 . 19066 1 694 . 1 1 58 58 LEU HD23 H 1 0.658 0.002 . 2 . 1489 . . 58 LEU HD23 . 19066 1 695 . 1 1 58 58 LEU C C 13 175.225 0.05 . 1 . 691 . . 58 LEU C . 19066 1 696 . 1 1 58 58 LEU CA C 13 54.574 0.05 . 1 . 370 . . 58 LEU CA . 19066 1 697 . 1 1 58 58 LEU CB C 13 40.868 0.05 . 1 . 369 . . 58 LEU CB . 19066 1 698 . 1 1 58 58 LEU CG C 13 27.658 0.05 . 1 . 1706 . . 58 LEU CG . 19066 1 699 . 1 1 58 58 LEU CD1 C 13 25.771 0.05 . 2 . 1487 . . 58 LEU CD1 . 19066 1 700 . 1 1 58 58 LEU CD2 C 13 27.091 0.05 . 2 . 1587 . . 58 LEU CD2 . 19066 1 701 . 1 1 58 58 LEU N N 15 120.293 0.01 . 1 . 109 . . 58 LEU N . 19066 1 702 . 1 1 59 59 GLN H H 1 9.225 0.002 . 1 . 19 . . 59 GLN H . 19066 1 703 . 1 1 59 59 GLN HA H 1 4.007 0.002 . 1 . 890 . . 59 GLN HA . 19066 1 704 . 1 1 59 59 GLN HB2 H 1 1.879 0.002 . 1 . 1120 . . 59 GLN HB2 . 19066 1 705 . 1 1 59 59 GLN HB3 H 1 1.879 0.002 . 1 . 891 . . 59 GLN HB3 . 19066 1 706 . 1 1 59 59 GLN HG2 H 1 2.138 0.002 . 2 . 1679 . . 59 GLN HG2 . 19066 1 707 . 1 1 59 59 GLN HG3 H 1 2.228 0.002 . 2 . 1678 . . 59 GLN HG3 . 19066 1 708 . 1 1 59 59 GLN HE21 H 1 7.234 0.002 . 1 . 314 . . 59 GLN HE21 . 19066 1 709 . 1 1 59 59 GLN HE22 H 1 6.606 0.002 . 1 . 261 . . 59 GLN HE22 . 19066 1 710 . 1 1 59 59 GLN C C 13 175.231 0.05 . 1 . 692 . . 59 GLN C . 19066 1 711 . 1 1 59 59 GLN CA C 13 58.588 0.05 . 1 . 458 . . 59 GLN CA . 19066 1 712 . 1 1 59 59 GLN CB C 13 29.764 0.05 . 1 . 459 . . 59 GLN CB . 19066 1 713 . 1 1 59 59 GLN CG C 13 33.617 0.05 . 1 . 1231 . . 59 GLN CG . 19066 1 714 . 1 1 59 59 GLN CD C 13 177.514 0.05 . 1 . 1576 . . 59 GLN CD . 19066 1 715 . 1 1 59 59 GLN N N 15 130.943 0.01 . 1 . 20 . . 59 GLN N . 19066 1 716 . 1 1 59 59 GLN NE2 N 15 108.610 0.01 . 1 . 262 . . 59 GLN NE2 . 19066 1 717 . 1 1 60 60 ARG H H 1 7.131 0.002 . 1 . 71 . . 60 ARG H . 19066 1 718 . 1 1 60 60 ARG HA H 1 4.342 0.002 . 1 . 894 . . 60 ARG HA . 19066 1 719 . 1 1 60 60 ARG HB2 H 1 1.745 0.002 . 2 . 893 . . 60 ARG HB2 . 19066 1 720 . 1 1 60 60 ARG HB3 H 1 1.625 0.002 . 2 . 892 . . 60 ARG HB3 . 19066 1 721 . 1 1 60 60 ARG HG2 H 1 1.534 0.002 . 2 . 1695 . . 60 ARG HG2 . 19066 1 722 . 1 1 60 60 ARG HG3 H 1 1.446 0.002 . 2 . 1694 . . 60 ARG HG3 . 19066 1 723 . 1 1 60 60 ARG HD2 H 1 3.094 0.002 . 2 . 1693 . . 60 ARG HD2 . 19066 1 724 . 1 1 60 60 ARG HD3 H 1 3.062 0.002 . 2 . 1692 . . 60 ARG HD3 . 19066 1 725 . 1 1 60 60 ARG HE H 1 7.137 0.002 . 1 . 215 . . 60 ARG HE . 19066 1 726 . 1 1 60 60 ARG C C 13 173.679 0.05 . 1 . 693 . . 60 ARG C . 19066 1 727 . 1 1 60 60 ARG CA C 13 55.722 0.05 . 1 . 457 . . 60 ARG CA . 19066 1 728 . 1 1 60 60 ARG CB C 13 33.788 0.05 . 1 . 456 . . 60 ARG CB . 19066 1 729 . 1 1 60 60 ARG CG C 13 27.333 0.05 . 1 . 1233 . . 60 ARG CG . 19066 1 730 . 1 1 60 60 ARG CD C 13 43.497 0.05 . 1 . 1232 . . 60 ARG CD . 19066 1 731 . 1 1 60 60 ARG N N 15 112.723 0.01 . 1 . 72 . . 60 ARG N . 19066 1 732 . 1 1 60 60 ARG NE N 15 84.239 0.01 . 1 . 216 . . 60 ARG NE . 19066 1 733 . 1 1 61 61 GLY H H 1 9.333 0.002 . 1 . 237 . . 61 GLY H . 19066 1 734 . 1 1 61 61 GLY HA2 H 1 3.548 0.002 . 2 . 896 . . 61 GLY HA2 . 19066 1 735 . 1 1 61 61 GLY HA3 H 1 5.559 0.002 . 2 . 895 . . 61 GLY HA3 . 19066 1 736 . 1 1 61 61 GLY C C 13 171.762 0.05 . 1 . 694 . . 61 GLY C . 19066 1 737 . 1 1 61 61 GLY CA C 13 45.906 0.05 . 1 . 455 . . 61 GLY CA . 19066 1 738 . 1 1 61 61 GLY N N 15 112.665 0.01 . 1 . 238 . . 61 GLY N . 19066 1 739 . 1 1 62 62 SER H H 1 9.152 0.002 . 1 . 170 . . 62 SER H . 19066 1 740 . 1 1 62 62 SER HA H 1 4.569 0.002 . 1 . 897 . . 62 SER HA . 19066 1 741 . 1 1 62 62 SER HB2 H 1 3.733 0.002 . 2 . 1703 . . 62 SER HB2 . 19066 1 742 . 1 1 62 62 SER HB3 H 1 3.643 0.002 . 2 . 1702 . . 62 SER HB3 . 19066 1 743 . 1 1 62 62 SER C C 13 171.429 0.05 . 1 . 695 . . 62 SER C . 19066 1 744 . 1 1 62 62 SER CA C 13 57.704 0.05 . 1 . 454 . . 62 SER CA . 19066 1 745 . 1 1 62 62 SER CB C 13 65.798 0.05 . 1 . 453 . . 62 SER CB . 19066 1 746 . 1 1 62 62 SER N N 15 122.205 0.01 . 1 . 171 . . 62 SER N . 19066 1 747 . 1 1 63 63 ALA H H 1 8.136 0.002 . 1 . 110 . . 63 ALA H . 19066 1 748 . 1 1 63 63 ALA HA H 1 4.877 0.002 . 1 . 898 . . 63 ALA HA . 19066 1 749 . 1 1 63 63 ALA HB1 H 1 1.127 0.002 . 1 . 899 . . 63 ALA HB1 . 19066 1 750 . 1 1 63 63 ALA HB2 H 1 1.127 0.002 . 1 . 899 . . 63 ALA HB2 . 19066 1 751 . 1 1 63 63 ALA HB3 H 1 1.127 0.002 . 1 . 899 . . 63 ALA HB3 . 19066 1 752 . 1 1 63 63 ALA C C 13 174.013 0.05 . 1 . 1099 . . 63 ALA C . 19066 1 753 . 1 1 63 63 ALA CA C 13 50.625 0.05 . 1 . 467 . . 63 ALA CA . 19066 1 754 . 1 1 63 63 ALA CB C 13 22.525 0.05 . 1 . 466 . . 63 ALA CB . 19066 1 755 . 1 1 63 63 ALA N N 15 125.841 0.01 . 1 . 111 . . 63 ALA N . 19066 1 756 . 1 1 64 64 TYR H H 1 7.638 0.002 . 1 . 152 . . 64 TYR H . 19066 1 757 . 1 1 64 64 TYR HA H 1 4.555 0.002 . 1 . 900 . . 64 TYR HA . 19066 1 758 . 1 1 64 64 TYR HB2 H 1 1.994 0.002 . 2 . 901 . . 64 TYR HB2 . 19066 1 759 . 1 1 64 64 TYR HB3 H 1 3.020 0.002 . 2 . 902 . . 64 TYR HB3 . 19066 1 760 . 1 1 64 64 TYR HD1 H 1 6.774 0.002 . 3 . 1313 . . 64 TYR HD1 . 19066 1 761 . 1 1 64 64 TYR HD2 H 1 6.774 0.002 . 3 . 1314 . . 64 TYR HD2 . 19066 1 762 . 1 1 64 64 TYR HE1 H 1 6.632 0.002 . 3 . 1317 . . 64 TYR HE1 . 19066 1 763 . 1 1 64 64 TYR HE2 H 1 6.632 0.002 . 3 . 1318 . . 64 TYR HE2 . 19066 1 764 . 1 1 64 64 TYR C C 13 176.035 0.05 . 1 . 696 . . 64 TYR C . 19066 1 765 . 1 1 64 64 TYR CA C 13 57.580 0.05 . 1 . 464 . . 64 TYR CA . 19066 1 766 . 1 1 64 64 TYR CB C 13 44.467 0.05 . 1 . 465 . . 64 TYR CB . 19066 1 767 . 1 1 64 64 TYR CD1 C 13 132.455 0.05 . 3 . 1315 . . 64 TYR CD1 . 19066 1 768 . 1 1 64 64 TYR CD2 C 13 132.455 0.05 . 3 . 1316 . . 64 TYR CD2 . 19066 1 769 . 1 1 64 64 TYR CE1 C 13 118.481 0.05 . 3 . 1319 . . 64 TYR CE1 . 19066 1 770 . 1 1 64 64 TYR CE2 C 13 118.481 0.05 . 3 . 1320 . . 64 TYR CE2 . 19066 1 771 . 1 1 64 64 TYR N N 15 116.071 0.01 . 1 . 153 . . 64 TYR N . 19066 1 772 . 1 1 65 65 GLY H H 1 8.949 0.002 . 1 . 124 . . 65 GLY H . 19066 1 773 . 1 1 65 65 GLY HA2 H 1 4.184 0.002 . 2 . 904 . . 65 GLY HA2 . 19066 1 774 . 1 1 65 65 GLY HA3 H 1 3.884 0.002 . 2 . 903 . . 65 GLY HA3 . 19066 1 775 . 1 1 65 65 GLY C C 13 176.870 0.05 . 1 . 697 . . 65 GLY C . 19066 1 776 . 1 1 65 65 GLY CA C 13 47.168 0.05 . 1 . 468 . . 65 GLY CA . 19066 1 777 . 1 1 65 65 GLY N N 15 108.346 0.01 . 1 . 125 . . 65 GLY N . 19066 1 778 . 1 1 66 66 GLY H H 1 9.659 0.002 . 1 . 114 . . 66 GLY H . 19066 1 779 . 1 1 66 66 GLY HA2 H 1 4.654 0.002 . 2 . 905 . . 66 GLY HA2 . 19066 1 780 . 1 1 66 66 GLY HA3 H 1 4.171 0.002 . 2 . 906 . . 66 GLY HA3 . 19066 1 781 . 1 1 66 66 GLY C C 13 176.994 0.05 . 1 . 698 . . 66 GLY C . 19066 1 782 . 1 1 66 66 GLY CA C 13 46.976 0.05 . 1 . 542 . . 66 GLY CA . 19066 1 783 . 1 1 66 66 GLY N N 15 114.611 0.01 . 1 . 115 . . 66 GLY N . 19066 1 784 . 1 1 67 67 VAL H H 1 7.670 0.002 . 1 . 65 . . 67 VAL H . 19066 1 785 . 1 1 67 67 VAL HA H 1 3.980 0.002 . 1 . 908 . . 67 VAL HA . 19066 1 786 . 1 1 67 67 VAL HB H 1 2.688 0.002 . 1 . 907 . . 67 VAL HB . 19066 1 787 . 1 1 67 67 VAL HG11 H 1 1.004 0.002 . 2 . 1234 . . 67 VAL HG11 . 19066 1 788 . 1 1 67 67 VAL HG12 H 1 1.004 0.002 . 2 . 1234 . . 67 VAL HG12 . 19066 1 789 . 1 1 67 67 VAL HG13 H 1 1.004 0.002 . 2 . 1234 . . 67 VAL HG13 . 19066 1 790 . 1 1 67 67 VAL HG21 H 1 0.779 0.002 . 2 . 1235 . . 67 VAL HG21 . 19066 1 791 . 1 1 67 67 VAL HG22 H 1 0.779 0.002 . 2 . 1235 . . 67 VAL HG22 . 19066 1 792 . 1 1 67 67 VAL HG23 H 1 0.779 0.002 . 2 . 1235 . . 67 VAL HG23 . 19066 1 793 . 1 1 67 67 VAL C C 13 176.399 0.05 . 1 . 699 . . 67 VAL C . 19066 1 794 . 1 1 67 67 VAL CA C 13 66.673 0.05 . 1 . 440 . . 67 VAL CA . 19066 1 795 . 1 1 67 67 VAL CB C 13 31.141 0.05 . 1 . 441 . . 67 VAL CB . 19066 1 796 . 1 1 67 67 VAL CG1 C 13 22.662 0.05 . 2 . 1698 . . 67 VAL CG1 . 19066 1 797 . 1 1 67 67 VAL CG2 C 13 25.709 0.05 . 2 . 1699 . . 67 VAL CG2 . 19066 1 798 . 1 1 67 67 VAL N N 15 119.670 0.01 . 1 . 66 . . 67 VAL N . 19066 1 799 . 1 1 68 68 LEU H H 1 6.569 0.002 . 1 . 310 . . 68 LEU H . 19066 1 800 . 1 1 68 68 LEU HA H 1 4.062 0.002 . 1 . 911 . . 68 LEU HA . 19066 1 801 . 1 1 68 68 LEU HB2 H 1 1.820 0.002 . 2 . 909 . . 68 LEU HB2 . 19066 1 802 . 1 1 68 68 LEU HB3 H 1 0.927 0.002 . 2 . 910 . . 68 LEU HB3 . 19066 1 803 . 1 1 68 68 LEU HG H 1 1.385 0.002 . 1 . 1478 . . 68 LEU HG . 19066 1 804 . 1 1 68 68 LEU HD11 H 1 0.816 0.002 . 2 . 1476 . . 68 LEU HD11 . 19066 1 805 . 1 1 68 68 LEU HD12 H 1 0.816 0.002 . 2 . 1476 . . 68 LEU HD12 . 19066 1 806 . 1 1 68 68 LEU HD13 H 1 0.816 0.002 . 2 . 1476 . . 68 LEU HD13 . 19066 1 807 . 1 1 68 68 LEU HD21 H 1 0.839 0.002 . 2 . 1477 . . 68 LEU HD21 . 19066 1 808 . 1 1 68 68 LEU HD22 H 1 0.839 0.002 . 2 . 1477 . . 68 LEU HD22 . 19066 1 809 . 1 1 68 68 LEU HD23 H 1 0.839 0.002 . 2 . 1477 . . 68 LEU HD23 . 19066 1 810 . 1 1 68 68 LEU C C 13 178.764 0.05 . 1 . 700 . . 68 LEU C . 19066 1 811 . 1 1 68 68 LEU CA C 13 56.690 0.05 . 1 . 439 . . 68 LEU CA . 19066 1 812 . 1 1 68 68 LEU CB C 13 41.449 0.05 . 1 . 438 . . 68 LEU CB . 19066 1 813 . 1 1 68 68 LEU CG C 13 26.759 0.05 . 1 . 1479 . . 68 LEU CG . 19066 1 814 . 1 1 68 68 LEU CD1 C 13 22.988 0.05 . 2 . 1236 . . 68 LEU CD1 . 19066 1 815 . 1 1 68 68 LEU CD2 C 13 25.302 0.05 . 2 . 1237 . . 68 LEU CD2 . 19066 1 816 . 1 1 68 68 LEU N N 15 118.736 0.01 . 1 . 311 . . 68 LEU N . 19066 1 817 . 1 1 69 69 SER H H 1 7.893 0.002 . 1 . 63 . . 69 SER H . 19066 1 818 . 1 1 69 69 SER HA H 1 4.345 0.002 . 1 . 913 . . 69 SER HA . 19066 1 819 . 1 1 69 69 SER HB2 H 1 3.829 0.002 . 1 . 912 . . 69 SER HB2 . 19066 1 820 . 1 1 69 69 SER HB3 H 1 3.829 0.002 . 1 . 1121 . . 69 SER HB3 . 19066 1 821 . 1 1 69 69 SER C C 13 176.150 0.05 . 1 . 701 . . 69 SER C . 19066 1 822 . 1 1 69 69 SER CA C 13 61.039 0.05 . 1 . 495 . . 69 SER CA . 19066 1 823 . 1 1 69 69 SER CB C 13 64.112 0.05 . 1 . 496 . . 69 SER CB . 19066 1 824 . 1 1 69 69 SER N N 15 109.241 0.01 . 1 . 64 . . 69 SER N . 19066 1 825 . 1 1 70 70 ASN H H 1 8.111 0.002 . 1 . 96 . . 70 ASN H . 19066 1 826 . 1 1 70 70 ASN HA H 1 5.054 0.002 . 1 . 916 . . 70 ASN HA . 19066 1 827 . 1 1 70 70 ASN HB2 H 1 3.084 0.002 . 2 . 915 . . 70 ASN HB2 . 19066 1 828 . 1 1 70 70 ASN HB3 H 1 2.578 0.002 . 2 . 914 . . 70 ASN HB3 . 19066 1 829 . 1 1 70 70 ASN HD21 H 1 7.352 0.002 . 1 . 1490 . . 70 ASN HD21 . 19066 1 830 . 1 1 70 70 ASN HD22 H 1 7.913 0.002 . 1 . 1460 . . 70 ASN HD22 . 19066 1 831 . 1 1 70 70 ASN C C 13 174.215 0.05 . 1 . 702 . . 70 ASN C . 19066 1 832 . 1 1 70 70 ASN CA C 13 54.217 0.05 . 1 . 493 . . 70 ASN CA . 19066 1 833 . 1 1 70 70 ASN CB C 13 41.482 0.05 . 1 . 494 . . 70 ASN CB . 19066 1 834 . 1 1 70 70 ASN CG C 13 176.902 0.05 . 1 . 1577 . . 70 ASN CG . 19066 1 835 . 1 1 70 70 ASN N N 15 114.221 0.01 . 1 . 97 . . 70 ASN N . 19066 1 836 . 1 1 70 70 ASN ND2 N 15 116.990 0.01 . 1 . 1491 . . 70 ASN ND2 . 19066 1 837 . 1 1 71 71 PHE H H 1 7.868 0.002 . 1 . 172 . . 71 PHE H . 19066 1 838 . 1 1 71 71 PHE HA H 1 5.412 0.002 . 1 . 917 . . 71 PHE HA . 19066 1 839 . 1 1 71 71 PHE HB2 H 1 2.948 0.002 . 2 . 918 . . 71 PHE HB2 . 19066 1 840 . 1 1 71 71 PHE HB3 H 1 3.293 0.002 . 2 . 919 . . 71 PHE HB3 . 19066 1 841 . 1 1 71 71 PHE HD1 H 1 7.253 0.002 . 3 . 1321 . . 71 PHE HD1 . 19066 1 842 . 1 1 71 71 PHE HD2 H 1 7.253 0.002 . 3 . 1322 . . 71 PHE HD2 . 19066 1 843 . 1 1 71 71 PHE HE1 H 1 6.955 0.002 . 3 . 1323 . . 71 PHE HE1 . 19066 1 844 . 1 1 71 71 PHE HE2 H 1 6.955 0.002 . 3 . 1324 . . 71 PHE HE2 . 19066 1 845 . 1 1 71 71 PHE HZ H 1 6.711 0.002 . 1 . 1329 . . 71 PHE HZ . 19066 1 846 . 1 1 71 71 PHE C C 13 174.664 0.05 . 1 . 703 . . 71 PHE C . 19066 1 847 . 1 1 71 71 PHE CA C 13 57.150 0.05 . 1 . 497 . . 71 PHE CA . 19066 1 848 . 1 1 71 71 PHE CB C 13 43.120 0.05 . 1 . 498 . . 71 PHE CB . 19066 1 849 . 1 1 71 71 PHE CD1 C 13 132.389 0.05 . 3 . 1327 . . 71 PHE CD1 . 19066 1 850 . 1 1 71 71 PHE CD2 C 13 132.389 0.05 . 3 . 1328 . . 71 PHE CD2 . 19066 1 851 . 1 1 71 71 PHE CE1 C 13 130.606 0.05 . 3 . 1325 . . 71 PHE CE1 . 19066 1 852 . 1 1 71 71 PHE CE2 C 13 130.606 0.05 . 3 . 1326 . . 71 PHE CE2 . 19066 1 853 . 1 1 71 71 PHE CZ C 13 128.069 0.05 . 1 . 1330 . . 71 PHE CZ . 19066 1 854 . 1 1 71 71 PHE N N 15 116.962 0.01 . 1 . 173 . . 71 PHE N . 19066 1 855 . 1 1 72 72 SER H H 1 9.201 0.002 . 1 . 174 . . 72 SER H . 19066 1 856 . 1 1 72 72 SER HA H 1 5.055 0.002 . 1 . 922 . . 72 SER HA . 19066 1 857 . 1 1 72 72 SER HB2 H 1 3.986 0.002 . 2 . 921 . . 72 SER HB2 . 19066 1 858 . 1 1 72 72 SER HB3 H 1 3.820 0.002 . 2 . 920 . . 72 SER HB3 . 19066 1 859 . 1 1 72 72 SER C C 13 174.730 0.05 . 1 . 704 . . 72 SER C . 19066 1 860 . 1 1 72 72 SER CA C 13 56.954 0.05 . 1 . 549 . . 72 SER CA . 19066 1 861 . 1 1 72 72 SER CB C 13 65.411 0.05 . 1 . 548 . . 72 SER CB . 19066 1 862 . 1 1 72 72 SER N N 15 115.293 0.01 . 1 . 175 . . 72 SER N . 19066 1 863 . 1 1 73 73 GLY H H 1 8.940 0.002 . 1 . 81 . . 73 GLY H . 19066 1 864 . 1 1 73 73 GLY HA2 H 1 4.577 0.002 . 2 . 924 . . 73 GLY HA2 . 19066 1 865 . 1 1 73 73 GLY HA3 H 1 5.096 0.002 . 2 . 923 . . 73 GLY HA3 . 19066 1 866 . 1 1 73 73 GLY C C 13 172.345 0.05 . 1 . 705 . . 73 GLY C . 19066 1 867 . 1 1 73 73 GLY CA C 13 46.737 0.05 . 1 . 331 . . 73 GLY CA . 19066 1 868 . 1 1 73 73 GLY N N 15 109.589 0.01 . 1 . 82 . . 73 GLY N . 19066 1 869 . 1 1 74 74 THR H H 1 8.700 0.002 . 1 . 3 . . 74 THR H . 19066 1 870 . 1 1 74 74 THR HA H 1 4.962 0.002 . 1 . 926 . . 74 THR HA . 19066 1 871 . 1 1 74 74 THR HB H 1 4.131 0.002 . 1 . 925 . . 74 THR HB . 19066 1 872 . 1 1 74 74 THR HG21 H 1 1.130 0.002 . 1 . 1593 . . 74 THR HG21 . 19066 1 873 . 1 1 74 74 THR HG22 H 1 1.130 0.002 . 1 . 1593 . . 74 THR HG22 . 19066 1 874 . 1 1 74 74 THR HG23 H 1 1.130 0.002 . 1 . 1593 . . 74 THR HG23 . 19066 1 875 . 1 1 74 74 THR C C 13 172.705 0.05 . 1 . 706 . . 74 THR C . 19066 1 876 . 1 1 74 74 THR CA C 13 60.610 0.05 . 1 . 390 . . 74 THR CA . 19066 1 877 . 1 1 74 74 THR CB C 13 73.665 0.05 . 1 . 391 . . 74 THR CB . 19066 1 878 . 1 1 74 74 THR CG2 C 13 22.421 0.05 . 1 . 1592 . . 74 THR CG2 . 19066 1 879 . 1 1 74 74 THR N N 15 111.794 0.01 . 1 . 4 . . 74 THR N . 19066 1 880 . 1 1 75 75 VAL H H 1 9.580 0.002 . 1 . 52 . . 75 VAL H . 19066 1 881 . 1 1 75 75 VAL HA H 1 5.162 0.002 . 1 . 927 . . 75 VAL HA . 19066 1 882 . 1 1 75 75 VAL HB H 1 1.698 0.002 . 1 . 928 . . 75 VAL HB . 19066 1 883 . 1 1 75 75 VAL HG11 H 1 0.731 0.002 . 2 . 1239 . . 75 VAL HG11 . 19066 1 884 . 1 1 75 75 VAL HG12 H 1 0.731 0.002 . 2 . 1239 . . 75 VAL HG12 . 19066 1 885 . 1 1 75 75 VAL HG13 H 1 0.731 0.002 . 2 . 1239 . . 75 VAL HG13 . 19066 1 886 . 1 1 75 75 VAL HG21 H 1 1.023 0.002 . 2 . 