data_4336 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4336 _Entry.Title ; Backbone and Sequence-Specific Assignment of Three Forms of the Lipoate Containing H-protein of the Glycine Decarboxylase Complex. ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-04-22 _Entry.Accession_date 1999-04-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Laure Guilhaudis . . . 4336 2 Jean-Pierre Simorre . . . 4336 3 Eftychia Bouchayer . . . 4336 4 Michel Neuburger . . . 4336 5 Jacques Bourguignon . . . 4336 6 Roland Douce . . . 4336 7 Dominique Marion . . . 4336 8 Pierre Gans . . . 4336 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4336 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 413 4336 '15N chemical shifts' 129 4336 '1H chemical shifts' 840 4336 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 . . 1999-05-11 . original author 'original release' 4336 1 . . 2007-11-05 . update BMRB 'complete the entry citation' 4336 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4337 . 4336 BMRB 4338 . 4336 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4336 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10605092 _Citation.Full_citation ; Guilhaudis, L., Simorre, J-P., Bouchayer, E.,Neuburger, M., Bourguignon, J., Douce, R., Marion, D., and Gans, P., "Backbone and Sequence-Specific Assignment of Three Forms of the Lipoate Containing H-protein of the Glycine Decarboxylase Complex," J. Biomol. NMR, in preparation (1999). ; _Citation.Title ; Backbone and Sequence-Specific Assignment of Three Forms of the Lipoate Containing H-protein of the Glycine Decarboxylase Complex. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 2 _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 185 _Citation.Page_last 186 _Citation.Year 1999 _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 Laure Guilhaudis . . . 4336 1 2 Jean-Pierre Simorre . . . 4336 1 3 Eftychia Bouchayer . . . 4336 1 4 Michel Neuburger . . . 4336 1 5 Jacques Bourguignon . . . 4336 1 6 Roland Douce . . . 4336 1 7 Dominique Marion . . . 4336 1 8 Pierre Gans . . . 4336 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Glycine decarboxylase complex' 4336 1 H-protein 4336 1 'lipoate containing protein' 4336 1 NMR 4336 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4336 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; "Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995)." ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . 4336 2 2 'C G' Bigam C. G. . 4336 2 3 J Yao J. . . 4336 2 4 F Abildgaard F. . . 4336 2 5 'H J' Dyson H. J. . 4336 2 6 E Oldfield E. . . 4336 2 7 'J L' Markley J. L. . 4336 2 8 'B D' Sykes B. D. . 4336 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4336 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 90110145 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_3 _Citation.Sf_category citations _Citation.Sf_framecode ref_3 _Citation.Entry_ID 4336 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 90303277 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_4 _Citation.Sf_category citations _Citation.Sf_framecode ref_4 _Citation.Entry_ID 4336 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 92412042 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_5 _Citation.Sf_category citations _Citation.Sf_framecode ref_5 _Citation.Entry_ID 4336 _Citation.ID 6 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96184875 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_Hmet _Assembly.Sf_category assembly _Assembly.Sf_framecode Hmet _Assembly.Entry_ID 4336 _Assembly.ID 1 _Assembly.Name 'methylamine loaded form of the Glycine Cleavage System H-protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14136 _Assembly.Enzyme_commission_number 1.4.4.2 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4336 1 stop_ 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 'Hmet subunit 1' 1 $H-protein_peptide . . . native . . . . . 4336 1 2 S-aminomethyldihydrolipoate 2 $S-AMDHP . . . native . . . . . 4336 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 amide single . 1 . 1 LYS 63 63 NZ . 2 . 2 S-AMDHP 1 1 CO . . . . . . . . . . 4336 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Hmet abbreviation 4336 1 'methylamine loaded form of the Glycine Cleavage System H-protein' system 4336 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; The Glycine Cleavage System catalyses the degradation of Glycine. The Hmet protein shuttles the methylamine group of glycine from the P-protein to the T-protein. ; 4336 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H-protein_peptide _Entity.Sf_category entity _Entity.Sf_framecode H-protein_peptide _Entity.Entry_ID 4336 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Glycine Cleavage System H-protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNVLDGLKYAPSHEWVKHEG SVATIGITDHAQDHLGEVVF VELPEPGVSVTKGKGFGAVE SVKATSDVNSPISGEVIEVN TGLTGKPGLINSSPYEDGWM IKIKPTSPDELESLLGAKEY TKFCEEEDAAH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13948 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Sequence citation label are ref_2, ref_3, and ref 4 listed below in section Cited references. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4337 . "glycine cleavage system H-protein" . . . . . 100.00 131 100.00 100.00 2.36e-87 . . . . 4336 1 2 no BMRB 4338 . "Glycine Cleavage System apoprotein H" . . . . . 100.00 131 100.00 100.00 2.36e-87 . . . . 4336 1 3 no PDB 1DXM . "Reduced Form Of The H Protein From Glycine Decarboxylase Complex" . . . . . 100.00 131 100.00 100.00 2.36e-87 . . . . 4336 1 4 no PDB 1HPC . "Refined Structures At 2 Angstroms And 2.2 Angstroms Of The Two Forms Of The H-protein, A Lipoamide-containing Protein Of The Gl" . . . . . 100.00 131 100.00 100.00 2.36e-87 . . . . 4336 1 5 no PDB 1HTP . "Refined Structures At 2 Angstroms And 2.2 Angstroms Of The Two Forms Of The H-Protein, A Lipoamide-Containing Protein Of The Gl" . . . . . 100.00 131 100.00 100.00 2.36e-87 . . . . 4336 1 6 no EMBL CAA37704 . "H-protein [Pisum sativum]" . . . . . 100.00 165 100.00 100.00 5.11e-88 . . . . 4336 1 7 no EMBL CAA45978 . "H protein [Pisum sativum]" . . . . . 100.00 165 100.00 100.00 5.11e-88 . . . . 4336 1 8 no EMBL CAI79404 . "H-protein [Pisum fulvum]" . . . . . 100.00 165 100.00 100.00 5.11e-88 . . . . 4336 1 9 no EMBL CAJ13415 . "H subunit of glycine decarboxylase multi-enzyme complex [Pisum fulvum]" . . . . . 100.00 165 100.00 100.00 5.11e-88 . . . . 4336 1 10 no EMBL CAJ13721 . "H-protein of the glycine decarboxylase multi-enzyme complex [Pisum sativum var. pumilio]" . . . . . 100.00 165 100.00 100.00 5.11e-88 . . . . 4336 1 11 no GB AAA33668 . "H-protein of glycine decarboxylase precursor (EC 2.1.2.10) [Pisum sativum]" . . . . . 100.00 165 100.00 100.00 5.11e-88 . . . . 4336 1 12 no PRF 1923203A . "H protein" . . . . . 100.00 131 99.24 99.24 1.65e-86 . . . . 4336 1 13 no SP P16048 . "RecName: Full=Glycine cleavage system H protein, mitochondrial; Flags: Precursor" . . . . . 100.00 165 100.00 100.00 5.11e-88 . . . . 4336 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Glycine Cleavage System H-protein' common 4336 1 H-protein abbreviation 4336 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 10 SER . 4336 1 2 11 ASN . 4336 1 3 12 VAL . 4336 1 4 13 LEU . 4336 1 5 14 ASP . 4336 1 6 15 GLY . 4336 1 7 16 LEU . 4336 1 8 17 LYS . 4336 1 9 18 TYR . 4336 1 10 19 ALA . 4336 1 11 20 PRO . 4336 1 12 21 SER . 4336 1 13 22 HIS . 4336 1 14 23 GLU . 4336 1 15 24 TRP . 4336 1 16 25 VAL . 4336 1 17 26 LYS . 4336 1 18 27 HIS . 4336 1 19 28 GLU . 4336 1 20 29 GLY . 4336 1 21 30 SER . 4336 1 22 31 VAL . 4336 1 23 32 ALA . 4336 1 24 33 THR . 4336 1 25 34 ILE . 4336 1 26 35 GLY . 4336 1 27 36 ILE . 4336 1 28 37 THR . 4336 1 29 38 ASP . 4336 1 30 39 HIS . 4336 1 31 40 ALA . 4336 1 32 41 GLN . 4336 1 33 42 ASP . 4336 1 34 43 HIS . 4336 1 35 44 LEU . 4336 1 36 45 GLY . 4336 1 37 46 GLU . 4336 1 38 47 VAL . 4336 1 39 48 VAL . 4336 1 40 49 PHE . 4336 1 41 50 VAL . 4336 1 42 51 GLU . 4336 1 43 52 LEU . 4336 1 44 53 PRO . 4336 1 45 54 GLU . 4336 1 46 55 PRO . 4336 1 47 56 GLY . 4336 1 48 57 VAL . 4336 1 49 58 SER . 4336 1 50 59 VAL . 4336 1 51 60 THR . 4336 1 52 61 LYS . 4336 1 53 62 GLY . 4336 1 54 63 LYS . 4336 1 55 64 GLY . 4336 1 56 65 PHE . 4336 1 57 66 GLY . 4336 1 58 67 ALA . 4336 1 59 68 VAL . 4336 1 60 69 GLU . 4336 1 61 70 SER . 4336 1 62 71 VAL . 4336 1 63 72 LYS . 4336 1 64 73 ALA . 4336 1 65 74 THR . 4336 1 66 75 SER . 4336 1 67 76 ASP . 4336 1 68 77 VAL . 4336 1 69 78 ASN . 4336 1 70 79 SER . 4336 1 71 80 PRO . 4336 1 72 81 ILE . 4336 1 73 82 SER . 4336 1 74 83 GLY . 4336 1 75 84 GLU . 4336 1 76 85 VAL . 4336 1 77 86 ILE . 4336 1 78 87 GLU . 4336 1 79 88 VAL . 4336 1 80 89 ASN . 4336 1 81 90 THR . 4336 1 82 91 GLY . 4336 1 83 92 LEU . 4336 1 84 93 THR . 4336 1 85 94 GLY . 4336 1 86 95 LYS . 4336 1 87 96 PRO . 4336 1 88 97 GLY . 4336 1 89 98 LEU . 4336 1 90 99 ILE . 4336 1 91 100 ASN . 4336 1 92 101 SER . 4336 1 93 102 SER . 4336 1 94 103 PRO . 4336 1 95 104 TYR . 4336 1 96 105 GLU . 4336 1 97 106 ASP . 4336 1 98 107 GLY . 4336 1 99 108 TRP . 4336 1 100 109 MET . 4336 1 101 110 ILE . 4336 1 102 111 LYS . 4336 1 103 112 ILE . 4336 1 104 113 LYS . 4336 1 105 114 PRO . 4336 1 106 115 THR . 4336 1 107 116 SER . 4336 1 108 117 PRO . 4336 1 109 118 ASP . 4336 1 110 119 GLU . 4336 1 111 120 LEU . 4336 1 112 121 GLU . 4336 1 113 122 SER . 4336 1 114 123 LEU . 4336 1 115 124 LEU . 4336 1 116 125 GLY . 4336 1 117 126 ALA . 4336 1 118 127 LYS . 4336 1 119 128 GLU . 4336 1 120 129 TYR . 4336 1 121 130 THR . 4336 1 122 131 LYS . 4336 1 123 132 PHE . 4336 1 124 133 CYS . 4336 1 125 134 GLU . 4336 1 126 135 GLU . 4336 1 127 136 GLU . 4336 1 128 137 ASP . 4336 1 129 138 ALA . 4336 1 130 139 ALA . 4336 1 131 140 HIS . 4336 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 4336 1 . ASN 2 2 4336 1 . VAL 3 3 4336 1 . LEU 4 4 4336 1 . ASP 5 5 4336 1 . GLY 6 6 4336 1 . LEU 7 7 4336 1 . LYS 8 8 4336 1 . TYR 9 9 4336 1 . ALA 10 10 4336 1 . PRO 11 11 4336 1 . SER 12 12 4336 1 . HIS 13 13 4336 1 . GLU 14 14 4336 1 . TRP 15 15 4336 1 . VAL 16 16 4336 1 . LYS 17 17 4336 1 . HIS 18 18 4336 1 . GLU 19 19 4336 1 . GLY 20 20 4336 1 . SER 21 21 4336 1 . VAL 22 22 4336 1 . ALA 23 23 4336 1 . THR 24 24 4336 1 . ILE 25 25 4336 1 . GLY 26 26 4336 1 . ILE 27 27 4336 1 . THR 28 28 4336 1 . ASP 29 29 4336 1 . HIS 30 30 4336 1 . ALA 31 31 4336 1 . GLN 32 32 4336 1 . ASP 33 33 4336 1 . HIS 34 34 4336 1 . LEU 35 35 4336 1 . GLY 36 36 4336 1 . GLU 37 37 4336 1 . VAL 38 38 4336 1 . VAL 39 39 4336 1 . PHE 40 40 4336 1 . VAL 41 41 4336 1 . GLU 42 42 4336 1 . LEU 43 43 4336 1 . PRO 44 44 4336 1 . GLU 45 45 4336 1 . PRO 46 46 4336 1 . GLY 47 47 4336 1 . VAL 48 48 4336 1 . SER 49 49 4336 1 . VAL 50 50 4336 1 . THR 51 51 4336 1 . LYS 52 52 4336 1 . GLY 53 53 4336 1 . LYS 54 54 4336 1 . GLY 55 55 4336 1 . PHE 56 56 4336 1 . GLY 57 57 4336 1 . ALA 58 58 4336 1 . VAL 59 59 4336 1 . GLU 60 60 4336 1 . SER 61 61 4336 1 . VAL 62 62 4336 1 . LYS 63 63 4336 1 . ALA 64 64 4336 1 . THR 65 65 4336 1 . SER 66 66 4336 1 . ASP 67 67 4336 1 . VAL 68 68 4336 1 . ASN 69 69 4336 1 . SER 70 70 4336 1 . PRO 71 71 4336 1 . ILE 72 72 4336 1 . SER 73 73 4336 1 . GLY 74 74 4336 1 . GLU 75 75 4336 1 . VAL 76 76 4336 1 . ILE 77 77 4336 1 . GLU 78 78 4336 1 . VAL 79 79 4336 1 . ASN 80 80 4336 1 . THR 81 81 4336 1 . GLY 82 82 4336 1 . LEU 83 83 4336 1 . THR 84 84 4336 1 . GLY 85 85 4336 1 . LYS 86 86 4336 1 . PRO 87 87 4336 1 . GLY 88 88 4336 1 . LEU 89 89 4336 1 . ILE 90 90 4336 1 . ASN 91 91 4336 1 . SER 92 92 4336 1 . SER 93 93 4336 1 . PRO 94 94 4336 1 . TYR 95 95 4336 1 . GLU 96 96 4336 1 . ASP 97 97 4336 1 . GLY 98 98 4336 1 . TRP 99 99 4336 1 . MET 100 100 4336 1 . ILE 101 101 4336 1 . LYS 102 102 4336 1 . ILE 103 103 4336 1 . LYS 104 104 4336 1 . PRO 105 105 4336 1 . THR 106 106 4336 1 . SER 107 107 4336 1 . PRO 108 108 4336 1 . ASP 109 109 4336 1 . GLU 110 110 4336 1 . LEU 111 111 4336 1 . GLU 112 112 4336 1 . SER 113 113 4336 1 . LEU 114 114 4336 1 . LEU 115 115 4336 1 . GLY 116 116 4336 1 . ALA 117 117 4336 1 . LYS 118 118 4336 1 . GLU 119 119 4336 1 . TYR 120 120 4336 1 . THR 121 121 4336 1 . LYS 122 122 4336 1 . PHE 123 123 4336 1 . CYS 124 124 4336 1 . GLU 125 125 4336 1 . GLU 126 126 4336 1 . GLU 127 127 4336 1 . ASP 128 128 4336 1 . ALA 129 129 4336 1 . ALA 130 130 4336 1 . HIS 131 131 4336 1 stop_ save_ save_S-AMDHP _Entity.Sf_category entity _Entity.Sf_framecode S-AMDHP _Entity.Entry_ID 4336 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name S-aminomethyldihydrolipoate _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID S-AMDHP _Entity.Nonpolymer_comp_label $chem_comp_S-AMDHP _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; lipoate is loaded with methylamine -CO-CH2-CH2-CH2-CH2-CH(SH)-CH2-CH2-S-CH2-NH3 ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID S-aminomethyldihydrolipoate abbreviation 4336 2 S-aminomethyldihydrolipoate common 4336 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . S-AMDHP . 4336 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . S-AMDHP 1 1 4336 2 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 4336 _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 $H-protein_peptide . 3888 . . 'Pisum sativum' 'Garden Pea' . . Eukaryota Viridiplantae Pisum sativum . . . leaf . . . . . mitochondria . . matrix . . . . . . . . 