1238 . . 75 VAL HG21 . 19066 1 887 . 1 1 75 75 VAL HG22 H 1 1.023 0.002 . 2 . 1238 . . 75 VAL HG22 . 19066 1 888 . 1 1 75 75 VAL HG23 H 1 1.023 0.002 . 2 . 1238 . . 75 VAL HG23 . 19066 1 889 . 1 1 75 75 VAL C C 13 172.795 0.05 . 1 . 707 . . 75 VAL C . 19066 1 890 . 1 1 75 75 VAL CA C 13 58.147 0.05 . 1 . 389 . . 75 VAL CA . 19066 1 891 . 1 1 75 75 VAL CB C 13 35.049 0.05 . 1 . 388 . . 75 VAL CB . 19066 1 892 . 1 1 75 75 VAL CG1 C 13 23.136 0.05 . 2 . 1701 . . 75 VAL CG1 . 19066 1 893 . 1 1 75 75 VAL CG2 C 13 20.110 0.05 . 2 . 1700 . . 75 VAL CG2 . 19066 1 894 . 1 1 75 75 VAL N N 15 119.668 0.01 . 1 . 53 . . 75 VAL N . 19066 1 895 . 1 1 76 76 LYS H H 1 9.491 0.002 . 1 . 247 . . 76 LYS H . 19066 1 896 . 1 1 76 76 LYS HA H 1 5.311 0.002 . 1 . 930 . . 76 LYS HA . 19066 1 897 . 1 1 76 76 LYS HB2 H 1 1.683 0.002 . 1 . 929 . . 76 LYS HB2 . 19066 1 898 . 1 1 76 76 LYS HB3 H 1 1.683 0.002 . 1 . 1122 . . 76 LYS HB3 . 19066 1 899 . 1 1 76 76 LYS HG2 H 1 1.070 0.002 . 1 . 1243 . . 76 LYS HG2 . 19066 1 900 . 1 1 76 76 LYS HG3 H 1 1.070 0.002 . 1 . 1242 . . 76 LYS HG3 . 19066 1 901 . 1 1 76 76 LYS HD2 H 1 1.311 0.002 . 2 . 1671 . . 76 LYS HD2 . 19066 1 902 . 1 1 76 76 LYS HD3 H 1 1.381 0.002 . 2 . 1670 . . 76 LYS HD3 . 19066 1 903 . 1 1 76 76 LYS HE2 H 1 2.496 0.002 . 2 . 1246 . . 76 LYS HE2 . 19066 1 904 . 1 1 76 76 LYS HE3 H 1 2.324 0.002 . 2 . 1245 . . 76 LYS HE3 . 19066 1 905 . 1 1 76 76 LYS C C 13 175.815 0.05 . 1 . 708 . . 76 LYS C . 19066 1 906 . 1 1 76 76 LYS CA C 13 54.422 0.05 . 1 . 387 . . 76 LYS CA . 19066 1 907 . 1 1 76 76 LYS CB C 13 34.313 0.05 . 1 . 386 . . 76 LYS CB . 19066 1 908 . 1 1 76 76 LYS CG C 13 25.463 0.05 . 1 . 1241 . . 76 LYS CG . 19066 1 909 . 1 1 76 76 LYS CD C 13 29.434 0.05 . 1 . 1240 . . 76 LYS CD . 19066 1 910 . 1 1 76 76 LYS CE C 13 41.772 0.05 . 1 . 1244 . . 76 LYS CE . 19066 1 911 . 1 1 76 76 LYS N N 15 128.201 0.01 . 1 . 248 . . 76 LYS N . 19066 1 912 . 1 1 77 77 TYR H H 1 9.370 0.002 . 1 . 288 . . 77 TYR H . 19066 1 913 . 1 1 77 77 TYR HA H 1 5.501 0.002 . 1 . 933 . . 77 TYR HA . 19066 1 914 . 1 1 77 77 TYR HB2 H 1 3.238 0.002 . 2 . 932 . . 77 TYR HB2 . 19066 1 915 . 1 1 77 77 TYR HB3 H 1 2.541 0.002 . 2 . 931 . . 77 TYR HB3 . 19066 1 916 . 1 1 77 77 TYR HD1 H 1 6.879 0.002 . 3 . 1136 . . 77 TYR HD1 . 19066 1 917 . 1 1 77 77 TYR HD2 H 1 6.879 0.002 . 3 . 1137 . . 77 TYR HD2 . 19066 1 918 . 1 1 77 77 TYR HE1 H 1 6.620 0.002 . 3 . 1140 . . 77 TYR HE1 . 19066 1 919 . 1 1 77 77 TYR HE2 H 1 6.620 0.002 . 3 . 1141 . . 77 TYR HE2 . 19066 1 920 . 1 1 77 77 TYR C C 13 176.302 0.05 . 1 . 709 . . 77 TYR C . 19066 1 921 . 1 1 77 77 TYR CA C 13 55.948 0.05 . 1 . 385 . . 77 TYR CA . 19066 1 922 . 1 1 77 77 TYR CB C 13 41.340 0.05 . 1 . 384 . . 77 TYR CB . 19066 1 923 . 1 1 77 77 TYR CD1 C 13 133.068 0.05 . 3 . 1299 . . 77 TYR CD1 . 19066 1 924 . 1 1 77 77 TYR CD2 C 13 133.068 0.05 . 3 . 1300 . . 77 TYR CD2 . 19066 1 925 . 1 1 77 77 TYR CE1 C 13 118.434 0.05 . 3 . 1279 . . 77 TYR CE1 . 19066 1 926 . 1 1 77 77 TYR CE2 C 13 118.434 0.05 . 3 . 1280 . . 77 TYR CE2 . 19066 1 927 . 1 1 77 77 TYR N N 15 125.499 0.01 . 1 . 289 . . 77 TYR N . 19066 1 928 . 1 1 78 78 SER H H 1 8.876 0.002 . 1 . 291 . . 78 SER H . 19066 1 929 . 1 1 78 78 SER HA H 1 3.742 0.002 . 1 . 936 . . 78 SER HA . 19066 1 930 . 1 1 78 78 SER HB2 H 1 2.796 0.002 . 2 . 935 . . 78 SER HB2 . 19066 1 931 . 1 1 78 78 SER HB3 H 1 4.130 0.002 . 2 . 934 . . 78 SER HB3 . 19066 1 932 . 1 1 78 78 SER C C 13 175.451 0.05 . 1 . 710 . . 78 SER C . 19066 1 933 . 1 1 78 78 SER CA C 13 57.973 0.05 . 1 . 382 . . 78 SER CA . 19066 1 934 . 1 1 78 78 SER CB C 13 62.713 0.05 . 1 . 383 . . 78 SER CB . 19066 1 935 . 1 1 78 78 SER N N 15 125.296 0.01 . 1 . 292 . . 78 SER N . 19066 1 936 . 1 1 79 79 GLY H H 1 8.731 0.002 . 1 . 25 . . 79 GLY H . 19066 1 937 . 1 1 79 79 GLY HA2 H 1 4.292 0.002 . 2 . 938 . . 79 GLY HA2 . 19066 1 938 . 1 1 79 79 GLY HA3 H 1 3.589 0.002 . 2 . 937 . . 79 GLY HA3 . 19066 1 939 . 1 1 79 79 GLY C C 13 174.264 0.05 . 1 . 711 . . 79 GLY C . 19066 1 940 . 1 1 79 79 GLY CA C 13 45.674 0.05 . 1 . 448 . . 79 GLY CA . 19066 1 941 . 1 1 79 79 GLY N N 15 105.164 0.01 . 1 . 26 . . 79 GLY N . 19066 1 942 . 1 1 80 80 SER H H 1 7.510 0.002 . 1 . 102 . . 80 SER H . 19066 1 943 . 1 1 80 80 SER HA H 1 4.775 0.002 . 1 . 941 . . 80 SER HA . 19066 1 944 . 1 1 80 80 SER HB2 H 1 3.842 0.002 . 2 . 940 . . 80 SER HB2 . 19066 1 945 . 1 1 80 80 SER HB3 H 1 3.691 0.002 . 2 . 939 . . 80 SER HB3 . 19066 1 946 . 1 1 80 80 SER C C 13 171.592 0.05 . 1 . 712 . . 80 SER C . 19066 1 947 . 1 1 80 80 SER CA C 13 58.229 0.05 . 1 . 462 . . 80 SER CA . 19066 1 948 . 1 1 80 80 SER CB C 13 65.847 0.05 . 1 . 463 . . 80 SER CB . 19066 1 949 . 1 1 80 80 SER N N 15 117.151 0.01 . 1 . 103 . . 80 SER N . 19066 1 950 . 1 1 81 81 SER H H 1 8.316 0.002 . 1 . 293 . . 81 SER H . 19066 1 951 . 1 1 81 81 SER HA H 1 5.116 0.002 . 1 . 942 . . 81 SER HA . 19066 1 952 . 1 1 81 81 SER HB2 H 1 3.459 0.002 . 1 . 943 . . 81 SER HB2 . 19066 1 953 . 1 1 81 81 SER HB3 H 1 3.459 0.002 . 1 . 1123 . . 81 SER HB3 . 19066 1 954 . 1 1 81 81 SER C C 13 172.770 0.05 . 1 . 713 . . 81 SER C . 19066 1 955 . 1 1 81 81 SER CA C 13 58.370 0.05 . 1 . 461 . . 81 SER CA . 19066 1 956 . 1 1 81 81 SER CB C 13 64.664 0.05 . 1 . 460 . . 81 SER CB . 19066 1 957 . 1 1 81 81 SER N N 15 117.981 0.01 . 1 . 294 . . 81 SER N . 19066 1 958 . 1 1 82 82 TYR H H 1 9.220 0.002 . 1 . 116 . . 82 TYR H . 19066 1 959 . 1 1 82 82 TYR HB3 H 1 3.323 0.002 . 1 . 1298 . . 82 TYR HB3 . 19066 1 960 . 1 1 82 82 TYR HD1 H 1 7.177 0.002 . 3 . 1144 . . 82 TYR HD1 . 19066 1 961 . 1 1 82 82 TYR HD2 H 1 7.177 0.002 . 3 . 1145 . . 82 TYR HD2 . 19066 1 962 . 1 1 82 82 TYR HE1 H 1 6.885 0.002 . 3 . 1142 . . 82 TYR HE1 . 19066 1 963 . 1 1 82 82 TYR HE2 H 1 6.885 0.002 . 3 . 1143 . . 82 TYR HE2 . 19066 1 964 . 1 1 82 82 TYR CA C 13 55.791 0.05 . 1 . 534 . . 82 TYR CA . 19066 1 965 . 1 1 82 82 TYR CB C 13 40.000 0.05 . 1 . 535 . . 82 TYR CB . 19066 1 966 . 1 1 82 82 TYR CD1 C 13 134.034 0.05 . 3 . 1296 . . 82 TYR CD1 . 19066 1 967 . 1 1 82 82 TYR CD2 C 13 134.034 0.05 . 3 . 1297 . . 82 TYR CD2 . 19066 1 968 . 1 1 82 82 TYR CE1 C 13 117.720 0.05 . 3 . 1294 . . 82 TYR CE1 . 19066 1 969 . 1 1 82 82 TYR CE2 C 13 117.720 0.05 . 3 . 1295 . . 82 TYR CE2 . 19066 1 970 . 1 1 82 82 TYR N N 15 123.680 0.01 . 1 . 117 . . 82 TYR N . 19066 1 971 . 1 1 83 83 PRO HA H 1 4.469 0.002 . 1 . 946 . . 83 PRO HA . 19066 1 972 . 1 1 83 83 PRO HB2 H 1 1.989 0.002 . 2 . 944 . . 83 PRO HB2 . 19066 1 973 . 1 1 83 83 PRO HB3 H 1 2.435 0.002 . 2 . 945 . . 83 PRO HB3 . 19066 1 974 . 1 1 83 83 PRO HG2 H 1 2.075 0.002 . 2 . 1249 . . 83 PRO HG2 . 19066 1 975 . 1 1 83 83 PRO HG3 H 1 2.238 0.002 . 2 . 1248 . . 83 PRO HG3 . 19066 1 976 . 1 1 83 83 PRO HD2 H 1 3.979 0.002 . 2 . 1646 . . 83 PRO HD2 . 19066 1 977 . 1 1 83 83 PRO HD3 H 1 3.940 0.002 . 2 . 1645 . . 83 PRO HD3 . 19066 1 978 . 1 1 83 83 PRO C C 13 173.701 0.05 . 1 . 714 . . 83 PRO C . 19066 1 979 . 1 1 83 83 PRO CA C 13 64.101 0.05 . 1 . 642 . . 83 PRO CA . 19066 1 980 . 1 1 83 83 PRO CB C 13 32.369 0.05 . 1 . 643 . . 83 PRO CB . 19066 1 981 . 1 1 83 83 PRO CG C 13 27.904 0.05 . 1 . 1247 . . 83 PRO CG . 19066 1 982 . 1 1 83 83 PRO CD C 13 50.289 0.05 . 1 . 1250 . . 83 PRO CD . 19066 1 983 . 1 1 84 84 PHE H H 1 7.509 0.002 . 1 . 144 . . 84 PHE H . 19066 1 984 . 1 1 84 84 PHE HA H 1 4.486 0.002 . 1 . 1343 . . 84 PHE HA . 19066 1 985 . 1 1 84 84 PHE HB2 H 1 2.450 0.002 . 2 . 1345 . . 84 PHE HB2 . 19066 1 986 . 1 1 84 84 PHE HB3 H 1 2.768 0.002 . 2 . 1344 . . 84 PHE HB3 . 19066 1 987 . 1 1 84 84 PHE HD1 H 1 6.901 0.002 . 3 . 1346 . . 84 PHE HD1 . 19066 1 988 . 1 1 84 84 PHE HD2 H 1 6.901 0.002 . 3 . 1347 . . 84 PHE HD2 . 19066 1 989 . 1 1 84 84 PHE HE1 H 1 6.906 0.002 . 3 . 1656 . . 84 PHE HE1 . 19066 1 990 . 1 1 84 84 PHE HE2 H 1 6.906 0.002 . 3 . 1657 . . 84 PHE HE2 . 19066 1 991 . 1 1 84 84 PHE HZ H 1 7.088 0.002 . 1 . 1660 . . 84 PHE HZ . 19066 1 992 . 1 1 84 84 PHE CA C 13 55.149 0.05 . 1 . 641 . . 84 PHE CA . 19066 1 993 . 1 1 84 84 PHE CB C 13 43.295 0.05 . 1 . 640 . . 84 PHE CB . 19066 1 994 . 1 1 84 84 PHE CD1 C 13 131.328 0.05 . 3 . 1348 . . 84 PHE CD1 . 19066 1 995 . 1 1 84 84 PHE CD2 C 13 131.328 0.05 . 3 . 1349 . . 84 PHE CD2 . 19066 1 996 . 1 1 84 84 PHE CE1 C 13 130.835 0.05 . 3 . 1658 . . 84 PHE CE1 . 19066 1 997 . 1 1 84 84 PHE CE2 C 13 130.835 0.05 . 3 . 1659 . . 84 PHE CE2 . 19066 1 998 . 1 1 84 84 PHE CZ C 13 129.362 0.05 . 1 . 1661 . . 84 PHE CZ . 19066 1 999 . 1 1 84 84 PHE N N 15 119.334 0.01 . 1 . 145 . . 84 PHE N . 19066 1 1000 . 1 1 85 85 PRO HA H 1 3.188 0.002 . 1 . 949 . . 85 PRO HA . 19066 1 1001 . 1 1 85 85 PRO HB2 H 1 1.915 0.002 . 2 . 947 . . 85 PRO HB2 . 19066 1 1002 . 1 1 85 85 PRO HB3 H 1 2.102 0.002 . 2 . 948 . . 85 PRO HB3 . 19066 1 1003 . 1 1 85 85 PRO HG2 H 1 1.818 0.002 . 2 . 1496 . . 85 PRO HG2 . 19066 1 1004 . 1 1 85 85 PRO HG3 H 1 1.330 0.002 . 2 . 1495 . . 85 PRO HG3 . 19066 1 1005 . 1 1 85 85 PRO HD2 H 1 3.133 0.002 . 2 . 1493 . . 85 PRO HD2 . 19066 1 1006 . 1 1 85 85 PRO HD3 H 1 3.418 0.002 . 2 . 1492 . . 85 PRO HD3 . 19066 1 1007 . 1 1 85 85 PRO C C 13 175.900 0.05 . 1 . 715 . . 85 PRO C . 19066 1 1008 . 1 1 85 85 PRO CA C 13 62.792 0.05 . 1 . 539 . . 85 PRO CA . 19066 1 1009 . 1 1 85 85 PRO CB C 13 34.920 0.05 . 1 . 538 . . 85 PRO CB . 19066 1 1010 . 1 1 85 85 PRO CG C 13 26.078 0.05 . 1 . 1251 . . 85 PRO CG . 19066 1 1011 . 1 1 85 85 PRO CD C 13 49.975 0.05 . 1 . 1494 . . 85 PRO CD . 19066 1 1012 . 1 1 86 86 THR H H 1 8.348 0.002 . 1 . 34 . . 86 THR H . 19066 1 1013 . 1 1 86 86 THR HA H 1 4.689 0.002 . 1 . 950 . . 86 THR HA . 19066 1 1014 . 1 1 86 86 THR HB H 1 4.477 0.002 . 1 . 951 . . 86 THR HB . 19066 1 1015 . 1 1 86 86 THR HG21 H 1 1.442 0.002 . 1 . 1603 . . 86 THR HG21 . 19066 1 1016 . 1 1 86 86 THR HG22 H 1 1.442 0.002 . 1 . 1603 . . 86 THR HG22 . 19066 1 1017 . 1 1 86 86 THR HG23 H 1 1.442 0.002 . 1 . 1603 . . 86 THR HG23 . 19066 1 1018 . 1 1 86 86 THR C C 13 176.337 0.05 . 1 . 780 . . 86 THR C . 19066 1 1019 . 1 1 86 86 THR CA C 13 62.021 0.05 . 1 . 451 . . 86 THR CA . 19066 1 1020 . 1 1 86 86 THR CB C 13 70.801 0.05 . 1 . 452 . . 86 THR CB . 19066 1 1021 . 1 1 86 86 THR N N 15 113.568 0.01 . 1 . 35 . . 86 THR N . 19066 1 1022 . 1 1 87 87 THR H H 1 8.783 0.002 . 1 . 142 . . 87 THR H . 19066 1 1023 . 1 1 87 87 THR HA H 1 4.529 0.002 . 1 . 1432 . . 87 THR HA . 19066 1 1024 . 1 1 87 87 THR HB H 1 4.491 0.002 . 1 . 1433 . . 87 THR HB . 19066 1 1025 . 1 1 87 87 THR HG21 H 1 1.135 0.002 . 1 . 1604 . . 87 THR HG21 . 19066 1 1026 . 1 1 87 87 THR HG22 H 1 1.135 0.002 . 1 . 1604 . . 87 THR HG22 . 19066 1 1027 . 1 1 87 87 THR HG23 H 1 1.135 0.002 . 1 . 1604 . . 87 THR HG23 . 19066 1 1028 . 1 1 87 87 THR C C 13 174.411 0.05 . 1 . 716 . . 87 THR C . 19066 1 1029 . 1 1 87 87 THR CA C 13 61.066 0.05 . 1 . 450 . . 87 THR CA . 19066 1 1030 . 1 1 87 87 THR CB C 13 69.665 0.05 . 1 . 449 . . 87 THR CB . 19066 1 1031 . 1 1 87 87 THR CG2 C 13 21.721 0.05 . 1 . 1605 . . 87 THR CG2 . 19066 1 1032 . 1 1 87 87 THR N N 15 110.142 0.01 . 1 . 143 . . 87 THR N . 19066 1 1033 . 1 1 88 88 SER H H 1 7.690 0.002 . 1 . 106 . . 88 SER H . 19066 1 1034 . 1 1 88 88 SER HA H 1 4.584 0.002 . 1 . 952 . . 88 SER HA . 19066 1 1035 . 1 1 88 88 SER HB2 H 1 3.857 0.002 . 2 . 953 . . 88 SER HB2 . 19066 1 1036 . 1 1 88 88 SER HB3 H 1 3.942 0.002 . 2 . 954 . . 88 SER HB3 . 19066 1 1037 . 1 1 88 88 SER C C 13 172.452 0.05 . 1 . 717 . . 88 SER C . 19066 1 1038 . 1 1 88 88 SER CA C 13 57.634 0.05 . 1 . 511 . . 88 SER CA . 19066 1 1039 . 1 1 88 88 SER CB C 13 64.928 0.05 . 1 . 512 . . 88 SER CB . 19066 1 1040 . 1 1 88 88 SER N N 15 116.141 0.01 . 1 . 107 . . 88 SER N . 19066 1 1041 . 1 1 89 89 GLU H H 1 8.414 0.002 . 1 . 211 . . 89 GLU H . 19066 1 1042 . 1 1 89 89 GLU HA H 1 4.584 0.002 . 1 . 955 . . 89 GLU HA . 19066 1 1043 . 1 1 89 89 GLU HB2 H 1 2.009 0.002 . 1 . 1124 . . 89 GLU HB2 . 19066 1 1044 . 1 1 89 89 GLU HB3 H 1 2.009 0.002 . 1 . 956 . . 89 GLU HB3 . 19066 1 1045 . 1 1 89 89 GLU HG2 H 1 2.878 0.002 . 2 . 1728 . . 89 GLU HG2 . 19066 1 1046 . 1 1 89 89 GLU HG3 H 1 2.175 0.002 . 2 . 1729 . . 89 GLU HG3 . 19066 1 1047 . 1 1 89 89 GLU C C 13 176.845 0.05 . 1 . 1096 . . 89 GLU C . 19066 1 1048 . 1 1 89 89 GLU CA C 13 56.034 0.05 . 1 . 536 . . 89 GLU CA . 19066 1 1049 . 1 1 89 89 GLU CB C 13 30.969 0.05 . 1 . 537 . . 89 GLU CB . 19066 1 1050 . 1 1 89 89 GLU CG C 13 35.939 0.05 . 1 . 1431 . . 89 GLU CG . 19066 1 1051 . 1 1 89 89 GLU N N 15 124.460 0.01 . 1 . 212 . . 89 GLU N . 19066 1 1052 . 1 1 90 90 THR H H 1 7.582 0.002 . 1 . 589 . . 90 THR H . 19066 1 1053 . 1 1 90 90 THR HA H 1 4.224 0.002 . 1 . 1599 . . 90 THR HA . 19066 1 1054 . 1 1 90 90 THR HB H 1 4.274 0.002 . 1 . 1600 . . 90 THR HB . 19066 1 1055 . 1 1 90 90 THR HG21 H 1 0.681 0.002 . 1 . 1601 . . 90 THR HG21 . 19066 1 1056 . 1 1 90 90 THR HG22 H 1 0.681 0.002 . 1 . 1601 . . 90 THR HG22 . 19066 1 1057 . 1 1 90 90 THR HG23 H 1 0.681 0.002 . 1 . 1601 . . 90 THR HG23 . 19066 1 1058 . 1 1 90 90 THR CA C 13 61.756 0.05 . 1 . 591 . . 90 THR CA . 19066 1 1059 . 1 1 90 90 THR CB C 13 69.197 0.05 . 1 . 592 . . 90 THR CB . 19066 1 1060 . 1 1 90 90 THR CG2 C 13 20.226 0.05 . 1 . 1602 . . 90 THR CG2 . 19066 1 1061 . 1 1 90 90 THR N N 15 116.892 0.01 . 1 . 590 . . 90 THR N . 19066 1 1062 . 1 1 91 91 PRO HA H 1 4.612 0.002 . 1 . 958 . . 91 PRO HA . 19066 1 1063 . 1 1 91 91 PRO HB2 H 1 2.572 0.002 . 2 . 957 . . 91 PRO HB2 . 19066 1 1064 . 1 1 91 91 PRO HB3 H 1 1.931 0.002 . 2 . 864 . . 91 PRO HB3 . 19066 1 1065 . 1 1 91 91 PRO HG2 H 1 2.051 0.002 . 2 . 1598 . . 91 PRO HG2 . 19066 1 1066 . 1 1 91 91 PRO HG3 H 1 2.201 0.002 . 2 . 1597 . . 91 PRO HG3 . 19066 1 1067 . 1 1 91 91 PRO HD2 H 1 3.779 0.002 . 2 . 1596 . . 91 PRO HD2 . 19066 1 1068 . 1 1 91 91 PRO HD3 H 1 3.657 0.002 . 2 . 1594 . . 91 PRO HD3 . 19066 1 1069 . 1 1 91 91 PRO C C 13 176.004 0.05 . 1 . 718 . . 91 PRO C . 19066 1 1070 . 1 1 91 91 PRO CA C 13 62.787 0.05 . 1 . 606 . . 91 PRO CA . 19066 1 1071 . 1 1 91 91 PRO CB C 13 32.585 0.05 . 1 . 605 . . 91 PRO CB . 19066 1 1072 . 1 1 91 91 PRO CG C 13 28.531 0.05 . 1 . 1497 . . 91 PRO CG . 19066 1 1073 . 1 1 91 91 PRO CD C 13 51.509 0.05 . 1 . 1595 . . 91 PRO CD . 19066 1 1074 . 1 1 92 92 ARG H H 1 8.216 0.002 . 1 . 198 . . 92 ARG H . 19066 1 1075 . 1 1 92 92 ARG HA H 1 4.639 0.002 . 1 . 959 . . 92 ARG HA . 19066 1 1076 . 1 1 92 92 ARG HB2 H 1 1.654 0.002 . 1 . 1125 . . 92 ARG HB2 . 19066 1 1077 . 1 1 92 92 ARG HB3 H 1 1.654 0.002 . 1 . 960 . . 92 ARG HB3 . 