4336 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 4336 _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 $H-protein_peptide . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . pET-H . . . 'native (reference 5)' . . 4336 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_S-AMDHP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_S-AMDHP _Chem_comp.Entry_ID 4336 _Chem_comp.ID S-AMDHP _Chem_comp.Provenance . _Chem_comp.Name S-aminomethyldihydrolipoate _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula . _Chem_comp.Formula_weight . _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; lipoate is loaded with methylamine -CO-CH2-CH2-CH2-CH2-CH(SH)-CH2-CH2-S-CH2-NH3 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID S-aminomethyldihydrolipoate abbreviation 4336 S-AMDHP S-aminomethyldihydrolipoate common 4336 S-AMDHP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4336 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Glycine Cleavage System H-protein' '[U-99% 15N]' . . 1 $H-protein_peptide . . 2.0 . . mM . . . . 4336 1 2 'potassium phosphate' . . . . . . . 50 . . mM . . . . 4336 1 3 EDTA . . . . . . . 0.1 . . mM . . . . 4336 1 4 NaN3 . . . . . . . 0.2 . . % . . . . 4336 1 5 D2O . . . . . . . 10 . . % . . . . 4336 1 6 H2O . . . . . . . 90 . . % . . . . 4336 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4336 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Glycine Cleavage System H-protein' '[U-99% 13C; U-99% 15N]' . . 1 $H-protein_peptide . . 2.0 . . mM . . . . 4336 2 2 'potassium phosphate' . . . . . . . 50 . . mM . . . . 4336 2 3 EDTA . . . . . . . 0.1 . . mM . . . . 4336 2 4 NaN3 . . . . . . . 0.2 . . % . . . . 4336 2 5 D2O . . . . . . . 10 . . % . . . . 4336 2 6 H2O . . . . . . . 90 . . % . . . . 4336 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4336 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Ref_1 for pH and temperature references.' 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 pH 5.5 0.1 na 4336 1 temperature 291 1 K 4336 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4336 _Software.ID 1 _Software.Name FELIX _Software.Version '95.0; 97.0' _Software.Details . 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 4336 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 4336 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 4336 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4336 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 600 . . . 4336 1 2 spectrometer_2 Varian INOVA . 400 . . . 4336 1 3 spectrometer_3 Varian INOVA . 600 . . . 4336 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 4336 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4336 1 2 '3D 1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4336 1 3 '3D HNCA' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4336 1 4 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4336 1 5 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4336 1 6 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4336 1 7 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4336 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4336 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 2 $ref_1 . . . . 4336 1 H 1 H2O protons . . . . ppm 4.8483 internal direct . internal . . . . . . . . 4336 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 2 $ref_1 . . . . 4336 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4336 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4336 1 . . 2 $sample_two . 4336 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 SER H H 1 7.26 0.02 . 1 . . . . . . . . 4336 1 2 . 1 1 1 1 SER HA H 1 3.43 0.05 . 1 . . . . . . . . 4336 1 3 . 1 1 1 1 SER CA C 13 57.5 0.3 . 1 . . . . . . . . 4336 1 4 . 1 1 1 1 SER N N 15 124.8 0.2 . 1 . . . . . . . . 4336 1 5 . 1 1 2 2 ASN H H 1 10.60 0.02 . 1 . . . . . . . . 4336 1 6 . 1 1 2 2 ASN HA H 1 5.04 0.05 . 1 . . . . . . . . 4336 1 7 . 1 1 2 2 ASN HB2 H 1 2.85 0.05 . 2 . . . . . . . . 4336 1 8 . 1 1 2 2 ASN HB3 H 1 2.95 0.05 . 2 . . . . . . . . 4336 1 9 . 1 1 2 2 ASN HD21 H 1 6.89 0.02 . 2 . . . . . . . . 4336 1 10 . 1 1 2 2 ASN HD22 H 1 7.81 0.02 . 2 . . . . . . . . 4336 1 11 . 1 1 2 2 ASN CA C 13 53.3 0.3 . 1 . . . . . . . . 4336 1 12 . 1 1 2 2 ASN CB C 13 39.6 0.3 . 1 . . . . . . . . 4336 1 13 . 1 1 2 2 ASN N N 15 120.5 0.2 . 1 . . . . . . . . 4336 1 14 . 1 1 2 2 ASN ND2 N 15 112.6 0.2 . 1 . . . . . . . . 4336 1 15 . 1 1 3 3 VAL H H 1 9.16 0.02 . 1 . . . . . . . . 4336 1 16 . 1 1 3 3 VAL HA H 1 3.95 0.05 . 1 . . . . . . . . 4336 1 17 . 1 1 3 3 VAL HB H 1 1.95 0.05 . 1 . . . . . . . . 4336 1 18 . 1 1 3 3 VAL HG11 H 1 0.95 0.05 . 1 . . . . . . . . 4336 1 19 . 1 1 3 3 VAL HG12 H 1 0.95 0.05 . 1 . . . . . . . . 4336 1 20 . 1 1 3 3 VAL HG13 H 1 0.95 0.05 . 1 . . . . . . . . 4336 1 21 . 1 1 3 3 VAL HG21 H 1 0.95 0.05 . 1 . . . . . . . . 4336 1 22 . 1 1 3 3 VAL HG22 H 1 0.95 0.05 . 1 . . . . . . . . 4336 1 23 . 1 1 3 3 VAL HG23 H 1 0.95 0.05 . 1 . . . . . . . . 4336 1 24 . 1 1 3 3 VAL CA C 13 63.2 0.3 . 1 . . . . . . . . 4336 1 25 . 1 1 3 3 VAL CB C 13 34.7 0.3 . 1 . . . . . . . . 4336 1 26 . 1 1 3 3 VAL CG1 C 13 22.1 0.3 . 2 . . . . . . . . 4336 1 27 . 1 1 3 3 VAL CG2 C 13 21.6 0.3 . 2 . . . . . . . . 4336 1 28 . 1 1 3 3 VAL N N 15 128.6 0.2 . 1 . . . . . . . . 4336 1 29 . 1 1 4 4 LEU H H 1 6.63 0.02 . 1 . . . . . . . . 4336 1 30 . 1 1 4 4 LEU HA H 1 4.52 0.05 . 1 . . . . . . . . 4336 1 31 . 1 1 4 4 LEU HB2 H 1 1.29 0.05 . 2 . . . . . . . . 4336 1 32 . 1 1 4 4 LEU HB3 H 1 0.97 0.05 . 2 . . . . . . . . 4336 1 33 . 1 1 4 4 LEU HG H 1 0.67 0.05 . 1 . . . . . . . . 4336 1 34 . 1 1 4 4 LEU HD11 H 1 0.35 0.05 . 2 . . . . . . . . 4336 1 35 . 1 1 4 4 LEU HD12 H 1 0.35 0.05 . 2 . . . . . . . . 4336 1 36 . 1 1 4 4 LEU HD13 H 1 0.35 0.05 . 2 . . . . . . . . 4336 1 37 . 1 1 4 4 LEU HD21 H 1 0.55 0.05 . 2 . . . . . . . . 4336 1 38 . 1 1 4 4 LEU HD22 H 1 0.55 0.05 . 2 . . . . . . . . 4336 1 39 . 1 1 4 4 LEU HD23 H 1 0.55 0.05 . 2 . . . . . . . . 4336 1 40 . 1 1 4 4 LEU CA C 13 53.7 0.3 . 1 . . . . . . . . 4336 1 41 . 1 1 4 4 LEU CB C 13 42.1 0.3 . 1 . . . . . . . . 4336 1 42 . 1 1 4 4 LEU CG C 13 26.4 0.3 . 1 . . . . . . . . 4336 1 43 . 1 1 4 4 LEU CD1 C 13 25.3 0.3 . 2 . . . . . . . . 4336 1 44 . 1 1 4 4 LEU CD2 C 13 22.2 0.3 . 2 . . . . . . . . 4336 1 45 . 1 1 4 4 LEU N N 15 124.4 0.2 . 1 . . . . . . . . 4336 1 46 . 1 1 5 5 ASP H H 1 8.95 0.02 . 1 . . . . . . . . 4336 1 47 . 1 1 5 5 ASP HA H 1 4.6 0.05 . 1 . . . . . . . . 4336 1 48 . 1 1 5 5 ASP HB2 H 1 2.64 0.05 . 1 . . . . . . . . 4336 1 49 . 1 1 5 5 ASP HB3 H 1 2.64 0.05 . 1 . . . . . . . . 4336 1 50 . 1 1 5 5 ASP CA C 13 55.7 0.3 . 1 . . . . . . . . 4336 1 51 . 1 1 5 5 ASP CB C 13 41.0 0.3 . 1 . . . . . . . . 4336 1 52 . 1 1 5 5 ASP N N 15 124.0 0.2 . 1 . . . . . . . . 4336 1 53 . 1 1 6 6 GLY H H 1 8.67 0.02 . 1 . . . . . . . . 4336 1 54 . 1 1 6 6 GLY HA2 H 1 3.94 0.05 . 2 . . . . . . . . 4336 1 55 . 1 1 6 6 GLY HA3 H 1 4.06 0.05 . 2 . . . . . . . . 4336 1 56 . 1 1 6 6 GLY CA C 13 45.5 0.3 . 1 . . . . . . . . 4336 1 57 . 1 1 6 6 GLY N N 15 108.1 0.2 . 1 . . . . . . . . 4336 1 58 . 1 1 7 7 LEU H H 1 6.58 0.02 . 1 . . . . . . . . 4336 1 59 . 1 1 7 7 LEU HA H 1 4.71 0.05 . 1 . . . . . . . . 4336 1 60 . 1 1 7 7 LEU HB2 H 1 1.35 0.05 . 2 . . . . . . . . 4336 1 61 . 1 1 7 7 LEU HB3 H 1 1.05 0.05 . 2 . . . . . . . . 4336 1 62 . 1 1 7 7 LEU HG H 1 1.27 0.05 . 1 . . . . . . . . 4336 1 63 . 1 1 7 7 LEU HD11 H 1 0.59 0.05 . 2 . . . . . . . . 4336 1 64 . 1 1 7 7 LEU HD12 H 1 0.59 0.05 . 2 . . . . . . . . 4336 1 65 . 1 1 7 7 LEU HD13 H 1 0.59 0.05 . 2 . . . . . . . . 4336 1 66 . 1 1 7 7 LEU HD21 H 1 0.31 0.05 . 2 . . . . . . . . 4336 1 67 . 1 1 7 7 LEU HD22 H 1 0.31 0.05 . 2 . . . . . . . . 4336 1 68 . 1 1 7 7 LEU HD23 H 1 0.31 0.05 . 2 . . . . . . . . 4336 1 69 . 1 1 7 7 LEU CA C 13 53.3 0.3 . 1 . . . . . . . . 4336 1 70 . 1 1 7 7 LEU CB C 13 42.6 0.3 . 1 . . . . . . . . 4336 1 71 . 1 1 7 7 LEU CG C 13 27.2 0.3 . 1 . . . . . . . . 4336 1 72 . 1 1 7 7 LEU CD1 C 13 23.3 0.3 . 2 . . . . . . . . 4336 1 73 . 1 1 7 7 LEU CD2 C 13 25.3 0.3 . 2 . . . . . . . . 4336 1 74 . 1 1 7 7 LEU N N 15 117.8 0.2 . 1 . . . . . . . . 4336 1 75 . 1 1 8 8 LYS H H 1 7.72 0.02 . 1 . . . . . . . . 4336 1 76 . 1 1 8 8 LYS HA H 1 5.07 0.05 . 1 . . . . . . . . 4336 1 77 . 1 1 8 8 LYS HB2 H 1 1.50 0.05 . 1 . . . . . . . . 4336 1 78 . 1 1 8 8 LYS HB3 H 1 1.50 0.05 . 1 . . . . . . . . 4336 1 79 . 1 1 8 8 LYS HG2 H 1 1.51 0.05 . 1 . . . . . . . . 4336 1 80 . 1 1 8 8 LYS HG3 H 1 1.51 0.05 . 1 . . . . . . . . 4336 1 81 . 1 1 8 8 LYS HD2 H 1 1.76 0.05 . 1 . . . . . . . . 4336 1 82 . 1 1 8 8 LYS HD3 H 1 1.76 0.05 . 1 . . . . . . . . 4336 1 83 . 1 1 8 8 LYS HE2 H 1 2.97 0.05 . 1 . . . . . . . . 4336 1 84 . 1 1 8 8 LYS HE3 H 1 2.97 0.05 . 1 . . . . . . . . 4336 1 85 . 1 1 8 8 LYS CA C 13 53.3 0.3 . 1 . . . . . . . . 4336 1 86 . 1 1 8 8 LYS CB C 13 35.8 0.3 . 1 . . . . . . . . 4336 1 87 . 1 1 8 8 LYS CG C 13 24.4 0.3 . 1 . . . . . . . . 4336 1 88 . 1 1 8 8 LYS CD C 13 28.5 0.3 . 1 . . . . . . . . 4336 1 89 . 1 1 8 8 LYS CE C 13 42.0 0.3 . 1 . . . . . . . . 4336 1 90 . 1 1 8 8 LYS N N 15 115.1 0.2 . 1 . . . . . . . . 4336 1 91 . 1 1 9 9 TYR H H 1 9.24 0.02 . 1 . . . . . . . . 4336 1 92 . 1 1 9 9 TYR HA H 1 5.20 0.05 . 1 . . . . . . . . 4336 1 93 . 1 1 9 9 TYR HB2 H 1 2.23 0.05 . 1 . . . . . . . . 4336 1 94 . 1 1 9 9 TYR HB3 H 1 2.23 0.05 . 1 . . . . . . . . 4336 1 95 . 1 1 9 9 TYR CA C 13 57.3 0.3 . 1 . . . . . . . . 4336 1 96 . 1 1 9 9 TYR CB C 13 42.6 0.3 . 1 . . . . . . . . 4336 1 97 . 1 1 9 9 TYR N N 15 116.4 0.2 . 1 . . . . . . . . 4336 1 98 . 1 1 10 10 ALA H H 1 8.89 0.02 . 1 . . . . . . . . 4336 1 99 . 1 1 10 10 ALA HA H 1 5.12 0.05 . 1 . . . . . . . . 4336 1 100 . 1 1 10 10 ALA HB1 H 1 1.53 0.05 . 1 . . . . . . . . 4336 1 101 . 1 1 10 10 ALA HB2 H 1 1.53 0.05 . 1 . . . . . . . . 4336 1 102 . 1 1 10 10 ALA HB3 H 1 1.53 0.05 . 1 . . . . . . . . 4336 1 103 . 1 1 10 10 ALA CA C 13 48.0 0.3 . 1 . . . . . . . . 4336 1 104 . 1 1 10 10 ALA CB C 13 20.7 0.3 . 1 . . . . . . . . 4336 1 105 . 1 1 10 10 ALA N N 15 122.7 0.2 . 1 . . . . . . . . 4336 1 106 . 1 1 11 11 PRO HA H 1 3.56 0.05 . 1 . . . . . . . . 4336 1 107 . 1 1 11 11 PRO HB2 H 1 1.73 0.05 . 1 . . . . . . . . 4336 1 108 . 1 1 11 11 PRO HB3 H 1 1.73 0.05 . 1 . . . . . . . . 4336 1 109 . 1 1 11 11 PRO HG2 H 1 1.97 0.05 . 1 . . . . . . . . 4336 1 110 . 1 1 11 11 PRO HG3 H 1 1.97 0.05 . 1 . . . . . . . . 4336 1 111 . 1 1 11 11 PRO HD2 H 1 3.81 0.05 . 2 . . . . . . . . 4336 1 112 . 1 1 11 11 PRO HD3 H 1 3.70 0.05 . 2 . . . . . . . . 4336 1 113 . 1 1 11 11 PRO CA C 13 64.4 0.3 . 1 . . . . . . . . 4336 1 114 . 1 1 11 11 PRO CB C 13 31.6 0.3 . 1 . . . . . . . . 4336 1 115 . 1 1 11 11 PRO CG C 13 27.0 0.3 . 1 . . . . . . . . 4336 1 116 . 1 1 11 11 PRO CD C 13 50.61 0.3 . 1 . . . . . . . . 4336 1 117 . 1 1 12 12 SER H H 1 6.68 0.02 . 1 . . . . . . . . 4336 1 118 . 1 1 12 12 SER HA H 1 4.31 0.05 . 1 . . . . . . . . 4336 1 119 . 1 1 12 12 SER HB2 H 1 3.53 0.05 . 1 . . . . . . . . 4336 1 120 . 1 1 12 12 SER HB3 H 1 3.53 0.05 . 1 . . . . . . . . 4336 1 121 . 1 1 12 12 SER CA C 13 56.9 0.3 . 1 . . . . . . . . 4336 1 122 . 1 1 12 12 SER CB C 13 60.9 0.3 . 1 . . . . . . . . 4336 1 123 . 1 1 12 12 SER N N 15 102.9 0.2 . 1 . . . . . . . . 4336 1 124 . 1 1 13 13 HIS H H 1 8.08 0.02 . 1 . . . . . . . . 4336 1 125 . 1 1 13 13 HIS HA H 1 4.43 0.05 . 1 . . . . . . . . 4336 1 126 . 1 1 13 13 HIS HB2 H 1 3.98 0.05 . 2 . . . . . . . . 4336 1 127 . 1 1 13 13 HIS HB3 H 1 3.68 0.05 . 2 . . . . . . . . 4336 1 128 . 1 1 13 13 HIS HD2 H 1 7.17 0.05 . 1 . . . . . . . . 4336 1 129 . 1 1 13 13 HIS HE1 H 1 8.36 0.05 . 1 . . . . . . . . 4336 1 130 . 1 1 13 13 HIS CA C 13 59.3 0.3 . 1 . . . . . . . . 4336 1 131 . 1 1 13 13 HIS CB C 13 27.1 0.3 . 1 . . . . . . . . 4336 1 132 . 1 1 13 13 HIS CD2 C 13 118.2 0.3 . 1 . . . . . . . . 4336 1 133 . 1 1 13 13 HIS CE1 C 13 134.9 0.3 . 1 . . . . . . . . 4336 1 134 . 1 1 13 13 HIS N N 15 108.0 0.2 . 1 . . . . . . . . 4336 1 135 . 1 1 14 14 GLU H H 1 7.05 0.02 . 1 . . . . . . . . 4336 1 136 . 1 1 14 14 GLU HA H 1 5.44 0.05 . 1 . . . . . . . . 4336 1 137 . 1 1 14 14 GLU HB2 H 1 2.05 0.05 . 1 . . . . . . . . 4336 1 138 . 1 1 14 14 GLU HB3 H 1 2.05 0.05 . 1 . . . . . . . . 4336 1 139 . 1 1 14 14 GLU HG2 H 1 3.02 0.05 . 2 . . . . . . . . 4336 1 140 . 1 1 14 14 GLU HG3 H 1 1.97 0.05 . 2 . . . . . . . . 4336 1 141 . 1 1 14 14 GLU CA C 13 56.4 0.3 . 1 . . . . . . . . 4336 1 142 . 1 1 14 14 GLU CB C 13 30.2 0.3 . 1 . . . . . . . . 4336 1 143 . 1 1 14 14 GLU CG C 13 37.7 0.3 . 1 . . . . . . . . 4336 1 144 . 1 1 14 14 GLU N N 15 116.1 0.2 . 1 . . . . . . . . 4336 1 145 . 1 1 15 15 TRP H H 1 8.33 0.02 . 1 . . . . . . . . 4336 1 146 . 1 1 15 15 TRP HA H 1 5.60 0.05 . 1 . . . . . . . . 4336 1 147 . 1 1 15 15 TRP HB2 H 1 3.03 0.05 . 2 . . . . . . . . 4336 1 148 . 1 1 15 15 TRP HB3 H 1 2.88 0.05 . 2 . . . . . . . . 4336 1 149 . 1 1 15 15 TRP HD1 H 1 6.68 0.05 . 4 . . . . . . . . 4336 1 150 . 1 1 15 15 TRP HE3 H 1 7.19 0.05 . 4 . . . . . . . . 4336 1 151 . 1 1 15 15 TRP HZ3 H 1 6.48 0.05 . 4 . . . . . . . . 4336 1 152 . 1 1 15 15 TRP CA C 13 52.8 0.3 . 1 . . . . . . . . 4336 1 153 . 1 1 15 15 TRP CB C 13 35.1 0.3 . 1 . . . . . . . . 4336 1 154 . 1 1 15 15 TRP CD1 C 13 129.74 0.3 . 4 . . . . . . . . 4336 1 155 . 1 1 15 15 TRP CE3 C 13 123.4 0.3 . 4 . . . . . . . . 4336 1 156 . 1 1 15 15 TRP CZ3 C 13 127.2 0.3 . 4 . . . . . . . . 4336 1 157 . 1 1 15 15 TRP N N 15 115.8 0.2 . 1 . . . . . . . . 4336 1 158 . 1 1 16 16 VAL H H 1 8.92 0.02 . 1 . . . . . . . . 4336 1 159 . 1 1 16 16 VAL HA H 1 5.43 0.05 . 1 . . . . . . . . 4336 1 160 . 1 1 16 16 VAL HB H 1 1.73 0.05 . 1 . . . . . . . . 4336 1 161 . 1 1 16 16 VAL HG11 H 1 0.77 0.05 . 1 . . . . . . . . 4336 1 162 . 1 1 16 16 VAL HG12 H 1 0.77 0.05 . 1 . . . . . . . . 4336 1 163 . 1 1 16 16 VAL HG13 H 1 0.77 0.05 . 1 . . . . . . . . 4336 1 164 . 1 1 16 16 VAL HG21 H 1 0.77 0.05 . 1 . . . . . . . . 4336 1 165 . 1 1 16 16 VAL HG22 H 1 0.77 0.05 . 1 . . . . . . . . 4336 1 166 . 1 1 16 16 VAL HG23 H 1 0.77 0.05 . 1 . . . . . . . . 4336 1 167 . 1 1 16 16 VAL CA C 13 58.9 0.3 . 1 . . . . . . . . 4336 1 168 . 1 1 16 16 VAL CB C 13 35.3 0.3 . 1 . . . . . . . . 4336 1 169 . 1 1 16 16 VAL CG1 C 13 20.4 0.3 . 2 . . . . . . . . 4336 1 170 . 1 1 16 16 VAL CG2 C 13 22.7 0.3 . 2 . . . . . . . . 4336 1 171 . 1 1 16 16 VAL N N 15 113.5 0.2 . 1 . . . . . . . . 4336 1 172 . 1 1 17 17 LYS H H 1 9.55 0.02 . 1 . . . . . . . . 4336 1 173 . 1 1 17 17 LYS HA H 1 4.87 0.05 . 1 . . . . . . . . 4336 1 174 . 1 1 17 17 LYS HB2 H 1 2.11 0.05 . 1 . . . . . . . . 4336 1 175 . 1 1 17 17 LYS HB3 H 1 2.11 0.05 . 1 . . . . . . . . 4336 1 176 . 1 1 17 17 LYS HG2 H 1 1.35 0.05 . 2 . . . . . . . . 4336 1 177 . 1 1 17 17 LYS HG3 H 1 1.17 0.05 . 2 . . . . . . . . 4336 1 178 . 1 1 17 17 LYS HD2 H 1 1.61 0.05 . 1 . . . . . . . . 4336 1 179 . 1 1 17 17 LYS HD3 H 1 1.61 0.05 . 1 . . . . . . . . 4336 1 180 . 1 1 17 17 LYS HE2 H 1 2.83 0.05 . 1 . . . . . . . . 4336 1 181 . 1 1 17 17 LYS HE3 H 1 2.83 0.05 . 1 . . . . . . . . 4336 1 182 . 1 1 17 17 LYS CA C 13 54.4 0.3 . 1 . . . . . . . . 4336 1 183 . 1 1 17 17 LYS CB C 13 36.1 0.3 . 1 . . . . . . . . 4336 1 184 . 1 1 17 17 LYS CG C 13 25.2 0.3 . 1 . . . . . . . . 4336 1 185 . 1 1 17 17 LYS CD C 13 29.3 0.3 . 1 . . . . . . . . 4336 1 186 . 1 1 17 17 LYS CE C 13 41.8 0.3 . 1 . . . . . . . . 4336 1 187 . 1 1 17 17 LYS N N 15 129.7 0.2 . 1 . . . . . . . . 4336 1 188 . 1 1 18 18 HIS H H 1 9.48 0.02 . 1 . . . . . . . . 4336 1 189 . 1 1 18 18 HIS HA H 1 4.99 0.05 . 1 . . . . . . . . 4336 1 190 . 1 1 18 18 HIS HB2 H 1 3.30 0.05 . 2 . . . . . . . . 4336 1 191 . 1 1 18 18 HIS HB3 H 1 2.74 0.05 . 2 . . . . . . . . 4336 1 192 . 1 1 18 18 HIS HD2 H 1 6.75 0.05 . 1 . . . . . . . . 4336 1 193 . 1 1 18 18 HIS HE1 H 1 8.29 0.05 . 1 . . . . . . . . 4336 1 194 . 1 1 18 18 HIS CA C 13 55.4 0.3 . 1 . . . . . . . . 4336 1 195 . 1 1 18 18 HIS CB C 13 31.7 0.3 . 1 . . . . . . . . 4336 1 196 . 1 1 18 18 HIS CD2 C 13 117.1 0.3 . 1 . . . . . . . . 4336 1 197 . 1 1 18 18 HIS CE1 C 13 134.8 0.3 . 1 . . . . . . . . 4336 1 198 . 1 1 18 18 HIS N N 15 128.8 0.2 . 1 . . . . . . . . 4336 1 199 . 1 1 19 19 GLU H H 1 8.56 0.02 . 1 . . . . . . . . 4336 1 200 . 1 1 19 19 GLU HA H 1 4.50 0.05 . 1 . . . . . . . . 4336 1 201 . 1 1 19 19 GLU HB2 H 1 2.04 0.05 . 1 . . . . . . . . 4336 1 202 . 1 1 19 19 GLU HB3 H 1 2.04 0.05 . 1 . . . . . . . . 4336 1 203 . 1 1 19 19 GLU HG2 H 1 2.80 0.05 . 1 . . . . . . . . 4336 1 204 . 1 1 19 19 GLU HG3 H 1 2.80 0.05 . 1 . . . . . . . . 4336 1 205 . 1 1 19 19 GLU CA C 13 55.1 0.3 . 1 . . . . . . . . 4336 1 206 . 1 1 19 19 GLU CB C 13 36.1 0.3 . 1 . . . . . . . . 4336 1 207 . 1 1 19 19 GLU CG C 13 39.4 0.3 . 1 . . . . . . . . 4336 1 208 . 1 1 19 19 GLU N N 15 127.9 0.2 . 1 . . . . . . . . 4336 1 209 . 1 1 20 20 GLY H H 1 8.17 0.02 . 1 . . . . . . . . 4336 1 210 . 1 1 20 20 GLY HA2 H 1 4.10 0.05 . 2 . . . . . . . . 4336 1 211 . 1 1 20 20 GLY HA3 H 1 3.52 0.05 . 2 . . . . . . . . 4336 1 212 . 1 1 20 20 GLY CA C 13 47.0 0.3 . 1 . . . . . . . . 4336 1 213 . 1 1 20 20 GLY N N 15 113.1 0.2 . 1 . . . . . . . . 4336 1 214 . 1 1 21 21 SER H H 1 8.65 0.02 . 1 . . . . . . . . 4336 1 215 . 1 1 21 21 SER HA H 1 4.55 0.05 . 1 . . . . . . . . 4336 1 216 . 1 1 21 21 SER HB2 H 1 3.99 0.05 . 1 . . . . . . . . 4336 1 217 . 1 1 21 21 SER HB3 H 1 3.99 0.05 . 1 . . . . . . . . 4336 1 218 . 1 1 21 21 SER CA C 13 58.4 0.3 . 1 . . . . . . . . 4336 1 219 . 1 1 21 21 SER CB C 13 63.5 0.3 . 1 . . . . . . . . 4336 1 220 . 1 1 21 21 SER N N 15 120.3 0.2 . 1 . . . . . . . . 4336 1 221 . 1 1 22 22 VAL H H 1 7.46 0.02 . 1 . . . . . . . . 4336 1 222 . 1 1 22 22 VAL HA H 1 4.78 0.05 . 1 . . . . . . . . 4336 1 223 . 1 1 22 22 VAL HB H 1 1.92 0.05 . 1 . . . . . . . . 4336 1 224 . 1 1 22 22 VAL HG11 H 1 0.81 0.05 . 2 . . . . . . . . 4336 1 225 . 1 1 22 22 VAL HG12 H 1 0.81 0.05 . 2 . . . . . . . . 4336 1 226 . 1 1 22 22 VAL HG13 H 1 0.81 0.05 . 2 . . . . . . . . 4336 1 227 . 1 1 22 22 VAL CA C 13 60.5 0.3 . 1 . . . . . . . . 4336 1 228 . 1 1 22 22 VAL CB C 13 35.2 0.3 . 1 . . . . . . . . 4336 1 229 . 1 1 22 22 VAL CG1 C 13 21.0 0.3 . 2 . . . . . . . . 4336 1 230 . 1 1 22 22 VAL N N 15 117.6 0.2 . 1 . . . . . . . . 4336 1 231 . 1 1 23 23 ALA H H 1 9.13 0.02 . 1 . . . . . . . . 4336 1 232 . 1 1 23 23 ALA HA H 1 5.60 0.05 . 1 . . . . . . . . 4336 1 233 . 1 1 23 23 ALA HB1 H 1 1.07 0.05 . 1 . . . . . . . . 4336 1 234 . 1 1 23 23 ALA HB2 H 1 1.07 0.05 . 1 . . . . . . . . 4336 1 235 . 1 1 23 23 ALA HB3 H 1 1.07 0.05 . 1 . . . . . . . . 4336 1 236 . 1 1 23 23 ALA CA C 13 49.6 0.3 . 1 . . . . . . . . 4336 1 237 . 1 1 23 23 ALA CB C 13 21.6 0.3 . 1 . . . . . . . . 4336 1 238 . 1 1 23 23 ALA N N 15 126.9 0.2 . 1 . . . . . . . . 4336 1 239 . 1 1 24 24 THR H H 1 8.76 0.02 . 1 . . . . . . . . 4336 1 240 . 1 1 24 24 THR HA H 1 4.97 0.05 . 1 . . . . . . . . 4336 1 241 . 1 1 24 24 THR HB H 1 4.13 0.05 . 1 . . . . . . . . 4336 1 242 . 1 1 24 24 THR HG21 H 1 1.41 0.05 . 1 . . . . . . . . 4336 1 243 . 1 1 24 24 THR HG22 H 1 1.41 0.05 . 1 . . . . . . . . 4336 1 244 . 1 1 24 24 THR HG23 H 1 1.41 0.05 . 1 . . . . . . . . 4336 1 245 . 1 1 24 24 THR CA C 13 62.6 0.3 . 1 . . . . . . . . 4336 1 246 . 1 1 24 24 THR CB C 13 69.9 0.3 . 1 . . . . . . . . 4336 1 247 . 1 1 24 24 THR CG2 C 13 22.4 0.3 . 1 . . . . . . . . 4336 1 248 . 1 1 24 24 THR N N 15 120.6 0.2 . 1 . . . . . . . . 4336 1 249 . 1 1 25 25 ILE H H 1 8.73 0.02 . 1 . . . . . . . . 4336 1 250 . 1 1 25 25 ILE HA H 1 4.61 0.05 . 1 . . . . . . . . 4336 1 251 . 1 1 25 25 ILE HB H 1 1.30 0.05 . 1 . . . . . . . . 4336 1 252 . 1 1 25 25 ILE HG12 H 1 1.30 0.05 . 1 . . . . . . . . 4336 1 253 . 1 1 25 25 ILE HG13 H 1 1.30 0.05 . 1 . . . . . . . . 4336 1 254 . 1 1 25 25 ILE HG21 H 1 0.85 0.05 . 1 . . . . . . . . 4336 1 255 . 1 1 25 25 ILE HG22 H 1 0.85 0.05 . 1 . . . . . . . . 4336 1 256 . 1 1 25 25 ILE HG23 H 1 0.85 0.05 . 1 . . . . . . . . 4336 1 257 . 1 1 25 25 ILE HD11 H 1 0.59 0.05 . 1 . . . . . . . . 4336 1 258 . 1 1 25 25 ILE HD12 H 1 0.59 0.05 . 1 . . . . . . . . 4336 1 259 . 1 1 25 25 ILE HD13 H 1 0.59 0.05 . 1 . . . . . . . . 4336 1 260 . 1 1 25 25 ILE CA C 13 59.1 0.3 . 1 . . . . . . . . 4336 1 261 . 1 1 25 25 ILE CB C 13 42.7 0.3 . 1 . . . . . . . . 4336 1 262 . 1 1 25 25 ILE CG1 C 13 28.2 0.3 . 1 . . . . . . . . 4336 1 263 . 1 1 25 25 ILE CG2 C 13 17.1 0.3 . 1 . . . . . . . . 4336 1 264 . 1 1 25 25 ILE CD1 C 13 14.6 0.3 . 1 . . . . . . . . 4336 1 265 . 1 1 25 25 ILE N N 15 126.1 0.2 . 1 . . . . . . . . 4336 1 266 . 1 1 26 26 GLY H H 1 5.99 0.02 . 1 . . . . . . . . 4336 1 267 . 1 1 26 26 GLY HA2 H 1 3.87 0.05 . 1 . . . . . . . . 4336 1 268 . 1 1 26 26 GLY HA3 H 1 3.84 0.05 . 1 . . . . . . . . 4336 1 269 . 1 1 26 26 GLY CA C 13 44.3 0.3 . 1 . . . . . . . . 4336 1 270 . 1 1 26 26 GLY N N 15 113.6 0.2 . 1 . . . . . . . . 4336 1 271 . 1 1 27 27 ILE H H 1 9.83 0.02 . 1 . . . . . . . . 4336 1 272 . 1 1 27 27 ILE HA H 1 5.62 0.05 . 1 . . . . . . . . 4336 1 273 . 1 1 27 27 ILE HB H 1 2.25 0.05 . 1 . . . . . . . . 4336 1 274 . 1 1 27 27 ILE HG12 H 1 0.97 0.05 . 1 . . . . . . . . 4336 1 275 . 1 1 27 27 ILE HG13 H 1 0.97 0.05 . 1 . . . . . . . . 4336 1 276 . 1 1 27 27 ILE HG21 H 1 0.96 0.05 . 1 . . . . . . . . 4336 1 277 . 1 1 27 27 ILE HG22 H 1 0.96 0.05 . 1 . . . . . . . . 4336 1 278 . 1 1 27 27 ILE HG23 H 1 0.96 0.05 . 1 . . . . . . . . 4336 1 279 . 1 1 27 27 ILE HD11 H 1 0.76 0.05 . 1 . . . . . . . . 4336 1 280 . 1 1 27 27 ILE HD12 H 1 0.76 0.05 . 1 . . . . . . . . 4336 1 281 . 1 1 27 27 ILE HD13 H 1 0.76 0.05 . 1 . . . . . . . . 4336 1 282 . 1 1 27 27 ILE CA C 13 59.7 0.3 . 1 . . . . . . . . 4336 1 283 . 1 1 27 27 ILE CB C 13 39.8 0.3 . 1 . . . . . . . . 4336 1 284 . 1 1 27 27 ILE CG1 C 13 21.1 0.3 . 1 . . . . . . . . 4336 1 285 . 1 1 27 27 ILE CG2 C 13 18.4 0.3 . 1 . . . . . . . . 4336 1 286 . 1 1 27 27 ILE CD1 C 13 14.1 0.3 . 1 . . . . . . . . 4336 1 287 . 1 1 27 27 ILE N N 15 112.7 0.2 . 1 . . . . . . . . 4336 1 288 . 1 1 28 28 THR H H 1 8.01 0.02 . 1 . . . . . . . . 4336 1 289 . 1 1 28 28 THR HA H 1 4.42 0.05 . 1 . . . . . . . . 4336 1 290 . 1 1 28 28 THR HB H 1 5.53 0.05 . 1 . . . . . . . . 4336 1 291 . 1 1 28 28 THR HG21 H 1 1.76 0.05 . 1 . . . . . . . . 4336 1 292 . 1 1 28 28 THR HG22 H 1 1.76 0.05 . 1 . . . . . . . . 4336 1 293 . 1 1 28 28 THR HG23 H 1 1.76 0.05 . 1 . . . . . . . . 4336 1 294 . 1 1 28 28 THR CA C 13 61.2 0.3 . 1 . . . . . . . . 4336 1 295 . 1 1 28 28 THR CB C 13 71.5 0.3 . 1 . . . . . . . . 4336 1 296 . 1 1 28 28 THR CG2 C 13 23.2 0.3 . 1 . . . . . . . . 4336 1 297 . 1 1 28 28 THR N N 15 106.4 0.2 . 1 . . . . . . . . 4336 1 298 . 1 1 29 29 ASP H H 1 7.59 0.02 . 1 . . . . . . . . 4336 1 299 . 1 1 29 29 ASP HA H 1 4.81 0.05 . 1 . . . . . . . . 4336 1 300 . 1 1 29 29 ASP HB2 H 1 2.93 0.05 . 2 . . . . . . . . 4336 1 301 . 1 1 29 29 ASP HB3 H 1 3.41 0.05 . 2 . . . . . . . . 4336 1 302 . 1 1 29 29 ASP CA C 13 57.0 0.3 . 1 . . . . . . . . 4336 1 303 . 1 1 29 29 ASP CB C 13 40.8 0.3 . 1 . . . . . . . . 4336 1 304 . 1 1 29 29 ASP N N 15 115.8 0.2 . 1 . . . . . . . . 4336 1 305 . 1 1 30 30 HIS H H 1 9.07 0.02 . 1 . . . . . . . . 4336 1 306 . 1 1 30 30 HIS HA H 1 4.44 0.05 . 1 . . . . . . . . 4336 1 307 . 1 1 30 30 HIS HB2 H 1 3.47 0.05 . 2 . . . . . . . . 4336 1 308 . 1 1 30 30 HIS HB3 H 1 3.13 0.05 . 2 . . . . . . . . 4336 1 309 . 1 1 30 30 HIS HD2 H 1 6.95 0.05 . 1 . . . . . . . . 4336 1 310 . 1 1 30 30 HIS CA C 13 59.2 0.3 . 1 . . . . . . . . 4336 1 311 . 1 1 30 30 HIS CB C 13 29.7 0.3 . 1 . . . . . . . . 4336 1 312 . 1 1 30 30 HIS CD2 C 13 118.3 0.3 . 1 . . . . . . . . 4336 1 313 . 1 1 30 30 HIS N N 15 117.8 0.2 . 1 . . . . . . . . 4336 1 314 . 1 1 31 31 ALA H H 1 7.74 0.02 . 1 . . . . . . . . 4336 1 315 . 1 1 31 31 ALA HA H 1 4.37 0.05 . 1 . . . . . . . . 4336 1 316 . 1 1 31 31 ALA HB1 H 1 1.94 0.05 . 1 . . . . . . . . 4336 1 317 . 1 1 31 31 ALA HB2 H 1 1.94 0.05 . 1 . . . . . . . . 4336 1 318 . 1 1 31 31 ALA HB3 H 1 1.94 0.05 . 1 . . . . . . . . 4336 1 319 . 1 1 31 31 ALA CA C 13 55.1 0.3 . 1 . . . . . . . . 4336 1 320 . 1 1 31 31 ALA CB C 13 18.5 0.3 . 1 . . . . . . . . 4336 1 321 . 1 1 31 31 ALA N N 15 119.5 0.2 . 1 . . . . . . . . 4336 1 322 . 1 1 32 32 GLN H H 1 8.35 0.02 . 1 . . . . . . . . 4336 1 323 . 1 1 32 32 GLN HA H 1 4.02 0.05 . 1 . . . . . . . . 4336 1 324 . 1 1 32 32 GLN HB2 H 1 2.87 0.05 . 1 . . . . . . . . 4336 1 325 . 1 1 32 32 GLN HB3 H 1 2.87 0.05 . 1 . . . . . . . . 4336 1 326 . 1 1 32 32 GLN HG2 H 1 3.66 0.05 . 1 . . . . . . . . 4336 1 327 . 1 1 32 32 GLN HG3 H 1 3.66 0.05 . 1 . . . . . . . . 4336 1 328 . 1 1 32 32 GLN HE21 H 1 8.06 0.02 . 2 . . . . . . . . 4336 1 329 . 1 1 32 32 GLN HE22 H 1 6.75 0.02 . 2 . . . . . . . . 4336 1 330 . 1 1 32 32 GLN CA C 13 58.9 0.3 . 1 . . . . . . . . 4336 1 331 . 1 1 32 32 GLN CB C 13 31.0 0.3 . 1 . . . . . . . . 4336 1 332 . 1 1 32 32 GLN CG C 13 31.0 0.3 . 1 . . . . . . . . 4336 1 333 . 1 1 32 32 GLN N N 15 115.9 0.2 . 1 . . . . . . . . 4336 1 334 . 1 1 32 32 GLN NE2 N 15 110.6 0.2 . 1 . . . . . . . . 4336 1 335 . 1 1 33 33 ASP H H 1 8.37 0.02 . 1 . . . . . . . . 4336 1 336 . 1 1 33 33 ASP HA H 1 4.07 0.05 . 1 . . . . . . . . 4336 1 337 . 1 1 33 33 ASP HB2 H 1 2.84 0.05 . 2 . . . . . . . . 4336 1 338 . 1 1 33 33 ASP HB3 H 1 2.65 0.05 . 2 . . . . . . . . 4336 1 339 . 1 1 33 33 ASP CA C 13 56.3 0.3 . 1 . . . . . . . . 4336 1 340 . 1 1 33 33 ASP CB C 13 41.9 0.3 . 1 . . . . . . . . 4336 1 341 . 1 1 33 33 ASP N N 15 120.2 0.2 . 1 . . . . . . . . 4336 1 342 . 1 1 34 34 HIS H H 1 7.75 0.02 . 1 . . . . . . . . 4336 1 343 . 1 1 34 34 HIS HA H 1 4.11 0.05 . 1 . . . . . . . . 4336 1 344 . 1 1 34 34 HIS HB2 H 1 3.13 0.05 . 2 . . . . . . . . 4336 1 345 . 1 1 34 34 HIS HB3 H 1 2.95 0.05 . 2 . . . . . . . . 4336 1 346 . 1 1 34 34 HIS HE1 H 1 8.4 0.05 . 1 . . . . . . . . 4336 1 347 . 1 1 34 34 HIS CA C 13 57.9 0.3 . 1 . . . . . . . . 4336 1 348 . 1 1 34 34 HIS CB C 13 28.6 0.3 . 1 . . . . . . . . 4336 1 349 . 1 1 34 34 HIS CE1 C 13 135.2 0.3 . 1 . . . . . . . . 4336 1 350 . 1 1 34 34 HIS N N 15 113.2 0.2 . 1 . . . . . . . . 4336 1 351 . 1 1 35 35 LEU H H 1 8.40 0.02 . 1 . . . . . . . . 4336 1 352 . 1 1 35 35 LEU HA H 1 3.88 0.05 . 1 . . . . . . . . 4336 1 353 . 1 1 35 35 LEU HB2 H 1 1.95 0.05 . 2 . . . . . . . . 4336 1 354 . 1 1 35 35 LEU HB3 H 1 1.43 0.05 . 2 . . . . . . . . 4336 1 355 . 1 1 35 35 LEU HG H 1 1.62 0.05 . 1 . . . . . . . . 4336 1 356 . 1 1 35 35 LEU HD11 H 1 0.77 0.05 . 2 . . . . . . . . 4336 1 357 . 1 1 35 35 LEU HD12 H 1 0.77 0.05 . 2 . . . . . . . . 4336 1 358 . 1 1 35 35 LEU HD13 H 1 0.77 0.05 . 2 . . . . . . . . 4336 1 359 . 1 1 35 35 LEU HD21 H 1 0.70 0.05 . 2 . . . . . . . . 4336 1 360 . 1 1 35 35 LEU HD22 H 1 0.70 0.05 . 2 . . . . . . . . 4336 1 361 . 1 1 35 35 LEU HD23 H 1 0.70 0.05 . 