19066 1 1078 . 1 1 92 92 ARG HG2 H 1 1.546 0.002 . 1 . 1439 . . 92 ARG HG2 . 19066 1 1079 . 1 1 92 92 ARG HG3 H 1 1.546 0.002 . 1 . 1440 . . 92 ARG HG3 . 19066 1 1080 . 1 1 92 92 ARG HD2 H 1 2.529 0.002 . 1 . 1437 . . 92 ARG HD2 . 19066 1 1081 . 1 1 92 92 ARG HD3 H 1 2.529 0.002 . 1 . 1438 . . 92 ARG HD3 . 19066 1 1082 . 1 1 92 92 ARG HE H 1 6.908 0.002 . 1 . 227 . . 92 ARG HE . 19066 1 1083 . 1 1 92 92 ARG C C 13 176.974 0.05 . 1 . 719 . . 92 ARG C . 19066 1 1084 . 1 1 92 92 ARG CA C 13 55.690 0.05 . 1 . 520 . . 92 ARG CA . 19066 1 1085 . 1 1 92 92 ARG CB C 13 32.244 0.05 . 1 . 519 . . 92 ARG CB . 19066 1 1086 . 1 1 92 92 ARG CG C 13 26.192 0.05 . 1 . 1435 . . 92 ARG CG . 19066 1 1087 . 1 1 92 92 ARG CD C 13 43.527 0.05 . 1 . 1436 . . 92 ARG CD . 19066 1 1088 . 1 1 92 92 ARG N N 15 117.503 0.01 . 1 . 199 . . 92 ARG N . 19066 1 1089 . 1 1 92 92 ARG NE N 15 83.538 0.01 . 1 . 228 . . 92 ARG NE . 19066 1 1090 . 1 1 93 93 VAL H H 1 9.229 0.002 . 1 . 280 . . 93 VAL H . 19066 1 1091 . 1 1 93 93 VAL HA H 1 4.436 0.002 . 1 . 961 . . 93 VAL HA . 19066 1 1092 . 1 1 93 93 VAL HB H 1 2.246 0.002 . 1 . 962 . . 93 VAL HB . 19066 1 1093 . 1 1 93 93 VAL HG11 H 1 0.953 0.002 . 2 . 1402 . . 93 VAL HG11 . 19066 1 1094 . 1 1 93 93 VAL HG12 H 1 0.953 0.002 . 2 . 1402 . . 93 VAL HG12 . 19066 1 1095 . 1 1 93 93 VAL HG13 H 1 0.953 0.002 . 2 . 1402 . . 93 VAL HG13 . 19066 1 1096 . 1 1 93 93 VAL HG21 H 1 0.910 0.002 . 2 . 1403 . . 93 VAL HG21 . 19066 1 1097 . 1 1 93 93 VAL HG22 H 1 0.910 0.002 . 2 . 1403 . . 93 VAL HG22 . 19066 1 1098 . 1 1 93 93 VAL HG23 H 1 0.910 0.002 . 2 . 1403 . . 93 VAL HG23 . 19066 1 1099 . 1 1 93 93 VAL C C 13 175.570 0.05 . 1 . 1094 . . 93 VAL C . 19066 1 1100 . 1 1 93 93 VAL CA C 13 61.317 0.05 . 1 . 585 . . 93 VAL CA . 19066 1 1101 . 1 1 93 93 VAL CB C 13 34.964 0.05 . 1 . 586 . . 93 VAL CB . 19066 1 1102 . 1 1 93 93 VAL CG1 C 13 22.746 0.05 . 2 . 1400 . . 93 VAL CG1 . 19066 1 1103 . 1 1 93 93 VAL CG2 C 13 21.774 0.05 . 2 . 1401 . . 93 VAL CG2 . 19066 1 1104 . 1 1 93 93 VAL N N 15 121.222 0.01 . 1 . 281 . . 93 VAL N . 19066 1 1105 . 1 1 94 94 VAL H H 1 8.509 0.002 . 1 . 154 . . 94 VAL H . 19066 1 1106 . 1 1 94 94 VAL HA H 1 4.821 0.002 . 1 . 963 . . 94 VAL HA . 19066 1 1107 . 1 1 94 94 VAL HB H 1 1.947 0.002 . 1 . 964 . . 94 VAL HB . 19066 1 1108 . 1 1 94 94 VAL HG11 H 1 1.088 0.002 . 2 . 1404 . . 94 VAL HG11 . 19066 1 1109 . 1 1 94 94 VAL HG12 H 1 1.088 0.002 . 2 . 1404 . . 94 VAL HG12 . 19066 1 1110 . 1 1 94 94 VAL HG13 H 1 1.088 0.002 . 2 . 1404 . . 94 VAL HG13 . 19066 1 1111 . 1 1 94 94 VAL HG21 H 1 0.901 0.002 . 2 . 1405 . . 94 VAL HG21 . 19066 1 1112 . 1 1 94 94 VAL HG22 H 1 0.901 0.002 . 2 . 1405 . . 94 VAL HG22 . 19066 1 1113 . 1 1 94 94 VAL HG23 H 1 0.901 0.002 . 2 . 1405 . . 94 VAL HG23 . 19066 1 1114 . 1 1 94 94 VAL C C 13 176.198 0.05 . 1 . 720 . . 94 VAL C . 19066 1 1115 . 1 1 94 94 VAL CA C 13 62.499 0.05 . 1 . 603 . . 94 VAL CA . 19066 1 1116 . 1 1 94 94 VAL CB C 13 33.320 0.05 . 1 . 604 . . 94 VAL CB . 19066 1 1117 . 1 1 94 94 VAL CG1 C 13 21.725 0.05 . 2 . 1688 . . 94 VAL CG1 . 19066 1 1118 . 1 1 94 94 VAL CG2 C 13 21.720 0.05 . 2 . 1647 . . 94 VAL CG2 . 19066 1 1119 . 1 1 94 94 VAL N N 15 125.527 0.01 . 1 . 155 . . 94 VAL N . 19066 1 1120 . 1 1 95 95 TYR H H 1 9.137 0.002 . 1 . 269 . . 95 TYR H . 19066 1 1121 . 1 1 95 95 TYR HA H 1 4.921 0.002 . 1 . 1128 . . 95 TYR HA . 19066 1 1122 . 1 1 95 95 TYR HB2 H 1 3.091 0.002 . 2 . 1127 . . 95 TYR HB2 . 19066 1 1123 . 1 1 95 95 TYR HB3 H 1 2.860 0.002 . 2 . 1126 . . 95 TYR HB3 . 19066 1 1124 . 1 1 95 95 TYR HD1 H 1 7.255 0.002 . 3 . 1331 . . 95 TYR HD1 . 19066 1 1125 . 1 1 95 95 TYR HD2 H 1 7.255 0.002 . 3 . 1332 . . 95 TYR HD2 . 19066 1 1126 . 1 1 95 95 TYR HE1 H 1 6.773 0.002 . 3 . 1337 . . 95 TYR HE1 . 19066 1 1127 . 1 1 95 95 TYR HE2 H 1 6.773 0.002 . 3 . 1338 . . 95 TYR HE2 . 19066 1 1128 . 1 1 95 95 TYR C C 13 176.400 0.05 . 1 . 721 . . 95 TYR C . 19066 1 1129 . 1 1 95 95 TYR CA C 13 58.203 0.05 . 1 . 485 . . 95 TYR CA . 19066 1 1130 . 1 1 95 95 TYR CB C 13 40.330 0.05 . 1 . 486 . . 95 TYR CB . 19066 1 1131 . 1 1 95 95 TYR CD1 C 13 133.207 0.05 . 3 . 1333 . . 95 TYR CD1 . 19066 1 1132 . 1 1 95 95 TYR CD2 C 13 133.207 0.05 . 3 . 1334 . . 95 TYR CD2 . 19066 1 1133 . 1 1 95 95 TYR CE1 C 13 118.644 0.05 . 3 . 1335 . . 95 TYR CE1 . 19066 1 1134 . 1 1 95 95 TYR CE2 C 13 118.644 0.05 . 3 . 1336 . . 95 TYR CE2 . 19066 1 1135 . 1 1 95 95 TYR N N 15 126.333 0.01 . 1 . 270 . . 95 TYR N . 19066 1 1136 . 1 1 96 96 ASN H H 1 9.169 0.002 . 1 . 221 . . 96 ASN H . 19066 1 1137 . 1 1 96 96 ASN HA H 1 5.082 0.002 . 1 . 967 . . 96 ASN HA . 19066 1 1138 . 1 1 96 96 ASN HB2 H 1 2.480 0.002 . 2 . 965 . . 96 ASN HB2 . 19066 1 1139 . 1 1 96 96 ASN HB3 H 1 3.393 0.002 . 2 . 966 . . 96 ASN HB3 . 19066 1 1140 . 1 1 96 96 ASN HD21 H 1 7.634 0.002 . 1 . 10 . . 96 ASN HD21 . 19066 1 1141 . 1 1 96 96 ASN HD22 H 1 6.873 0.002 . 1 . 40 . . 96 ASN HD22 . 19066 1 1142 . 1 1 96 96 ASN C C 13 173.062 0.05 . 1 . 722 . . 96 ASN C . 19066 1 1143 . 1 1 96 96 ASN CA C 13 52.693 0.05 . 1 . 483 . . 96 ASN CA . 19066 1 1144 . 1 1 96 96 ASN CB C 13 38.861 0.05 . 1 . 484 . . 96 ASN CB . 19066 1 1145 . 1 1 96 96 ASN CG C 13 177.108 0.05 . 1 . 1578 . . 96 ASN CG . 19066 1 1146 . 1 1 96 96 ASN N N 15 124.308 0.01 . 1 . 222 . . 96 ASN N . 19066 1 1147 . 1 1 96 96 ASN ND2 N 15 110.510 0.01 . 1 . 41 . . 96 ASN ND2 . 19066 1 1148 . 1 1 97 97 SER H H 1 7.410 0.002 . 1 . 229 . . 97 SER H . 19066 1 1149 . 1 1 97 97 SER HA H 1 4.882 0.002 . 1 . 970 . . 97 SER HA . 19066 1 1150 . 1 1 97 97 SER HB2 H 1 4.056 0.002 . 2 . 969 . . 97 SER HB2 . 19066 1 1151 . 1 1 97 97 SER HB3 H 1 3.800 0.002 . 2 . 968 . . 97 SER HB3 . 19066 1 1152 . 1 1 97 97 SER C C 13 174.441 0.05 . 1 . 1100 . . 97 SER C . 19066 1 1153 . 1 1 97 97 SER CA C 13 56.451 0.05 . 1 . 481 . . 97 SER CA . 19066 1 1154 . 1 1 97 97 SER CB C 13 65.041 0.05 . 1 . 482 . . 97 SER CB . 19066 1 1155 . 1 1 97 97 SER N N 15 109.603 0.01 . 1 . 230 . . 97 SER N . 19066 1 1156 . 1 1 98 98 ARG H H 1 9.424 0.002 . 1 . 340 . . 98 ARG H . 19066 1 1157 . 1 1 98 98 ARG HA H 1 4.876 0.002 . 1 . 971 . . 98 ARG HA . 19066 1 1158 . 1 1 98 98 ARG HB2 H 1 1.726 0.002 . 2 . 1675 . . 98 ARG HB2 . 19066 1 1159 . 1 1 98 98 ARG HB3 H 1 1.801 0.002 . 2 . 1674 . . 98 ARG HB3 . 19066 1 1160 . 1 1 98 98 ARG HG2 H 1 1.803 0.002 . 2 . 1673 . . 98 ARG HG2 . 19066 1 1161 . 1 1 98 98 ARG HG3 H 1 1.603 0.002 . 2 . 1672 . . 98 ARG HG3 . 19066 1 1162 . 1 1 98 98 ARG HD2 H 1 3.142 0.002 . 1 . 1444 . . 98 ARG HD2 . 19066 1 1163 . 1 1 98 98 ARG HD3 H 1 3.142 0.002 . 1 . 1443 . . 98 ARG HD3 . 19066 1 1164 . 1 1 98 98 ARG HE H 1 7.062 0.002 . 1 . 27 . . 98 ARG HE . 19066 1 1165 . 1 1 98 98 ARG C C 13 176.180 0.05 . 1 . 723 . . 98 ARG C . 19066 1 1166 . 1 1 98 98 ARG CA C 13 57.711 0.05 . 1 . 479 . . 98 ARG CA . 19066 1 1167 . 1 1 98 98 ARG CB C 13 30.820 0.05 . 1 . 480 . . 98 ARG CB . 19066 1 1168 . 1 1 98 98 ARG CG C 13 28.528 0.05 . 1 . 1441 . . 98 ARG CG . 19066 1 1169 . 1 1 98 98 ARG CD C 13 43.292 0.05 . 1 . 1442 . . 98 ARG CD . 19066 1 1170 . 1 1 98 98 ARG N N 15 128.856 0.01 . 1 . 341 . . 98 ARG N . 19066 1 1171 . 1 1 98 98 ARG NE N 15 84.771 0.01 . 1 . 233 . . 98 ARG NE . 19066 1 1172 . 1 1 99 99 THR H H 1 8.321 0.002 . 1 . 93 . . 99 THR H . 19066 1 1173 . 1 1 99 99 THR HA H 1 3.983 0.002 . 1 . 1262 . . 99 THR HA . 19066 1 1174 . 1 1 99 99 THR HB H 1 4.006 0.002 . 1 . 1261 . . 99 THR HB . 19066 1 1175 . 1 1 99 99 THR HG21 H 1 1.253 0.002 . 1 . 1260 . . 99 THR HG21 . 19066 1 1176 . 1 1 99 99 THR HG22 H 1 1.253 0.002 . 1 . 1260 . . 99 THR HG22 . 19066 1 1177 . 1 1 99 99 THR HG23 H 1 1.253 0.002 . 1 . 1260 . . 99 THR HG23 . 19066 1 1178 . 1 1 99 99 THR C C 13 173.934 0.05 . 1 . 724 . . 99 THR C . 19066 1 1179 . 1 1 99 99 THR CA C 13 62.830 0.05 . 1 . 477 . . 99 THR CA . 19066 1 1180 . 1 1 99 99 THR CB C 13 69.397 0.05 . 1 . 478 . . 99 THR CB . 19066 1 1181 . 1 1 99 99 THR CG2 C 13 21.465 0.05 . 1 . 1498 . . 99 THR CG2 . 19066 1 1182 . 1 1 99 99 THR N N 15 117.028 0.01 . 1 . 94 . . 99 THR N . 19066 1 1183 . 1 1 100 100 ASP H H 1 8.480 0.002 . 1 . 231 . . 100 ASP H . 19066 1 1184 . 1 1 100 100 ASP HA H 1 4.660 0.002 . 1 . 972 . . 100 ASP HA . 19066 1 1185 . 1 1 100 100 ASP HB2 H 1 2.397 0.002 . 2 . 973 . . 100 ASP HB2 . 19066 1 1186 . 1 1 100 100 ASP HB3 H 1 2.297 0.002 . 2 . 974 . . 100 ASP HB3 . 19066 1 1187 . 1 1 100 100 ASP C C 13 175.758 0.05 . 1 . 725 . . 100 ASP C . 19066 1 1188 . 1 1 100 100 ASP CA C 13 56.164 0.05 . 1 . 475 . . 100 ASP CA . 19066 1 1189 . 1 1 100 100 ASP CB C 13 41.392 0.05 . 1 . 476 . . 100 ASP CB . 19066 1 1190 . 1 1 100 100 ASP N N 15 126.288 0.01 . 1 . 232 . . 100 ASP N . 19066 1 1191 . 1 1 101 101 LYS H H 1 9.391 0.002 . 1 . 160 . . 101 LYS H . 19066 1 1192 . 1 1 101 101 LYS HA H 1 5.243 0.002 . 1 . 1608 . . 101 LYS HA . 19066 1 1193 . 1 1 101 101 LYS HB2 H 1 2.118 0.002 . 2 . 1609 . . 101 LYS HB2 . 19066 1 1194 . 1 1 101 101 LYS HB3 H 1 1.969 0.002 . 2 . 1607 . . 101 LYS HB3 . 19066 1 1195 . 1 1 101 101 LYS HG2 H 1 1.645 0.002 . 2 . 1612 . . 101 LYS HG2 . 19066 1 1196 . 1 1 101 101 LYS HG3 H 1 1.582 0.002 . 2 . 1611 . . 101 LYS HG3 . 19066 1 1197 . 1 1 101 101 LYS HD2 H 1 1.683 0.002 . 2 . 1615 . . 101 LYS HD2 . 19066 1 1198 . 1 1 101 101 LYS HD3 H 1 1.612 0.002 . 2 . 1613 . . 101 LYS HD3 . 19066 1 1199 . 1 1 101 101 LYS HE2 H 1 2.715 0.002 . 2 . 1618 . . 101 LYS HE2 . 19066 1 1200 . 1 1 101 101 LYS HE3 H 1 2.649 0.002 . 2 . 1617 . . 101 LYS HE3 . 19066 1 1201 . 1 1 101 101 LYS CA C 13 52.888 0.05 . 1 . 546 . . 101 LYS CA . 19066 1 1202 . 1 1 101 101 LYS CB C 13 35.201 0.05 . 1 . 547 . . 101 LYS CB . 19066 1 1203 . 1 1 101 101 LYS CG C 13 24.790 0.05 . 1 . 1610 . . 101 LYS CG . 19066 1 1204 . 1 1 101 101 LYS CD C 13 29.330 0.05 . 1 . 1614 . . 101 LYS CD . 19066 1 1205 . 1 1 101 101 LYS CE C 13 42.074 0.05 . 1 . 1616 . . 101 LYS CE . 19066 1 1206 . 1 1 101 101 LYS N N 15 124.544 0.01 . 1 . 161 . . 101 LYS N . 19066 1 1207 . 1 1 102 102 PRO HA H 1 4.581 0.002 . 1 . 975 . . 102 PRO HA . 19066 1 1208 . 1 1 102 102 PRO HB2 H 1 2.952 0.002 . 2 . 977 . . 102 PRO HB2 . 19066 1 1209 . 1 1 102 102 PRO HB3 H 1 1.579 0.002 . 2 . 976 . . 102 PRO HB3 . 19066 1 1210 . 1 1 102 102 PRO HG2 H 1 2.146 0.002 . 1 . 1501 . . 102 PRO HG2 . 19066 1 1211 . 1 1 102 102 PRO HG3 H 1 2.146 0.002 . 1 . 1500 . . 102 PRO HG3 . 19066 1 1212 . 1 1 102 102 PRO HD2 H 1 4.161 0.002 . 2 . 1503 . . 102 PRO HD2 . 19066 1 1213 . 1 1 102 102 PRO HD3 H 1 3.784 0.002 . 2 . 1504 . . 102 PRO HD3 . 19066 1 1214 . 1 1 102 102 PRO C C 13 177.282 0.05 . 1 . 726 . . 102 PRO C . 19066 1 1215 . 1 1 102 102 PRO CA C 13 62.853 0.05 . 1 . 639 . . 102 PRO CA . 19066 1 1216 . 1 1 102 102 PRO CB C 13 33.248 0.05 . 1 . 638 . . 102 PRO CB . 19066 1 1217 . 1 1 102 102 PRO CG C 13 27.899 0.05 . 1 . 1499 . . 102 PRO CG . 19066 1 1218 . 1 1 102 102 PRO CD C 13 51.664 0.05 . 1 . 1502 . . 102 PRO CD . 19066 1 1219 . 1 1 103 103 TRP H H 1 8.347 0.002 . 1 . 284 . . 103 TRP H . 19066 1 1220 . 1 1 103 103 TRP HA H 1 5.432 0.002 . 1 . 1505 . . 103 TRP HA . 19066 1 1221 . 1 1 103 103 TRP HB2 H 1 2.505 0.002 . 2 . 1153 . . 103 TRP HB2 . 19066 1 1222 . 1 1 103 103 TRP HB3 H 1 3.124 0.002 . 2 . 1152 . . 103 TRP HB3 . 19066 1 1223 . 1 1 103 103 TRP HD1 H 1 7.540 0.002 . 1 . 1090 . . 103 TRP HD1 . 19066 1 1224 . 1 1 103 103 TRP HE1 H 1 9.047 0.002 . 1 . 1506 . . 103 TRP HE1 . 19066 1 1225 . 1 1 103 103 TRP HE3 H 1 6.935 0.002 . 1 . 1631 . . 103 TRP HE3 . 19066 1 1226 . 1 1 103 103 TRP HZ2 H 1 7.321 0.002 . 1 . 1624 . . 103 TRP HZ2 . 19066 1 1227 . 1 1 103 103 TRP HZ3 H 1 6.648 0.002 . 1 . 1633 . . 103 TRP HZ3 . 19066 1 1228 . 1 1 103 103 TRP HH2 H 1 7.000 0.002 . 1 . 1635 . . 103 TRP HH2 . 19066 1 1229 . 1 1 103 103 TRP CA C 13 52.771 0.05 . 1 . 637 . . 103 TRP CA . 19066 1 1230 . 1 1 103 103 TRP CB C 13 28.232 0.05 . 1 . 636 . . 103 TRP CB . 19066 1 1231 . 1 1 103 103 TRP CD1 C 13 124.687 0.05 . 1 . 1161 . . 103 TRP CD1 . 19066 1 1232 . 1 1 103 103 TRP CE3 C 13 121.176 0.05 . 1 . 1632 . . 103 TRP CE3 . 19066 1 1233 . 1 1 103 103 TRP CZ2 C 13 113.424 0.05 . 1 . 1623 . . 103 TRP CZ2 . 19066 1 1234 . 1 1 103 103 TRP CZ3 C 13 121.237 0.05 . 1 . 1634 . . 103 TRP CZ3 . 19066 1 1235 . 1 1 103 103 TRP CH2 C 13 124.274 0.05 . 1 . 1636 . . 103 TRP CH2 . 19066 1 1236 . 1 1 103 103 TRP N N 15 128.363 0.01 . 1 . 285 . . 103 TRP N . 19066 1 1237 . 1 1 103 103 TRP NE1 N 15 128.029 0.01 . 1 . 202 . . 103 TRP NE1 . 19066 1 1238 . 1 1 104 104 PRO HA H 1 4.365 0.002 . 1 . 980 . . 104 PRO HA . 19066 1 1239 . 1 1 104 104 PRO HB2 H 1 1.714 0.002 . 2 . 978 . . 104 PRO HB2 . 19066 1 1240 . 1 1 104 104 PRO HB3 H 1 2.073 0.002 . 2 . 979 . . 104 PRO HB3 . 19066 1 1241 . 1 1 104 104 PRO HD2 H 1 4.114 0.002 . 2 . 1664 . . 104 PRO HD2 . 19066 1 1242 . 1 1 104 104 PRO HD3 H 1 3.555 0.002 . 2 . 1662 . . 104 PRO HD3 . 19066 1 1243 . 1 1 104 104 PRO C C 13 173.074 0.05 . 1 . 727 . . 104 PRO C . 19066 1 1244 . 1 1 104 104 PRO CA C 13 62.944 0.05 . 1 . 559 . . 104 PRO CA . 19066 1 1245 . 1 1 104 104 PRO CB C 13 28.976 0.05 . 1 . 558 . . 104 PRO CB . 19066 1 1246 . 1 1 104 104 PRO CG C 13 27.371 0.05 . 1 . 1507 . . 104 PRO CG . 19066 1 1247 . 1 1 104 104 PRO CD C 13 50.327 0.05 . 1 . 1663 . . 104 PRO CD . 19066 1 1248 . 1 1 105 105 VAL H H 1 8.095 0.002 . 1 . 100 . . 105 VAL H . 19066 1 1249 . 1 1 105 105 VAL HA H 1 4.821 0.002 . 1 . 981 . . 105 VAL HA . 19066 1 1250 . 1 1 105 105 VAL HB H 1 0.931 0.002 . 1 . 982 . . 105 VAL HB . 19066 1 1251 . 1 1 105 105 VAL HG11 H 1 0.243 0.002 . 2 . 1406 . . 105 VAL HG11 . 19066 1 1252 . 1 1 105 105 VAL HG12 H 1 0.243 0.002 . 2 . 1406 . . 105 VAL HG12 . 19066 1 1253 . 1 1 105 105 VAL HG13 H 1 0.243 0.002 . 2 . 1406 . . 105 VAL HG13 . 19066 1 1254 . 1 1 105 105 VAL HG21 H 1 -0.517 0.002 . 2 . 1407 . . 105 VAL HG21 . 19066 1 1255 . 1 1 105 105 VAL HG22 H 1 -0.517 0.002 . 2 . 1407 . . 105 VAL HG22 . 19066 1 1256 . 1 1 105 105 VAL HG23 H 1 -0.517 0.002 . 2 . 1407 . . 105 VAL HG23 . 19066 1 1257 . 1 1 105 105 VAL C C 13 173.575 0.05 . 1 . 728 . . 105 VAL C . 19066 1 1258 . 1 1 105 105 VAL CA C 13 60.223 0.05 . 1 . 447 . . 105 VAL CA . 19066 1 1259 . 1 1 105 105 VAL CB C 13 35.161 0.05 . 1 . 446 . . 105 VAL CB . 19066 1 1260 . 1 1 105 105 VAL CG1 C 13 21.426 0.05 . 2 . 1651 . . 105 VAL CG1 . 19066 1 1261 . 1 1 105 105 VAL CG2 C 13 21.042 0.05 . 2 . 1650 . . 105 VAL CG2 . 19066 1 1262 . 1 1 105 105 VAL N N 15 125.692 0.01 . 1 . 101 . . 105 VAL N . 19066 1 1263 . 1 1 106 106 ALA H H 1 8.375 0.002 . 1 . 83 . . 106 ALA H . 