2 . . . . . . . . 4336 1 362 . 1 1 35 35 LEU CA C 13 58.2 0.3 . 1 . . . . . . . . 4336 1 363 . 1 1 35 35 LEU CB C 13 43.5 0.3 . 1 . . . . . . . . 4336 1 364 . 1 1 35 35 LEU CG C 13 26.7 0.3 . 1 . . . . . . . . 4336 1 365 . 1 1 35 35 LEU CD1 C 13 24.5 0.3 . 2 . . . . . . . . 4336 1 366 . 1 1 35 35 LEU CD2 C 13 25.7 0.3 . 2 . . . . . . . . 4336 1 367 . 1 1 35 35 LEU N N 15 122.1 0.2 . 1 . . . . . . . . 4336 1 368 . 1 1 36 36 GLY H H 1 7.66 0.02 . 1 . . . . . . . . 4336 1 369 . 1 1 36 36 GLY HA2 H 1 4.26 0.05 . 2 . . . . . . . . 4336 1 370 . 1 1 36 36 GLY HA3 H 1 3.71 0.05 . 2 . . . . . . . . 4336 1 371 . 1 1 36 36 GLY CA C 13 43.6 0.3 . 1 . . . . . . . . 4336 1 372 . 1 1 36 36 GLY N N 15 105.4 0.2 . 1 . . . . . . . . 4336 1 373 . 1 1 37 37 GLU H H 1 8.05 0.02 . 1 . . . . . . . . 4336 1 374 . 1 1 37 37 GLU HA H 1 3.92 0.05 . 1 . . . . . . . . 4336 1 375 . 1 1 37 37 GLU HB2 H 1 2.27 0.05 . 2 . . . . . . . . 4336 1 376 . 1 1 37 37 GLU HB3 H 1 1.91 0.05 . 2 . . . . . . . . 4336 1 377 . 1 1 37 37 GLU HG2 H 1 2.27 0.05 . 2 . . . . . . . . 4336 1 378 . 1 1 37 37 GLU HG3 H 1 1.99 0.05 . 2 . . . . . . . . 4336 1 379 . 1 1 37 37 GLU CA C 13 57.0 0.3 . 1 . . . . . . . . 4336 1 380 . 1 1 37 37 GLU CB C 13 29.0 0.3 . 1 . . . . . . . . 4336 1 381 . 1 1 37 37 GLU CG C 13 35.2 0.3 . 1 . . . . . . . . 4336 1 382 . 1 1 37 37 GLU N N 15 118.2 0.2 . 1 . . . . . . . . 4336 1 383 . 1 1 38 38 VAL H H 1 9.57 0.02 . 1 . . . . . . . . 4336 1 384 . 1 1 38 38 VAL HA H 1 3.76 0.05 . 1 . . . . . . . . 4336 1 385 . 1 1 38 38 VAL HB H 1 1.96 0.05 . 1 . . . . . . . . 4336 1 386 . 1 1 38 38 VAL HG11 H 1 0.96 0.05 . 2 . . . . . . . . 4336 1 387 . 1 1 38 38 VAL HG12 H 1 0.96 0.05 . 2 . . . . . . . . 4336 1 388 . 1 1 38 38 VAL HG13 H 1 0.96 0.05 . 2 . . . . . . . . 4336 1 389 . 1 1 38 38 VAL HG21 H 1 0.88 0.05 . 2 . . . . . . . . 4336 1 390 . 1 1 38 38 VAL HG22 H 1 0.88 0.05 . 2 . . . . . . . . 4336 1 391 . 1 1 38 38 VAL HG23 H 1 0.88 0.05 . 2 . . . . . . . . 4336 1 392 . 1 1 38 38 VAL CA C 13 64.3 0.3 . 1 . . . . . . . . 4336 1 393 . 1 1 38 38 VAL CB C 13 31.3 0.3 . 1 . . . . . . . . 4336 1 394 . 1 1 38 38 VAL CG1 C 13 22.5 0.3 . 2 . . . . . . . . 4336 1 395 . 1 1 38 38 VAL CG2 C 13 23.3 0.3 . 2 . . . . . . . . 4336 1 396 . 1 1 38 38 VAL N N 15 130.3 0.2 . 1 . . . . . . . . 4336 1 397 . 1 1 39 39 VAL H H 1 9.09 0.02 . 1 . . . . . . . . 4336 1 398 . 1 1 39 39 VAL HA H 1 4.49 0.05 . 1 . . . . . . . . 4336 1 399 . 1 1 39 39 VAL HB H 1 2.27 0.05 . 1 . . . . . . . . 4336 1 400 . 1 1 39 39 VAL HG11 H 1 0.87 0.05 . 2 . . . . . . . . 4336 1 401 . 1 1 39 39 VAL HG12 H 1 0.87 0.05 . 2 . . . . . . . . 4336 1 402 . 1 1 39 39 VAL HG13 H 1 0.87 0.05 . 2 . . . . . . . . 4336 1 403 . 1 1 39 39 VAL HG21 H 1 0.71 0.05 . 2 . . . . . . . . 4336 1 404 . 1 1 39 39 VAL HG22 H 1 0.71 0.05 . 2 . . . . . . . . 4336 1 405 . 1 1 39 39 VAL HG23 H 1 0.71 0.05 . 2 . . . . . . . . 4336 1 406 . 1 1 39 39 VAL CA C 13 60.8 0.3 . 1 . . . . . . . . 4336 1 407 . 1 1 39 39 VAL CB C 13 33.0 0.3 . 1 . . . . . . . . 4336 1 408 . 1 1 39 39 VAL CG1 C 13 21.1 0.3 . 2 . . . . . . . . 4336 1 409 . 1 1 39 39 VAL CG2 C 13 18.1 0.3 . 2 . . . . . . . . 4336 1 410 . 1 1 39 39 VAL N N 15 118.6 0.2 . 1 . . . . . . . . 4336 1 411 . 1 1 40 40 PHE H H 1 7.98 0.02 . 1 . . . . . . . . 4336 1 412 . 1 1 40 40 PHE HA H 1 4.80 0.05 . 1 . . . . . . . . 4336 1 413 . 1 1 40 40 PHE HB2 H 1 3.31 0.05 . 1 . . . . . . . . 4336 1 414 . 1 1 40 40 PHE HB3 H 1 2.74 0.05 . 1 . . . . . . . . 4336 1 415 . 1 1 40 40 PHE HD1 H 1 7.16 0.05 . 4 . . . . . . . . 4336 1 416 . 1 1 40 40 PHE HD2 H 1 7.16 0.05 . 4 . . . . . . . . 4336 1 417 . 1 1 40 40 PHE HE1 H 1 7.31 0.05 . 4 . . . . . . . . 4336 1 418 . 1 1 40 40 PHE HE2 H 1 7.31 0.05 . 4 . . . . . . . . 4336 1 419 . 1 1 40 40 PHE HZ H 1 7.28 0.05 . 1 . . . . . . . . 4336 1 420 . 1 1 40 40 PHE CA C 13 58.6 0.3 . 1 . . . . . . . . 4336 1 421 . 1 1 40 40 PHE CB C 13 42.0 0.3 . 1 . . . . . . . . 4336 1 422 . 1 1 40 40 PHE CD1 C 13 130.3 0.3 . 4 . . . . . . . . 4336 1 423 . 1 1 40 40 PHE CD2 C 13 130.3 0.3 . 4 . . . . . . . . 4336 1 424 . 1 1 40 40 PHE CE1 C 13 130.3 0.3 . 4 . . . . . . . . 4336 1 425 . 1 1 40 40 PHE CE2 C 13 130.3 0.3 . 4 . . . . . . . . 4336 1 426 . 1 1 40 40 PHE CZ C 13 128.8 0.3 . 1 . . . . . . . . 4336 1 427 . 1 1 40 40 PHE N N 15 122.2 0.2 . 1 . . . . . . . . 4336 1 428 . 1 1 41 41 VAL H H 1 7.55 0.02 . 1 . . . . . . . . 4336 1 429 . 1 1 41 41 VAL HA H 1 4.57 0.05 . 1 . . . . . . . . 4336 1 430 . 1 1 41 41 VAL HB H 1 1.65 0.05 . 1 . . . . . . . . 4336 1 431 . 1 1 41 41 VAL HG11 H 1 0.81 0.05 . 1 . . . . . . . . 4336 1 432 . 1 1 41 41 VAL HG12 H 1 0.81 0.05 . 1 . . . . . . . . 4336 1 433 . 1 1 41 41 VAL HG13 H 1 0.81 0.05 . 1 . . . . . . . . 4336 1 434 . 1 1 41 41 VAL CA C 13 59.5 0.3 . 1 . . . . . . . . 4336 1 435 . 1 1 41 41 VAL CB C 13 34.6 0.3 . 1 . . . . . . . . 4336 1 436 . 1 1 41 41 VAL CG1 C 13 21.3 0.3 . 2 . . . . . . . . 4336 1 437 . 1 1 41 41 VAL N N 15 123.9 0.2 . 1 . . . . . . . . 4336 1 438 . 1 1 42 42 GLU H H 1 8.67 0.02 . 1 . . . . . . . . 4336 1 439 . 1 1 42 42 GLU HA H 1 4.37 0.05 . 1 . . . . . . . . 4336 1 440 . 1 1 42 42 GLU HB2 H 1 1.99 0.05 . 2 . . . . . . . . 4336 1 441 . 1 1 42 42 GLU HB3 H 1 1.93 0.05 . 2 . . . . . . . . 4336 1 442 . 1 1 42 42 GLU HG2 H 1 2.24 0.05 . 1 . . . . . . . . 4336 1 443 . 1 1 42 42 GLU HG3 H 1 2.24 0.05 . 1 . . . . . . . . 4336 1 444 . 1 1 42 42 GLU CA C 13 55.0 0.3 . 1 . . . . . . . . 4336 1 445 . 1 1 42 42 GLU CB C 13 31.2 0.3 . 1 . . . . . . . . 4336 1 446 . 1 1 42 42 GLU CG C 13 35.1 0.3 . 1 . . . . . . . . 4336 1 447 . 1 1 42 42 GLU N N 15 126.4 0.2 . 1 . . . . . . . . 4336 1 448 . 1 1 43 43 LEU H H 1 8.30 0.02 . 1 . . . . . . . . 4336 1 449 . 1 1 43 43 LEU HA H 1 4.90 0.05 . 1 . . . . . . . . 4336 1 450 . 1 1 43 43 LEU HB2 H 1 1.60 0.05 . 2 . . . . . . . . 4336 1 451 . 1 1 43 43 LEU HB3 H 1 1.44 0.05 . 2 . . . . . . . . 4336 1 452 . 1 1 43 43 LEU HG H 1 1.59 0.05 . 1 . . . . . . . . 4336 1 453 . 1 1 43 43 LEU HD11 H 1 0.88 0.05 . 2 . . . . . . . . 4336 1 454 . 1 1 43 43 LEU HD12 H 1 0.88 0.05 . 2 . . . . . . . . 4336 1 455 . 1 1 43 43 LEU HD13 H 1 0.88 0.05 . 2 . . . . . . . . 4336 1 456 . 1 1 43 43 LEU HD21 H 1 0.77 0.05 . 2 . . . . . . . . 4336 1 457 . 1 1 43 43 LEU HD22 H 1 0.77 0.05 . 2 . . . . . . . . 4336 1 458 . 1 1 43 43 LEU HD23 H 1 0.77 0.05 . 2 . . . . . . . . 4336 1 459 . 1 1 43 43 LEU CA C 13 51.1 0.3 . 1 . . . . . . . . 4336 1 460 . 1 1 43 43 LEU CB C 13 43.6 0.3 . 1 . . . . . . . . 4336 1 461 . 1 1 43 43 LEU CG C 13 26.5 0.3 . 1 . . . . . . . . 4336 1 462 . 1 1 43 43 LEU CD1 C 13 23.2 0.3 . 2 . . . . . . . . 4336 1 463 . 1 1 43 43 LEU CD2 C 13 25.6 0.3 . 2 . . . . . . . . 4336 1 464 . 1 1 43 43 LEU N N 15 123.8 0.2 . 1 . . . . . . . . 4336 1 465 . 1 1 44 44 PRO HA H 1 4.85 0.05 . 1 . . . . . . . . 4336 1 466 . 1 1 44 44 PRO HB2 H 1 2.51 0.05 . 2 . . . . . . . . 4336 1 467 . 1 1 44 44 PRO HB3 H 1 2.12 0.05 . 2 . . . . . . . . 4336 1 468 . 1 1 44 44 PRO HG2 H 1 1.85 0.05 . 2 . . . . . . . . 4336 1 469 . 1 1 44 44 PRO HG3 H 1 1.64 0.05 . 2 . . . . . . . . 4336 1 470 . 1 1 44 44 PRO HD2 H 1 3.44 0.05 . 1 . . . . . . . . 4336 1 471 . 1 1 44 44 PRO HD3 H 1 3.44 0.05 . 1 . . . . . . . . 4336 1 472 . 1 1 44 44 PRO CA C 13 61.8 0.3 . 1 . . . . . . . . 4336 1 473 . 1 1 44 44 PRO CB C 13 32.1 0.3 . 1 . . . . . . . . 4336 1 474 . 1 1 44 44 PRO CG C 13 26.6 0.3 . 1 . . . . . . . . 4336 1 475 . 1 1 44 44 PRO CD C 13 48.9 0.3 . 1 . . . . . . . . 4336 1 476 . 1 1 45 45 GLU H H 1 7.78 0.02 . 1 . . . . . . . . 4336 1 477 . 1 1 45 45 GLU HA H 1 4.67 0.05 . 1 . . . . . . . . 4336 1 478 . 1 1 45 45 GLU HB2 H 1 2.09 0.05 . 2 . . . . . . . . 4336 1 479 . 1 1 45 45 GLU HB3 H 1 1.78 0.05 . 2 . . . . . . . . 4336 1 480 . 1 1 45 45 GLU HG2 H 1 2.37 0.05 . 1 . . . . . . . . 4336 1 481 . 1 1 45 45 GLU HG3 H 1 2.37 0.05 . 1 . . . . . . . . 4336 1 482 . 1 1 45 45 GLU CA C 13 53.6 0.3 . 1 . . . . . . . . 4336 1 483 . 1 1 45 45 GLU CB C 13 29.8 0.3 . 1 . . . . . . . . 4336 1 484 . 1 1 45 45 GLU CG C 13 35.7 0.3 . 1 . . . . . . . . 4336 1 485 . 1 1 45 45 GLU N N 15 116.0 0.2 . 1 . . . . . . . . 4336 1 486 . 1 1 46 46 PRO CA C 13 63.5 0.3 . 1 . . . . . . . . 4336 1 487 . 1 1 47 47 GLY H H 1 8.76 0.02 . 1 . . . . . . . . 4336 1 488 . 1 1 47 47 GLY HA2 H 1 4.48 0.05 . 2 . . . . . . . . 4336 1 489 . 1 1 47 47 GLY HA3 H 1 3.76 0.05 . 2 . . . . . . . . 4336 1 490 . 1 1 47 47 GLY CA C 13 44.5 0.3 . 1 . . . . . . . . 4336 1 491 . 1 1 47 47 GLY N N 15 110.9 0.2 . 1 . . . . . . . . 4336 1 492 . 1 1 48 48 VAL H H 1 7.20 0.02 . 1 . . . . . . . . 4336 1 493 . 1 1 48 48 VAL HA H 1 4.40 0.05 . 1 . . . . . . . . 4336 1 494 . 1 1 48 48 VAL HB H 1 2.35 0.05 . 1 . . . . . . . . 4336 1 495 . 1 1 48 48 VAL HG11 H 1 1.12 0.05 . 2 . . . . . . . . 4336 1 496 . 1 1 48 48 VAL HG12 H 1 1.12 0.05 . 2 . . . . . . . . 4336 1 497 . 1 1 48 48 VAL HG13 H 1 1.12 0.05 . 2 . . . . . . . . 4336 1 498 . 1 1 48 48 VAL HG21 H 1 1.06 0.05 . 2 . . . . . . . . 4336 1 499 . 1 1 48 48 VAL HG22 H 1 1.06 0.05 . 2 . . . . . . . . 4336 1 500 . 1 1 48 48 VAL HG23 H 1 1.06 0.05 . 2 . . . . . . . . 4336 1 501 . 1 1 48 48 VAL CA C 13 61.5 0.3 . 1 . . . . . . . . 4336 1 502 . 1 1 48 48 VAL CB C 13 33.0 0.3 . 1 . . . . . . . . 4336 1 503 . 1 1 48 48 VAL CG1 C 13 20.0 0.3 . 2 . . . . . . . . 4336 1 504 . 1 1 48 48 VAL CG2 C 13 20.6 0.3 . 2 . . . . . . . . 4336 1 505 . 1 1 48 48 VAL N N 15 115.9 0.2 . 1 . . . . . . . . 4336 1 506 . 1 1 49 49 SER H H 1 8.56 0.02 . 1 . . . . . . . . 4336 1 507 . 1 1 49 49 SER HA H 1 5.24 0.05 . 1 . . . . . . . . 4336 1 508 . 1 1 49 49 SER HB2 H 1 3.84 0.05 . 2 . . . . . . . . 4336 1 509 . 1 1 49 49 SER HB3 H 1 3.78 0.05 . 2 . . . . . . . . 4336 1 510 . 1 1 49 49 SER CA C 13 58.2 0.3 . 1 . . . . . . . . 4336 1 511 . 1 1 49 49 SER CB C 13 64.1 0.3 . 1 . . . . . . . . 4336 1 512 . 1 1 49 49 SER N N 15 117.7 0.2 . 1 . . . . . . . . 4336 1 513 . 1 1 50 50 VAL H H 1 9.17 0.02 . 1 . . . . . . . . 4336 1 514 . 1 1 50 50 VAL HA H 1 4.69 0.05 . 1 . . . . . . . . 4336 1 515 . 1 1 50 50 VAL HB H 1 2.38 0.05 . 1 . . . . . . . . 4336 1 516 . 1 1 50 50 VAL HG11 H 1 0.61 0.05 . 2 . . . . . . . . 4336 1 517 . 1 1 50 50 VAL HG12 H 1 0.61 0.05 . 2 . . . . . . . . 4336 1 518 . 1 1 50 50 VAL HG13 H 1 0.61 0.05 . 2 . . . . . . . . 4336 1 519 . 1 1 50 50 VAL HG21 H 1 0.60 0.05 . 2 . . . . . . . . 4336 1 520 . 1 1 50 50 VAL HG22 H 1 0.60 0.05 . 2 . . . . . . . . 4336 1 521 . 1 1 50 50 VAL HG23 H 1 0.60 0.05 . 2 . . . . . . . . 4336 1 522 . 1 1 50 50 VAL CA C 13 59.2 0.3 . 1 . . . . . . . . 4336 1 523 . 1 1 50 50 VAL CB C 13 33.5 0.3 . 1 . . . . . . . . 4336 1 524 . 1 1 50 50 VAL CG1 C 13 19.0 0.3 . 2 . . . . . . . . 4336 1 525 . 1 1 50 50 VAL CG2 C 13 21.7 0.3 . 2 . . . . . . . . 4336 1 526 . 1 1 50 50 VAL N N 15 116.6 0.2 . 1 . . . . . . . . 4336 1 527 . 1 1 51 51 THR H H 1 9.19 0.02 . 1 . . . . . . . . 4336 1 528 . 1 1 51 51 THR HA H 1 4.40 0.05 . 1 . . . . . . . . 4336 1 529 . 1 1 51 51 THR HB H 1 3.63 0.05 . 1 . . . . . . . . 4336 1 530 . 1 1 51 51 THR HG21 H 1 1.23 0.05 . 1 . . . . . . . . 4336 1 531 . 1 1 51 51 THR HG22 H 1 1.23 0.05 . 1 . . . . . . . . 4336 1 532 . 1 1 51 51 THR HG23 H 1 1.23 0.05 . 1 . . . . . . . . 4336 1 533 . 1 1 51 51 THR CA C 13 61.5 0.3 . 1 . . . . . . . . 4336 1 534 . 1 1 51 51 THR CB C 13 71.6 0.3 . 1 . . . . . . . . 4336 1 535 . 1 1 51 51 THR CG2 C 13 21.1 0.3 . 1 . . . . . . . . 4336 1 536 . 1 1 51 51 THR N N 15 120.4 0.2 . 1 . . . . . . . . 4336 1 537 . 1 1 52 52 LYS H H 1 7.84 0.02 . 1 . . . . . . . . 4336 1 538 . 1 1 52 52 LYS CA C 13 57.6 0.3 . 1 . . . . . . . . 4336 1 539 . 1 1 52 52 LYS N N 15 126.3 0.2 . 1 . . . . . . . . 4336 1 540 . 1 1 53 53 GLY H H 1 9.13 0.02 . 1 . . . . . . . . 4336 1 541 . 1 1 53 53 GLY HA2 H 1 4.11 0.05 . 2 . . . . . . . . 4336 1 542 . 1 1 53 53 GLY HA3 H 1 3.77 0.05 . 2 . . . . . . . . 4336 1 543 . 1 1 53 53 GLY CA C 13 44.8 0.3 . 1 . . . . . . . . 4336 1 544 . 1 1 53 53 GLY N N 15 114.4 0.2 . 1 . . . . . . . . 4336 1 545 . 1 1 54 54 LYS H H 1 8.19 0.02 . 1 . . . . . . . . 4336 1 546 . 1 1 54 54 LYS HA H 1 4.70 0.05 . 1 . . . . . . . . 4336 1 547 . 1 1 54 54 LYS HB2 H 1 1.93 0.05 . 2 . . . . . . . . 4336 1 548 . 1 1 54 54 LYS HB3 H 1 1.87 0.05 . 2 . . . . . . . . 4336 1 549 . 1 1 54 54 LYS HG2 H 1 1.36 0.05 . 1 . . . . . . . . 4336 1 550 . 1 1 54 54 LYS HG3 H 1 1.36 0.05 . 1 . . . . . . . . 4336 1 551 . 1 1 54 54 LYS HD2 H 1 1.64 0.05 . 1 . . . . . . . . 4336 1 552 . 1 1 54 54 LYS HD3 H 1 1.64 0.05 . 1 . . . . . . . . 4336 1 553 . 1 1 54 54 LYS HE2 H 1 2.99 0.05 . 1 . . . . . . . . 4336 1 554 . 1 1 54 54 LYS HE3 H 1 2.99 0.05 . 1 . . . . . . . . 4336 1 555 . 1 1 54 54 LYS CA C 13 54.1 0.3 . 1 . . . . . . . . 4336 1 556 . 1 1 54 54 LYS CB C 13 34.2 0.3 . 1 . . . . . . . . 4336 1 557 . 1 1 54 54 LYS CG C 13 24.4 0.3 . 1 . . . . . . . . 4336 1 558 . 1 1 54 54 LYS CD C 13 28.3 0.3 . 1 . . . . . . . . 4336 1 559 . 1 1 54 54 LYS CE C 13 42.0 0.3 . 1 . . . . . . . . 4336 1 560 . 1 1 54 54 LYS N N 15 119.3 0.2 . 1 . . . . . . . . 4336 1 561 . 1 1 55 55 GLY H H 1 8.95 0.02 . 1 . . . . . . . . 4336 1 562 . 1 1 55 55 GLY HA2 H 1 4.42 0.05 . 2 . . . . . . . . 4336 1 563 . 1 1 55 55 GLY HA3 H 1 3.71 0.05 . 2 . . . . . . . . 4336 1 564 . 1 1 55 55 GLY CA C 13 46.3 0.3 . 1 . . . . . . . . 4336 1 565 . 1 1 55 55 GLY N N 15 114.7 0.2 . 1 . . . . . . . . 4336 1 566 . 1 1 56 56 PHE H H 1 8.80 0.02 . 1 . . . . . . . . 4336 1 567 . 1 1 56 56 PHE HA H 1 5.18 0.05 . 1 . . . . . . . . 4336 1 568 . 1 1 56 56 PHE HB2 H 1 3.24 0.05 . 2 . . . . . . . . 4336 1 569 . 1 1 56 56 PHE HB3 H 1 2.83 0.05 . 2 . . . . . . . . 4336 1 570 . 1 1 56 56 PHE HD1 H 1 7.09 0.05 . 1 . . . . . . . . 4336 1 571 . 1 1 56 56 PHE HD2 H 1 7.09 0.05 . 1 . . . . . . . . 4336 1 572 . 1 1 56 56 PHE HE1 H 1 6.96 0.05 . 1 . . . . . . . . 4336 1 573 . 1 1 56 56 PHE HE2 H 1 6.96 0.05 . 1 . . . . . . . . 4336 1 574 . 1 1 56 56 PHE HZ H 1 6.86 0.05 . 1 . . . . . . . . 4336 1 575 . 1 1 56 56 PHE CA C 13 55.8 0.3 . 1 . . . . . . . . 4336 1 576 . 1 1 56 56 PHE CB C 13 41.2 0.3 . 1 . . . . . . . . 4336 1 577 . 1 1 56 56 PHE CD1 C 13 132.1 0.3 . 1 . . . . . . . . 4336 1 578 . 1 1 56 56 PHE CD2 C 13 132.1 0.3 . 1 . . . . . . . . 4336 1 579 . 1 1 56 56 PHE CE1 C 13 130.9 0.3 . 1 . . . . . . . . 4336 1 580 . 1 1 56 56 PHE CE2 C 13 130.9 0.3 . 1 . . . . . . . . 4336 1 581 . 1 1 56 56 PHE CZ C 13 128.2 0.3 . 1 . . . . . . . . 4336 1 582 . 1 1 56 56 PHE N N 15 118.3 0.2 . 1 . . . . . . . . 4336 1 583 . 1 1 57 57 GLY H H 1 7.09 0.02 . 1 . . . . . . . . 4336 1 584 . 1 1 57 57 GLY HA2 H 1 4.12 0.05 . 2 . . . . . . . . 4336 1 585 . 1 1 57 57 GLY HA3 H 1 3.85 0.05 . 2 . . . . . . . . 4336 1 586 . 1 1 57 57 GLY CA C 13 44.5 0.3 . 1 . . . . . . . . 4336 1 587 . 1 1 57 57 GLY N N 15 110.0 0.2 . 1 . . . . . . . . 4336 1 588 . 1 1 58 58 ALA H H 1 8.66 0.02 . 1 . . . . . . . . 4336 1 589 . 1 1 58 58 ALA HA H 1 5.19 0.05 . 1 . . . . . . . . 4336 1 590 . 1 1 58 58 ALA HB1 H 1 1.33 0.05 . 1 . . . . . . . . 4336 1 591 . 1 1 58 58 ALA HB2 H 1 1.33 0.05 . 1 . . . . . . . . 4336 1 592 . 1 1 58 58 ALA HB3 H 1 1.33 0.05 . 1 . . . . . . . . 4336 1 593 . 1 1 58 58 ALA CA C 13 52.1 0.3 . 1 . . . . . . . . 4336 1 594 . 1 1 58 58 ALA CB C 13 22.0 0.3 . 1 . . . . . . . . 4336 1 595 . 1 1 58 58 ALA N N 15 122.6 0.2 . 1 . . . . . . . . 4336 1 596 . 1 1 59 59 VAL H H 1 8.88 0.02 . 1 . . . . . . . . 4336 1 597 . 1 1 59 59 VAL HA H 1 4.89 0.05 . 1 . . . . . . . . 4336 1 598 . 1 1 59 59 VAL HB H 1 1.91 0.05 . 1 . . . . . . . . 4336 1 599 . 1 1 59 59 VAL HG11 H 1 0.91 0.05 . 1 . . . . . . . . 4336 1 600 . 1 1 59 59 VAL HG12 H 1 0.91 0.05 . 1 . . . . . . . . 4336 1 601 . 1 1 59 59 VAL HG13 H 1 0.91 0.05 . 1 . . . . . . . . 4336 1 602 . 1 1 59 59 VAL CA C 13 59.3 0.3 . 1 . . . . . . . . 4336 1 603 . 1 1 59 59 VAL CB C 13 35.3 0.3 . 1 . . . . . . . . 4336 1 604 . 1 1 59 59 VAL CG1 C 13 21.2 0.3 . 2 . . . . . . . . 4336 1 605 . 1 1 59 59 VAL N N 15 113.6 0.2 . 1 . . . . . . . . 4336 1 606 . 1 1 60 60 GLU H H 1 8.78 0.02 . 1 . . . . . . . . 4336 1 607 . 1 1 60 60 GLU HA H 1 5.29 0.05 . 1 . . . . . . . . 4336 1 608 . 1 1 60 60 GLU HB2 H 1 2.22 0.05 . 2 . . . . . . . . 4336 1 609 . 1 1 60 60 GLU HB3 H 1 2.00 0.05 . 2 . . . . . . . . 4336 1 610 . 1 1 60 60 GLU HG2 H 1 2.28 0.05 . 2 . . . . . . . . 4336 1 611 . 1 1 60 60 GLU HG3 H 1 2.45 0.05 . 2 . . . . . . . . 4336 1 612 . 1 1 60 60 GLU CA C 13 54.4 0.3 . 1 . . . . . . . . 4336 1 613 . 1 1 60 60 GLU CB C 13 32.4 0.3 . 1 . . . . . . . . 4336 1 614 . 1 1 60 60 GLU CG C 13 34.1 0.3 . 1 . . . . . . . . 4336 1 615 . 1 1 60 60 GLU N N 15 123.1 0.2 . 1 . . . . . . . . 4336 1 616 . 1 1 61 61 SER H H 1 9.84 0.02 . 1 . . . . . . . . 4336 1 617 . 1 1 61 61 SER HA H 1 5.57 0.05 . 1 . . . . . . . . 4336 1 618 . 1 1 61 61 SER HB2 H 1 4.26 0.05 . 2 . . . . . . . . 4336 1 619 . 1 1 61 61 SER HB3 H 1 3.38 0.05 . 2 . . . . . . . . 4336 1 620 . 1 1 61 61 SER CA C 13 55.1 0.3 . 1 . . . . . . . . 4336 1 621 . 1 1 61 61 SER CB C 13 67.0 0.3 . 1 . . . . . . . . 4336 1 622 . 1 1 61 61 SER N N 15 124.1 0.2 . 1 . . . . . . . . 4336 1 623 . 1 1 62 62 VAL H H 1 8.91 0.02 . 1 . . . . . . . . 4336 1 624 . 1 1 62 62 VAL HA H 1 4.01 0.05 . 1 . . . . . . . . 4336 1 625 . 1 1 62 62 VAL HB H 1 2.26 0.05 . 1 . . . . . . . . 4336 1 626 . 1 1 62 62 VAL HG11 H 1 1.06 0.05 . 2 . . . . . . . . 4336 1 627 . 1 1 62 62 VAL HG12 H 1 1.06 0.05 . 2 . . . . . . . . 4336 1 628 . 1 1 62 62 VAL HG13 H 1 1.06 0.05 . 2 . . . . . . . . 4336 1 629 . 1 1 62 62 VAL HG21 H 1 1.07 0.05 . 2 . . . . . . . . 4336 1 630 . 1 1 62 62 VAL HG22 H 1 1.07 0.05 . 2 . . . . . . . . 4336 1 631 . 1 1 62 62 VAL HG23 H 1 1.07 0.05 . 2 . . . . . . . . 4336 1 632 . 1 1 62 62 VAL CA C 13 64.5 0.3 . 1 . . . . . . . . 4336 1 633 . 1 1 62 62 VAL CB C 13 31.5 0.3 . 1 . . . . . . . . 4336 1 634 . 1 1 62 62 VAL CG1 C 13 19.7 0.3 . 2 . . . . . . . . 4336 1 635 . 1 1 62 62 VAL CG2 C 13 21.4 0.3 . 2 . . . . . . . . 4336 1 636 . 1 1 62 62 VAL N N 15 114.2 0.2 . 1 . . . . . . . . 4336 1 637 . 1 1 63 63 LYS H H 1 7.90 0.02 . 1 . . . . . . . . 4336 1 638 . 1 1 63 63 LYS HA H 1 4.58 0.05 . 1 . . . . . . . . 4336 1 639 . 1 1 63 63 LYS HB2 H 1 1.94 0.05 . 2 . . . . . . . . 4336 1 640 . 1 1 63 63 LYS HB3 H 1 1.65 0.05 . 2 . . . . . . . . 4336 1 641 . 1 1 63 63 LYS HG2 H 1 1.11 0.05 . 1 . . . . . . . . 4336 1 642 . 1 1 63 63 LYS HG3 H 1 1.11 0.05 . 1 . . . . . . . . 4336 1 643 . 1 1 63 63 LYS HD2 H 1 1.45 0.05 . 1 . . . . . . . . 4336 1 644 . 1 1 63 63 LYS HD3 H 1 1.45 0.05 . 1 . . . . . . . . 4336 1 645 . 1 1 63 63 LYS HE2 H 1 2.92 0.05 . 1 . . . . . . . . 4336 1 646 . 1 1 63 63 LYS HE3 H 1 2.92 0.05 . 1 . . . . . . . . 4336 1 647 . 1 1 63 63 LYS CA C 13 56.4 0.3 . 1 . . . . . . . . 4336 1 648 . 1 1 63 63 LYS CB C 13 34.4 0.3 . 1 . . . . . . . . 4336 1 649 . 1 1 63 63 LYS CG C 13 23.3 0.3 . 1 . . . . . . . . 4336 1 650 . 1 1 63 63 LYS CD C 13 30.3 0.3 . 1 . . . . . . . . 4336 1 651 . 1 1 63 63 LYS CE C 13 40.9 0.3 . 1 . . . . . . . . 4336 1 652 . 1 1 63 63 LYS N N 15 116.8 0.2 . 1 . . . . . . . . 4336 1 653 . 1 1 64 64 ALA H H 1 7.84 0.02 . 1 . . . . . . . . 4336 1 654 . 1 1 64 64 ALA HA H 1 4.65 0.05 . 1 . . . . . . . . 4336 1 655 . 1 1 64 64 ALA HB1 H 1 1.23 0.05 . 1 . . . . . . . . 4336 1 656 . 1 1 64 64 ALA HB2 H 1 1.23 0.05 . 1 . . . . . . . . 4336 1 657 . 1 1 64 64 ALA HB3 H 1 1.23 0.05 . 1 . . . . . . . . 4336 1 658 . 1 1 64 64 ALA CA C 13 52.1 0.3 . 1 . . . . . . . . 4336 1 659 . 1 1 64 64 ALA CB C 13 22.5 0.3 . 1 . . . . . . . . 4336 1 660 . 1 1 64 64 ALA N N 15 122.2 0.2 . 1 . . . . . . . . 4336 1 661 . 1 1 65 65 THR H H 1 8.24 0.02 . 1 . . . . . . . . 4336 1 662 . 1 1 65 65 THR HA H 1 5.18 0.05 . 1 . . . . . . . . 4336 1 663 . 1 1 65 65 THR HB H 1 3.96 0.05 . 1 . . . . . . . . 4336 1 664 . 1 1 65 65 THR HG21 H 1 1.14 0.05 . 1 . . . . . . . . 4336 1 665 . 1 1 65 65 THR HG22 H 1 1.14 0.05 . 1 . . . . . . . . 4336 1 666 . 1 1 65 65 THR HG23 H 1 1.14 0.05 . 1 . . . . . . . . 4336 1 667 . 1 1 65 65 THR CA C 13 61.5 0.3 . 1 . . . . . . . . 4336 1 668 . 1 1 65 65 THR CB C 13 70.7 0.3 . 1 . . . . . . . . 4336 1 669 . 1 1 65 65 THR CG2 C 13 21.1 0.3 . 1 . . . . . . . . 4336 1 670 . 1 1 65 65 THR N N 15 113.9 0.2 . 1 . . . . . . . . 4336 1 671 . 1 1 66 66 SER H H 1 9.02 0.02 . 1 . . . . . . . . 4336 1 672 . 1 1 66 66 SER HA H 1 4.83 0.05 . 1 . . . . . . . . 4336 1 673 . 1 1 66 66 SER HB2 H 1 3.77 0.05 . 2 . . . . . . . . 4336 1 674 . 1 1 66 66 SER HB3 H 1 3.41 0.05 . 2 . . . . . . . . 4336 1 675 . 1 1 66 66 SER CA C 13 57.6 0.3 . 1 . . . . . . . . 4336 1 676 . 1 1 66 66 SER CB C 13 66.3 0.3 . 1 . . . . . . . . 4336 1 677 . 1 1 66 66 SER N N 15 119.9 0.2 . 1 . . . . . . . . 4336 1 678 . 1 1 67 67 ASP H H 1 8.70 0.02 . 1 . . . . . . . . 4336 1 679 . 1 1 67 67 ASP HA H 1 4.90 0.05 . 1 . . . . . . . . 4336 1 680 . 1 1 67 67 ASP HB2 H 1 2.54 0.05 . 2 . . . . . . . . 4336 1 681 . 1 1 67 67 ASP HB3 H 1 2.41 0.05 . 2 . . . . . . . . 4336 1 682 . 1 1 67 67 ASP CA C 13 55.6 0.3 . 1 . . . . . . . . 4336 1 683 . 1 1 67 67 ASP CB C 13 41.2 0.3 . 1 . . . . . . . . 4336 1 684 . 1 1 67 67 ASP N N 15 124.4 0.2 . 1 . . . . . . . . 4336 1 685 . 1 1 68 68 VAL H H 1 7.81 0.02 . 1 . . . . . . . . 4336 1 686 . 1 1 68 68 VAL HA H 1 3.61 0.05 . 1 . . . . . . . . 4336 1 687 . 1 1 68 68 VAL HB H 1 0.80 0.05 . 1 . . . . . . . . 4336 1 688 . 1 1 68 68 VAL HG11 H 1 0.64 0.05 . 1 . . . . . . . . 4336 1 689 . 1 1 68 68 VAL HG12 H 1 0.64 0.05 . 1 . . . . . . . . 4336 1 690 . 1 1 68 68 VAL HG13 H 1 0.64 0.05 . 1 . . . . . . . . 4336 1 691 . 1 1 68 68 VAL HG21 H 1 0.42 0.05 . 1 . . . . . . . . 4336 1 692 . 1 1 68 68 VAL HG22 H 1 0.42 0.05 . 1 . . . . . . . . 4336 1 693 . 1 1 68 68 VAL HG23 H 1 0.42 0.05 . 1 . . . . . . . . 4336 1 694 . 1 1 68 68 VAL CA C 13 62.1 0.3 . 1 . . . . . . . . 4336 1 695 . 1 1 68 68 VAL CB C 13 31.8 0.3 . 1 . . . . . . . . 4336 1 696 . 1 1 68 68 VAL CG1 C 13 24.6 0.3 . 2 . . . . . . . . 4336 1 697 . 1 1 68 68 VAL CG2 C 13 20.9 0.3 . 2 . . . . . . . . 4336 1 698 . 1 1 68 68 VAL N N 15 120.5 0.2 . 1 . . . . . . . . 4336 1 699 . 1 1 69 69 ASN H H 1 8.87 0.02 . 1 . . . . . . . . 4336 1 700 . 1 1 69 69 ASN HA H 1 4.87 0.05 . 1 . . . . . . . . 4336 1 701 . 1 1 69 69 ASN HB2 H 1 2.27 0.05 . 2 . . . . . . . . 4336 1 702 . 1 1 69 69 ASN HB3 H 1 1.77 0.05 . 2 . . . . . . . . 4336 1 703 . 1 1 69 69 ASN HD21 H 1 6.84 0.02 . 2 . . . . . . . . 4336 1 704 . 1 1 69 69 ASN HD22 H 1 6.77 0.02 . 2 . . . . . . . . 4336 1 705 . 1 1 69 69 ASN CA C 13 51.1 0.3 . 1 . . . . . . . . 4336 1 706 . 1 1 69 69 ASN CB C 13 39.8 0.3 . 1 . . . . . . . . 4336 1 707 . 1 1 69 69 ASN N N 15 125.6 0.2 . 1 . . . . . . . . 4336 1 708 . 1 1 69 69 ASN ND2 N 15 109.45 0.2 . 1 . . . . . . . . 4336 1 709 . 1 1 70 70 SER H H 1 8.38 0.02 . 1 . . . . . . . . 4336 1 710 . 1 1 70 70 SER HA H 1 4.65 0.05 . 1 . . . . . . . . 4336 1 711 . 1 1 70 70 SER HB2 H 1 3.99 0.05 . 2 . . . . . . . . 4336 1 712 . 1 1 70 70 SER HB3 H 1 3.76 0.05 . 2 . . . . . . . . 4336 1 713 . 1 1 70 70 SER CA C 13 57.0 0.3 . 1 . . . . . . . . 4336 1 714 . 1 1 70 70 SER CB C 13 64.3 0.3 . 1 . . . . . . . . 4336 1 715 . 1 1 70 70 SER N N 15 116.0 0.2 . 1 . . . . . . . . 4336 1 716 . 1 1 71 71 PRO HA H 1 4.29 0.05 . 1 . . . . . . . . 4336 1 717 . 1 1 71 71 PRO HB2 H 1 2.23 0.05 . 2 . . . . . . . . 4336 1 718 . 1 1 71 71 PRO HB3 H 1 1.58 0.05 . 2 . . . . . . . . 4336 1 719 . 1 1 71 71 PRO HG2 H 1 1.85 0.05 . 2 . . . . . . . . 4336 1 720 . 1 1 71 71 PRO HG3 H 1 1.65 0.05 . 2 . . . . . . . . 4336 1 721 . 1 1 71 71 PRO HD2 H 1 4.23 0.05 . 2 . . . . . . . . 4336 1 722 . 1 1 71 71 PRO HD3 H 1 3.61 0.05 . 2 . . . . . . . . 4336 1 723 . 1 1 71 71 PRO CA C 13 64.4 0.3 . 1 . . . . . . . . 4336 1 724 . 1 1 71 71 PRO CB C 13 33.0 0.3 . 1 . . . . . . . . 4336 1 725 . 1 1 71 71 PRO CG C 13 27.5 0.3 . 1 . . . . . . . . 4336 1 726 . 1 1 71 71 PRO CD C 13 50.9 0.3 . 1 . . . . . . . . 4336 1 727 . 1 1 72 72 ILE H H 1 6.52 0.02 . 1 . . . . . . . . 4336 1 728 . 1 1 72 72 ILE HA H 1 4.38 0.05 . 1 . . . . . . . . 4336 1 729 . 1 1 72 72 ILE HB H 1 2.20 0.05 . 1 . . . . . . . . 4336 1 730 . 1 1 72 72 ILE HG12 H 1 1.05 0.05 . 1 . . . . . . . . 4336 1 731 . 1 1 72 72 ILE HG13 H 1 1.05 0.05 . 1 . . . . . . . . 4336 1 732 . 1 1 72 72 ILE HG21 H 1 0.72 0.05 . 1 . . . . . . . . 4336 1 733 . 1 1 72 72 ILE HG22 H 1 0.72 0.05 . 1 . . . . . . . . 4336 1 734 . 1 1 72 72 ILE HG23 H 1 0.72 0.05 . 1 . . . . . . . . 4336 1 735 . 1 1 72 72 ILE HD11 H 1 0.59 0.05 . 1 . . . . . . . . 4336 1 736 . 1 1 72 72 ILE HD12 H 1 0.59 0.05 . 1 . . . . . . . . 4336 1 737 . 1 1 72 72 ILE HD13 H 1 0.59 0.05 . 1 . . . . . . . . 4336 1 738 . 1 1 72 72 ILE CA C 13 58.6 0.3 . 1 . . . . . . . . 4336 1 739 . 1 1 72 72 ILE CB C 13 42.3 0.3 . 1 . . . . . . . . 4336 1 740 . 1 1 72 72 ILE CG1 C 13 24.8 0.3 . 1 . . . . . . . . 4336 1 741 . 1 1 72 72 ILE CG2 C 13 19.5 0.3 . 1 . . . . . . . . 4336 1 742 . 1 1 72 72 ILE CD1 C 13 13.7 0.3 . 1 . . . . . . . . 4336 1 743 . 1 1 72 72 ILE N N 15 100.1 0.2 . 1 . . . . . . . . 4336 1 744 . 1 1 73 73 SER H H 1 11.04 0.02 . 1 . . . . . . . . 4336 1 745 . 1 1 73 73 SER HA H 1 4.63 0.05 . 1 . . . . . . . . 4336 1 746 . 1 1 73 73 SER HB2 H 1 4.01 0.05 . 1 . . . . . . . . 4336 1 747 . 1 1 73 73 SER HB3 H 1 4.01 0.05 . 1 . . . . . . . . 4336 1 748 . 1 1 73 73 SER CA C 13 57.9 0.3 . 1 . . . . . . . . 4336 1 749 . 1 1 73 73 SER CB C 13 64.5 0.3 . 1 . . . . . . . . 4336 1 750 . 1 1 73 73 SER N N 15 119.9 0.2 . 1 . . . . . . . . 4336 1 751 . 1 1 74 74 GLY H H 1 8.49 0.02 . 1 . . . . . . . . 4336 1 752 . 1 1 74 74 GLY HA2 H 1 4.40 0.05 . 2 . . . . . . . . 4336 1 753 . 1 1 74 74 GLY HA3 H 1 4.30 0.05 . 2 . . . . . . . . 4336 1 754 . 1 1 74 74 GLY CA C 13 46.7 0.3 . 1 . . . . . . . . 4336 1 755 . 1 1 74 74 GLY N N 15 110.8 0.2 . 1 . . . . . . . . 4336 1 756 . 1 1 75 75 GLU H H 1 7.78 0.02 . 1 . . . . . . . . 4336 1 757 . 1 1 75 75 GLU HA H 1 4.87 0.05 . 1 . . . . . . . . 4336 1 758 . 1 1 75 75 GLU HB2 H 1 1.99 0.05 . 2 . . . . . . . . 4336 1 759 . 1 1 75 75 GLU HB3 H 1 1.88 0.05 . 2 . . . . . . . . 4336 1 760 . 1 1 75 75 GLU HG2 H 1 2.10 0.05 . 1 . . . . . . . . 4336 1 761 . 1 1 75 75 GLU HG3 H 1 2.10 0.05 . 1 . . . . . . . . 4336 1 762 . 1 1 75 75 GLU CA C 13 54.4 0.3 . 1 . . . . . . . . 4336 1 763 . 1 1 75 75 GLU CG C 13 35.6 0.3 . 1 . . . . . . . . 4336 1 764 . 1 1 75 75 GLU N N 15 119.3 0.2 . 1 . . . . . . . . 4336 1 765 . 1 1 76 76 VAL H H 1 9.32 0.02 . 1 . . . . . . . . 4336 1 766 . 1 1 76 76 VAL HA H 1 3.90 0.05 . 1 . . . . . . . . 4336 1 767 . 1 1 76 76 VAL HB H 1 2.26 0.05 . 1 . . . . . . . . 4336 1 768 . 1 1 76 76 VAL HG11 H 1 0.79 0.05 . 2 . . . . . . . . 4336 1 769 . 1 1 76 76 VAL HG12 H 1 0.79 0.05 . 2 . . . . . . . . 4336 1 770 . 1 1 76 76 VAL HG13 H 1 0.79 0.05 . 2 . . . . . . . . 4336 1 771 . 1 1 76 76 VAL HG21 H 1 0.71 0.05 . 2 . . . . . . . . 4336 1 772 . 1 1 76 76 VAL HG22 H 1 0.71 0.05 . 2 . . . . . . . . 4336 1 773 . 