19066 1 1264 . 1 1 106 106 ALA HA H 1 5.150 0.002 . 1 . 984 . . 106 ALA HA . 19066 1 1265 . 1 1 106 106 ALA HB1 H 1 1.253 0.002 . 1 . 983 . . 106 ALA HB1 . 19066 1 1266 . 1 1 106 106 ALA HB2 H 1 1.253 0.002 . 1 . 983 . . 106 ALA HB2 . 19066 1 1267 . 1 1 106 106 ALA HB3 H 1 1.253 0.002 . 1 . 983 . . 106 ALA HB3 . 19066 1 1268 . 1 1 106 106 ALA C C 13 175.233 0.05 . 1 . 729 . . 106 ALA C . 19066 1 1269 . 1 1 106 106 ALA CA C 13 50.885 0.05 . 1 . 522 . . 106 ALA CA . 19066 1 1270 . 1 1 106 106 ALA CB C 13 22.900 0.05 . 1 . 521 . . 106 ALA CB . 19066 1 1271 . 1 1 106 106 ALA N N 15 125.892 0.01 . 1 . 84 . . 106 ALA N . 19066 1 1272 . 1 1 107 107 LEU H H 1 8.654 0.002 . 1 . 315 . . 107 LEU H . 19066 1 1273 . 1 1 107 107 LEU HA H 1 4.790 0.002 . 1 . 985 . . 107 LEU HA . 19066 1 1274 . 1 1 107 107 LEU HB2 H 1 0.794 0.002 . 2 . 986 . . 107 LEU HB2 . 19066 1 1275 . 1 1 107 107 LEU HB3 H 1 1.378 0.002 . 2 . 987 . . 107 LEU HB3 . 19066 1 1276 . 1 1 107 107 LEU HG H 1 1.214 0.002 . 1 . 1513 . . 107 LEU HG . 19066 1 1277 . 1 1 107 107 LEU HD11 H 1 -0.148 0.002 . 2 . 1511 . . 107 LEU HD11 . 19066 1 1278 . 1 1 107 107 LEU HD12 H 1 -0.148 0.002 . 2 . 1511 . . 107 LEU HD12 . 19066 1 1279 . 1 1 107 107 LEU HD13 H 1 -0.148 0.002 . 2 . 1511 . . 107 LEU HD13 . 19066 1 1280 . 1 1 107 107 LEU HD21 H 1 0.240 0.002 . 2 . 1512 . . 107 LEU HD21 . 19066 1 1281 . 1 1 107 107 LEU HD22 H 1 0.240 0.002 . 2 . 1512 . . 107 LEU HD22 . 19066 1 1282 . 1 1 107 107 LEU HD23 H 1 0.240 0.002 . 2 . 1512 . . 107 LEU HD23 . 19066 1 1283 . 1 1 107 107 LEU C C 13 174.639 0.05 . 1 . 730 . . 107 LEU C . 19066 1 1284 . 1 1 107 107 LEU CA C 13 53.115 0.05 . 1 . 529 . . 107 LEU CA . 19066 1 1285 . 1 1 107 107 LEU CB C 13 42.530 0.05 . 1 . 528 . . 107 LEU CB . 19066 1 1286 . 1 1 107 107 LEU CG C 13 26.539 0.05 . 1 . 1510 . . 107 LEU CG . 19066 1 1287 . 1 1 107 107 LEU CD1 C 13 21.939 0.05 . 2 . 1508 . . 107 LEU CD1 . 19066 1 1288 . 1 1 107 107 LEU CD2 C 13 23.799 0.05 . 2 . 1509 . . 107 LEU CD2 . 19066 1 1289 . 1 1 107 107 LEU N N 15 120.045 0.01 . 1 . 316 . . 107 LEU N . 19066 1 1290 . 1 1 108 108 TYR H H 1 8.952 0.002 . 1 . 282 . . 108 TYR H . 19066 1 1291 . 1 1 108 108 TYR HA H 1 4.601 0.002 . 1 . 1157 . . 108 TYR HA . 19066 1 1292 . 1 1 108 108 TYR HB2 H 1 2.992 0.002 . 2 . 1159 . . 108 TYR HB2 . 19066 1 1293 . 1 1 108 108 TYR HB3 H 1 2.499 0.002 . 2 . 1158 . . 108 TYR HB3 . 19066 1 1294 . 1 1 108 108 TYR HD1 H 1 6.830 0.002 . 3 . 1284 . . 108 TYR HD1 . 19066 1 1295 . 1 1 108 108 TYR HD2 H 1 6.830 0.002 . 3 . 1285 . . 108 TYR HD2 . 19066 1 1296 . 1 1 108 108 TYR HE1 H 1 6.606 0.002 . 3 . 1339 . . 108 TYR HE1 . 19066 1 1297 . 1 1 108 108 TYR HE2 H 1 6.606 0.002 . 3 . 1340 . . 108 TYR HE2 . 19066 1 1298 . 1 1 108 108 TYR C C 13 175.084 0.05 . 1 . 781 . . 108 TYR C . 19066 1 1299 . 1 1 108 108 TYR CA C 13 57.744 0.05 . 1 . 561 . . 108 TYR CA . 19066 1 1300 . 1 1 108 108 TYR CB C 13 39.059 0.05 . 1 . 560 . . 108 TYR CB . 19066 1 1301 . 1 1 108 108 TYR CD1 C 13 132.401 0.05 . 3 . 1288 . . 108 TYR CD1 . 19066 1 1302 . 1 1 108 108 TYR CD2 C 13 132.401 0.05 . 3 . 1289 . . 108 TYR CD2 . 19066 1 1303 . 1 1 108 108 TYR CE1 C 13 118.433 0.05 . 3 . 1341 . . 108 TYR CE1 . 19066 1 1304 . 1 1 108 108 TYR CE2 C 13 118.433 0.05 . 3 . 1342 . . 108 TYR CE2 . 19066 1 1305 . 1 1 108 108 TYR N N 15 123.228 0.01 . 1 . 283 . . 108 TYR N . 19066 1 1306 . 1 1 109 109 LEU H H 1 9.024 0.002 . 1 . 89 . . 109 LEU H . 19066 1 1307 . 1 1 109 109 LEU HA H 1 5.420 0.002 . 1 . 990 . . 109 LEU HA . 19066 1 1308 . 1 1 109 109 LEU HB2 H 1 1.799 0.002 . 2 . 989 . . 109 LEU HB2 . 19066 1 1309 . 1 1 109 109 LEU HB3 H 1 1.262 0.002 . 2 . 988 . . 109 LEU HB3 . 19066 1 1310 . 1 1 109 109 LEU HG H 1 1.341 0.002 . 1 . 1707 . . 109 LEU HG . 19066 1 1311 . 1 1 109 109 LEU HD11 H 1 0.372 0.002 . 2 . 1516 . . 109 LEU HD11 . 19066 1 1312 . 1 1 109 109 LEU HD12 H 1 0.372 0.002 . 2 . 1516 . . 109 LEU HD12 . 19066 1 1313 . 1 1 109 109 LEU HD13 H 1 0.372 0.002 . 2 . 1516 . . 109 LEU HD13 . 19066 1 1314 . 1 1 109 109 LEU HD21 H 1 0.727 0.002 . 2 . 1517 . . 109 LEU HD21 . 19066 1 1315 . 1 1 109 109 LEU HD22 H 1 0.727 0.002 . 2 . 1517 . . 109 LEU HD22 . 19066 1 1316 . 1 1 109 109 LEU HD23 H 1 0.727 0.002 . 2 . 1517 . . 109 LEU HD23 . 19066 1 1317 . 1 1 109 109 LEU C C 13 175.586 0.05 . 1 . 731 . . 109 LEU C . 19066 1 1318 . 1 1 109 109 LEU CA C 13 52.961 0.05 . 1 . 580 . . 109 LEU CA . 19066 1 1319 . 1 1 109 109 LEU CB C 13 44.934 0.05 . 1 . 579 . . 109 LEU CB . 19066 1 1320 . 1 1 109 109 LEU CG C 13 26.416 0.05 . 1 . 1708 . . 109 LEU CG . 19066 1 1321 . 1 1 109 109 LEU CD1 C 13 25.703 0.05 . 2 . 1515 . . 109 LEU CD1 . 19066 1 1322 . 1 1 109 109 LEU CD2 C 13 23.182 0.05 . 2 . 1514 . . 109 LEU CD2 . 19066 1 1323 . 1 1 109 109 LEU N N 15 124.946 0.01 . 1 . 90 . . 109 LEU N . 19066 1 1324 . 1 1 110 110 THR H H 1 9.654 0.002 . 1 . 239 . . 110 THR H . 19066 1 1325 . 1 1 110 110 THR HA H 1 5.788 0.002 . 1 . 1519 . . 110 THR HA . 19066 1 1326 . 1 1 110 110 THR HB H 1 4.183 0.002 . 1 . 1518 . . 110 THR HB . 19066 1 1327 . 1 1 110 110 THR HG21 H 1 1.215 0.002 . 1 . 1520 . . 110 THR HG21 . 19066 1 1328 . 1 1 110 110 THR HG22 H 1 1.215 0.002 . 1 . 1520 . . 110 THR HG22 . 19066 1 1329 . 1 1 110 110 THR HG23 H 1 1.215 0.002 . 1 . 1520 . . 110 THR HG23 . 19066 1 1330 . 1 1 110 110 THR CA C 13 58.067 0.05 . 1 . 581 . . 110 THR CA . 19066 1 1331 . 1 1 110 110 THR CB C 13 72.374 0.05 . 1 . 582 . . 110 THR CB . 19066 1 1332 . 1 1 110 110 THR CG2 C 13 19.602 0.05 . 1 . 1606 . . 110 THR CG2 . 19066 1 1333 . 1 1 110 110 THR N N 15 120.327 0.01 . 1 . 240 . . 110 THR N . 19066 1 1334 . 1 1 111 111 PRO HA H 1 4.182 0.002 . 1 . 991 . . 111 PRO HA . 19066 1 1335 . 1 1 111 111 PRO HB2 H 1 1.668 0.002 . 1 . 992 . . 111 PRO HB2 . 19066 1 1336 . 1 1 111 111 PRO HB3 H 1 1.668 0.002 . 1 . 1129 . . 111 PRO HB3 . 19066 1 1337 . 1 1 111 111 PRO HG2 H 1 1.610 0.002 . 2 . 1669 . . 111 PRO HG2 . 19066 1 1338 . 1 1 111 111 PRO HG3 H 1 1.881 0.002 . 2 . 1668 . . 111 PRO HG3 . 19066 1 1339 . 1 1 111 111 PRO HD2 H 1 4.101 0.002 . 1 . 1666 . . 111 PRO HD2 . 19066 1 1340 . 1 1 111 111 PRO HD3 H 1 4.101 0.002 . 1 . 1667 . . 111 PRO HD3 . 19066 1 1341 . 1 1 111 111 PRO C C 13 177.824 0.05 . 1 . 732 . . 111 PRO C . 19066 1 1342 . 1 1 111 111 PRO CA C 13 62.827 0.05 . 1 . 573 . . 111 PRO CA . 19066 1 1343 . 1 1 111 111 PRO CB C 13 32.083 0.05 . 1 . 574 . . 111 PRO CB . 19066 1 1344 . 1 1 111 111 PRO CG C 13 28.134 0.05 . 1 . 1521 . . 111 PRO CG . 19066 1 1345 . 1 1 111 111 PRO CD C 13 52.685 0.05 . 1 . 1522 . . 111 PRO CD . 19066 1 1346 . 1 1 112 112 VAL H H 1 8.096 0.002 . 1 . 297 . . 112 VAL H . 19066 1 1347 . 1 1 112 112 VAL HA H 1 4.352 0.002 . 1 . 993 . . 112 VAL HA . 19066 1 1348 . 1 1 112 112 VAL HB H 1 2.351 0.002 . 1 . 994 . . 112 VAL HB . 19066 1 1349 . 1 1 112 112 VAL HG11 H 1 0.811 0.002 . 2 . 1411 . . 112 VAL HG11 . 19066 1 1350 . 1 1 112 112 VAL HG12 H 1 0.811 0.002 . 2 . 1411 . . 112 VAL HG12 . 19066 1 1351 . 1 1 112 112 VAL HG13 H 1 0.811 0.002 . 2 . 1411 . . 112 VAL HG13 . 19066 1 1352 . 1 1 112 112 VAL HG21 H 1 0.867 0.002 . 2 . 1410 . . 112 VAL HG21 . 19066 1 1353 . 1 1 112 112 VAL HG22 H 1 0.867 0.002 . 2 . 1410 . . 112 VAL HG22 . 19066 1 1354 . 1 1 112 112 VAL HG23 H 1 0.867 0.002 . 2 . 1410 . . 112 VAL HG23 . 19066 1 1355 . 1 1 112 112 VAL C C 13 177.046 0.05 . 1 . 733 . . 112 VAL C . 19066 1 1356 . 1 1 112 112 VAL CA C 13 61.376 0.05 . 1 . 513 . . 112 VAL CA . 19066 1 1357 . 1 1 112 112 VAL CB C 13 32.133 0.05 . 1 . 514 . . 112 VAL CB . 19066 1 1358 . 1 1 112 112 VAL CG1 C 13 18.728 0.05 . 2 . 1409 . . 112 VAL CG1 . 19066 1 1359 . 1 1 112 112 VAL CG2 C 13 21.567 0.05 . 2 . 1408 . . 112 VAL CG2 . 19066 1 1360 . 1 1 112 112 VAL N N 15 118.273 0.01 . 1 . 298 . . 112 VAL N . 19066 1 1361 . 1 1 113 113 SER H H 1 8.331 0.002 . 1 . 217 . . 113 SER H . 19066 1 1362 . 1 1 113 113 SER HA H 1 4.158 0.002 . 1 . 995 . . 113 SER HA . 19066 1 1363 . 1 1 113 113 SER HB2 H 1 3.916 0.002 . 1 . 1130 . . 113 SER HB2 . 19066 1 1364 . 1 1 113 113 SER HB3 H 1 3.916 0.002 . 1 . 996 . . 113 SER HB3 . 19066 1 1365 . 1 1 113 113 SER C C 13 174.541 0.05 . 1 . 734 . . 113 SER C . 19066 1 1366 . 1 1 113 113 SER CA C 13 60.443 0.05 . 1 . 515 . . 113 SER CA . 19066 1 1367 . 1 1 113 113 SER CB C 13 63.324 0.05 . 1 . 516 . . 113 SER CB . 19066 1 1368 . 1 1 113 113 SER N N 15 114.823 0.01 . 1 . 218 . . 113 SER N . 19066 1 1369 . 1 1 114 114 SER H H 1 7.729 0.002 . 1 . 267 . . 114 SER H . 19066 1 1370 . 1 1 114 114 SER HA H 1 4.388 0.002 . 1 . 999 . . 114 SER HA . 19066 1 1371 . 1 1 114 114 SER HB2 H 1 4.047 0.002 . 2 . 998 . . 114 SER HB2 . 19066 1 1372 . 1 1 114 114 SER HB3 H 1 3.713 0.002 . 2 . 997 . . 114 SER HB3 . 19066 1 1373 . 1 1 114 114 SER C C 13 174.287 0.05 . 1 . 735 . . 114 SER C . 19066 1 1374 . 1 1 114 114 SER CA C 13 57.759 0.05 . 1 . 567 . . 114 SER CA . 19066 1 1375 . 1 1 114 114 SER CB C 13 63.523 0.05 . 1 . 568 . . 114 SER CB . 19066 1 1376 . 1 1 114 114 SER N N 15 112.714 0.01 . 1 . 268 . . 114 SER N . 19066 1 1377 . 1 1 115 115 ALA H H 1 7.744 0.002 . 1 . 28 . . 115 ALA H . 19066 1 1378 . 1 1 115 115 ALA HA H 1 4.246 0.002 . 1 . 1000 . . 115 ALA HA . 19066 1 1379 . 1 1 115 115 ALA HB1 H 1 1.328 0.002 . 1 . 1001 . . 115 ALA HB1 . 19066 1 1380 . 1 1 115 115 ALA HB2 H 1 1.328 0.002 . 1 . 1001 . . 115 ALA HB2 . 19066 1 1381 . 1 1 115 115 ALA HB3 H 1 1.328 0.002 . 1 . 1001 . . 115 ALA HB3 . 19066 1 1382 . 1 1 115 115 ALA C C 13 176.925 0.05 . 1 . 736 . . 115 ALA C . 19066 1 1383 . 1 1 115 115 ALA CA C 13 52.487 0.05 . 1 . 510 . . 115 ALA CA . 19066 1 1384 . 1 1 115 115 ALA CB C 13 20.099 0.05 . 1 . 509 . . 115 ALA CB . 19066 1 1385 . 1 1 115 115 ALA N N 15 125.999 0.01 . 1 . 29 . . 115 ALA N . 19066 1 1386 . 1 1 116 116 GLY H H 1 8.125 0.002 . 1 . 186 . . 116 GLY H . 19066 1 1387 . 1 1 116 116 GLY HA2 H 1 3.843 0.002 . 2 . 1002 . . 116 GLY HA2 . 19066 1 1388 . 1 1 116 116 GLY HA3 H 1 3.990 0.002 . 2 . 1003 . . 116 GLY HA3 . 19066 1 1389 . 1 1 116 116 GLY C C 13 173.654 0.05 . 1 . 737 . . 116 GLY C . 19066 1 1390 . 1 1 116 116 GLY CA C 13 46.179 0.05 . 1 . 523 . . 116 GLY CA . 19066 1 1391 . 1 1 116 116 GLY N N 15 106.479 0.01 . 1 . 187 . . 116 GLY N . 19066 1 1392 . 1 1 117 117 GLY H H 1 8.656 0.002 . 1 . 308 . . 117 GLY H . 19066 1 1393 . 1 1 117 117 GLY HA2 H 1 4.205 0.002 . 2 . 1004 . . 117 GLY HA2 . 19066 1 1394 . 1 1 117 117 GLY HA3 H 1 3.759 0.002 . 2 . 1005 . . 117 GLY HA3 . 19066 1 1395 . 1 1 117 117 GLY C C 13 173.999 0.05 . 1 . 738 . . 117 GLY C . 19066 1 1396 . 1 1 117 117 GLY CA C 13 44.761 0.05 . 1 . 543 . . 117 GLY CA . 19066 1 1397 . 1 1 117 117 GLY N N 15 111.525 0.01 . 1 . 309 . . 117 GLY N . 19066 1 1398 . 1 1 118 118 VAL H H 1 8.633 0.002 . 1 . 317 . . 118 VAL H . 19066 1 1399 . 1 1 118 118 VAL HA H 1 3.966 0.002 . 1 . 1007 . . 118 VAL HA . 19066 1 1400 . 1 1 118 118 VAL HB H 1 2.011 0.002 . 1 . 1006 . . 118 VAL HB . 19066 1 1401 . 1 1 118 118 VAL HG11 H 1 0.792 0.002 . 2 . 1414 . . 118 VAL HG11 . 19066 1 1402 . 1 1 118 118 VAL HG12 H 1 0.792 0.002 . 2 . 1414 . . 118 VAL HG12 . 19066 1 1403 . 1 1 118 118 VAL HG13 H 1 0.792 0.002 . 2 . 1414 . . 118 VAL HG13 . 19066 1 1404 . 1 1 118 118 VAL HG21 H 1 1.006 0.002 . 2 . 1415 . . 118 VAL HG21 . 19066 1 1405 . 1 1 118 118 VAL HG22 H 1 1.006 0.002 . 2 . 1415 . . 118 VAL HG22 . 19066 1 1406 . 1 1 118 118 VAL HG23 H 1 1.006 0.002 . 2 . 1415 . . 118 VAL HG23 . 19066 1 1407 . 1 1 118 118 VAL C C 13 175.341 0.05 . 1 . 739 . . 118 VAL C . 19066 1 1408 . 1 1 118 118 VAL CA C 13 64.383 0.05 . 1 . 488 . . 118 VAL CA . 19066 1 1409 . 1 1 118 118 VAL CB C 13 30.596 0.05 . 1 . 487 . . 118 VAL CB . 19066 1 1410 . 1 1 118 118 VAL CG1 C 13 21.619 0.05 . 1 . 1412 . . 118 VAL CG1 . 19066 1 1411 . 1 1 118 118 VAL CG2 C 13 21.619 0.05 . 1 . 1413 . . 118 VAL CG2 . 19066 1 1412 . 1 1 118 118 VAL N N 15 122.535 0.01 . 1 . 318 . . 118 VAL N . 19066 1 1413 . 1 1 119 119 ALA H H 1 9.101 0.002 . 1 . 162 . . 119 ALA H . 19066 1 1414 . 1 1 119 119 ALA HA H 1 4.454 0.002 . 1 . 1008 . . 119 ALA HA . 19066 1 1415 . 1 1 119 119 ALA HB1 H 1 1.387 0.002 . 1 . 1009 . . 119 ALA HB1 . 19066 1 1416 . 1 1 119 119 ALA HB2 H 1 1.387 0.002 . 1 . 1009 . . 119 ALA HB2 . 19066 1 1417 . 1 1 119 119 ALA HB3 H 1 1.387 0.002 . 1 . 1009 . . 119 ALA HB3 . 19066 1 1418 . 1 1 119 119 ALA C C 13 177.447 0.05 . 1 . 1098 . . 119 ALA C . 19066 1 1419 . 1 1 119 119 ALA CA C 13 52.601 0.05 . 1 . 545 . . 119 ALA CA . 19066 1 1420 . 1 1 119 119 ALA CB C 13 21.534 0.05 . 1 . 544 . . 119 ALA CB . 19066 1 1421 . 1 1 119 119 ALA N N 15 134.651 0.01 . 1 . 163 . . 119 ALA N . 19066 1 1422 . 1 1 120 120 ILE H H 1 7.630 0.002 . 1 . 614 . . 120 ILE H . 19066 1 1423 . 1 1 120 120 ILE HA H 1 4.207 0.002 . 1 . 1010 . . 120 ILE HA . 19066 1 1424 . 1 1 120 120 ILE HB H 1 1.520 0.002 . 1 . 1011 . . 120 ILE HB . 19066 1 1425 . 1 1 120 120 ILE HG12 H 1 0.772 0.002 . 2 . 1379 . . 120 ILE HG12 . 19066 1 1426 . 1 1 120 120 ILE HG13 H 1 1.563 0.002 . 2 . 1380 . . 120 ILE HG13 . 19066 1 1427 . 1 1 120 120 ILE HG21 H 1 0.700 0.002 . 1 . 1378 . . 120 ILE HG21 . 19066 1 1428 . 1 1 120 120 ILE HG22 H 1 0.700 0.002 . 1 . 1378 . . 120 ILE HG22 . 19066 1 1429 . 1 1 120 120 ILE HG23 H 1 0.700 0.002 . 1 . 1378 . . 120 ILE HG23 . 19066 1 1430 . 1 1 120 120 ILE HD11 H 1 0.254 0.002 . 1 . 1375 . . 120 ILE HD11 . 19066 1 1431 . 1 1 120 120 ILE HD12 H 1 0.254 0.002 . 1 . 1375 . . 120 ILE HD12 . 19066 1 1432 . 1 1 120 120 ILE HD13 H 1 0.254 0.002 . 1 . 1375 . . 120 ILE HD13 . 19066 1 1433 . 1 1 120 120 ILE C C 13 174.141 0.05 . 1 . 740 . . 120 ILE C . 19066 1 1434 . 1 1 120 120 ILE CA C 13 60.887 0.05 . 1 . 617 . . 120 ILE CA . 19066 1 1435 . 1 1 120 120 ILE CB C 13 42.664 0.05 . 1 . 616 . . 120 ILE CB . 19066 1 1436 . 1 1 120 120 ILE CG1 C 13 28.089 0.05 . 1 . 1372 . . 120 ILE CG1 . 19066 1 1437 . 1 1 120 120 ILE CG2 C 13 18.076 0.05 . 1 . 1373 . . 120 ILE CG2 . 19066 1 1438 . 1 1 120 120 ILE CD1 C 13 14.463 0.05 . 1 . 1374 . . 120 ILE CD1 . 19066 1 1439 . 1 1 120 120 ILE N N 15 115.609 0.01 . 1 . 615 . . 120 ILE N . 19066 1 1440 . 1 1 121 121 LYS H H 1 8.427 0.002 . 1 . 38 . . 121 LYS H . 19066 1 1441 . 1 1 121 121 LYS HA H 1 4.635 0.002 . 1 . 1012 . . 121 LYS HA . 19066 1 1442 . 1 1 121 121 LYS HB2 H 1 1.633 0.002 . 2 . 1013 . . 121 LYS HB2 . 19066 1 1443 . 1 1 121 121 LYS HB3 H 1 1.802 0.002 . 2 . 1014 . . 121 LYS HB3 . 19066 1 1444 . 1 1 121 121 LYS HG2 H 1 1.469 0.002 . 2 . 1531 . . 121 LYS HG2 . 19066 1 1445 . 1 1 121 121 LYS HG3 H 1 1.532 0.002 . 2 . 1530 . . 121 LYS HG3 . 