1 1 76 76 VAL HG23 H 1 0.71 0.05 . 2 . . . . . . . . 4336 1 774 . 1 1 76 76 VAL CA C 13 64.7 0.3 . 1 . . . . . . . . 4336 1 775 . 1 1 76 76 VAL CB C 13 31.6 0.3 . 1 . . . . . . . . 4336 1 776 . 1 1 76 76 VAL CG1 C 13 23.2 0.3 . 2 . . . . . . . . 4336 1 777 . 1 1 76 76 VAL CG2 C 13 22.5 0.3 . 2 . . . . . . . . 4336 1 778 . 1 1 76 76 VAL N N 15 124.6 0.2 . 1 . . . . . . . . 4336 1 779 . 1 1 77 77 ILE H H 1 9.39 0.02 . 1 . . . . . . . . 4336 1 780 . 1 1 77 77 ILE HA H 1 4.57 0.05 . 1 . . . . . . . . 4336 1 781 . 1 1 77 77 ILE HB H 1 1.88 0.05 . 1 . . . . . . . . 4336 1 782 . 1 1 77 77 ILE HG12 H 1 1.40 0.05 . 2 . . . . . . . . 4336 1 783 . 1 1 77 77 ILE HG13 H 1 0.95 0.05 . 2 . . . . . . . . 4336 1 784 . 1 1 77 77 ILE HG21 H 1 0.97 0.05 . 1 . . . . . . . . 4336 1 785 . 1 1 77 77 ILE HG22 H 1 0.97 0.05 . 1 . . . . . . . . 4336 1 786 . 1 1 77 77 ILE HG23 H 1 0.97 0.05 . 1 . . . . . . . . 4336 1 787 . 1 1 77 77 ILE HD11 H 1 0.83 0.05 . 1 . . . . . . . . 4336 1 788 . 1 1 77 77 ILE HD12 H 1 0.83 0.05 . 1 . . . . . . . . 4336 1 789 . 1 1 77 77 ILE HD13 H 1 0.83 0.05 . 1 . . . . . . . . 4336 1 790 . 1 1 77 77 ILE CA C 13 61.7 0.3 . 1 . . . . . . . . 4336 1 791 . 1 1 77 77 ILE CB C 13 39.0 0.3 . 1 . . . . . . . . 4336 1 792 . 1 1 77 77 ILE CG1 C 13 26.4 0.3 . 1 . . . . . . . . 4336 1 793 . 1 1 77 77 ILE CG2 C 13 17.7 0.3 . 1 . . . . . . . . 4336 1 794 . 1 1 77 77 ILE CD1 C 13 13.8 0.3 . 1 . . . . . . . . 4336 1 795 . 1 1 77 77 ILE N N 15 126.7 0.2 . 1 . . . . . . . . 4336 1 796 . 1 1 78 78 GLU H H 1 7.81 0.02 . 1 . . . . . . . . 4336 1 797 . 1 1 78 78 GLU HA H 1 4.69 0.05 . 1 . . . . . . . . 4336 1 798 . 1 1 78 78 GLU HB2 H 1 2.05 0.05 . 2 . . . . . . . . 4336 1 799 . 1 1 78 78 GLU HB3 H 1 1.95 0.05 . 2 . . . . . . . . 4336 1 800 . 1 1 78 78 GLU HG2 H 1 2.43 0.05 . 2 . . . . . . . . 4336 1 801 . 1 1 78 78 GLU HG3 H 1 2.07 0.05 . 2 . . . . . . . . 4336 1 802 . 1 1 78 78 GLU CA C 13 55.8 0.3 . 1 . . . . . . . . 4336 1 803 . 1 1 78 78 GLU CB C 13 34.4 0.3 . 1 . . . . . . . . 4336 1 804 . 1 1 78 78 GLU CG C 13 35.8 0.3 . 1 . . . . . . . . 4336 1 805 . 1 1 78 78 GLU N N 15 119.1 0.2 . 1 . . . . . . . . 4336 1 806 . 1 1 79 79 VAL H H 1 9.07 0.02 . 1 . . . . . . . . 4336 1 807 . 1 1 79 79 VAL HA H 1 4.96 0.05 . 1 . . . . . . . . 4336 1 808 . 1 1 79 79 VAL HB H 1 2.03 0.05 . 1 . . . . . . . . 4336 1 809 . 1 1 79 79 VAL HG11 H 1 0.88 0.05 . 1 . . . . . . . . 4336 1 810 . 1 1 79 79 VAL HG12 H 1 0.88 0.05 . 1 . . . . . . . . 4336 1 811 . 1 1 79 79 VAL HG13 H 1 0.88 0.05 . 1 . . . . . . . . 4336 1 812 . 1 1 79 79 VAL HG21 H 1 0.82 0.05 . 1 . . . . . . . . 4336 1 813 . 1 1 79 79 VAL HG22 H 1 0.82 0.05 . 1 . . . . . . . . 4336 1 814 . 1 1 79 79 VAL HG23 H 1 0.82 0.05 . 1 . . . . . . . . 4336 1 815 . 1 1 79 79 VAL CA C 13 59.6 0.3 . 1 . . . . . . . . 4336 1 816 . 1 1 79 79 VAL CB C 13 34.9 0.3 . 1 . . . . . . . . 4336 1 817 . 1 1 79 79 VAL CG1 C 13 21.5 0.3 . 2 . . . . . . . . 4336 1 818 . 1 1 79 79 VAL CG2 C 13 19.5 0.3 . 2 . . . . . . . . 4336 1 819 . 1 1 79 79 VAL N N 15 119.1 0.2 . 1 . . . . . . . . 4336 1 820 . 1 1 80 80 ASN H H 1 7.64 0.02 . 1 . . . . . . . . 4336 1 821 . 1 1 80 80 ASN HA H 1 4.12 0.05 . 1 . . . . . . . . 4336 1 822 . 1 1 80 80 ASN HB2 H 1 2.43 0.05 . 1 . . . . . . . . 4336 1 823 . 1 1 80 80 ASN HB3 H 1 2.43 0.05 . 1 . . . . . . . . 4336 1 824 . 1 1 80 80 ASN HD21 H 1 5.68 0.02 . 2 . . . . . . . . 4336 1 825 . 1 1 80 80 ASN HD22 H 1 7.47 0.02 . 2 . . . . . . . . 4336 1 826 . 1 1 80 80 ASN CA C 13 51.3 0.3 . 1 . . . . . . . . 4336 1 827 . 1 1 80 80 ASN CB C 13 35.8 0.3 . 1 . . . . . . . . 4336 1 828 . 1 1 80 80 ASN N N 15 121.7 0.2 . 1 . . . . . . . . 4336 1 829 . 1 1 80 80 ASN ND2 N 15 108.8 0.2 . 1 . . . . . . . . 4336 1 830 . 1 1 81 81 THR H H 1 7.95 0.02 . 1 . . . . . . . . 4336 1 831 . 1 1 81 81 THR HA H 1 3.93 0.05 . 1 . . . . . . . . 4336 1 832 . 1 1 81 81 THR HB H 1 4.38 0.05 . 1 . . . . . . . . 4336 1 833 . 1 1 81 81 THR HG21 H 1 1.33 0.05 . 1 . . . . . . . . 4336 1 834 . 1 1 81 81 THR HG22 H 1 1.33 0.05 . 1 . . . . . . . . 4336 1 835 . 1 1 81 81 THR HG23 H 1 1.33 0.05 . 1 . . . . . . . . 4336 1 836 . 1 1 81 81 THR CA C 13 64.2 0.3 . 1 . . . . . . . . 4336 1 837 . 1 1 81 81 THR CB C 13 68.2 0.3 . 1 . . . . . . . . 4336 1 838 . 1 1 81 81 THR CG2 C 13 22.0 0.3 . 1 . . . . . . . . 4336 1 839 . 1 1 81 81 THR N N 15 118.0 0.2 . 1 . . . . . . . . 4336 1 840 . 1 1 82 82 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 4336 1 841 . 1 1 82 82 GLY HA2 H 1 4.01 0.05 . 2 . . . . . . . . 4336 1 842 . 1 1 82 82 GLY HA3 H 1 3.78 0.05 . 2 . . . . . . . . 4336 1 843 . 1 1 82 82 GLY CA C 13 46.1 0.3 . 1 . . . . . . . . 4336 1 844 . 1 1 82 82 GLY N N 15 109.9 0.2 . 1 . . . . . . . . 4336 1 845 . 1 1 83 83 LEU H H 1 7.30 0.02 . 1 . . . . . . . . 4336 1 846 . 1 1 83 83 LEU HA H 1 3.90 0.05 . 1 . . . . . . . . 4336 1 847 . 1 1 83 83 LEU HB2 H 1 1.63 0.05 . 2 . . . . . . . . 4336 1 848 . 1 1 83 83 LEU HB3 H 1 1.40 0.05 . 2 . . . . . . . . 4336 1 849 . 1 1 83 83 LEU HG H 1 1.44 0.05 . 1 . . . . . . . . 4336 1 850 . 1 1 83 83 LEU HD11 H 1 0.93 0.05 . 2 . . . . . . . . 4336 1 851 . 1 1 83 83 LEU HD12 H 1 0.93 0.05 . 2 . . . . . . . . 4336 1 852 . 1 1 83 83 LEU HD13 H 1 0.93 0.05 . 2 . . . . . . . . 4336 1 853 . 1 1 83 83 LEU HD21 H 1 0.78 0.05 . 2 . . . . . . . . 4336 1 854 . 1 1 83 83 LEU HD22 H 1 0.78 0.05 . 2 . . . . . . . . 4336 1 855 . 1 1 83 83 LEU HD23 H 1 0.78 0.05 . 2 . . . . . . . . 4336 1 856 . 1 1 83 83 LEU CA C 13 55.7 0.3 . 1 . . . . . . . . 4336 1 857 . 1 1 83 83 LEU CB C 13 41.8 0.3 . 1 . . . . . . . . 4336 1 858 . 1 1 83 83 LEU CG C 13 26.5 0.3 . 1 . . . . . . . . 4336 1 859 . 1 1 83 83 LEU CD1 C 13 26.3 0.3 . 2 . . . . . . . . 4336 1 860 . 1 1 83 83 LEU CD2 C 13 23.7 0.3 . 2 . . . . . . . . 4336 1 861 . 1 1 83 83 LEU N N 15 118.1 0.2 . 1 . . . . . . . . 4336 1 862 . 1 1 84 84 THR H H 1 7.40 0.02 . 1 . . . . . . . . 4336 1 863 . 1 1 84 84 THR HA H 1 3.98 0.05 . 1 . . . . . . . . 4336 1 864 . 1 1 84 84 THR HB H 1 4.23 0.05 . 1 . . . . . . . . 4336 1 865 . 1 1 84 84 THR HG21 H 1 1.26 0.05 . 1 . . . . . . . . 4336 1 866 . 1 1 84 84 THR HG22 H 1 1.26 0.05 . 1 . . . . . . . . 4336 1 867 . 1 1 84 84 THR HG23 H 1 1.26 0.05 . 1 . . . . . . . . 4336 1 868 . 1 1 84 84 THR CA C 13 65.0 0.3 . 1 . . . . . . . . 4336 1 869 . 1 1 84 84 THR CB C 13 68.3 0.3 . 1 . . . . . . . . 4336 1 870 . 1 1 84 84 THR CG2 C 13 21.3 0.3 . 1 . . . . . . . . 4336 1 871 . 1 1 84 84 THR N N 15 110.8 0.2 . 1 . . . . . . . . 4336 1 872 . 1 1 85 85 GLY H H 1 7.53 0.02 . 1 . . . . . . . . 4336 1 873 . 1 1 85 85 GLY HA2 H 1 4.28 0.05 . 2 . . . . . . . . 4336 1 874 . 1 1 85 85 GLY HA3 H 1 3.78 0.05 . 2 . . . . . . . . 4336 1 875 . 1 1 85 85 GLY CA C 13 45.0 0.3 . 1 . . . . . . . . 4336 1 876 . 1 1 85 85 GLY N N 15 106.5 0.2 . 1 . . . . . . . . 4336 1 877 . 1 1 86 86 LYS H H 1 7.43 0.02 . 1 . . . . . . . . 4336 1 878 . 1 1 86 86 LYS HA H 1 4.72 0.05 . 1 . . . . . . . . 4336 1 879 . 1 1 86 86 LYS HB2 H 1 1.87 0.05 . 1 . . . . . . . . 4336 1 880 . 1 1 86 86 LYS HB3 H 1 1.87 0.05 . 1 . . . . . . . . 4336 1 881 . 1 1 86 86 LYS HG2 H 1 1.34 0.05 . 1 . . . . . . . . 4336 1 882 . 1 1 86 86 LYS HG3 H 1 1.34 0.05 . 1 . . . . . . . . 4336 1 883 . 1 1 86 86 LYS HD2 H 1 1.65 0.05 . 1 . . . . . . . . 4336 1 884 . 1 1 86 86 LYS HD3 H 1 1.65 0.05 . 1 . . . . . . . . 4336 1 885 . 1 1 86 86 LYS HE2 H 1 2.99 0.05 . 1 . . . . . . . . 4336 1 886 . 1 1 86 86 LYS HE3 H 1 2.99 0.05 . 1 . . . . . . . . 4336 1 887 . 1 1 86 86 LYS CA C 13 54.2 0.3 . 1 . . . . . . . . 4336 1 888 . 1 1 86 86 LYS CB C 13 34.0 0.3 . 1 . . . . . . . . 4336 1 889 . 1 1 86 86 LYS CG C 13 25.2 0.3 . 1 . . . . . . . . 4336 1 890 . 1 1 86 86 LYS CD C 13 28.5 0.3 . 1 . . . . . . . . 4336 1 891 . 1 1 86 86 LYS CE C 13 42.0 0.3 . 1 . . . . . . . . 4336 1 892 . 1 1 86 86 LYS N N 15 120.0 0.2 . 1 . . . . . . . . 4336 1 893 . 1 1 87 87 PRO HA H 1 4.27 0.05 . 1 . . . . . . . . 4336 1 894 . 1 1 87 87 PRO HB2 H 1 2.09 0.05 . 2 . . . . . . . . 4336 1 895 . 1 1 87 87 PRO HB3 H 1 1.74 0.05 . 2 . . . . . . . . 4336 1 896 . 1 1 87 87 PRO HG2 H 1 1.94 0.05 . 1 . . . . . . . . 4336 1 897 . 1 1 87 87 PRO HG3 H 1 1.94 0.05 . 1 . . . . . . . . 4336 1 898 . 1 1 87 87 PRO HD2 H 1 3.61 0.05 . 2 . . . . . . . . 4336 1 899 . 1 1 87 87 PRO HD3 H 1 3.26 0.05 . 2 . . . . . . . . 4336 1 900 . 1 1 87 87 PRO CA C 13 65.1 0.3 . 1 . . . . . . . . 4336 1 901 . 1 1 87 87 PRO CB C 13 30.8 0.3 . 1 . . . . . . . . 4336 1 902 . 1 1 87 87 PRO CG C 13 26.8 0.3 . 1 . . . . . . . . 4336 1 903 . 1 1 87 87 PRO CD C 13 49.6 0.3 . 1 . . . . . . . . 4336 1 904 . 1 1 88 88 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 4336 1 905 . 1 1 88 88 GLY HA2 H 1 4.30 0.05 . 2 . . . . . . . . 4336 1 906 . 1 1 88 88 GLY HA3 H 1 3.83 0.05 . 2 . . . . . . . . 4336 1 907 . 1 1 88 88 GLY CA C 13 46.1 0.3 . 1 . . . . . . . . 4336 1 908 . 1 1 88 88 GLY N N 15 102.6 0.2 . 1 . . . . . . . . 4336 1 909 . 1 1 89 89 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 4336 1 910 . 1 1 89 89 LEU HA H 1 4.30 0.05 . 1 . . . . . . . . 4336 1 911 . 1 1 89 89 LEU HB2 H 1 1.68 0.05 . 1 . . . . . . . . 4336 1 912 . 1 1 89 89 LEU HB3 H 1 1.68 0.05 . 1 . . . . . . . . 4336 1 913 . 1 1 89 89 LEU HG H 1 1.89 0.05 . 1 . . . . . . . . 4336 1 914 . 1 1 89 89 LEU HD11 H 1 0.83 0.05 . 1 . . . . . . . . 4336 1 915 . 1 1 89 89 LEU HD12 H 1 0.83 0.05 . 1 . . . . . . . . 4336 1 916 . 1 1 89 89 LEU HD13 H 1 0.83 0.05 . 1 . . . . . . . . 4336 1 917 . 1 1 89 89 LEU HD21 H 1 0.83 0.05 . 1 . . . . . . . . 4336 1 918 . 1 1 89 89 LEU HD22 H 1 0.83 0.05 . 1 . . . . . . . . 4336 1 919 . 1 1 89 89 LEU HD23 H 1 0.83 0.05 . 1 . . . . . . . . 4336 1 920 . 1 1 89 89 LEU CA C 13 57.1 0.3 . 1 . . . . . . . . 4336 1 921 . 1 1 89 89 LEU CB C 13 42.6 0.3 . 1 . . . . . . . . 4336 1 922 . 1 1 89 89 LEU CG C 13 26.5 0.3 . 1 . . . . . . . . 4336 1 923 . 1 1 89 89 LEU CD1 C 13 25.0 0.3 . 2 . . . . . . . . 4336 1 924 . 1 1 89 89 LEU CD2 C 13 22.3 0.3 . 2 . . . . . . . . 4336 1 925 . 1 1 89 89 LEU N N 15 123.2 0.2 . 1 . . . . . . . . 4336 1 926 . 1 1 90 90 ILE H H 1 7.77 0.02 . 1 . . . . . . . . 4336 1 927 . 1 1 90 90 ILE HA H 1 3.47 0.05 . 1 . . . . . . . . 4336 1 928 . 1 1 90 90 ILE HB H 1 1.72 0.05 . 1 . . . . . . . . 4336 1 929 . 1 1 90 90 ILE HG12 H 1 1.41 0.05 . 1 . . . . . . . . 4336 1 930 . 1 1 90 90 ILE HG13 H 1 0.92 0.05 . 1 . . . . . . . . 4336 1 931 . 1 1 90 90 ILE HD11 H 1 0.94 0.05 . 1 . . . . . . . . 4336 1 932 . 1 1 90 90 ILE HD12 H 1 0.94 0.05 . 1 . . . . . . . . 4336 1 933 . 1 1 90 90 ILE HD13 H 1 0.94 0.05 . 1 . . . . . . . . 4336 1 934 . 1 1 90 90 ILE CA C 13 64.9 0.3 . 1 . . . . . . . . 4336 1 935 . 1 1 90 90 ILE CB C 13 37.8 0.3 . 1 . . . . . . . . 4336 1 936 . 1 1 90 90 ILE CG1 C 13 29.7 0.3 . 1 . . . . . . . . 4336 1 937 . 1 1 90 90 ILE CG2 C 13 18.1 0.3 . 1 . . . . . . . . 4336 1 938 . 1 1 90 90 ILE CD1 C 13 14.4 0.3 . 1 . . . . . . . . 4336 1 939 . 1 1 90 90 ILE N N 15 116.3 0.2 . 1 . . . . . . . . 4336 1 940 . 1 1 91 91 ASN H H 1 6.87 0.02 . 1 . . . . . . . . 4336 1 941 . 1 1 91 91 ASN HA H 1 4.40 0.05 . 1 . . . . . . . . 4336 1 942 . 1 1 91 91 ASN HB2 H 1 2.79 0.05 . 2 . . . . . . . . 4336 1 943 . 1 1 91 91 ASN HB3 H 1 2.67 0.05 . 2 . . . . . . . . 4336 1 944 . 1 1 91 91 ASN HD21 H 1 8.49 0.02 . 2 . . . . . . . . 4336 1 945 . 1 1 91 91 ASN HD22 H 1 7.28 0.02 . 2 . . . . . . . . 4336 1 946 . 1 1 91 91 ASN CA C 13 56.1 0.3 . 1 . . . . . . . . 4336 1 947 . 1 1 91 91 ASN CB C 13 40.7 0.3 . 1 . . . . . . . . 4336 1 948 . 1 1 91 91 ASN N N 15 108.6 0.2 . 1 . . . . . . . . 4336 1 949 . 1 1 91 91 ASN ND2 N 15 109.8 0.2 . 1 . . . . . . . . 4336 1 950 . 1 1 92 92 SER H H 1 8.04 0.02 . 1 . . . . . . . . 4336 1 951 . 1 1 92 92 SER HA H 1 4.19 0.05 . 1 . . . . . . . . 4336 1 952 . 1 1 92 92 SER HB2 H 1 3.99 0.05 . 2 . . . . . . . . 4336 1 953 . 1 1 92 92 SER HB3 H 1 3.75 0.05 . 2 . . . . . . . . 4336 1 954 . 1 1 92 92 SER CA C 13 59.6 0.3 . 1 . . . . . . . . 4336 1 955 . 1 1 92 92 SER CB C 13 63.2 0.3 . 1 . . . . . . . . 4336 1 956 . 1 1 92 92 SER N N 15 110.4 0.2 . 1 . . . . . . . . 4336 1 957 . 1 1 93 93 SER H H 1 8.09 0.02 . 1 . . . . . . . . 4336 1 958 . 1 1 93 93 SER HA H 1 4.91 0.05 . 1 . . . . . . . . 4336 1 959 . 1 1 93 93 SER HB2 H 1 3.93 0.05 . 2 . . . . . . . . 4336 1 960 . 1 1 93 93 SER HB3 H 1 3.69 0.05 . 2 . . . . . . . . 4336 1 961 . 1 1 93 93 SER CA C 13 55.7 0.3 . 1 . . . . . . . . 4336 1 962 . 1 1 93 93 SER CB C 13 62.3 0.3 . 1 . . . . . . . . 4336 1 963 . 1 1 93 93 SER N N 15 117.1 0.2 . 1 . . . . . . . . 4336 1 964 . 1 1 94 94 PRO HA H 1 4.34 0.05 . 1 . . . . . . . . 4336 1 965 . 1 1 94 94 PRO HB2 H 1 1.78 0.05 . 1 . . . . . . . . 4336 1 966 . 1 1 94 94 PRO HB3 H 1 1.78 0.05 . 1 . . . . . . . . 4336 1 967 . 1 1 94 94 PRO HG2 H 1 1.93 0.05 . 1 . . . . . . . . 4336 1 968 . 1 1 94 94 PRO HG3 H 1 1.93 0.05 . 1 . . . . . . . . 4336 1 969 . 1 1 94 94 PRO HD2 H 1 3.55 0.05 . 2 . . . . . . . . 4336 1 970 . 1 1 94 94 PRO HD3 H 1 3.40 0.05 . 2 . . . . . . . . 4336 1 971 . 1 1 94 94 PRO CA C 13 65.7 0.3 . 1 . . . . . . . . 4336 1 972 . 1 1 94 94 PRO CB C 13 30.3 0.3 . 1 . . . . . . . . 4336 1 973 . 1 1 94 94 PRO CG C 13 27.1 0.3 . 1 . . . . . . . . 4336 1 974 . 1 1 94 94 PRO CD C 13 50.3 0.3 . 1 . . . . . . . . 4336 1 975 . 1 1 95 95 TYR H H 1 7.98 0.02 . 1 . . . . . . . . 4336 1 976 . 1 1 95 95 TYR HA H 1 4.51 0.05 . 1 . . . . . . . . 4336 1 977 . 1 1 95 95 TYR HB2 H 1 2.67 0.05 . 2 . . . . . . . . 4336 1 978 . 1 1 95 95 TYR HB3 H 1 2.50 0.05 . 2 . . . . . . . . 4336 1 979 . 1 1 95 95 TYR HE1 H 1 6.65 0.05 . 1 . . . . . . . . 4336 1 980 . 1 1 95 95 TYR HE2 H 1 6.65 0.05 . 1 . . . . . . . . 4336 1 981 . 1 1 95 95 TYR CA C 13 57.8 0.3 . 1 . . . . . . . . 4336 1 982 . 1 1 95 95 TYR CB C 13 39.3 0.3 . 1 . . . . . . . . 4336 1 983 . 1 1 95 95 TYR CE1 C 13 116.3 0.3 . 1 . . . . . . . . 4336 1 984 . 1 1 95 95 TYR CE2 C 13 116.3 0.3 . 1 . . . . . . . . 4336 1 985 . 1 1 95 95 TYR N N 15 109.2 0.2 . 1 . . . . . . . . 4336 1 986 . 1 1 96 96 GLU H H 1 7.24 0.02 . 1 . . . . . . . . 4336 1 987 . 1 1 96 96 GLU HA H 1 4.75 0.05 . 1 . . . . . . . . 4336 1 988 . 1 1 96 96 GLU HB2 H 1 1.93 0.05 . 1 . . . . . . . . 4336 1 989 . 1 1 96 96 GLU HB3 H 1 1.93 0.05 . 1 . . . . . . . . 4336 1 990 . 1 1 96 96 GLU HG2 H 1 2.17 0.05 . 2 . . . . . . . . 4336 1 991 . 1 1 96 96 GLU HG3 H 1 2.12 0.05 . 2 . . . . . . . . 4336 1 992 . 1 1 96 96 GLU CA C 13 56.8 0.3 . 1 . . . . . . . . 4336 1 993 . 1 1 96 96 GLU CB C 13 36.0 0.3 . 1 . . . . . . . . 4336 1 994 . 1 1 96 96 GLU CG C 13 35.6 0.3 . 1 . . . . . . . . 4336 1 995 . 1 1 96 96 GLU N N 15 118.3 0.2 . 1 . . . . . . . . 4336 1 996 . 1 1 97 97 ASP H H 1 9.34 0.02 . 1 . . . . . . . . 4336 1 997 . 1 1 97 97 ASP HA H 1 4.85 0.05 . 1 . . . . . . . . 4336 1 998 . 1 1 97 97 ASP HB2 H 1 2.60 0.05 . 2 . . . . . . . . 4336 1 999 . 1 1 97 97 ASP HB3 H 1 2.96 0.05 . 2 . . . . . . . . 4336 1 1000 . 1 1 97 97 ASP CA C 13 56.8 0.3 . 1 . . . . . . . . 4336 1 1001 . 1 1 97 97 ASP CB C 13 41.0 0.3 . 1 . . . . . . . . 4336 1 1002 . 1 1 97 97 ASP N N 15 121.6 0.2 . 1 . . . . . . . . 4336 1 1003 . 1 1 98 98 GLY H H 1 9.09 0.02 . 1 . . . . . . . . 4336 1 1004 . 1 1 98 98 GLY HA2 H 1 3.94 0.05 . 2 . . . . . . . . 4336 1 1005 . 1 1 98 98 GLY HA3 H 1 3.23 0.05 . 2 . . . . . . . . 4336 1 1006 . 1 1 98 98 GLY CA C 13 44.9 0.3 . 1 . . . . . . . . 4336 1 1007 . 1 1 98 98 GLY N N 15 105.9 0.2 . 1 . . . . . . . . 4336 1 1008 . 1 1 99 99 TRP H H 1 7.01 0.02 . 1 . . . . . . . . 4336 1 1009 . 1 1 99 99 TRP HA H 1 4.31 0.05 . 1 . . . . . . . . 4336 1 1010 . 1 1 99 99 TRP HB2 H 1 3.31 0.05 . 2 . . . . . . . . 4336 1 1011 . 1 1 99 99 TRP HB3 H 1 3.49 0.05 . 2 . . . . . . . . 4336 1 1012 . 1 1 99 99 TRP HD1 H 1 8.13 0.05 . 1 . . . . . . . . 4336 1 1013 . 1 1 99 99 TRP HE1 H 1 10.39 0.02 . 1 . . . . . . . . 4336 1 1014 . 1 1 99 99 TRP HE3 H 1 6.52 0.05 . 1 . . . . . . . . 4336 1 1015 . 1 1 99 99 TRP HZ2 H 1 7.74 0.05 . 1 . . . . . . . . 4336 1 1016 . 1 1 99 99 TRP HZ3 H 1 7.17 0.05 . 1 . . . . . . . . 4336 1 1017 . 1 1 99 99 TRP HH2 H 1 6.71 0.05 . 1 . . . . . . . . 4336 1 1018 . 1 1 99 99 TRP CA C 13 57.4 0.3 . 1 . . . . . . . . 4336 1 1019 . 1 1 99 99 TRP CB C 13 27.9 0.3 . 1 . . . . . . . . 4336 1 1020 . 1 1 99 99 TRP CD1 C 13 127.6 0.3 . 4 . . . . . . . . 4336 1 1021 . 1 1 99 99 TRP CE3 C 13 120.1 0.3 . 4 . . . . . . . . 4336 1 1022 . 1 1 99 99 TRP CZ2 C 13 113.2 0.3 . 1 . . . . . . . . 4336 1 1023 . 1 1 99 99 TRP CZ3 C 13 123.4 0.3 . 4 . . . . . . . . 4336 1 1024 . 1 1 99 99 TRP CH2 C 13 122.3 0.3 . 4 . . . . . . . . 4336 1 1025 . 1 1 99 99 TRP N N 15 116.8 0.2 . 1 . . . . . . . . 4336 1 1026 . 1 1 99 99 TRP NE1 N 15 131.6 0.2 . 1 . . . . . . . . 4336 1 1027 . 1 1 100 100 MET H H 1 8.96 0.02 . 1 . . . . . . . . 4336 1 1028 . 1 1 100 100 MET HA H 1 4.45 0.05 . 1 . . . . . . . . 4336 1 1029 . 1 1 100 100 MET HB2 H 1 2.12 0.05 . 2 . . . . . . . . 4336 1 1030 . 1 1 100 100 MET HB3 H 1 1.95 0.05 . 2 . . . . . . . . 4336 1 1031 . 1 1 100 100 MET HG2 H 1 2.96 0.05 . 2 . . . . . . . . 4336 1 1032 . 1 1 100 100 MET HG3 H 1 2.20 0.05 . 2 . . . . . . . . 4336 1 1033 . 1 1 100 100 MET CA C 13 58.4 0.3 . 1 . . . . . . . . 4336 1 1034 . 1 1 100 100 MET CB C 13 35.7 0.3 . 1 . . . . . . . . 4336 1 1035 . 1 1 100 100 MET CG C 13 33.7 0.3 . 1 . . . . . . . . 4336 1 1036 . 1 1 100 100 MET N N 15 114.4 0.2 . 1 . . . . . . . . 4336 1 1037 . 1 1 101 101 ILE H H 1 7.50 0.02 . 1 . . . . . . . . 4336 1 1038 . 1 1 101 101 ILE HA H 1 5.48 0.05 . 1 . . . . . . . . 4336 1 1039 . 1 1 101 101 ILE HB H 1 1.77 0.05 . 1 . . . . . . . . 4336 1 1040 . 1 1 101 101 ILE HG12 H 1 0.97 0.05 . 2 . . . . . . . . 4336 1 1041 . 1 1 101 101 ILE HG13 H 1 0.35 0.05 . 2 . . . . . . . . 4336 1 1042 . 1 1 101 101 ILE HG21 H 1 0.76 0.05 . 1 . . . . . . . . 4336 1 1043 . 1 1 101 101 ILE HG22 H 1 0.76 0.05 . 1 . . . . . . . . 4336 1 1044 . 1 1 101 101 ILE HG23 H 1 0.76 0.05 . 1 . . . . . . . . 4336 1 1045 . 1 1 101 101 ILE HD11 H 1 -0.35 0.05 . 1 . . . . . . . . 4336 1 1046 . 1 1 101 101 ILE HD12 H 1 -0.35 0.05 . 1 . . . . . . . . 4336 1 1047 . 1 1 101 101 ILE HD13 H 1 -0.35 0.05 . 1 . . . . . . . . 4336 1 1048 . 1 1 101 101 ILE CA C 13 59.0 0.3 . 1 . . . . . . . . 4336 1 1049 . 1 1 101 101 ILE CB C 13 43.9 0.3 . 1 . . . . . . . . 4336 1 1050 . 1 1 101 101 ILE CG1 C 13 25.5 0.3 . 1 . . . . . . . . 4336 1 1051 . 1 1 101 101 ILE CG2 C 13 18.6 0.3 . 1 . . . . . . . . 4336 1 1052 . 1 1 101 101 ILE CD1 C 13 12.0 0.3 . 1 . . . . . . . . 4336 1 1053 . 1 1 101 101 ILE N N 15 105.6 0.2 . 1 . . . . . . . . 4336 1 1054 . 1 1 102 102 LYS H H 1 8.91 0.02 . 1 . . . . . . . . 4336 1 1055 . 1 1 102 102 LYS HA H 1 5.49 0.05 . 1 . . . . . . . . 4336 1 1056 . 1 1 102 102 LYS HB2 H 1 1.50 0.05 . 1 . . . . . . . . 4336 1 1057 . 1 1 102 102 LYS HB3 H 1 1.50 0.05 . 1 . . . . . . . . 4336 1 1058 . 1 1 102 102 LYS HG2 H 1 1.07 0.05 . 1 . . . . . . . . 4336 1 1059 . 1 1 102 102 LYS HG3 H 1 1.07 0.05 . 1 . . . . . . . . 4336 1 1060 . 1 1 102 102 LYS HD2 H 1 1.18 0.05 . 2 . . . . . . . . 4336 1 1061 . 1 1 102 102 LYS HD3 H 1 1.01 0.05 . 2 . . . . . . . . 4336 1 1062 . 1 1 102 102 LYS HE2 H 1 1.25 0.05 . 2 . . . . . . . . 4336 1 1063 . 1 1 102 102 LYS HE3 H 1 1.49 0.05 . 2 . . . . . . . . 4336 1 1064 . 1 1 102 102 LYS CA C 13 54.9 0.3 . 1 . . . . . . . . 4336 1 1065 . 1 1 102 102 LYS CB C 13 35.8 0.3 . 1 . . . . . . . . 4336 1 1066 . 1 1 102 102 LYS CG C 13 25.5 0.3 . 1 . . . . . . . . 4336 1 1067 . 1 1 102 102 LYS CD C 13 29.1 0.3 . 1 . . . . . . . . 4336 1 1068 . 1 1 102 102 LYS CE C 13 40.9 0.3 . 1 . . . . . . . . 4336 1 1069 . 1 1 102 102 LYS N N 15 120.1 0.2 . 1 . . . . . . . . 4336 1 1070 . 1 1 103 103 ILE H H 1 9.46 0.02 . 1 . . . . . . . . 4336 1 1071 . 1 1 103 103 ILE HA H 1 5.41 0.05 . 1 . . . . . . . . 4336 1 1072 . 1 1 103 103 ILE HB H 1 1.31 0.05 . 1 . . . . . . . . 4336 1 1073 . 1 1 103 103 ILE HG12 H 1 0.94 0.05 . 2 . . . . . . . . 4336 1 1074 . 1 1 103 103 ILE HG13 H 1 0.74 0.05 . 2 . . . . . . . . 4336 1 1075 . 1 1 103 103 ILE HG21 H 1 0.47 0.05 . 1 . . . . . . . . 4336 1 1076 . 1 1 103 103 ILE HG22 H 1 0.47 0.05 . 1 . . . . . . . . 4336 1 1077 . 1 1 103 103 ILE HG23 H 1 0.47 0.05 . 1 . . . . . . . . 4336 1 1078 . 1 1 103 103 ILE HD11 H 1 0.27 0.05 . 1 . . . . . . . . 4336 1 1079 . 1 1 103 103 ILE HD12 H 1 0.27 0.05 . 1 . . . . . . . . 4336 1 1080 . 1 1 103 103 ILE HD13 H 1 0.27 0.05 . 1 . . . . . . . . 4336 1 1081 . 1 1 103 103 ILE CA C 13 57.6 0.3 . 1 . . . . . . . . 4336 1 1082 . 1 1 103 103 ILE CB C 13 42.4 0.3 . 1 . . . . . . . . 4336 1 1083 . 1 1 103 103 ILE CG1 C 13 26.0 0.3 . 1 . . . . . . . . 4336 1 1084 . 1 1 103 103 ILE CG2 C 13 17.2 0.3 . 1 . . . . . . . . 4336 1 1085 . 1 1 103 103 ILE CD1 C 13 14.2 0.3 . 1 . . . . . . . . 4336 1 1086 . 1 1 103 103 ILE N N 15 115.8 0.2 . 1 . . . . . . . . 4336 1 1087 . 1 1 104 104 LYS H H 1 9.01 0.02 . 1 . . . . . . . . 4336 1 1088 . 1 1 104 104 LYS HA H 1 5.19 0.05 . 1 . . . . . . . . 4336 1 1089 . 1 1 104 104 LYS HB2 H 1 1.87 0.05 . 2 . . . . . . . . 4336 1 1090 . 1 1 104 104 LYS HB3 H 1 1.75 0.05 . 2 . . . . . . . . 4336 1 1091 . 1 1 104 104 LYS HG2 H 1 1.31 0.05 . 1 . . . . . . . . 4336 1 1092 . 1 1 104 104 LYS HG3 H 1 1.31 0.05 . 1 . . . . . . . . 4336 1 1093 . 1 1 104 104 LYS HD2 H 1 1.67 0.05 . 1 . . . . . . . . 4336 1 1094 . 1 1 104 104 LYS HD3 H 1 1.67 0.05 . 1 . . . . . . . . 4336 1 1095 . 1 1 104 104 LYS HE2 H 1 2.93 0.05 . 1 . . . . . . . . 4336 1 1096 . 1 1 104 104 LYS HE3 H 1 2.93 0.05 . 1 . . . . . . . . 4336 1 1097 . 1 1 104 104 LYS CA C 13 52.4 0.3 . 1 . . . . . . . . 4336 1 1098 . 1 1 104 104 LYS CB C 13 33.0 0.3 . 1 . . . . . . . . 4336 1 1099 . 1 1 104 104 LYS CG C 13 24.4 0.3 . 1 . . . . . . . . 4336 1 1100 . 1 1 104 104 LYS CD C 13 29.3 0.3 . 1 . . . . . . . . 4336 1 1101 . 1 1 104 104 LYS CE C 13 41.8 0.3 . 1 . . . . . . . . 4336 1 1102 . 1 1 104 104 LYS N N 15 123.9 0.2 . 1 . . . . . . . . 4336 1 1103 . 1 1 105 105 PRO HA H 1 4.68 0.05 . 1 . . . . . . . . 4336 1 1104 . 1 1 105 105 PRO HB2 H 1 2.20 0.05 . 2 . . . . . . . . 4336 1 1105 . 1 1 105 105 PRO HB3 H 1 1.85 0.05 . 2 . . . . . . . . 4336 1 1106 . 1 1 105 105 PRO HG2 H 1 1.95 0.05 . 1 . . . . . . . . 4336 1 1107 . 1 1 105 105 PRO HG3 H 1 1.95 0.05 . 1 . . . . . . . . 4336 1 1108 . 1 1 105 105 PRO HD2 H 1 4.16 0.05 . 2 . . . . . . . . 4336 1 1109 . 1 1 105 105 PRO HD3 H 1 3.70 0.05 . 2 . . . . . . . . 4336 1 1110 . 1 1 105 105 PRO CA C 13 62.3 0.3 . 1 . . . . . . . . 4336 1 1111 . 1 1 105 105 PRO CB C 13 32.4 0.3 . 1 . . . . . . . . 4336 1 1112 . 1 1 105 105 PRO CG C 13 27.1 0.3 . 1 . . . . . . . . 4336 1 1113 . 1 1 105 105 PRO CD C 13 51.2 0.3 . 1 . . . . . . . . 4336 1 1114 . 1 1 106 106 THR H H 1 7.83 0.02 . 1 . . . . . . . . 4336 1 1115 . 1 1 106 106 THR HA H 1 4.40 0.05 . 1 . . . . . . . . 4336 1 1116 . 1 1 106 106 THR HB H 1 4.26 0.05 . 1 . . . . . . . . 4336 1 1117 . 1 1 106 106 THR HG21 H 1 1.20 0.05 . 1 . . . . . . . . 4336 1 1118 . 1 1 106 106 THR HG22 H 1 1.20 0.05 . 1 . . . . . . . . 4336 1 1119 . 1 1 106 106 THR HG23 H 1 1.20 0.05 . 1 . . . . . . . . 4336 1 1120 . 1 1 106 106 THR CA C 13 62.1 0.3 . 1 . . . . . . . . 4336 1 1121 . 1 1 106 106 THR CB C 13 69.3 0.3 . 1 . . . . . . . . 4336 1 1122 . 1 1 106 106 THR CG2 C 13 22.5 0.3 . 1 . . . . . . . . 4336 1 1123 . 1 1 106 106 THR N N 15 113.2 0.2 . 1 . . . . . . . . 4336 1 1124 . 1 1 107 107 SER H H 1 9.21 0.02 . 1 . . . . . . . . 4336 1 1125 . 1 1 107 107 SER HA H 1 4.91 0.05 . 1 . . . . . . . . 4336 1 1126 . 1 1 107 107 SER HB2 H 1 3.91 0.05 . 2 . . . . . . . . 4336 1 1127 . 1 1 107 107 SER HB3 H 1 3.60 0.05 . 2 . . . . . . . . 4336 1 1128 . 1 1 107 107 SER CA C 13 55.4 0.3 . 1 . . . . . . . . 4336 1 1129 . 1 1 107 107 SER CB C 13 63.7 0.3 . 1 . . . . . . . . 4336 1 1130 . 1 1 107 107 SER N N 15 117.8 0.2 . 1 . . . . . . . . 4336 1 1131 . 1 1 108 108 PRO HA H 1 4.04 0.05 . 1 . . . . . . . . 4336 1 1132 . 1 1 108 108 PRO HB2 H 1 2.15 0.05 . 2 . . . . . . . . 4336 1 1133 . 1 1 108 108 PRO HB3 H 1 2.04 0.05 . 2 . . . . . . . . 4336 1 1134 . 1 1 108 108 PRO HG2 H 1 2.09 0.05 . 2 . . . . . . . . 4336 1 1135 . 1 1 108 108 PRO HG3 H 1 1.90 0.05 . 2 . . . . . . . . 4336 1 1136 . 1 1 108 108 PRO HD2 H 1 3.82 0.05 . 2 . . . . . . . . 4336 1 1137 . 1 1 108 108 PRO HD3 H 1 3.40 0.05 . 2 . . . . . . . . 4336 1 1138 . 1 1 108 108 PRO CA C 13 65.1 0.3 . 1 . . . . . . . . 4336 1 1139 . 1 1 108 108 PRO CB C 13 31.6 0.3 . 1 . . . . . . . . 4336 1 1140 . 1 1 108 108 PRO CG C 13 27.2 0.3 . 1 . . . . . . . . 4336 1 1141 . 1 1 108 108 PRO CD C 13 50.1 0.3 . 1 . . . . . . . . 4336 1 1142 . 1 1 109 109 ASP H H 1 8.82 0.02 . 1 . . . . . . . . 4336 1 1143 . 1 1 109 109 ASP HA H 1 4.40 0.05 . 1 . . . . . . . . 4336 1 1144 . 1 1 109 109 ASP HB2 H 1 2.67 0.05 . 2 . . . . . . . . 4336 1 1145 . 1 1 109 109 ASP HB3 H 1 2.62 0.05 . 2 . . . . . . . . 4336 1 1146 . 1 1 109 109 ASP CA C 13 56.4 0.3 . 1 . . . . . . . . 4336 1 1147 . 1 1 109 109 ASP CB C 13 39.3 0.3 . 1 . . . . . . . . 4336 1 1148 . 1 1 109 109 ASP N N 15 119.7 0.2 . 1 . . . . . . . . 4336 1 1149 . 1 1 110 110 GLU H H 1 8.48 0.02 . 1 . . . . . . . . 4336 1 1150 . 1 1 110 110 GLU HA H 1 4.10 0.05 . 1 . . . . . . . . 4336 1 1151 . 1 1 110 110 GLU HB2 H 1 2.41 0.05 . 1 . . . . . . . . 4336 1 1152 . 1 1 110 110 GLU HB3 H 1 2.41 0.05 . 1 . . . . . . . . 4336 1 1153 . 1 1 110 110 GLU HG2 H 1 2.71 0.05 . 1 . . . . . . . . 4336 1 1154 . 1 1 110 110 GLU HG3 H 1 2.71 0.05 . 1 . . . . . . . . 4336 1 1155 . 1 1 110 110 GLU CA C 13 58.1 0.3 . 1 . . . . . . . . 4336 1 1156 . 1 1 110 110 GLU CG C 13 36.5 0.3 . 1 . . . . . . . . 4336 1 1157 . 1 1 110 110 GLU N N 15 119.8 0.2 . 1 . . . . . . . . 4336 1 1158 . 1 1 111 111 LEU H H 1 7.73 0.02 . 1 . . . . . . . . 4336 1 1159 . 1 1 111 111 LEU HA H 1 3.79 0.05 . 1 . . . . . . . . 4336 1 1160 . 1 1 111 111 LEU HB2 H 1 1.84 0.05 . 2 . . . . . . . . 4336 1 1161 . 1 1 111 111 LEU HB3 H 1 1.55 0.05 . 2 . . . . . . . . 4336 1 1162 . 1 1 111 111 LEU HG H 1 1.55 0.05 . 1 . . . . . . . . 4336 1 1163 . 1 1 111 111 LEU HD11 H 1 0.71 0.05 . 2 . . . . . . . . 4336 1 1164 . 1 1 111 111 LEU HD12 H 1 0.71 0.05 . 2 . . . . . . . . 4336 1 1165 . 1 1 111 111 LEU HD13 H 1 0.71 0.05 . 2 . . . . . . . . 4336 1 1166 . 1 1 111 111 LEU HD21 H 1 0.65 0.05 . 2 . . . . . . . . 4336 1 1167 . 1 1 111 111 LEU HD22 H 1 0.65 0.05 . 2 . . . . . . . . 4336 1 1168 . 1 1 111 111 LEU HD23 H 1 0.65 0.05 . 2 . . . . . . . . 4336 1 1169 . 1 1 111 111 LEU CA C 13 57.6 0.3 . 1 . . . . . . . . 4336 1 1170 . 1 1 111 111 LEU CB C 13 41.9 0.3 . 1 . . . . . . . . 4336 1 1171 . 1 1 111 111 LEU CG C 13 27.4 0.3 . 1 . . . . . . . . 4336 1 1172 . 1 1 111 111 LEU CD1 C 13 24.4 0.3 . 2 . . . . . . . . 4336 1 1173 . 1 1 111 111 LEU CD2 C 13 24.6 0.3 . 2 . . . . . . . . 4336 1 1174 . 1 1 111 111 LEU N N 15 117.1 0.2 . 1 . . . . . . . . 4336 1 1175 . 1 1 112 112 GLU H H 1 7.45 0.02 . 1 . . . . . . . . 4336 1 1176 . 1 1 112 112 GLU HA H 1 4.10 0.05 . 