19066 1 1446 . 1 1 121 121 LYS HD2 H 1 1.731 0.002 . 1 . 1528 . . 121 LYS HD2 . 19066 1 1447 . 1 1 121 121 LYS HD3 H 1 1.731 0.002 . 1 . 1529 . . 121 LYS HD3 . 19066 1 1448 . 1 1 121 121 LYS HE2 H 1 3.034 0.002 . 1 . 1526 . . 121 LYS HE2 . 19066 1 1449 . 1 1 121 121 LYS HE3 H 1 3.034 0.002 . 1 . 1527 . . 121 LYS HE3 . 19066 1 1450 . 1 1 121 121 LYS C C 13 177.307 0.05 . 1 . 741 . . 121 LYS C . 19066 1 1451 . 1 1 121 121 LYS CA C 13 54.523 0.05 . 1 . 426 . . 121 LYS CA . 19066 1 1452 . 1 1 121 121 LYS CB C 13 33.973 0.05 . 1 . 425 . . 121 LYS CB . 19066 1 1453 . 1 1 121 121 LYS CG C 13 25.093 0.05 . 1 . 1523 . . 121 LYS CG . 19066 1 1454 . 1 1 121 121 LYS CD C 13 29.118 0.05 . 1 . 1524 . . 121 LYS CD . 19066 1 1455 . 1 1 121 121 LYS CE C 13 42.174 0.05 . 1 . 1525 . . 121 LYS CE . 19066 1 1456 . 1 1 121 121 LYS N N 15 125.540 0.01 . 1 . 39 . . 121 LYS N . 19066 1 1457 . 1 1 122 122 ALA H H 1 9.838 0.002 . 1 . 58 . . 122 ALA H . 19066 1 1458 . 1 1 122 122 ALA HA H 1 3.415 0.002 . 1 . 1015 . . 122 ALA HA . 19066 1 1459 . 1 1 122 122 ALA HB1 H 1 1.328 0.002 . 1 . 1016 . . 122 ALA HB1 . 19066 1 1460 . 1 1 122 122 ALA HB2 H 1 1.328 0.002 . 1 . 1016 . . 122 ALA HB2 . 19066 1 1461 . 1 1 122 122 ALA HB3 H 1 1.328 0.002 . 1 . 1016 . . 122 ALA HB3 . 19066 1 1462 . 1 1 122 122 ALA C C 13 177.921 0.05 . 1 . 742 . . 122 ALA C . 19066 1 1463 . 1 1 122 122 ALA CA C 13 54.256 0.05 . 1 . 562 . . 122 ALA CA . 19066 1 1464 . 1 1 122 122 ALA CB C 13 18.660 0.05 . 1 . 563 . . 122 ALA CB . 19066 1 1465 . 1 1 122 122 ALA N N 15 128.950 0.01 . 1 . 59 . . 122 ALA N . 19066 1 1466 . 1 1 123 123 GLY H H 1 9.060 0.002 . 1 . 85 . . 123 GLY H . 19066 1 1467 . 1 1 123 123 GLY HA2 H 1 3.914 0.002 . 2 . 1018 . . 123 GLY HA2 . 19066 1 1468 . 1 1 123 123 GLY HA3 H 1 4.387 0.002 . 2 . 1017 . . 123 GLY HA3 . 19066 1 1469 . 1 1 123 123 GLY C C 13 174.101 0.05 . 1 . 743 . . 123 GLY C . 19066 1 1470 . 1 1 123 123 GLY CA C 13 45.525 0.05 . 1 . 474 . . 123 GLY CA . 19066 1 1471 . 1 1 123 123 GLY N N 15 111.821 0.01 . 1 . 86 . . 123 GLY N . 19066 1 1472 . 1 1 124 124 SER H H 1 8.081 0.002 . 1 . 148 . . 124 SER H . 19066 1 1473 . 1 1 124 124 SER HA H 1 4.608 0.002 . 1 . 1020 . . 124 SER HA . 19066 1 1474 . 1 1 124 124 SER HB2 H 1 4.054 0.002 . 1 . 1019 . . 124 SER HB2 . 19066 1 1475 . 1 1 124 124 SER HB3 H 1 4.054 0.002 . 1 . 1131 . . 124 SER HB3 . 19066 1 1476 . 1 1 124 124 SER C C 13 172.906 0.05 . 1 . 744 . . 124 SER C . 19066 1 1477 . 1 1 124 124 SER CA C 13 57.981 0.05 . 1 . 556 . . 124 SER CA . 19066 1 1478 . 1 1 124 124 SER CB C 13 65.441 0.05 . 1 . 557 . . 124 SER CB . 19066 1 1479 . 1 1 124 124 SER N N 15 114.984 0.01 . 1 . 149 . . 124 SER N . 19066 1 1480 . 1 1 125 125 LEU H H 1 8.254 0.002 . 1 . 632 . . 125 LEU H . 19066 1 1481 . 1 1 125 125 LEU HA H 1 3.548 0.002 . 1 . 1021 . . 125 LEU HA . 19066 1 1482 . 1 1 125 125 LEU HB2 H 1 1.486 0.002 . 2 . 1710 . . 125 LEU HB2 . 19066 1 1483 . 1 1 125 125 LEU HB3 H 1 0.915 0.002 . 2 . 1709 . . 125 LEU HB3 . 19066 1 1484 . 1 1 125 125 LEU HG H 1 0.728 0.002 . 1 . 1711 . . 125 LEU HG . 19066 1 1485 . 1 1 125 125 LEU HD11 H 1 0.075 0.002 . 2 . 1572 . . 125 LEU HD11 . 19066 1 1486 . 1 1 125 125 LEU HD12 H 1 0.075 0.002 . 2 . 1572 . . 125 LEU HD12 . 19066 1 1487 . 1 1 125 125 LEU HD13 H 1 0.075 0.002 . 2 . 1572 . . 125 LEU HD13 . 19066 1 1488 . 1 1 125 125 LEU HD21 H 1 -0.019 0.002 . 2 . 1570 . . 125 LEU HD21 . 19066 1 1489 . 1 1 125 125 LEU HD22 H 1 -0.019 0.002 . 2 . 1570 . . 125 LEU HD22 . 19066 1 1490 . 1 1 125 125 LEU HD23 H 1 -0.019 0.002 . 2 . 1570 . . 125 LEU HD23 . 19066 1 1491 . 1 1 125 125 LEU C C 13 177.501 0.05 . 1 . 783 . . 125 LEU C . 19066 1 1492 . 1 1 125 125 LEU CA C 13 55.227 0.05 . 1 . 634 . . 125 LEU CA . 19066 1 1493 . 1 1 125 125 LEU CB C 13 42.308 0.05 . 1 . 635 . . 125 LEU CB . 19066 1 1494 . 1 1 125 125 LEU CG C 13 26.470 0.05 . 1 . 1712 . . 125 LEU CG . 19066 1 1495 . 1 1 125 125 LEU CD1 C 13 22.213 0.05 . 2 . 1571 . . 125 LEU CD1 . 19066 1 1496 . 1 1 125 125 LEU CD2 C 13 26.019 0.05 . 2 . 1569 . . 125 LEU CD2 . 19066 1 1497 . 1 1 125 125 LEU N N 15 123.897 0.01 . 1 . 633 . . 125 LEU N . 19066 1 1498 . 1 1 126 126 ILE H H 1 9.088 0.002 . 1 . 42 . . 126 ILE H . 19066 1 1499 . 1 1 126 126 ILE HA H 1 4.897 0.002 . 1 . 1022 . . 126 ILE HA . 19066 1 1500 . 1 1 126 126 ILE HB H 1 1.952 0.002 . 1 . 1023 . . 126 ILE HB . 19066 1 1501 . 1 1 126 126 ILE HG12 H 1 0.867 0.002 . 1 . 1387 . . 126 ILE HG12 . 19066 1 1502 . 1 1 126 126 ILE HG13 H 1 0.867 0.002 . 1 . 1385 . . 126 ILE HG13 . 19066 1 1503 . 1 1 126 126 ILE HG21 H 1 0.921 0.002 . 1 . 1384 . . 126 ILE HG21 . 19066 1 1504 . 1 1 126 126 ILE HG22 H 1 0.921 0.002 . 1 . 1384 . . 126 ILE HG22 . 19066 1 1505 . 1 1 126 126 ILE HG23 H 1 0.921 0.002 . 1 . 1384 . . 126 ILE HG23 . 19066 1 1506 . 1 1 126 126 ILE HD11 H 1 0.552 0.002 . 1 . 1382 . . 126 ILE HD11 . 19066 1 1507 . 1 1 126 126 ILE HD12 H 1 0.552 0.002 . 1 . 1382 . . 126 ILE HD12 . 19066 1 1508 . 1 1 126 126 ILE HD13 H 1 0.552 0.002 . 1 . 1382 . . 126 ILE HD13 . 19066 1 1509 . 1 1 126 126 ILE C C 13 175.600 0.05 . 1 . 745 . . 126 ILE C . 19066 1 1510 . 1 1 126 126 ILE CA C 13 60.914 0.05 . 1 . 346 . . 126 ILE CA . 19066 1 1511 . 1 1 126 126 ILE CB C 13 40.044 0.05 . 1 . 347 . . 126 ILE CB . 19066 1 1512 . 1 1 126 126 ILE CG1 C 13 25.703 0.05 . 1 . 1386 . . 126 ILE CG1 . 19066 1 1513 . 1 1 126 126 ILE CG2 C 13 19.109 0.05 . 1 . 1381 . . 126 ILE CG2 . 19066 1 1514 . 1 1 126 126 ILE CD1 C 13 13.897 0.05 . 1 . 1383 . . 126 ILE CD1 . 19066 1 1515 . 1 1 126 126 ILE N N 15 119.644 0.01 . 1 . 43 . . 126 ILE N . 19066 1 1516 . 1 1 127 127 ALA H H 1 7.720 0.002 . 1 . 252 . . 127 ALA H . 19066 1 1517 . 1 1 127 127 ALA HA H 1 5.620 0.002 . 1 . 1024 . . 127 ALA HA . 19066 1 1518 . 1 1 127 127 ALA HB1 H 1 1.353 0.002 . 1 . 1025 . . 127 ALA HB1 . 19066 1 1519 . 1 1 127 127 ALA HB2 H 1 1.353 0.002 . 1 . 1025 . . 127 ALA HB2 . 19066 1 1520 . 1 1 127 127 ALA HB3 H 1 1.353 0.002 . 1 . 1025 . . 127 ALA HB3 . 19066 1 1521 . 1 1 127 127 ALA C C 13 174.757 0.05 . 1 . 746 . . 127 ALA C . 19066 1 1522 . 1 1 127 127 ALA CA C 13 51.961 0.05 . 1 . 344 . . 127 ALA CA . 19066 1 1523 . 1 1 127 127 ALA CB C 13 21.343 0.05 . 1 . 345 . . 127 ALA CB . 19066 1 1524 . 1 1 127 127 ALA N N 15 120.238 0.01 . 1 . 253 . . 127 ALA N . 19066 1 1525 . 1 1 128 128 VAL H H 1 8.548 0.002 . 1 . 203 . . 128 VAL H . 19066 1 1526 . 1 1 128 128 VAL HA H 1 5.101 0.002 . 1 . 1026 . . 128 VAL HA . 19066 1 1527 . 1 1 128 128 VAL HB H 1 2.001 0.002 . 1 . 1027 . . 128 VAL HB . 19066 1 1528 . 1 1 128 128 VAL HG11 H 1 0.946 0.002 . 2 . 1418 . . 128 VAL HG11 . 19066 1 1529 . 1 1 128 128 VAL HG12 H 1 0.946 0.002 . 2 . 1418 . . 128 VAL HG12 . 19066 1 1530 . 1 1 128 128 VAL HG13 H 1 0.946 0.002 . 2 . 1418 . . 128 VAL HG13 . 19066 1 1531 . 1 1 128 128 VAL HG21 H 1 0.853 0.002 . 2 . 1417 . . 128 VAL HG21 . 19066 1 1532 . 1 1 128 128 VAL HG22 H 1 0.853 0.002 . 2 . 1417 . . 128 VAL HG22 . 19066 1 1533 . 1 1 128 128 VAL HG23 H 1 0.853 0.002 . 2 . 1417 . . 128 VAL HG23 . 19066 1 1534 . 1 1 128 128 VAL C C 13 176.093 0.05 . 1 . 1101 . . 128 VAL C . 19066 1 1535 . 1 1 128 128 VAL CA C 13 62.383 0.05 . 1 . 343 . . 128 VAL CA . 19066 1 1536 . 1 1 128 128 VAL CB C 13 35.394 0.05 . 1 . 342 . . 128 VAL CB . 19066 1 1537 . 1 1 128 128 VAL CG1 C 13 22.160 0.05 . 2 . 1689 . . 128 VAL CG1 . 19066 1 1538 . 1 1 128 128 VAL CG2 C 13 20.988 0.05 . 2 . 1416 . . 128 VAL CG2 . 19066 1 1539 . 1 1 128 128 VAL N N 15 119.068 0.01 . 1 . 204 . . 128 VAL N . 19066 1 1540 . 1 1 129 129 LEU H H 1 9.413 0.002 . 1 . 205 . . 129 LEU H . 19066 1 1541 . 1 1 129 129 LEU HA H 1 5.475 0.002 . 1 . 1028 . . 129 LEU HA . 19066 1 1542 . 1 1 129 129 LEU HB2 H 1 2.297 0.002 . 2 . 1029 . . 129 LEU HB2 . 19066 1 1543 . 1 1 129 129 LEU HB3 H 1 1.891 0.002 . 2 . 1030 . . 129 LEU HB3 . 19066 1 1544 . 1 1 129 129 LEU HG H 1 1.878 0.002 . 1 . 1652 . . 129 LEU HG . 19066 1 1545 . 1 1 129 129 LEU HD11 H 1 0.893 0.002 . 2 . 1534 . . 129 LEU HD11 . 19066 1 1546 . 1 1 129 129 LEU HD12 H 1 0.893 0.002 . 2 . 1534 . . 129 LEU HD12 . 19066 1 1547 . 1 1 129 129 LEU HD13 H 1 0.893 0.002 . 2 . 1534 . . 129 LEU HD13 . 19066 1 1548 . 1 1 129 129 LEU HD21 H 1 1.034 0.002 . 2 . 1535 . . 129 LEU HD21 . 19066 1 1549 . 1 1 129 129 LEU HD22 H 1 1.034 0.002 . 2 . 1535 . . 129 LEU HD22 . 19066 1 1550 . 1 1 129 129 LEU HD23 H 1 1.034 0.002 . 2 . 1535 . . 129 LEU HD23 . 19066 1 1551 . 1 1 129 129 LEU C C 13 174.477 0.05 . 1 . 747 . . 129 LEU C . 19066 1 1552 . 1 1 129 129 LEU CA C 13 53.365 0.05 . 1 . 339 . . 129 LEU CA . 19066 1 1553 . 1 1 129 129 LEU CB C 13 44.754 0.05 . 1 . 338 . . 129 LEU CB . 19066 1 1554 . 1 1 129 129 LEU CG C 13 28.063 0.05 . 1 . 1653 . . 129 LEU CG . 19066 1 1555 . 1 1 129 129 LEU CD1 C 13 26.984 0.05 . 2 . 1533 . . 129 LEU CD1 . 19066 1 1556 . 1 1 129 129 LEU CD2 C 13 24.658 0.05 . 2 . 1532 . . 129 LEU CD2 . 19066 1 1557 . 1 1 129 129 LEU N N 15 128.585 0.01 . 1 . 206 . . 129 LEU N . 19066 1 1558 . 1 1 130 130 ILE H H 1 9.091 0.002 . 1 . 73 . . 130 ILE H . 19066 1 1559 . 1 1 130 130 ILE HA H 1 4.691 0.002 . 1 . 1032 . . 130 ILE HA . 19066 1 1560 . 1 1 130 130 ILE HB H 1 1.994 0.002 . 1 . 1031 . . 130 ILE HB . 19066 1 1561 . 1 1 130 130 ILE HG12 H 1 1.617 0.002 . 2 . 1393 . . 130 ILE HG12 . 19066 1 1562 . 1 1 130 130 ILE HG13 H 1 1.097 0.002 . 2 . 1394 . . 130 ILE HG13 . 19066 1 1563 . 1 1 130 130 ILE HG21 H 1 0.820 0.002 . 1 . 1392 . . 130 ILE HG21 . 19066 1 1564 . 1 1 130 130 ILE HG22 H 1 0.820 0.002 . 1 . 1392 . . 130 ILE HG22 . 19066 1 1565 . 1 1 130 130 ILE HG23 H 1 0.820 0.002 . 1 . 1392 . . 130 ILE HG23 . 19066 1 1566 . 1 1 130 130 ILE HD11 H 1 0.803 0.002 . 1 . 1390 . . 130 ILE HD11 . 19066 1 1567 . 1 1 130 130 ILE HD12 H 1 0.803 0.002 . 1 . 1390 . . 130 ILE HD12 . 19066 1 1568 . 1 1 130 130 ILE HD13 H 1 0.803 0.002 . 1 . 1390 . . 130 ILE HD13 . 19066 1 1569 . 1 1 130 130 ILE C C 13 174.014 0.05 . 1 . 748 . . 130 ILE C . 19066 1 1570 . 1 1 130 130 ILE CA C 13 61.470 0.05 . 1 . 336 . . 130 ILE CA . 19066 1 1571 . 1 1 130 130 ILE CB C 13 38.823 0.05 . 1 . 337 . . 130 ILE CB . 19066 1 1572 . 1 1 130 130 ILE CG1 C 13 27.650 0.05 . 1 . 1389 . . 130 ILE CG1 . 19066 1 1573 . 1 1 130 130 ILE CG2 C 13 17.329 0.05 . 1 . 1388 . . 130 ILE CG2 . 19066 1 1574 . 1 1 130 130 ILE CD1 C 13 12.968 0.05 . 1 . 1391 . . 130 ILE CD1 . 19066 1 1575 . 1 1 130 130 ILE N N 15 121.746 0.01 . 1 . 74 . . 130 ILE N . 19066 1 1576 . 1 1 131 131 LEU H H 1 9.363 0.002 . 1 . 46 . . 131 LEU H . 19066 1 1577 . 1 1 131 131 LEU HA H 1 5.234 0.002 . 1 . 1033 . . 131 LEU HA . 19066 1 1578 . 1 1 131 131 LEU HB2 H 1 2.199 0.002 . 2 . 1034 . . 131 LEU HB2 . 19066 1 1579 . 1 1 131 131 LEU HB3 H 1 0.918 0.002 . 2 . 1035 . . 131 LEU HB3 . 19066 1 1580 . 1 1 131 131 LEU HG H 1 1.204 0.002 . 1 . 1540 . . 131 LEU HG . 19066 1 1581 . 1 1 131 131 LEU HD11 H 1 0.533 0.002 . 2 . 1538 . . 131 LEU HD11 . 19066 1 1582 . 1 1 131 131 LEU HD12 H 1 0.533 0.002 . 2 . 1538 . . 131 LEU HD12 . 19066 1 1583 . 1 1 131 131 LEU HD13 H 1 0.533 0.002 . 2 . 1538 . . 131 LEU HD13 . 19066 1 1584 . 1 1 131 131 LEU HD21 H 1 -0.370 0.002 . 2 . 1539 . . 131 LEU HD21 . 19066 1 1585 . 1 1 131 131 LEU HD22 H 1 -0.370 0.002 . 2 . 1539 . . 131 LEU HD22 . 19066 1 1586 . 1 1 131 131 LEU HD23 H 1 -0.370 0.002 . 2 . 1539 . . 131 LEU HD23 . 19066 1 1587 . 1 1 131 131 LEU C C 13 174.681 0.05 . 1 . 749 . . 131 LEU C . 19066 1 1588 . 1 1 131 131 LEU CA C 13 54.465 0.05 . 1 . 335 . . 131 LEU CA . 19066 1 1589 . 1 1 131 131 LEU CB C 13 43.914 0.05 . 1 . 334 . . 131 LEU CB . 19066 1 1590 . 1 1 131 131 LEU CG C 13 27.319 0.05 . 1 . 1722 . . 131 LEU CG . 19066 1 1591 . 1 1 131 131 LEU CD1 C 13 24.332 0.05 . 2 . 1536 . . 131 LEU CD1 . 19066 1 1592 . 1 1 131 131 LEU CD2 C 13 26.096 0.05 . 2 . 1537 . . 131 LEU CD2 . 19066 1 1593 . 1 1 131 131 LEU N N 15 134.660 0.01 . 1 . 47 . . 131 LEU N . 19066 1 1594 . 1 1 132 132 ARG H H 1 9.053 0.002 . 1 . 146 . . 132 ARG H . 19066 1 1595 . 1 1 132 132 ARG HA H 1 5.404 0.002 . 1 . 1036 . . 132 ARG HA . 19066 1 1596 . 1 1 132 132 ARG HB2 H 1 1.482 0.002 . 2 . 1038 . . 132 ARG HB2 . 19066 1 1597 . 1 1 132 132 ARG HB3 H 1 2.142 0.002 . 2 . 1037 . . 132 ARG HB3 . 19066 1 1598 . 1 1 132 132 ARG HG2 H 1 1.311 0.002 . 1 . 1448 . . 132 ARG HG2 . 19066 1 1599 . 1 1 132 132 ARG HG3 H 1 1.311 0.002 . 1 . 1449 . . 132 ARG HG3 . 19066 1 1600 . 1 1 132 132 ARG HD2 H 1 2.808 0.002 . 2 . 1447 . . 132 ARG HD2 . 19066 1 1601 . 1 1 132 132 ARG HD3 H 1 3.180 0.002 . 2 . 1450 . . 132 ARG HD3 . 19066 1 1602 . 1 1 132 132 ARG HE H 1 8.577 0.002 . 1 . 1562 . . 132 ARG HE . 19066 1 1603 . 1 1 132 132 ARG C C 13 173.870 0.05 . 1 . 750 . . 132 ARG C . 19066 1 1604 . 1 1 132 132 ARG CA C 13 54.695 0.05 . 1 . 333 . . 132 ARG CA . 19066 1 1605 . 1 1 132 132 ARG CB C 13 32.449 0.05 . 1 . 332 . . 132 ARG CB . 19066 1 1606 . 1 1 132 132 ARG CG C 13 26.652 0.05 . 1 . 1445 . . 132 ARG CG . 19066 1 1607 . 1 1 132 132 ARG CD C 13 44.606 0.05 . 1 . 1446 . . 132 ARG CD . 19066 1 1608 . 1 1 132 132 ARG N N 15 130.027 0.01 . 1 . 147 . . 132 ARG N . 19066 1 1609 . 1 1 132 132 ARG NE N 15 86.436 0.01 . 1 . 1563 . . 132 ARG NE . 19066 1 1610 . 1 1 133 133 GLN H H 1 9.483 0.002 . 1 . 5 . . 133 GLN H . 19066 1 1611 . 1 1 133 133 GLN HA H 1 5.400 0.002 . 1 . 1040 . . 133 GLN HA . 19066 1 1612 . 1 1 133 133 GLN HB2 H 1 2.175 0.002 . 1 . 1132 . . 133 GLN HB2 . 19066 1 1613 . 1 1 133 133 GLN HB3 H 1 2.175 0.002 . 1 . 1039 . . 133 GLN HB3 . 19066 1 1614 . 1 1 133 133 GLN HE21 H 1 7.021 0.002 . 1 . 1723 . . 133 GLN HE21 . 19066 1 1615 . 1 1 133 133 GLN HE22 H 1 6.077 0.002 . 1 . 207 . . 133 GLN HE22 . 19066 1 1616 . 1 1 133 133 GLN C C 13 173.485 0.05 . 1 . 751 . . 133 GLN C . 19066 1 1617 . 1 1 133 133 GLN CA C 13 54.504 0.05 . 1 . 473 . . 133 GLN CA . 19066 1 1618 . 1 1 133 133 GLN CB C 13 29.737 0.05 . 1 . 472 . . 133 GLN CB . 19066 1 1619 . 1 1 133 133 GLN CD C 13 178.345 0.05 . 1 . 1579 . . 133 GLN CD . 19066 1 1620 . 1 1 133 133 GLN N N 15 132.787 0.01 . 1 . 6 . . 133 GLN N . 19066 1 1621 . 1 1 133 133 GLN NE2 N 15 110.218 0.01 . 1 . 208 . . 133 GLN NE2 . 19066 1 1622 . 1 1 134 134 THR H H 1 8.878 0.002 . 1 . 304 . . 134 THR H . 19066 1 1623 . 1 1 134 134 THR HA H 1 4.918 0.002 . 1 . 1041 . . 134 THR HA . 19066 1 1624 . 1 1 134 134 THR HB H 1 4.667 0.002 . 1 . 1042 . . 134 THR HB . 19066 1 1625 . 1 1 134 134 THR C C 13 174.933 0.05 . 1 . 752 . . 134 THR C . 19066 1 1626 . 1 1 134 134 THR CA C 13 59.946 0.05 . 1 . 471 . . 134 THR CA . 19066 1 1627 . 1 1 134 134 THR CB C 13 72.332 0.05 . 1 . 564 . . 134 THR CB . 19066 1 1628 . 1 1 134 134 THR N N 15 117.823 0.01 . 1 . 305 . . 134 THR N . 19066 1 1629 . 1 1 135 135 ASN H H 1 9.796 0.002 . 1 . 138 . . 135 ASN H . 19066 1 1630 . 1 1 135 135 ASN HA H 1 5.346 0.002 . 1 . 1045 . . 135 ASN HA . 19066 1 1631 . 1 1 135 135 ASN HB2 H 1 3.242 0.002 . 2 . 1044 . . 135 ASN HB2 . 19066 1 1632 . 1 1 135 135 ASN HB3 H 1 3.006 0.002 . 2 . 1043 . . 135 ASN HB3 . 19066 1 1633 . 1 1 135 135 ASN HD21 H 1 7.777 0.002 . 1 . 48 . . 135 ASN HD21 . 19066 1 1634 . 1 1 135 135 ASN HD22 H 1 7.651 0.002 . 1 . 1565 . . 135 ASN HD22 . 19066 1 1635 . 1 1 135 135 ASN C C 13 175.412 0.05 . 1 . 1093 . . 135 ASN C . 19066 1 1636 . 1 1 135 135 ASN CA C 13 54.310 0.05 . 1 . 565 . . 135 ASN CA . 19066 1 1637 . 1 1 135 135 ASN CB C 13 41.952 0.05 . 1 . 566 . . 135 ASN CB . 19066 1 1638 . 1 1 135 135 ASN CG C 13 177.839 0.05 . 1 . 1580 . . 135 ASN CG . 19066 1 1639 . 1 1 135 135 ASN N N 15 117.770 0.01 . 1 . 139 . . 135 ASN N . 19066 1 1640 . 1 1 135 135 ASN ND2 N 15 116.811 0.01 . 1 . 1564 . . 135 ASN ND2 . 19066 1 1641 . 1 1 136 136 ASN H H 1 8.343 0.002 . 1 . 628 . . 136 ASN H . 19066 1 1642 . 1 1 136 136 ASN HA H 1 5.043 0.002 . 1 . 1046 . . 136 ASN HA . 19066 1 1643 . 1 1 136 136 ASN HB2 H 1 2.860 0.002 . 2 . 1542 . . 136 ASN HB2 . 19066 1 1644 . 1 1 136 136 ASN HB3 H 1 3.494 0.002 . 2 . 1541 . . 136 ASN HB3 . 19066 1 1645 . 1 1 136 136 ASN HD21 H 1 7.176 0.002 . 1 . 1543 . . 136 ASN HD21 . 19066 1 1646 . 1 1 136 136 ASN HD22 H 1 7.783 0.002 . 1 . 271 . . 136 ASN HD22 . 19066 1 1647 . 1 1 136 136 ASN C C 13 175.329 0.05 . 1 . 753 . . 136 ASN C . 19066 1 1648 . 1 1 136 136 ASN CA C 13 52.471 0.05 . 1 . 630 . . 136 ASN CA . 19066 1 1649 . 1 1 136 136 ASN CB C 13 38.519 0.05 . 1 . 631 . . 136 ASN CB . 19066 1 1650 . 1 1 136 136 ASN CG C 13 178.603 0.05 . 1 . 1581 . . 136 ASN CG . 19066 1 1651 . 1 1 136 136 ASN N N 15 115.954 0.01 . 1 . 629 . . 136 ASN N . 19066 1 1652 . 1 1 136 136 ASN ND2 N 15 112.342 0.01 . 1 . 258 . . 136 ASN ND2 . 19066 1 1653 . 1 1 137 137 TYR H H 1 9.228 0.002 . 1 . 219 . . 137 TYR H . 19066 1 1654 . 1 1 137 137 TYR HA H 1 4.817 0.002 . 1 . 1047 . . 137 TYR HA . 19066 1 1655 . 1 1 137 137 TYR HD1 H 1 7.048 0.002 . 3 . 1150 . . 137 TYR HD1 . 19066 1 1656 . 1 1 137 137 TYR HD2 H 1 7.048 0.002 . 3 . 1151 . . 137 TYR HD2 . 19066 1 1657 . 1 1 137 137 TYR HE1 H 1 6.813 0.002 . 3 . 1148 . . 137 TYR HE1 . 19066 1 1658 . 1 1 137 137 TYR HE2 H 1 6.813 0.002 . 3 . 1149 . . 137 TYR HE2 . 19066 1 1659 . 1 1 137 137 TYR C C 13 174.389 0.05 . 1 . 754 . . 137 TYR C . 19066 1 1660 . 1 1 137 137 TYR CA C 13 58.885 0.05 . 1 . 1147 . . 137 TYR CA . 19066 1 1661 . 1 1 137 137 TYR CB C 13 44.040 0.05 . 1 . 1146 . . 137 TYR CB . 19066 1 1662 . 1 1 137 137 TYR CD1 C 13 133.173 0.05 . 3 . 1277 . . 137 TYR CD1 . 19066 1 1663 . 1 1 137 137 TYR CD2 C 13 133.173 0.05 . 3 . 1278 . . 137 TYR CD2 . 19066 1 1664 . 1 1 137 137 TYR CE1 C 13 118.142 0.05 . 3 . 1643 . . 137 TYR CE1 . 19066 1 1665 . 1 1 137 137 TYR CE2 C 13 118.142 0.05 . 3 . 1644 . . 137 TYR CE2 . 19066 1 1666 . 1 1 137 137 TYR N N 15 123.044 0.01 . 1 . 220 . . 137 TYR N . 19066 1 1667 . 1 1 138 138 ASN H H 1 9.423 0.002 . 1 . 301 . . 138 ASN H . 19066 1 1668 . 1 1 138 138 ASN HA H 1 4.752 0.002 . 1 . 1050 . . 138 ASN HA . 19066 1 1669 . 1 1 138 138 ASN HB2 H 1 2.559 0.002 . 2 . 1048 . . 138 ASN HB2 . 19066 1 1670 . 1 1 138 138 ASN HB3 H 1 3.280 0.002 . 2 . 1049 . . 138 ASN HB3 . 19066 1 1671 . 1 1 138 138 ASN HD21 H 1 7.709 0.002 . 1 . 1544 . . 138 ASN HD21 . 19066 1 1672 . 1 1 138 138 ASN HD22 H 1 6.979 0.002 . 1 . 188 . . 138 ASN HD22 . 19066 1 1673 . 1 1 138 138 ASN C C 13 175.758 0.05 . 1 . 755 . . 138 ASN C . 19066 1 1674 . 1 1 138 138 ASN CA C 13 51.933 0.05 . 1 . 365 . . 138 ASN CA . 19066 1 1675 . 1 1 138 138 ASN CB C 13 39.123 0.05 . 1 . 366 . . 138 ASN CB . 19066 1 1676 . 1 1 138 138 ASN CG C 13 177.109 0.05 . 1 . 1582 . . 138 ASN CG . 19066 1 1677 . 1 1 138 138 ASN N N 15 121.276 0.01 . 1 . 302 . . 138 ASN N . 19066 1 1678 . 1 1 138 138 ASN ND2 N 15 111.411 0.01 . 1 . 60 . . 138 ASN ND2 . 19066 1 1679 . 1 1 139 139 SER H H 1 7.863 0.002 . 1 . 136 . . 139 SER H . 19066 1 1680 . 1 1 139 139 SER HA H 1 4.543 0.002 . 1 . 1051 . . 139 SER HA . 19066 1 1681 . 1 1 139 139 SER HB2 H 1 3.846 0.002 . 2 . 1052 . . 139 SER HB2 . 19066 1 1682 . 1 1 139 139 SER HB3 H 1 4.001 0.002 . 2 . 1053 . . 139 SER HB3 . 19066 1 1683 . 1 1 139 139 SER C C 13 174.443 0.05 . 1 . 756 . . 139 SER C . 19066 1 1684 . 1 1 139 139 SER CA C 13 57.775 0.05 . 1 . 363 . . 139 SER CA . 19066 1 1685 . 1 1 139 139 SER CB C 13 63.545 0.05 . 1 . 364 . . 139 SER CB . 19066 1 1686 . 1 1 139 139 SER N N 15 111.667 0.01 . 1 . 137 . . 139 SER N . 19066 1 1687 . 1 1 140 140 ASP H H 1 7.753 0.002 . 1 . 134 . . 140 ASP H . 19066 1 1688 . 1 1 140 140 ASP HA H 1 3.617 0.002 . 1 . 1056 . . 140 ASP HA . 19066 1 1689 . 1 1 140 140 ASP HB2 H 1 1.999 0.002 . 2 . 1055 . . 140 ASP HB2 . 19066 1 1690 . 1 1 140 140 ASP HB3 H 1 2.338 0.002 . 2 . 1054 . . 140 ASP HB3 . 19066 1 1691 . 1 1 140 140 ASP C C 13 175.416 0.05 . 1 . 757 . . 140 ASP C . 19066 1 1692 . 1 1 140 140 ASP CA C 13 55.810 0.05 . 1 . 361 . . 140 ASP CA . 19066 1 1693 . 1 1 140 140 ASP CB C 13 40.950 0.05 . 1 . 362 . . 140 ASP CB . 19066 1 1694 . 1 1 140 140 ASP N N 15 124.146 0.01 . 1 . 135 . . 140 ASP N . 19066 1 1695 . 1 1 141 141 ASP H H 1 6.690 0.002 . 1 . 195 . . 141 ASP H . 19066 1 1696 . 1 1 141 141 ASP HA H 1 4.811 0.002 . 1 . 1467 . . 141 ASP HA . 19066 1 1697 . 1 1 141 141 ASP HB2 H 1 2.626 0.002 . 2 . 1468 . . 141 ASP HB2 . 19066 1 1698 . 1 1 141 141 ASP HB3 H 1 2.291 0.002 . 2 . 1469 . . 141 ASP HB3 . 19066 1 1699 . 1 1 141 141 ASP C C 13 175.148 0.05 . 1 . 779 . . 141 ASP C . 19066 1 1700 . 1 1 141 141 ASP CA C 13 53.247 0.05 . 1 . 359 . . 141 ASP CA . 19066 1 1701 . 1 1 141 141 ASP CB C 13 40.118 0.05 . 1 . 360 . . 141 ASP CB . 19066 1 1702 . 1 1 141 141 ASP N N 15 121.767 0.01 . 1 . 196 . . 141 ASP N . 19066 1 1703 . 1 1 142 142 PHE H H 1 8.995 0.002 . 1 . 243 . . 142 PHE H . 19066 1 1704 . 1 1 142 142 PHE HA H 1 5.423 0.002 . 1 . 1059 . . 142 PHE HA . 19066 1 1705 . 1 1 142 142 PHE HB2 H 1 2.746 0.002 . 2 . 1058 . . 142 PHE HB2 . 19066 1 1706 . 1 1 142 142 PHE HB3 H 1 3.040 0.002 . 2 . 1057 . . 142 PHE HB3 . 19066 1 1707 . 1 1 142 142 PHE HD1 H 1 7.571 0.002 . 3 . 1352 . . 142 PHE HD1 . 19066 1 1708 . 1 1 142 142 PHE HD2 H 1 7.571 0.002 . 3 . 1353 . . 142 PHE HD2 . 19066 1 1709 . 1 1 142 142 PHE HE1 H 1 7.362 0.002 . 3 . 1354 . . 142 PHE HE1 . 19066 1 1710 . 1 1 142 142 PHE HE2 H 1 7.362 0.002 . 3 . 1355 . . 142 PHE HE2 . 19066 1 1711 . 1 1 142 142 PHE HZ H 1 7.236 0.002 . 1 . 1356 . . 142 PHE HZ . 19066 1 1712 . 1 1 142 142 PHE C C 13 175.124 0.05 . 1 . 758 . . 142 PHE C . 19066 1 1713 . 1 1 142 142 PHE CA C 13 54.749 0.05 . 1 . 357 . . 142 PHE CA . 19066 1 1714 . 1 1 142 142 PHE CB C 13 43.252 0.05 . 1 . 358 . . 142 PHE CB . 19066 1 1715 . 1 1 142 142 PHE CD1 C 13 132.238 0.05 . 3 . 1350 . . 142 PHE CD1 . 19066 1 1716 . 1 1 142 142 PHE CD2 C 13 132.238 0.05 . 3 . 1351 . . 142 PHE CD2 . 19066 1 1717 . 1 1 142 142 PHE CE1 C 13 131.011 0.05 . 3 . 1309 . . 142 PHE CE1 . 19066 1 1718 . 1 1 142 142 PHE CE2 C 13 131.011 0.05 . 3 . 1310 . . 142 PHE CE2 . 19066 1 1719 . 1 1 142 142 PHE CZ C 13 129.741 0.05 . 1 . 1357 . . 142 PHE CZ . 19066 1 1720 . 1 1 142 142 PHE N N 15 123.256 0.01 . 1 . 244 . . 142 PHE N . 19066 1 1721 . 1 1 143 143 GLN H H 1 8.839 0.002 . 1 . 178 . . 143 GLN H . 19066 1 1722 . 1 1 143 143 GLN HA H 1 5.287 0.002 . 1 . 1062 . . 143 GLN HA . 19066 1 1723 . 1 1 143 143 GLN HB2 H 1 1.963 0.002 . 2 . 1061 . . 143 GLN HB2 . 19066 1 1724 . 1 1 143 143 GLN HB3 H 1 1.602 0.002 . 2 . 1060 . . 143 GLN HB3 . 19066 1 1725 . 1 1 143 143 GLN HG2 H 1 2.520 0.002 . 2 . 1546 . . 143 GLN HG2 . 19066 1 1726 . 1 1 143 143 GLN HG3 H 1 2.079 0.002 . 2 . 1547 . . 143 GLN HG3 . 19066 1 1727 . 1 1 143 143 GLN HE21 H 1 7.774 0.002 . 1 . 1730 . . 143 GLN HE21 . 19066 1 1728 . 1 1 143 143 GLN HE22 H 1 6.619 0.002 . 1 . 249 . . 143 GLN HE22 . 19066 1 1729 . 1 1 143 143 GLN C C 13 174.858 0.05 . 1 . 759 . . 143 GLN C . 19066 1 1730 . 1 1 143 143 GLN CA C 13 54.824 0.05 . 1 . 356 . . 143 GLN CA . 19066 1 1731 . 1 1 143 143 GLN CB C 13 31.314 0.05 . 1 . 355 . . 143 GLN CB . 19066 1 1732 . 1 1 143 143 GLN CG C 13 34.358 0.05 . 1 . 1545 . . 143 GLN CG . 19066 1 1733 . 1 1 143 143 GLN CD C 13 180.259 0.05 . 1 . 1583 . . 143 GLN CD . 19066 1 1734 . 1 1 143 143 GLN N N 15 118.106 0.01 . 1 . 179 . . 143 GLN N . 19066 1 1735 . 1 1 143 143 GLN NE2 N 15 112.012 0.01 . 1 . 1548 . . 143 GLN NE2 . 19066 1 1736 . 1 1 144 144 PHE H H 1 9.942 0.002 . 1 . 122 . . 144 PHE H . 19066 1 1737 . 1 1 144 144 PHE HA H 1 4.403 0.002 . 1 . 1065 . . 144 PHE HA . 19066 1 1738 . 1 1 144 144 PHE HB2 H 1 2.106 0.002 . 2 . 1063 . . 144 PHE HB2 . 19066 1 1739 . 1 1 144 144 PHE HB3 H 1 3.454 0.002 . 2 . 1064 . . 144 PHE HB3 . 19066 1 1740 . 1 1 144 144 PHE HD1 H 1 6.981 0.002 . 3 . 1358 . . 144 PHE HD1 . 19066 1 1741 . 1 1 144 144 PHE HD2 H 1 6.981 0.002 . 3 . 1359 . . 144 PHE HD2 . 19066 1 1742 . 1 1 144 144 PHE HE1 H 1 7.287 0.002 . 3 . 1639 . . 144 PHE HE1 . 19066 1 1743 . 1 1 144 144 PHE HE2 H 1 7.287 0.002 . 3 . 1640 . . 144 PHE HE2 . 19066 1 1744 . 1 1 144 144 PHE C C 13 172.430 0.05 . 1 . 760 . . 144 PHE C . 19066 1 1745 . 1 1 144 144 PHE CA C 13 56.450 0.05 . 1 . 354 . . 144 PHE CA . 19066 1 1746 . 1 1 144 144 PHE CB C 13 39.782 0.05 . 1 . 353 . . 144 PHE CB . 19066 1 1747 . 1 1 144 144 PHE CD1 C 13 131.603 0.05 . 3 . 1360 . . 144 PHE CD1 . 19066 1 1748 . 1 1 144 144 PHE CD2 C 13 131.603 0.05 . 3 . 1361 . . 144 PHE CD2 . 19066 1 1749 . 1 1 144 144 PHE CE1 C 13 131.509 0.05 . 3 . 1654 . . 144 PHE CE1 . 19066 1 1750 . 1 1 144 144 PHE CE2 C 13 131.509 0.05 . 3 . 1655 . . 144 PHE CE2 . 19066 1 1751 . 1 1 144 144 PHE N N 15 127.326 0.01 . 1 . 123 . . 144 PHE N . 19066 1 1752 . 1 1 145 145 VAL H H 1 8.788 0.002 . 1 . 15 . . 145 VAL H . 19066 1 1753 . 1 1 145 145 VAL HA H 1 3.929 0.002 . 1 . 1067 . . 145 VAL HA . 19066 1 1754 . 1 1 145 145 VAL HB H 1 1.864 0.002 . 1 . 1066 . . 145 VAL HB . 19066 1 1755 . 1 1 145 145 VAL HG11 H 1 0.741 0.002 . 1 . 1422 . . 145 VAL HG11 . 19066 1 1756 . 1 1 145 145 VAL HG12 H 1 0.741 0.002 . 1 . 1422 . . 145 VAL HG12 . 19066 1 1757 . 1 1 145 145 VAL HG13 H 1 0.741 0.002 . 1 . 1422 . . 145 VAL HG13 . 19066 1 1758 . 1 1 145 145 VAL HG21 H 1 0.741 0.002 . 1 . 1421 . . 145 VAL HG21 . 19066 1 1759 . 1 1 145 145 VAL HG22 H 1 0.741 0.002 . 1 . 1421 . . 145 VAL HG22 . 19066 1 1760 . 1 1 145 145 VAL HG23 H 1 0.741 0.002 . 1 . 1421 . . 145 VAL HG23 . 19066 1 1761 . 1 1 145 145 VAL C C 13 173.220 0.05 . 1 . 761 . . 145 VAL C . 19066 1 1762 . 1 1 145 145 VAL CA C 13 63.038 0.05 . 1 . 508 . . 145 VAL CA . 19066 1 1763 . 1 1 145 145 VAL CB C 13 32.224 0.05 . 1 . 507 . . 145 VAL CB . 19066 1 1764 . 1 1 145 145 VAL CG1 C 13 21.043 0.05 . 1 . 1419 . . 145 VAL CG1 . 19066 1 1765 . 1 1 145 145 VAL CG2 C 13 21.043 0.05 . 1 . 1420 . . 145 VAL CG2 . 19066 1 1766 . 1 1 145 145 VAL N N 15 125.243 0.01 . 1 . 16 . . 145 VAL N . 19066 1 1767 . 1 1 146 146 TRP H H 1 8.783 0.002 . 1 . 184 . . 146 TRP H . 19066 1 1768 . 1 1 146 146 TRP HA H 1 5.217 0.002 . 1 . 1156 . . 146 TRP HA . 19066 1 1769 . 1 1 146 146 TRP HB2 H 1 3.463 0.002 . 2 . 1154 . . 146 TRP HB2 . 19066 1 1770 . 1 1 146 146 TRP HB3 H 1 2.958 0.002 . 2 . 1155 . . 146 TRP HB3 . 19066 1 1771 . 1 1 146 146 TRP HD1 H 1 7.010 0.002 . 1 . 1091 . . 146 TRP HD1 . 19066 1 1772 . 1 1 146 146 TRP HE1 H 1 7.086 0.002 . 1 . 182 . . 146 TRP HE1 . 19066 1 1773 . 1 1 146 146 TRP HE3 H 1 7.252 0.002 . 1 . 1628 . . 146 TRP HE3 . 19066 1 1774 . 1 1 146 146 TRP HZ2 H 1 6.831 0.002 . 1 . 1622 . . 146 TRP HZ2 . 19066 1 1775 . 1 1 146 146 TRP HZ3 H 1 6.637 0.002 . 1 . 1627 . . 146 TRP HZ3 . 19066 1 1776 . 1 1 146 146 TRP HH2 H 1 6.558 0.002 . 1 . 1625 . . 146 TRP HH2 . 19066 1 1777 . 1 1 146 146 TRP C C 13 174.685 0.05 . 1 . 782 . . 146 TRP C . 19066 1 1778 . 1 1 146 146 TRP CA C 13 54.076 0.05 . 1 . 572 . . 146 TRP CA . 19066 1 1779 . 1 1 146 146 TRP CB C 13 30.118 0.05 . 1 . 571 . . 146 TRP CB . 19066 1 1780 . 1 1 146 146 TRP CD1 C 13 129.345 0.05 . 1 . 1264 . . 146 TRP CD1 . 19066 1 1781 . 1 1 146 146 TRP CE3 C 13 120.645 0.05 . 1 . 1630 . . 146 TRP CE3 . 19066 1 1782 . 1 1 146 146 TRP CZ2 C 13 113.464 0.05 . 1 . 1621 . . 146 TRP CZ2 . 19066 1 1783 . 1 1 146 146 TRP CZ3 C 13 122.115 0.05 . 1 . 1629 . . 146 TRP CZ3 . 19066 1 1784 . 1 1 146 146 TRP CH2 C 13 123.267 0.05 . 1 . 1626 . . 146 TRP CH2 . 19066 1 1785 . 1 1 146 146 TRP N N 15 126.720 0.01 . 1 . 185 . . 146 TRP N . 19066 1 1786 . 1 1 146 146 TRP NE1 N 15 122.610 0.01 . 1 . 183 . . 146 TRP NE1 . 19066 1 1787 . 1 1 147 147 ASN H H 1 9.019 0.002 . 1 . 575 . . 147 ASN H . 19066 1 1788 . 1 1 147 147 ASN HA H 1 5.013 0.002 . 1 . 1070 . . 147 ASN HA . 19066 1 1789 . 1 1 147 147 ASN HB2 H 1 3.546 0.002 . 2 . 1069 . . 147 ASN HB2 . 19066 1 1790 . 1 1 147 147 ASN HB3 H 1 2.259 0.002 . 2 . 1068 . . 147 ASN HB3 . 19066 1 1791 . 1 1 147 147 ASN HD21 H 1 6.312 0.002 . 1 . 236 . . 147 ASN HD21 . 19066 1 1792 . 1 1 147 147 ASN HD22 H 1 6.679 0.002 . 1 . 51 . . 147 ASN HD22 . 19066 1 1793 . 1 1 147 147 ASN C C 13 172.974 0.05 . 1 . 762 . . 147 ASN C . 19066 1 1794 . 1 1 147 147 ASN CA C 13 52.991 0.05 . 1 . 578 . . 147 ASN CA . 19066 1 1795 . 1 1 147 147 ASN CB C 13 40.039 0.05 . 1 . 577 . . 147 ASN CB . 19066 1 1796 . 1 1 147 147 ASN CG C 13 175.232 0.05 . 1 . 1584 . . 147 ASN CG . 19066 1 1797 . 1 1 147 147 ASN N N 15 124.967 0.01 . 1 . 576 . . 147 ASN N . 19066 1 1798 . 1 1 147 147 ASN ND2 N 15 110.623 0.01 . 1 . 1549 . . 147 ASN ND2 . 19066 1 1799 . 1 1 148 148 ILE H H 1 9.237 0.002 . 1 . 77 . . 148 ILE H . 19066 1 1800 . 1 1 148 148 ILE HA H 1 4.761 0.002 . 1 . 1072 . . 148 ILE HA . 19066 1 1801 . 1 1 148 148 ILE HB H 1 2.154 0.002 . 1 . 1071 . . 148 ILE HB . 19066 1 1802 . 1 1 148 148 ILE HG12 H 1 1.110 0.002 . 2 . 1725 . . 148 ILE HG12 . 19066 1 1803 . 1 1 148 148 ILE HG13 H 1 1.682 0.002 . 2 . 1724 . . 148 ILE HG13 . 19066 1 1804 . 1 1 148 148 ILE HG21 H 1 0.712 0.002 . 1 . 1399 . . 148 ILE HG21 . 19066 1 1805 . 1 1 148 148 ILE HG22 H 1 0.712 0.002 . 1 . 1399 . . 148 ILE HG22 . 19066 1 1806 . 1 1 148 148 ILE HG23 H 1 0.712 0.002 . 1 . 1399 . . 148 ILE HG23 . 19066 1 1807 . 1 1 148 148 ILE HD11 H 1 0.719 0.002 . 1 . 1397 . . 148 ILE HD11 . 19066 1 1808 . 1 1 148 148 ILE HD12 H 1 0.719 0.002 . 1 . 1397 . . 148 ILE HD12 . 19066 1 1809 . 1 1 148 148 ILE HD13 H 1 0.719 0.002 . 1 . 1397 . . 148 ILE HD13 . 19066 1 1810 . 1 1 148 148 ILE C C 13 173.725 0.05 . 1 . 763 . . 148 ILE C . 19066 1 1811 . 1 1 148 148 ILE CA C 13 58.922 0.05 . 1 . 368 . . 148 ILE CA . 19066 1 1812 . 1 1 148 148 ILE CB C 13 35.807 0.05 . 1 . 367 . . 148 ILE CB . 19066 1 1813 . 1 1 148 148 ILE CG1 C 13 27.102 0.05 . 1 . 1395 . . 148 ILE CG1 . 19066 1 1814 . 1 1 148 148 ILE CG2 C 13 18.599 0.05 . 1 . 1396 . . 148 ILE CG2 . 19066 1 1815 . 1 1 148 148 ILE CD1 C 13 11.070 0.05 . 1 . 1398 . . 148 ILE CD1 . 19066 1 1816 . 1 1 148 148 ILE N N 15 124.552 0.01 . 1 . 78 . . 148 ILE N . 19066 1 1817 . 1 1 149 149 TYR H H 1 9.327 0.002 . 1 . 17 . . 149 TYR H . 19066 1 1818 . 1 1 149 149 TYR HA H 1 5.083 0.002 . 1 . 1075 . . 149 TYR HA . 19066 1 1819 . 1 1 149 149 TYR HB2 H 1 2.246 0.002 . 2 . 1073 . . 149 TYR HB2 . 19066 1 1820 . 1 1 149 149 TYR HB3 H 1 1.875 0.002 . 2 . 1074 . . 149 TYR HB3 . 19066 1 1821 . 1 1 149 149 TYR HD1 H 1 6.647 0.002 . 3 . 1164 . . 149 TYR HD1 . 19066 1 1822 . 1 1 149 149 TYR HD2 H 1 6.647 0.002 . 3 . 1165 . . 149 TYR HD2 . 19066 1 1823 . 1 1 149 149 TYR HE1 H 1 6.565 0.002 . 3 . 1166 . . 149 TYR HE1 . 19066 1 1824 . 1 1 149 149 TYR HE2 H 1 6.565 0.002 . 3 . 1167 . . 149 TYR HE2 . 19066 1 1825 . 1 1 149 149 TYR C C 13 175.446 0.05 . 1 . 764 . . 149 TYR C . 19066 1 1826 . 1 1 149 149 TYR CA C 13 56.326 0.05 . 1 . 397 . . 149 TYR CA . 19066 1 1827 . 1 1 149 149 TYR CB C 13 42.430 0.05 . 1 . 396 . . 149 TYR CB . 19066 1 1828 . 1 1 149 149 TYR CD1 C 13 133.303 0.05 . 3 . 1273 . . 149 TYR CD1 . 19066 1 1829 . 1 1 149 149 TYR CD2 C 13 133.303 0.05 . 3 . 1274 . . 149 TYR CD2 . 19066 1 1830 . 1 1 149 149 TYR CE1 C 13 117.715 0.05 . 3 . 1275 . . 149 TYR CE1 . 19066 1 1831 . 1 1 149 149 TYR CE2 C 13 117.715 0.05 . 3 . 1276 . . 149 TYR CE2 . 19066 1 1832 . 1 1 149 149 TYR N N 15 127.261 0.01 . 1 . 18 . . 149 TYR N . 19066 1 1833 . 1 1 150 150 ALA H H 1 8.580 0.002 . 1 . 158 . . 150 ALA H . 19066 1 1834 . 1 1 150 150 ALA HA H 1 4.412 0.002 . 1 . 1076 . . 150 ALA HA . 19066 1 1835 . 1 1 150 150 ALA HB1 H 1 1.460 0.002 . 1 . 1077 . . 150 ALA HB1 . 19066 1 1836 . 1 1 150 150 ALA HB2 H 1 1.460 0.002 . 1 . 1077 . . 150 ALA HB2 . 19066 1 1837 . 1 1 150 150 ALA HB3 H 1 1.460 0.002 . 1 . 1077 . . 150 ALA HB3 . 19066 1 1838 . 1 1 150 150 ALA C C 13 179.270 0.05 . 1 . 765 . . 150 ALA C . 19066 1 1839 . 1 1 150 150 ALA CA C 13 51.517 0.05 . 1 . 395 . . 150 ALA CA . 19066 1 1840 . 1 1 150 150 ALA CB C 13 21.150 0.05 . 1 . 394 . . 150 ALA CB . 19066 1 1841 . 1 1 150 150 ALA N N 15 122.292 0.01 . 1 . 159 . . 150 ALA N . 19066 1 1842 . 1 1 151 151 ASN H H 1 9.137 0.002 . 1 . 276 . . 151 ASN H . 19066 1 1843 . 1 1 151 151 ASN HA H 1 5.157 0.002 . 1 . 1080 . . 151 ASN HA . 19066 1 1844 . 1 1 151 151 ASN HB2 H 1 2.897 0.002 . 2 . 1079 . . 151 ASN HB2 . 19066 1 1845 . 1 1 151 151 ASN HB3 H 1 2.490 0.002 . 2 . 1078 . . 151 ASN HB3 . 19066 1 1846 . 1 1 151 151 ASN HD21 H 1 6.569 0.002 . 1 . 295 . . 151 ASN HD21 . 19066 1 1847 . 1 1 151 151 ASN HD22 H 1 7.401 0.002 . 1 . 1434 . . 151 ASN HD22 . 19066 1 1848 . 1 1 151 151 ASN C C 13 174.788 0.05 . 1 . 766 . . 151 ASN C . 19066 1 1849 . 1 1 151 151 ASN CA C 13 53.183 0.05 . 1 . 393 . . 151 ASN CA . 19066 1 1850 . 1 1 151 151 ASN CB C 13 39.616 0.05 . 1 . 392 . . 151 ASN CB . 19066 1 1851 . 1 1 151 151 ASN CG C 13 175.480 0.05 . 1 . 1585 . . 151 ASN CG . 19066 1 1852 . 1 1 151 151 ASN N N 15 120.099 0.01 . 1 . 277 . . 151 ASN N . 19066 1 1853 . 1 1 151 151 ASN ND2 N 15 109.484 0.01 . 1 . 296 . . 151 ASN ND2 . 19066 1 1854 . 1 1 152 152 ASN H H 1 7.390 0.002 . 1 . 32 . . 152 ASN H . 19066 1 1855 . 1 1 152 152 ASN HA H 1 4.899 0.002 . 1 . 1081 . . 152 ASN HA . 19066 1 1856 . 1 1 152 152 ASN HB2 H 1 2.904 0.002 . 2 . 1083 . . 152 ASN HB2 . 19066 1 1857 . 1 1 152 152 ASN HB3 H 1 2.715 0.002 . 2 . 1082 . . 152 ASN HB3 . 19066 1 1858 . 1 1 152 152 ASN HD21 H 1 7.172 0.002 . 1 . 180 . . 152 ASN HD21 . 19066 1 1859 . 1 1 152 152 ASN HD22 H 1 7.252 0.002 . 1 . 95 . . 152 ASN HD22 . 19066 1 1860 . 1 1 152 152 ASN C C 13 171.059 0.05 . 1 . 767 . . 152 ASN C . 19066 1 1861 . 1 1 152 152 ASN CA C 13 52.237 0.05 . 1 . 411 . . 152 ASN CA . 19066 1 1862 . 1 1 152 152 ASN CB C 13 41.956 0.05 . 1 . 410 . . 152 ASN CB . 19066 1 1863 . 1 1 152 152 ASN CG C 13 176.395 0.05 . 1 . 1586 . . 152 ASN CG . 19066 1 1864 . 1 1 152 152 ASN N N 15 110.832 0.01 . 1 . 33 . . 152 ASN N . 19066 1 1865 . 1 1 152 152 ASN ND2 N 15 115.002 0.01 . 1 . 181 . . 152 ASN ND2 . 19066 1 1866 . 1 1 153 153 ASP H H 1 8.483 0.002 . 1 . 140 . . 153 ASP H . 19066 1 1867 . 1 1 153 153 ASP HA H 1 5.161 0.002 . 1 . 1133 . . 153 ASP HA . 19066 1 1868 . 1 1 153 153 ASP HB2 H 1 2.555 0.002 . 2 . 1719 . . 153 ASP HB2 . 19066 1 1869 . 1 1 153 153 ASP HB3 H 1 2.651 0.002 . 2 . 1718 . . 153 ASP HB3 . 19066 1 1870 . 1 1 153 153 ASP C C 13 177.820 0.05 . 1 . 768 . . 153 ASP C . 19066 1 1871 . 1 1 153 153 ASP CA C 13 53.880 0.05 . 1 . 408 . . 153 ASP CA . 19066 1 1872 . 1 1 153 153 ASP CB C 13 42.187 0.05 . 1 . 409 . . 153 ASP CB . 19066 1 1873 . 1 1 153 153 ASP N N 15 117.141 0.01 . 1 . 141 . . 153 ASP N . 19066 1 1874 . 1 1 154 154 VAL H H 1 8.841 0.002 . 1 . 126 . . 154 VAL H . 19066 1 1875 . 1 1 154 154 VAL HA H 1 4.497 0.002 . 1 . 1084 . . 154 VAL HA . 19066 1 1876 . 1 1 154 154 VAL HB H 1 1.806 0.002 . 1 . 1085 . . 154 VAL HB . 19066 1 1877 . 1 1 154 154 VAL HG11 H 1 0.946 0.002 . 2 . 1425 . . 154 VAL HG11 . 19066 1 1878 . 1 1 154 154 VAL HG12 H 1 0.946 0.002 . 2 . 1425 . . 154 VAL HG12 . 19066 1 1879 . 1 1 154 154 VAL HG13 H 1 0.946 0.002 . 2 . 1425 . . 154 VAL HG13 . 19066 1 1880 . 1 1 154 154 VAL HG21 H 1 0.872 0.002 . 2 . 1426 . . 154 VAL HG21 . 19066 1 1881 . 1 1 154 154 VAL HG22 H 1 0.872 0.002 . 2 . 1426 . . 154 VAL HG22 . 19066 1 1882 . 1 1 154 154 VAL HG23 H 1 0.872 0.002 . 2 . 1426 . . 154 VAL HG23 . 19066 1 1883 . 1 1 154 154 VAL C C 13 175.289 0.05 . 1 . 769 . . 154 VAL C . 19066 1 1884 . 1 1 154 154 VAL CA C 13 61.802 0.05 . 1 . 406 . . 154 VAL CA . 19066 1 1885 . 1 1 154 154 VAL CB C 13 35.274 0.05 . 1 . 407 . . 154 VAL CB . 19066 1 1886 . 1 1 154 154 VAL CG1 C 13 20.779 0.05 . 2 . 1424 . . 154 VAL CG1 . 19066 1 1887 . 1 1 154 154 VAL CG2 C 13 21.804 0.05 . 2 . 1423 . . 154 VAL CG2 . 19066 1 1888 . 1 1 154 154 VAL N N 15 121.142 0.01 . 1 . 127 . . 154 VAL N . 19066 1 1889 . 1 1 155 155 VAL H H 1 8.710 0.002 . 1 . 49 . . 155 VAL H . 19066 1 1890 . 1 1 155 155 VAL HA H 1 4.679 0.002 . 1 . 1086 . . 155 VAL HA . 19066 1 1891 . 1 1 155 155 VAL HB H 1 2.053 0.002 . 1 . 1087 . . 155 VAL HB . 19066 1 1892 . 1 1 155 155 VAL HG11 H 1 0.797 0.002 . 2 . 1429 . . 155 VAL HG11 . 19066 1 1893 . 1 1 155 155 VAL HG12 H 1 0.797 0.002 . 2 . 1429 . . 155 VAL HG12 . 19066 1 1894 . 1 1 155 155 VAL HG13 H 1 0.797 0.002 . 2 . 1429 . . 155 VAL HG13 . 19066 1 1895 . 1 1 155 155 VAL HG21 H 1 0.977 0.002 . 2 . 1430 . . 155 VAL HG21 . 19066 1 1896 . 1 1 155 155 VAL HG22 H 1 0.977 0.002 . 2 . 1430 . . 155 VAL HG22 . 19066 1 1897 . 1 1 155 155 VAL HG23 H 1 0.977 0.002 . 2 . 1430 . . 155 VAL HG23 . 19066 1 1898 . 1 1 155 155 VAL C C 13 174.427 0.05 . 1 . 770 . . 155 VAL C . 19066 1 1899 . 1 1 155 155 VAL CA C 13 60.737 0.05 . 1 . 470 . . 155 VAL CA . 19066 1 1900 . 1 1 155 155 VAL CB C 13 34.772 0.05 . 1 . 469 . . 155 VAL CB . 19066 1 1901 . 1 1 155 155 VAL CG1 C 13 20.810 0.05 . 2 . 1428 . . 155 VAL CG1 . 19066 1 1902 . 1 1 155 155 VAL CG2 C 13 22.291 0.05 . 2 . 1427 . . 155 VAL CG2 . 19066 1 1903 . 1 1 155 155 VAL N N 15 128.342 0.01 . 1 . 50 . . 155 VAL N . 19066 1 1904 . 1 1 156 156 VAL H H 1 8.513 0.002 . 1 . 132 . . 156 VAL H . 19066 1 1905 . 1 1 156 156 VAL HA H 1 5.372 0.002 . 1 . 1550 . . 156 VAL HA . 19066 1 1906 . 1 1 156 156 VAL HB H 1 1.786 0.002 . 1 . 1551 . . 156 VAL HB . 19066 1 1907 . 1 1 156 156 VAL HG11 H 1 0.935 0.002 . 2 . 1552 . . 156 VAL HG11 . 19066 1 1908 . 1 1 156 156 VAL HG12 H 1 0.935 0.002 . 2 . 1552 . . 156 VAL HG12 . 19066 1 1909 . 1 1 156 156 VAL HG13 H 1 0.935 0.002 . 2 . 1552 . . 156 VAL HG13 . 19066 1 1910 . 1 1 156 156 VAL HG21 H 1 0.846 0.002 . 2 . 1553 . . 156 VAL HG21 . 19066 1 1911 . 1 1 156 156 VAL HG22 H 1 0.846 0.002 . 2 . 1553 . . 156 VAL HG22 . 19066 1 1912 . 1 1 156 156 VAL HG23 H 1 0.846 0.002 . 2 . 1553 . . 156 VAL HG23 . 19066 1 1913 . 1 1 156 156 VAL CA C 13 57.735 0.05 . 1 . 553 . . 156 VAL CA . 19066 1 1914 . 1 1 156 156 VAL CB C 13 33.620 0.05 . 1 . 552 . . 156 VAL CB . 19066 1 1915 . 1 1 156 156 VAL CG1 C 13 19.870 0.05 . 1 . 1648 . . 156 VAL CG1 . 19066 1 1916 . 1 1 156 156 VAL CG2 C 13 19.870 0.05 . 1 . 1649 . . 156 VAL CG2 . 19066 1 1917 . 1 1 156 156 VAL N N 15 126.974 0.01 . 1 . 133 . . 156 VAL N . 19066 1 1918 . 1 1 157 157 PRO HA H 1 4.426 0.002 . 1 . 1463 . . 157 PRO HA . 19066 1 1919 . 1 1 157 157 PRO HB2 H 1 2.314 0.002 . 2 . 1462 . . 157 PRO HB2 . 19066 1 1920 . 1 1 157 157 PRO HB3 H 1 1.939 0.002 . 2 . 1461 . . 157 PRO HB3 . 19066 1 1921 . 1 1 157 157 PRO HG2 H 1 1.764 0.002 . 2 . 1556 . . 157 PRO HG2 . 19066 1 1922 . 1 1 157 157 PRO HG3 H 1 1.997 0.002 . 2 . 1557 . . 157 PRO HG3 . 19066 1 1923 . 1 1 157 157 PRO HD2 H 1 3.934 0.002 . 2 . 1554 . . 157 PRO HD2 . 19066 1 1924 . 1 1 157 157 PRO HD3 H 1 3.678 0.002 . 2 . 1555 . . 157 PRO HD3 . 19066 1 1925 . 1 1 157 157 PRO C C 13 176.017 0.05 . 1 . 771 . . 157 PRO C . 19066 1 1926 . 1 1 157 157 PRO CA C 13 63.407 0.05 . 1 . 611 . . 157 PRO CA . 19066 1 1927 . 1 1 157 157 PRO CB C 13 32.539 0.05 . 1 . 610 . . 157 PRO CB . 19066 1 1928 . 1 1 157 157 PRO CG C 13 27.698 0.05 . 1 . 1465 . . 157 PRO CG . 19066 1 1929 . 1 1 157 157 PRO CD C 13 52.059 0.05 . 1 . 1466 . . 157 PRO CD . 19066 1 1930 . 1 1 158 158 THR H H 1 7.728 0.002 . 1 . 11 . . 158 THR H . 19066 1 1931 . 1 1 158 158 THR HA H 1 4.197 0.002 . 1 . 1559 . . 158 THR HA . 19066 1 1932 . 1 1 158 158 THR HB H 1 4.261 0.002 . 1 . 1558 . . 158 THR HB . 19066 1 1933 . 1 1 158 158 THR HG21 H 1 1.196 0.002 . 1 . 1560 . . 158 THR HG21 . 19066 1 1934 . 1 1 158 158 THR HG22 H 1 1.196 0.002 . 1 . 1560 . . 158 THR HG22 . 19066 1 1935 . 1 1 158 158 THR HG23 H 1 1.196 0.002 . 1 . 1560 . . 158 THR HG23 . 19066 1 1936 . 1 1 158 158 THR CA C 13 62.908 0.05 . 1 . 527 . . 158 THR CA . 19066 1 1937 . 1 1 158 158 THR CB C 13 70.747 0.05 . 1 . 609 . . 158 THR CB . 19066 1 1938 . 1 1 158 158 THR CG2 C 13 22.000 0.05 . 1 . 1561 . . 158 THR CG2 . 19066 1 1939 . 1 1 158 158 THR N N 15 118.853 0.01 . 1 . 12 . . 158 THR N . 19066 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 19066 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 14 '2D 1H-15N HSQC' . . . 19066 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ALA N N 15 735.07333 7.54598 . . 2 ALA N 19066 1 2 . 1 1 3 3 CYS N N 15 783.16871 5.40045 . . 3 CYS N 19066 1 3 . 1 1 4 4 LYS N N 15 765.66304 5.61766 . . 4 LYS N 19066 1 4 . 1 1 5 5 THR N N 15 801.69615 9.94156 . . 5 THR N 19066 1 5 . 1 1 6 6 ALA N N 15 828.37027 9.86659 . . 6 ALA N 19066 1 6 . 1 1 7 7 ASN N N 15 810.76020 8.70658 . . 7 ASN N 19066 1 7 . 1 1 8 8 GLY N N 15 769.35864 6.43467 . . 8 GLY N 19066 1 8 . 1 1 10 10 ALA N N 15 823.34288 5.73782 . . 10 ALA N 19066 1 9 . 1 1 11 11 ILE N N 15 822.50657 6.75463 . . 11 ILE N 19066 1 10 . 1 1 13 13 ILE N N 15 881.41760 13.36688 . . 13 ILE N 19066 1 11 . 1 1 14 14 GLY N N 15 730.86488 8.89476 . . 14 GLY N 19066 1 12 . 1 1 15 15 GLY N N 15 744.34904 5.87995 . . 15 GLY N 19066 1 13 . 1 1 16 16 GLY N N 15 799.76212 11.30110 . . 16 GLY N 19066 1 14 . 1 1 17 17 SER N N 15 898.60354 14.85248 . . 17 SER N 19066 1 15 . 1 1 18 18 ALA N N 15 777.76761 12.36767 . . 18 ALA N 19066 1 16 . 1 1 19 19 ASN N N 15 865.66296 7.64659 . . 19 ASN N 19066 1 17 . 1 1 20 20 VAL N N 15 841.13441 6.74706 . . 20 VAL N 19066 1 18 . 1 1 21 21 TYR N N 15 960.50221 9.42871 . . 21 TYR N 19066 1 19 . 1 1 22 22 VAL N N 15 815.99664 7.31000 . . 22 VAL N 19066 1 20 . 1 1 23 23 ASN N N 15 994.32865 13.12149 . . 23 ASN N 19066 1 21 . 1 1 24 24 LEU N N 15 898.00842 9.14585 . . 24 LEU N 19066 1 22 . 1 1 25 25 ALA N N 15 868.06930 6.12539 . . 25 ALA N 19066 1 23 . 1 1 27 27 VAL N N 15 837.39903 10.28009 . . 27 VAL N 19066 1 24 . 1 1 28 28 VAL N N 15 766.36732 21.40055 . . 28 VAL N 19066 1 25 . 1 1 29 29 ASN N N 15 871.12156 19.90742 . . 29 ASN N 19066 1 26 . 1 1 30 30 VAL N N 15 1066.45653 24.88187 . . 30 VAL N 19066 1 27 . 1 1 31 31 GLY N N 15 798.64608 5.68405 . . 31 GLY N 19066 1 28 . 1 1 32 32 GLN N N 15 847.27213 7.37458 . . 32 GLN N 19066 1 29 . 1 1 33 33 ASN N N 15 860.29991 7.99196 . . 33 ASN N 19066 1 30 . 1 1 34 34 LEU N N 15 796.84571 6.43937 . . 34 LEU N 19066 1 31 . 1 1 35 35 VAL N N 15 816.18892 29.86620 . . 35 VAL N 19066 1 32 . 1 1 36 36 VAL N N 15 824.69181 7.60658 . . 36 VAL N 19066 1 33 . 1 1 37 37 ASP N N 15 879.84923 21.36323 . . 37 ASP N 19066 1 34 . 1 1 39 39 SER N N 15 857.71024 13.46025 . . 39 SER N 19066 1 35 . 1 1 40 40 THR N N 15 880.26534 7.49042 . . 40 THR N 19066 1 36 . 1 1 42 42 ILE N N 15 846.43607 5.69983 . . 42 ILE N 19066 1 37 . 1 1 43 43 PHE N N 15 694.80449 14.49964 . . 43 PHE N 19066 1 38 . 1 1 44 44 CYS N N 15 820.72941 14.33477 . . 44 CYS N 19066 1 39 . 1 1 45 45 HIS N N 15 769.22319 6.04776 . . 45 HIS N 19066 1 40 . 1 1 48 48 TYR N N 15 896.76006 14.83406 . . 48 TYR N 19066 1 41 . 1 1 50 50 GLU N N 15 779.30140 6.14786 . . 50 GLU N 19066 1 42 . 1 1 51 51 THR N N 15 855.05788 9.96802 . . 51 THR N 19066 1 43 . 1 1 52 52 ILE N N 15 807.83808 4.79793 . . 52 ILE N 19066 1 44 . 1 1 53 53 THR N N 15 837.85823 24.04655 . . 53 THR N 19066 1 45 . 1 1 54 54 ASP N N 15 795.87699 10.21127 . . 54 ASP N 19066 1 46 . 1 1 55 55 TYR N N 15 803.84533 13.89517 . . 55 TYR N 19066 1 47 . 1 1 56 56 VAL N N 15 813.73668 6.90128 . . 56 VAL N 19066 1 48 . 1 1 57 57 THR N N 15 752.15476 11.04304 . . 57 THR N 19066 1 49 . 1 1 58 58 LEU N N 15 783.85972 8.25073 . . 58 LEU N 19066 1 50 . 1 1 59 59 GLN N N 15 769.42128 9.51809 . . 59 GLN N 19066 1 51 . 1 1 60 60 ARG N N 15 806.64979 6.61470 . . 60 ARG N 19066 1 52 . 1 1 61 61 GLY N N 15 810.93846 11.81612 . . 61 GLY N 19066 1 53 . 1 1 62 62 SER N N 15 820.77254 13.83487 . . 62 SER N 19066 1 54 . 1 1 64 64 TYR N N 15 772.88169 7.11867 . . 64 TYR N 19066 1 55 . 1 1 65 65 GLY N N 15 809.22285 15.12403 . . 65 GLY N 19066 1 56 . 1 1 66 66 GLY N N 15 771.16294 11.56883 . . 66 GLY N 19066 1 57 . 1 1 67 67 VAL N N 15 817.35992 8.79335 . . 67 VAL N 19066 1 58 . 1 1 68 68 LEU N N 15 798.13050 7.55006 . . 68 LEU N 19066 1 59 . 1 1 69 69 SER N N 15 799.00311 8.37536 . . 69 SER N 19066 1 60 . 1 1 70 70 ASN N N 15 899.43851 8.50090 . . 70 ASN N 19066 1 61 . 1 1 71 71 PHE N N 15 807.58107 3.43287 . . 71 PHE N 19066 1 62 . 1 1 72 72 SER N N 15 835.53636 9.65365 . . 72 SER N 19066 1 63 . 1 1 73 73 GLY N N 15 848.42614 7.15805 . . 73 GLY N 19066 1 64 . 1 1 74 74 THR N N 15 813.37199 7.79653 . . 74 THR N 19066 1 65 . 1 1 75 75 VAL N N 15 760.56683 6.54988 . . 75 VAL N 19066 1 66 . 1 1 76 76 LYS N N 15 764.45186 5.67668 . . 76 LYS N 19066 1 67 . 1 1 77 77 TYR N N 15 801.24703 12.13345 . . 77 TYR N 19066 1 68 . 1 1 78 78 SER N N 15 748.58196 9.07968 . . 78 SER N 19066 1 69 . 1 1 79 79 GLY N N 15 783.73270 10.94329 . . 79 GLY N 19066 1 70 . 1 1 80 80 SER N N 15 884.35900 4.99761 . . 80 SER N 19066 1 71 . 1 1 81 81 SER N N 15 804.80746 12.46204 . . 81 SER N 19066 1 72 . 1 1 82 82 TYR N N 15 807.46212 28.39557 . . 82 TYR N 19066 1 73 . 1 1 84 84 PHE N N 15 1007.63670 13.02588 . . 84 PHE N 19066 1 74 . 1 1 86 86 THR N N 15 785.12232 8.36281 . . 86 THR N 19066 1 75 . 1 1 87 87 THR N N 15 736.68522 22.73019 . . 87 THR N 19066 1 76 . 1 1 88 88 SER N N 15 873.22200 6.16429 . . 88 SER N 19066 1 77 . 1 1 89 89 GLU N N 15 894.98884 13.29539 . . 89 GLU N 19066 1 78 . 1 1 92 92 ARG N N 15 871.23792 13.56174 . . 92 ARG N 19066 1 79 . 1 1 93 93 VAL N N 15 783.03635 33.79363 . . 93 VAL N 19066 1 80 . 1 1 95 95 TYR N N 15 815.03055 23.11342 . . 95 TYR N 19066 1 81 . 1 1 97 97 SER N N 15 893.56997 13.59624 . . 97 SER N 19066 1 82 . 1 1 99 99 THR N N 15 848.31563 17.02299 . . 99 THR N 19066 1 83 . 1 1 100 100 ASP N N 15 859.47777 15.08806 . . 100 ASP N 19066 1 84 . 1 1 101 101 LYS N N 15 833.34574 16.30878 . . 101 LYS N 19066 1 85 . 1 1 103 103 TRP N N 15 796.87129 13.23081 . . 103 TRP N 19066 1 86 . 1 1 105 105 VAL N N 15 812.94631 6.56752 . . 105 VAL N 19066 1 87 . 1 1 106 106 ALA N N 15 775.41322 11.17015 . . 106 ALA N 19066 1 88 . 1 1 107 107 LEU N N 15 794.57570 8.71244 . . 107 LEU N 19066 1 89 . 1 1 108 108 TYR N N 15 825.44371 7.59706 . . 108 TYR N 19066 1 90 . 1 1 110 110 THR N N 15 827.40448 5.09876 . . 110 THR N 19066 1 91 . 1 1 112 112 VAL N N 15 787.31129 29.02103 . . 112 VAL N 19066 1 92 . 1 1 113 113 SER N N 15 789.63870 16.65894 . . 113 SER N 19066 1 93 . 1 1 114 114 SER N N 15 855.97341 9.79552 . . 114 SER N 19066 1 94 . 1 1 115 115 ALA N N 15 740.92754 9.62867 . . 115 ALA N 19066 1 95 . 1 1 116 116 GLY N N 15 786.55972 3.60403 . . 116 GLY N 19066 1 96 . 1 1 117 117 GLY N N 15 804.60558 3.98625 . . 117 GLY N 19066 1 97 . 1 1 118 118 VAL N N 15 908.14653 24.26314 . . 118 VAL N 19066 1 98 . 1 1 119 119 ALA N N 15 796.18328 15.22804 . . 119 ALA N 19066 1 99 . 1 1 120 120 ILE N N 15 896.81080 9.23015 . . 120 ILE N 19066 1 100 . 1 1 121 121 LYS N N 15 769.92631 11.97918 . . 121 LYS N 19066 1 101 . 1 1 122 122 ALA N N 15 982.58271 8.24525 . . 122 ALA N 19066 1 102 . 1 1 123 123 GLY N N 15 788.65722 6.78330 . . 123 GLY N 19066 1 103 . 1 1 124 124 SER N N 15 799.48395 5.38183 . . 124 SER N 19066 1 104 . 1 1 125 125 LEU N N 15 804.30860 6.33469 . . 125 LEU N 19066 1 105 . 1 1 126 126 ILE N N 15 842.81305 28.45149 . . 126 ILE N 19066 1 106 . 1 1 127 127 ALA N N 15 766.04992 7.49460 . . 127 ALA N 19066 1 107 . 1 1 128 128 VAL N N 15 901.02965 10.22548 . . 128 VAL N 19066 1 108 . 1 1 130 130 ILE N N 15 892.36376 16.35425 . . 130 ILE N 19066 1 109 . 1 1 131 131 LEU N N 15 736.88543 12.82759 . . 131 LEU N 19066 1 110 . 1 1 132 132 ARG N N 15 738.11420 13.05017 . . 132 ARG N 19066 1 111 . 1 1 133 133 GLN N N 15 747.43433 9.62807 . . 133 GLN N 19066 1 112 . 1 1 134 134 THR N N 15 801.48663 13.32159 . . 134 THR N 19066 1 113 . 1 1 135 135 ASN N N 15 769.38407 14.84701 . . 135 ASN N 19066 1 114 . 1 1 137 137 TYR N N 15 868.18564 42.70308 . . 137 TYR N 19066 1 115 . 1 1 138 138 ASN N N 15 923.48692 14.73318 . . 138 ASN N 19066 1 116 . 1 1 139 139 SER N N 15 929.90242 14.55789 . . 139 SER N 19066 1 117 . 1 1 140 140 ASP N N 15 881.25927 6.36725 . . 140 ASP N 19066 1 118 . 1 1 141 141 ASP N N 15 853.99172 10.63725 . . 141 ASP N 19066 1 119 . 1 1 143 143 GLN N N 15 884.25822 8.27425 . . 143 GLN N 19066 1 120 . 1 1 144 144 PHE N N 15 779.05530 13.60646 . . 144 PHE N 19066 1 121 . 1 1 145 145 VAL N N 15 834.25140 18.56280 . . 145 VAL N 19066 1 122 . 1 1 146 146 TRP N N 15 785.21655 15.34468 . . 146 TRP N 19066 1 123 . 1 1 148 148 ILE N N 15 799.98854 35.15693 . . 148 ILE N 19066 1 124 . 1 1 149 149 TYR N N 15 867.20651 9.90774 . . 149 TYR N 19066 1 125 . 1 1 150 150 ALA N N 15 784.34313 14.77886 . . 150 ALA N 19066 1 126 . 1 1 151 151 ASN N N 15 806.92903 5.18368 . . 151 ASN N 19066 1 127 . 1 1 152 152 ASN N N 15 874.31184 14.08448 . . 152 ASN N 19066 1 128 . 1 1 153 153 ASP N N 15 848.09058 4.83661 . . 153 ASP N 19066 1 129 . 1 1 154 154 VAL N N 15 814.78749 5.48989 . . 154 VAL N 19066 1 130 . 1 1 155 155 VAL N N 15 809.99225 8.93866 . . 155 VAL N 19066 1 131 . 1 1 156 156 VAL N N 15 700.92756 10.20741 . . 156 VAL N 19066 1 132 . 1 1 158 158 THR N N 15 958.39792 7.44332 . . 158 THR N 19066 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 19066 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 13 '2D 1H-15N HSQC CPMG' . . . 19066 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N N 15 61.79248 0.42571 . . . . 2 ALA N 19066 1 2 . 1 1 3 3 CYS N N 15 73.17398 4.48807 . . . . 3 CYS N 19066 1 3 . 1 1 4 4 LYS N N 15 63.82236 0.55342 . . . . 4 LYS N 19066 1 4 . 1 1 5 5 THR N N 15 66.36943 0.63333 . . . . 5 THR N 19066 1 5 . 1 1 6 6 ALA N N 15 68.12051 0.76599 . . . . 6 ALA N 19066 1 6 . 1 1 7 7 ASN N N 15 77.59224 0.92263 . . . . 7 ASN N 19066 1 7 . 1 1 8 8 GLY N N 15 72.37513 0.60703 . . . . 8 GLY N 19066 1 8 . 1 1 10 10 ALA N N 15 78.49412 0.96940 . . . . 10 ALA N 19066 1 9 . 1 1 11 11 ILE N N 15 69.43319 0.51649 . . . . 11 ILE N 19066 1 10 . 1 1 13 13 ILE N N 15 70.03156 1.20591 . . . . 13 ILE N 19066 1 11 . 1 1 14 14 GLY N N 15 60.64597 0.73361 . . . . 14 GLY N 19066 1 12 . 1 1 15 15 GLY N N 15 58.19070 0.82490 . . . . 15 GLY N 19066 1 13 . 1 1 16 16 GLY N N 15 65.62188 1.79793 . . . . 16 GLY N 19066 1 14 . 1 1 17 17 SER N N 15 68.82759 0.85653 . . . . 17 SER N 19066 1 15 . 1 1 18 18 ALA N N 15 62.81020 0.71954 . . . . 18 ALA N 19066 1 16 . 1 1 19 19 ASN N N 15 67.19622 0.86132 . . . . 19 ASN N 19066 1 17 . 1 1 20 20 VAL N N 15 68.29737 0.78909 . . . . 20 VAL N 19066 1 18 . 1 1 21 21 TYR N N 15 68.31488 1.03735 . . . . 21 TYR N 19066 1 19 . 1 1 22 22 VAL N N 15 66.23995 0.56011 . . . . 22 VAL N 19066 1 20 . 1 1 23 23 ASN N N 15 59.94765 0.48720 . . . . 23 ASN N 19066 1 21 . 1 1 24 24 LEU N N 15 67.57712 0.87812 . . . . 24 LEU N 19066 1 22 . 1 1 25 25 ALA N N 15 62.69459 0.59004 . . . . 25 ALA N 19066 1 23 . 1 1 27 27 VAL N N 15 60.01293 0.19451 . . . . 27 VAL N 19066 1 24 . 1 1 28 28 VAL N N 15 62.71895 1.15275 . . . . 28 VAL N 19066 1 25 . 1 1 29 29 ASN N N 15 67.15842 0.82147 . . . . 29 ASN N 19066 1 26 . 1 1 30 30 VAL N N 15 60.72239 0.70598 . . . . 30 VAL N 19066 1 27 . 1 1 31 31 GLY N N 15 72.23221 0.42377 . . . . 31 GLY N 19066 1 28 . 1 1 32 32 GLN N N 15 62.76103 0.70865 . . . . 32 GLN N 19066 1 29 . 1 1 33 33 ASN N N 15 75.88682 0.71243 . . . . 33 ASN N 19066 1 30 . 1 1 34 34 LEU N N 15 70.80340 1.30949 . . . . 34 LEU N 19066 1 31 . 1 1 35 35 VAL N N 15 61.50361 1.48963 . . . . 35 VAL N 19066 1 32 . 1 1 36 36 VAL N N 15 63.85886 1.21407 . . . . 36 VAL N 19066 1 33 . 1 1 37 37 ASP N N 15 66.99715 1.14102 . . . . 37 ASP N 19066 1 34 . 1 1 39 39 SER N N 15 56.71179 0.66880 . . . . 39 SER N 19066 1 35 . 1 1 40 40 THR N N 15 57.01341 0.48753 . . . . 40 THR N 19066 1 36 . 1 1 42 42 ILE N N 15 65.69618 0.84814 . . . . 42 ILE N 19066 1 37 . 1 1 43 43 PHE N N 15 63.93621 0.83960 . . . . 43 PHE N 19066 1 38 . 1 1 44 44 CYS N N 15 62.24273 1.12790 . . . . 44 CYS N 19066 1 39 . 1 1 45 45 HIS N N 15 60.76321 3.18370 . . . . 45 HIS N 19066 1 40 . 1 1 48 48 TYR N N 15 52.88278 0.67174 . . . . 48 TYR N 19066 1 41 . 1 1 50 50 GLU N N 15 64.74522 0.59052 . . . . 50 GLU N 19066 1 42 . 1 1 51 51 THR N N 15 62.28939 1.74497 . . . . 51 THR N 19066 1 43 . 1 1 52 52 ILE N N 15 67.53926 0.64347 . . . . 52 ILE N 19066 1 44 . 1 1 53 53 THR N N 15 63.80890 1.22592 . . . . 53 THR N 19066 1 45 . 1 1 54 54 ASP N N 15 54.92171 0.81553 . . . . 54 ASP N 19066 1 46 . 1 1 55 55 TYR N N 15 63.50127 0.76096 . . . . 55 TYR N 19066 1 47 . 1 1 56 56 VAL N N 15 64.45604 0.85961 . . . . 56 VAL N 19066 1 48 . 1 1 57 57 THR N N 15 61.57868 0.98235 . . . . 57 THR N 19066 1 49 . 1 1 58 58 LEU N N 15 60.76115 0.77798 . . . . 58 LEU N 19066 1 50 . 1 1 59 59 GLN N N 15 63.83530 1.70722 . . . . 59 GLN N 19066 1 51 . 1 1 60 60 ARG N N 15 43.65081 2.79516 . . . . 60 ARG N 19066 1 52 . 1 1 61 61 GLY N N 15 62.78002 1.39506 . . . . 61 GLY N 19066 1 53 . 1 1 62 62 SER N N 15 60.13761 0.85361 . . . . 62 SER N 19066 1 54 . 1 1 63 63 ALA N N 15 65.54676 1.22783 . . . . 63 ALA N 19066 1 55 . 1 1 64 64 TYR N N 15 68.20503 0.43969 . . . . 64 TYR N 19066 1 56 . 1 1 65 65 GLY N N 15 64.61551 1.43452 . . . . 65 GLY N 19066 1 57 . 1 1 66 66 GLY N N 15 59.32069 0.60865 . . . . 66 GLY N 19066 1 58 . 1 1 67 67 VAL N N 15 58.87741 0.54280 . . . . 67 VAL N 19066 1 59 . 1 1 68 68 LEU N N 15 61.82983 0.65054 . . . . 68 LEU N 19066 1 60 . 1 1 69 69 SER N N 15 55.77652 0.65107 . . . . 69 SER N 19066 1 61 . 1 1 70 70 ASN N N 15 64.23943 0.57852 . . . . 70 ASN N 19066 1 62 . 1 1 71 71 PHE N N 15 62.31154 0.94315 . . . . 71 PHE N 19066 1 63 . 1 1 72 72 SER N N 15 68.84300 1.09087 . . . . 72 SER N 19066 1 64 . 1 1 73 73 GLY N N 15 72.30508 0.58223 . . . . 73 GLY N 19066 1 65 . 1 1 74 74 THR N N 15 68.01893 0.69141 . . . . 74 THR N 19066 1 66 . 1 1 75 75 VAL N N 15 61.82157 0.28567 . . . . 75 VAL N 19066 1 67 . 1 1 76 76 LYS N N 15 66.29612 0.78578 . . . . 76 LYS N 19066 1 68 . 1 1 77 77 TYR N N 15 65.56563 0.79179 . . . . 77 TYR N 19066 1 69 . 1 1 78 78 SER N N 15 63.86718 0.92778 . . . . 78 SER N 19066 1 70 . 1 1 79 79 GLY N N 15 64.12678 0.95739 . . . . 79 GLY N 19066 1 71 . 1 1 80 80 SER N N 15 67.13910 0.38478 . . . . 80 SER N 19066 1 72 . 1 1 81 81 SER N N 15 68.46312 0.37580 . . . . 81 SER N 19066 1 73 . 1 1 82 82 TYR N N 15 70.29738 1.26568 . . . . 82 TYR N 19066 1 74 . 1 1 84 84 PHE N N 15 61.25198 0.62802 . . . . 84 PHE N 19066 1 75 . 1 1 86 86 THR N N 15 62.64877 1.13895 . . . . 86 THR N 19066 1 76 . 1 1 87 87 THR N N 15 68.67090 0.85182 . . . . 87 THR N 19066 1 77 . 1 1 88 88 SER N N 15 72.30559 1.81898 . . . . 88 SER N 19066 1 78 . 1 1 89 89 GLU N N 15 69.91436 0.48392 . . . . 89 GLU N 19066 1 79 . 1 1 92 92 ARG N N 15 66.57908 0.58579 . . . . 92 ARG N 19066 1 80 . 1 1 93 93 VAL N N 15 65.66549 0.62042 . . . . 93 VAL N 19066 1 81 . 1 1 95 95 TYR N N 15 61.86184 1.22397 . . . . 95 TYR N 19066 1 82 . 1 1 97 97 SER N N 15 50.14029 2.99462 . . . . 97 SER N 19066 1 83 . 1 1 99 99 THR N N 15 61.29598 0.40411 . . . . 99 THR N 19066 1 84 . 1 1 100 100 ASP N N 15 69.02057 1.77451 . . . . 100 ASP N 19066 1 85 . 1 1 101 101 LYS N N 15 69.23604 1.38328 . . . . 101 LYS N 19066 1 86 . 1 1 103 103 TRP N N 15 63.95266 0.86176 . . . . 103 TRP N 19066 1 87 . 1 1 105 105 VAL N N 15 67.76111 0.99186 . . . . 105 VAL N 19066 1 88 . 1 1 106 106 ALA N N 15 65.34319 0.52625 . . . . 106 ALA N 19066 1 89 . 1 1 107 107 LEU N N 15 65.52096 1.05977 . . . . 107 LEU N 19066 1 90 . 1 1 108 108 TYR N N 15 65.69263 0.44106 . . . . 108 TYR N 19066 1 91 . 1 1 110 110 THR N N 15 65.40303 0.31149 . . . . 110 THR N 19066 1 92 . 1 1 112 112 VAL N N 15 61.77738 1.30637 . . . . 112 VAL N 19066 1 93 . 1 1 113 113 SER N N 15 67.95800 1.46141 . . . . 113 SER N 19066 1 94 . 1 1 114 114 SER N N 15 65.43403 1.31207 . . . . 114 SER N 19066 1 95 . 1 1 115 115 ALA N N 15 74.34966 0.61705 . . . . 115 ALA N 19066 1 96 . 1 1 116 116 GLY N N 15 88.50290 1.27626 . . . . 116 GLY N 19066 1 97 . 1 1 117 117 GLY N N 15 80.76451 0.50889 . . . . 117 GLY N 19066 1 98 . 1 1 118 118 VAL N N 15 70.79626 0.96275 . . . . 118 VAL N 19066 1 99 . 1 1 119 119 ALA N N 15 66.35279 0.96814 . . . . 119 ALA N 19066 1 100 . 1 1 120 120 ILE N N 15 68.60128 3.49289 . . . . 120 ILE N 19066 1 101 . 1 1 121 121 LYS N N 15 65.32704 0.81031 . . . . 121 LYS N 19066 1 102 . 1 1 122 122 ALA N N 15 55.36185 0.29519 . . . . 122 ALA N 19066 1 103 . 1 1 123 123 GLY N N 15 66.02254 0.79558 . . . . 123 GLY N 19066 1 104 . 1 1 124 124 SER N N 15 59.72650 0.94027 . . . . 124 SER N 19066 1 105 . 1 1 125 125 LEU N N 15 65.73392 0.41771 . . . . 125 LEU N 19066 1 106 . 1 1 126 126 ILE N N 15 52.93666 1.27413 . . . . 126 ILE N 19066 1 107 . 1 1 127 127 ALA N N 15 60.18501 1.85966 . . . . 127 ALA N 19066 1 108 . 1 1 128 128 VAL N N 15 63.63615 1.50164 . . . . 128 VAL N 19066 1 109 . 1 1 130 130 ILE N N 15 61.25161 1.02971 . . . . 130 ILE N 19066 1 110 . 1 1 131 131 LEU N N 15 58.97467 1.05355 . . . . 131 LEU N 19066 1 111 . 1 1 132 132 ARG N N 15 59.08751 1.29672 . . . . 132 ARG N 19066 1 112 . 1 1 133 133 GLN N N 15 62.09769 0.89583 . . . . 133 GLN N 19066 1 113 . 1 1 134 134 THR N N 15 59.68132 0.67068 . . . . 134 THR N 19066 1 114 . 1 1 135 135 ASN N N 15 55.96470 0.89403 . . . . 135 ASN N 19066 1 115 . 1 1 137 137 TYR N N 15 48.17022 2.32715 . . . . 137 TYR N 19066 1 116 . 1 1 138 138 ASN N N 15 40.82280 0.32492 . . . . 138 ASN N 19066 1 117 . 1 1 139 139 SER N N 15 63.92949 1.28727 . . . . 139 SER N 19066 1 118 . 1 1 140 140 ASP N N 15 51.75595 0.67242 . . . . 140 ASP N 19066 1 119 . 1 1 141 141 ASP N N 15 65.58409 0.98805 . . . . 141 ASP N 19066 1 120 . 1 1 143 143 GLN N N 15 67.61641 0.53480 . . . . 143 GLN N 19066 1 121 . 1 1 144 144 PHE N N 15 67.57883 0.91726 . . . . 144 PHE N 19066 1 122 . 1 1 145 145 VAL N N 15 66.42795 1.04581 . . . . 145 VAL N 19066 1 123 . 1 1 146 146 TRP N N 15 70.82160 1.24680 . . . . 146 TRP N 19066 1 124 . 1 1 148 148 ILE N N 15 65.63356 0.89164 . . . . 148 ILE N 19066 1 125 . 1 1 149 149 TYR N N 15 60.66673 1.10812 . . . . 149 TYR N 19066 1 126 . 1 1 150 150 ALA N N 15 65.21819 0.83781 . . . . 150 ALA N 19066 1 127 . 1 1 151 151 ASN N N 15 65.76013 1.28642 . . . . 151 ASN N 19066 1 128 . 1 1 152 152 ASN N N 15 69.12408 1.77554 . . . . 152 ASN N 19066 1 129 . 1 1 153 153 ASP N N 15 65.83846 0.55690 . . . . 153 ASP N 19066 1 130 . 1 1 154 154 VAL N N 15 66.41061 0.44745 . . . . 154 VAL N 19066 1 131 . 1 1 155 155 VAL N N 15 68.76485 0.80628 . . . . 155 VAL N 19066 1 132 . 1 1 156 156 VAL N N 15 65.81021 1.76989 . . . . 156 VAL N 19066 1 133 . 1 1 158 158 THR N N 15 92.70914 1.37299 . . . . 158 THR N 19066 1 stop_ save_