1 . . . . . . . . 4336 1 1177 . 1 1 112 112 GLU HB2 H 1 2.24 0.05 . 2 . . . . . . . . 4336 1 1178 . 1 1 112 112 GLU HB3 H 1 2.06 0.05 . 2 . . . . . . . . 4336 1 1179 . 1 1 112 112 GLU HG2 H 1 2.43 0.05 . 2 . . . . . . . . 4336 1 1180 . 1 1 112 112 GLU HG3 H 1 2.35 0.05 . 2 . . . . . . . . 4336 1 1181 . 1 1 112 112 GLU CA C 13 57.9 0.3 . 1 . . . . . . . . 4336 1 1182 . 1 1 112 112 GLU CB C 13 29.0 0.3 . 1 . . . . . . . . 4336 1 1183 . 1 1 112 112 GLU CG C 13 35.6 0.3 . 1 . . . . . . . . 4336 1 1184 . 1 1 112 112 GLU N N 15 114.8 0.2 . 1 . . . . . . . . 4336 1 1185 . 1 1 113 113 SER H H 1 7.52 0.02 . 1 . . . . . . . . 4336 1 1186 . 1 1 113 113 SER HA H 1 4.55 0.05 . 1 . . . . . . . . 4336 1 1187 . 1 1 113 113 SER HB2 H 1 4.06 0.05 . 2 . . . . . . . . 4336 1 1188 . 1 1 113 113 SER HB3 H 1 3.94 0.05 . 2 . . . . . . . . 4336 1 1189 . 1 1 113 113 SER CA C 13 58.4 0.3 . 1 . . . . . . . . 4336 1 1190 . 1 1 113 113 SER CB C 13 63.8 0.3 . 1 . . . . . . . . 4336 1 1191 . 1 1 113 113 SER N N 15 110.8 0.2 . 1 . . . . . . . . 4336 1 1192 . 1 1 114 114 LEU H H 1 6.97 0.02 . 1 . . . . . . . . 4336 1 1193 . 1 1 114 114 LEU HA H 1 4.56 0.05 . 1 . . . . . . . . 4336 1 1194 . 1 1 114 114 LEU HB2 H 1 1.76 0.05 . 1 . . . . . . . . 4336 1 1195 . 1 1 114 114 LEU HG H 1 1.75 0.05 . 1 . . . . . . . . 4336 1 1196 . 1 1 114 114 LEU HD11 H 1 0.77 0.05 . 2 . . . . . . . . 4336 1 1197 . 1 1 114 114 LEU HD12 H 1 0.77 0.05 . 2 . . . . . . . . 4336 1 1198 . 1 1 114 114 LEU HD13 H 1 0.77 0.05 . 2 . . . . . . . . 4336 1 1199 . 1 1 114 114 LEU HD21 H 1 0.88 0.05 . 2 . . . . . . . . 4336 1 1200 . 1 1 114 114 LEU HD22 H 1 0.88 0.05 . 2 . . . . . . . . 4336 1 1201 . 1 1 114 114 LEU HD23 H 1 0.88 0.05 . 2 . . . . . . . . 4336 1 1202 . 1 1 114 114 LEU CA C 13 53.9 0.3 . 1 . . . . . . . . 4336 1 1203 . 1 1 114 114 LEU CB C 13 43.0 0.3 . 1 . . . . . . . . 4336 1 1204 . 1 1 114 114 LEU CG C 13 27.2 0.3 . 1 . . . . . . . . 4336 1 1205 . 1 1 114 114 LEU CD1 C 13 27.7 0.3 . 2 . . . . . . . . 4336 1 1206 . 1 1 114 114 LEU CD2 C 13 21.7 0.3 . 2 . . . . . . . . 4336 1 1207 . 1 1 114 114 LEU N N 15 121.6 0.2 . 1 . . . . . . . . 4336 1 1208 . 1 1 115 115 LEU H H 1 9.01 0.02 . 1 . . . . . . . . 4336 1 1209 . 1 1 115 115 LEU HA H 1 4.61 0.05 . 1 . . . . . . . . 4336 1 1210 . 1 1 115 115 LEU HB2 H 1 1.99 0.05 . 2 . . . . . . . . 4336 1 1211 . 1 1 115 115 LEU HB3 H 1 1.67 0.05 . 2 . . . . . . . . 4336 1 1212 . 1 1 115 115 LEU HG H 1 1.88 0.05 . 1 . . . . . . . . 4336 1 1213 . 1 1 115 115 LEU HD11 H 1 0.65 0.05 . 2 . . . . . . . . 4336 1 1214 . 1 1 115 115 LEU HD12 H 1 0.65 0.05 . 2 . . . . . . . . 4336 1 1215 . 1 1 115 115 LEU HD13 H 1 0.65 0.05 . 2 . . . . . . . . 4336 1 1216 . 1 1 115 115 LEU HD21 H 1 0.80 0.05 . 2 . . . . . . . . 4336 1 1217 . 1 1 115 115 LEU HD22 H 1 0.80 0.05 . 2 . . . . . . . . 4336 1 1218 . 1 1 115 115 LEU HD23 H 1 0.80 0.05 . 2 . . . . . . . . 4336 1 1219 . 1 1 115 115 LEU CA C 13 55.6 0.3 . 1 . . . . . . . . 4336 1 1220 . 1 1 115 115 LEU CB C 13 43.5 0.3 . 1 . . . . . . . . 4336 1 1221 . 1 1 115 115 LEU CG C 13 27.2 0.3 . 1 . . . . . . . . 4336 1 1222 . 1 1 115 115 LEU CD1 C 13 24.6 0.3 . 2 . . . . . . . . 4336 1 1223 . 1 1 115 115 LEU CD2 C 13 22.8 0.3 . 2 . . . . . . . . 4336 1 1224 . 1 1 115 115 LEU N N 15 120.1 0.2 . 1 . . . . . . . . 4336 1 1225 . 1 1 116 116 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 4336 1 1226 . 1 1 116 116 GLY HA2 H 1 4.79 0.05 . 2 . . . . . . . . 4336 1 1227 . 1 1 116 116 GLY HA3 H 1 4.18 0.05 . 2 . . . . . . . . 4336 1 1228 . 1 1 116 116 GLY CA C 13 43.7 0.3 . 1 . . . . . . . . 4336 1 1229 . 1 1 116 116 GLY N N 15 107.5 0.2 . 1 . . . . . . . . 4336 1 1230 . 1 1 117 117 ALA H H 1 9.05 0.02 . 1 . . . . . . . . 4336 1 1231 . 1 1 117 117 ALA HA H 1 3.95 0.05 . 1 . . . . . . . . 4336 1 1232 . 1 1 117 117 ALA HB1 H 1 1.64 0.05 . 1 . . . . . . . . 4336 1 1233 . 1 1 117 117 ALA HB2 H 1 1.64 0.05 . 1 . . . . . . . . 4336 1 1234 . 1 1 117 117 ALA HB3 H 1 1.64 0.05 . 1 . . . . . . . . 4336 1 1235 . 1 1 117 117 ALA CA C 13 56.2 0.3 . 1 . . . . . . . . 4336 1 1236 . 1 1 117 117 ALA CB C 13 19.0 0.3 . 1 . . . . . . . . 4336 1 1237 . 1 1 117 117 ALA N N 15 121.6 0.2 . 1 . . . . . . . . 4336 1 1238 . 1 1 118 118 LYS H H 1 8.90 0.02 . 1 . . . . . . . . 4336 1 1239 . 1 1 118 118 LYS HA H 1 4.07 0.05 . 1 . . . . . . . . 4336 1 1240 . 1 1 118 118 LYS HB2 H 1 1.93 0.05 . 2 . . . . . . . . 4336 1 1241 . 1 1 118 118 LYS HB3 H 1 1.82 0.05 . 2 . . . . . . . . 4336 1 1242 . 1 1 118 118 LYS HG2 H 1 1.60 0.05 . 2 . . . . . . . . 4336 1 1243 . 1 1 118 118 LYS HG3 H 1 1.47 0.05 . 2 . . . . . . . . 4336 1 1244 . 1 1 118 118 LYS HD2 H 1 1.73 0.05 . 1 . . . . . . . . 4336 1 1245 . 1 1 118 118 LYS HD3 H 1 1.73 0.05 . 1 . . . . . . . . 4336 1 1246 . 1 1 118 118 LYS CA C 13 59.9 0.3 . 1 . . . . . . . . 4336 1 1247 . 1 1 118 118 LYS CB C 13 32.0 0.3 . 1 . . . . . . . . 4336 1 1248 . 1 1 118 118 LYS CG C 13 25.0 0.3 . 1 . . . . . . . . 4336 1 1249 . 1 1 118 118 LYS CD C 13 28.8 0.3 . 1 . . . . . . . . 4336 1 1250 . 1 1 118 118 LYS N N 15 118.6 0.2 . 1 . . . . . . . . 4336 1 1251 . 1 1 119 119 GLU H H 1 8.41 0.02 . 1 . . . . . . . . 4336 1 1252 . 1 1 119 119 GLU HA H 1 4.07 0.05 . 1 . . . . . . . . 4336 1 1253 . 1 1 119 119 GLU HB2 H 1 2.37 0.05 . 2 . . . . . . . . 4336 1 1254 . 1 1 119 119 GLU HB3 H 1 2.08 0.05 . 2 . . . . . . . . 4336 1 1255 . 1 1 119 119 GLU HG2 H 1 2.64 0.05 . 2 . . . . . . . . 4336 1 1256 . 1 1 119 119 GLU HG3 H 1 2.37 0.05 . 2 . . . . . . . . 4336 1 1257 . 1 1 119 119 GLU CA C 13 60.0 0.3 . 1 . . . . . . . . 4336 1 1258 . 1 1 119 119 GLU CB C 13 29.5 0.3 . 1 . . . . . . . . 4336 1 1259 . 1 1 119 119 GLU CG C 13 37.2 0.3 . 1 . . . . . . . . 4336 1 1260 . 1 1 119 119 GLU N N 15 119.7 0.2 . 1 . . . . . . . . 4336 1 1261 . 1 1 120 120 TYR H H 1 9.39 0.02 . 1 . . . . . . . . 4336 1 1262 . 1 1 120 120 TYR HA H 1 4.26 0.05 . 1 . . . . . . . . 4336 1 1263 . 1 1 120 120 TYR HB2 H 1 2.74 0.05 . 2 . . . . . . . . 4336 1 1264 . 1 1 120 120 TYR HB3 H 1 2.39 0.05 . 2 . . . . . . . . 4336 1 1265 . 1 1 120 120 TYR HD1 H 1 6.17 0.05 . 1 . . . . . . . . 4336 1 1266 . 1 1 120 120 TYR HD2 H 1 6.17 0.05 . 1 . . . . . . . . 4336 1 1267 . 1 1 120 120 TYR HE1 H 1 6.66 0.05 . 1 . . . . . . . . 4336 1 1268 . 1 1 120 120 TYR HE2 H 1 6.66 0.05 . 1 . . . . . . . . 4336 1 1269 . 1 1 120 120 TYR CA C 13 61.8 0.3 . 1 . . . . . . . . 4336 1 1270 . 1 1 120 120 TYR CB C 13 38.7 0.3 . 1 . . . . . . . . 4336 1 1271 . 1 1 120 120 TYR CD1 C 13 132.6 0.3 . 1 . . . . . . . . 4336 1 1272 . 1 1 120 120 TYR CD2 C 13 132.6 0.3 . 1 . . . . . . . . 4336 1 1273 . 1 1 120 120 TYR CE1 C 13 116.3 0.3 . 1 . . . . . . . . 4336 1 1274 . 1 1 120 120 TYR CE2 C 13 116.3 0.3 . 1 . . . . . . . . 4336 1 1275 . 1 1 120 120 TYR N N 15 123.0 0.2 . 1 . . . . . . . . 4336 1 1276 . 1 1 121 121 THR H H 1 8.49 0.02 . 1 . . . . . . . . 4336 1 1277 . 1 1 121 121 THR HA H 1 3.55 0.05 . 1 . . . . . . . . 4336 1 1278 . 1 1 121 121 THR HB H 1 4.32 0.05 . 1 . . . . . . . . 4336 1 1279 . 1 1 121 121 THR HG21 H 1 1.23 0.05 . 1 . . . . . . . . 4336 1 1280 . 1 1 121 121 THR HG22 H 1 1.23 0.05 . 1 . . . . . . . . 4336 1 1281 . 1 1 121 121 THR HG23 H 1 1.23 0.05 . 1 . . . . . . . . 4336 1 1282 . 1 1 121 121 THR CA C 13 67.9 0.3 . 1 . . . . . . . . 4336 1 1283 . 1 1 121 121 THR CB C 13 68.4 0.3 . 1 . . . . . . . . 4336 1 1284 . 1 1 121 121 THR CG2 C 13 21.1 0.3 . 1 . . . . . . . . 4336 1 1285 . 1 1 121 121 THR N N 15 117.9 0.2 . 1 . . . . . . . . 4336 1 1286 . 1 1 122 122 LYS H H 1 7.30 0.02 . 1 . . . . . . . . 4336 1 1287 . 1 1 122 122 LYS HA H 1 4.07 0.05 . 1 . . . . . . . . 4336 1 1288 . 1 1 122 122 LYS HB2 H 1 1.92 0.05 . 1 . . . . . . . . 4336 1 1289 . 1 1 122 122 LYS HB3 H 1 1.92 0.05 . 1 . . . . . . . . 4336 1 1290 . 1 1 122 122 LYS HG2 H 1 1.51 0.05 . 1 . . . . . . . . 4336 1 1291 . 1 1 122 122 LYS HG3 H 1 1.51 0.05 . 1 . . . . . . . . 4336 1 1292 . 1 1 122 122 LYS HD2 H 1 1.73 0.05 . 1 . . . . . . . . 4336 1 1293 . 1 1 122 122 LYS HD3 H 1 1.73 0.05 . 1 . . . . . . . . 4336 1 1294 . 1 1 122 122 LYS HE2 H 1 2.99 0.05 . 1 . . . . . . . . 4336 1 1295 . 1 1 122 122 LYS HE3 H 1 2.99 0.05 . 1 . . . . . . . . 4336 1 1296 . 1 1 122 122 LYS CA C 13 58.8 0.3 . 1 . . . . . . . . 4336 1 1297 . 1 1 122 122 LYS CB C 13 32.0 0.3 . 1 . . . . . . . . 4336 1 1298 . 1 1 122 122 LYS CG C 13 24.3 0.3 . 1 . . . . . . . . 4336 1 1299 . 1 1 122 122 LYS CD C 13 28.8 0.3 . 1 . . . . . . . . 4336 1 1300 . 1 1 122 122 LYS CE C 13 42.0 0.3 . 1 . . . . . . . . 4336 1 1301 . 1 1 122 122 LYS N N 15 120.7 0.2 . 1 . . . . . . . . 4336 1 1302 . 1 1 123 123 PHE H H 1 8.22 0.02 . 1 . . . . . . . . 4336 1 1303 . 1 1 123 123 PHE HA H 1 4.14 0.05 . 1 . . . . . . . . 4336 1 1304 . 1 1 123 123 PHE HB2 H 1 3.19 0.05 . 1 . . . . . . . . 4336 1 1305 . 1 1 123 123 PHE HB3 H 1 3.19 0.05 . 1 . . . . . . . . 4336 1 1306 . 1 1 123 123 PHE HD1 H 1 7.06 0.05 . 1 . . . . . . . . 4336 1 1307 . 1 1 123 123 PHE HD2 H 1 7.06 0.05 . 1 . . . . . . . . 4336 1 1308 . 1 1 123 123 PHE HE1 H 1 7.38 0.05 . 1 . . . . . . . . 4336 1 1309 . 1 1 123 123 PHE HE2 H 1 7.38 0.05 . 1 . . . . . . . . 4336 1 1310 . 1 1 123 123 PHE HZ H 1 7.06 0.05 . 1 . . . . . . . . 4336 1 1311 . 1 1 123 123 PHE CA C 13 61.4 0.3 . 1 . . . . . . . . 4336 1 1312 . 1 1 123 123 PHE CB C 13 39.4 0.3 . 1 . . . . . . . . 4336 1 1313 . 1 1 123 123 PHE CD1 C 13 131.8 0.3 . 1 . . . . . . . . 4336 1 1314 . 1 1 123 123 PHE CD2 C 13 131.8 0.3 . 1 . . . . . . . . 4336 1 1315 . 1 1 123 123 PHE CE1 C 13 130.6 0.3 . 1 . . . . . . . . 4336 1 1316 . 1 1 123 123 PHE CE2 C 13 130.6 0.3 . 1 . . . . . . . . 4336 1 1317 . 1 1 123 123 PHE CZ C 13 129.5 0.3 . 1 . . . . . . . . 4336 1 1318 . 1 1 123 123 PHE N N 15 120.6 0.2 . 1 . . . . . . . . 4336 1 1319 . 1 1 124 124 CYS H H 1 8.15 0.02 . 1 . . . . . . . . 4336 1 1320 . 1 1 124 124 CYS HA H 1 3.63 0.05 . 1 . . . . . . . . 4336 1 1321 . 1 1 124 124 CYS HB2 H 1 2.76 0.05 . 2 . . . . . . . . 4336 1 1322 . 1 1 124 124 CYS HB3 H 1 2.02 0.05 . 2 . . . . . . . . 4336 1 1323 . 1 1 124 124 CYS CA C 13 64.7 0.3 . 1 . . . . . . . . 4336 1 1324 . 1 1 124 124 CYS CB C 13 27.0 0.3 . 1 . . . . . . . . 4336 1 1325 . 1 1 124 124 CYS N N 15 116.7 0.2 . 1 . . . . . . . . 4336 1 1326 . 1 1 125 125 GLU H H 1 7.65 0.02 . 1 . . . . . . . . 4336 1 1327 . 1 1 125 125 GLU HA H 1 3.96 0.05 . 1 . . . . . . . . 4336 1 1328 . 1 1 125 125 GLU HB2 H 1 2.22 0.05 . 2 . . . . . . . . 4336 1 1329 . 1 1 125 125 GLU HB3 H 1 1.91 0.05 . 2 . . . . . . . . 4336 1 1330 . 1 1 125 125 GLU CA C 13 59.1 0.3 . 1 . . . . . . . . 4336 1 1331 . 1 1 125 125 GLU CB C 13 29.0 0.3 . 1 . . . . . . . . 4336 1 1332 . 1 1 125 125 GLU N N 15 119.0 0.2 . 1 . . . . . . . . 4336 1 1333 . 1 1 126 126 GLU H H 1 8.03 0.02 . 1 . . . . . . . . 4336 1 1334 . 1 1 126 126 GLU HA H 1 3.97 0.05 . 1 . . . . . . . . 4336 1 1335 . 1 1 126 126 GLU HB2 H 1 1.99 0.05 . 1 . . . . . . . . 4336 1 1336 . 1 1 126 126 GLU HB3 H 1 1.99 0.05 . 1 . . . . . . . . 4336 1 1337 . 1 1 126 126 GLU HG2 H 1 2.43 0.05 . 2 . . . . . . . . 4336 1 1338 . 1 1 126 126 GLU HG3 H 1 2.20 0.05 . 2 . . . . . . . . 4336 1 1339 . 1 1 126 126 GLU CA C 13 58.9 0.3 . 1 . . . . . . . . 4336 1 1340 . 1 1 126 126 GLU CB C 13 29.0 0.3 . 5 . . . . . . . . 4336 1 1341 . 1 1 126 126 GLU CG C 13 36.2 0.3 . 1 . . . . . . . . 4336 1 1342 . 1 1 126 126 GLU N N 15 119.2 0.2 . 1 . . . . . . . . 4336 1 1343 . 1 1 127 127 GLU H H 1 8.08 0.02 . 1 . . . . . . . . 4336 1 1344 . 1 1 127 127 GLU HA H 1 3.86 0.05 . 1 . . . . . . . . 4336 1 1345 . 1 1 127 127 GLU HB2 H 1 1.90 0.05 . 2 . . . . . . . . 4336 1 1346 . 1 1 127 127 GLU HB3 H 1 1.72 0.05 . 2 . . . . . . . . 4336 1 1347 . 1 1 127 127 GLU HG2 H 1 2.01 0.05 . 1 . . . . . . . . 4336 1 1348 . 1 1 127 127 GLU HG3 H 1 2.01 0.05 . 1 . . . . . . . . 4336 1 1349 . 1 1 127 127 GLU CA C 13 59.3 0.3 . 1 . . . . . . . . 4336 1 1350 . 1 1 127 127 GLU CB C 13 29.7 0.3 . 1 . . . . . . . . 4336 1 1351 . 1 1 127 127 GLU CG C 13 37.2 0.3 . 1 . . . . . . . . 4336 1 1352 . 1 1 127 127 GLU N N 15 121.2 0.2 . 1 . . . . . . . . 4336 1 1353 . 1 1 128 128 ASP H H 1 8.04 0.02 . 1 . . . . . . . . 4336 1 1354 . 1 1 128 128 ASP HA H 1 4.50 0.05 . 1 . . . . . . . . 4336 1 1355 . 1 1 128 128 ASP HB2 H 1 2.82 0.05 . 1 . . . . . . . . 4336 1 1356 . 1 1 128 128 ASP HB3 H 1 2.82 0.05 . 1 . . . . . . . . 4336 1 1357 . 1 1 128 128 ASP CA C 13 55.4 0.3 . 1 . . . . . . . . 4336 1 1358 . 1 1 128 128 ASP CB C 13 39.3 0.3 . 1 . . . . . . . . 4336 1 1359 . 1 1 128 128 ASP N N 15 117.4 0.2 . 1 . . . . . . . . 4336 1 1360 . 1 1 129 129 ALA H H 1 7.51 0.02 . 1 . . . . . . . . 4336 1 1361 . 1 1 129 129 ALA HA H 1 4.28 0.05 . 1 . . . . . . . . 4336 1 1362 . 1 1 129 129 ALA HB1 H 1 1.41 0.05 . 1 . . . . . . . . 4336 1 1363 . 1 1 129 129 ALA HB2 H 1 1.41 0.05 . 1 . . . . . . . . 4336 1 1364 . 1 1 129 129 ALA HB3 H 1 1.41 0.05 . 1 . . . . . . . . 4336 1 1365 . 1 1 129 129 ALA CA C 13 52.8 0.3 . 1 . . . . . . . . 4336 1 1366 . 1 1 129 129 ALA CB C 13 18.5 0.3 . 1 . . . . . . . . 4336 1 1367 . 1 1 129 129 ALA N N 15 121.3 0.2 . 1 . . . . . . . . 4336 1 1368 . 1 1 130 130 ALA H H 1 7.59 0.02 . 1 . . . . . . . . 4336 1 1369 . 1 1 130 130 ALA HA H 1 4.26 0.05 . 1 . . . . . . . . 4336 1 1370 . 1 1 130 130 ALA HB1 H 1 1.39 0.05 . 1 . . . . . . . . 4336 1 1371 . 1 1 130 130 ALA HB2 H 1 1.39 0.05 . 1 . . . . . . . . 4336 1 1372 . 1 1 130 130 ALA HB3 H 1 1.39 0.05 . 1 . . . . . . . . 4336 1 1373 . 1 1 130 130 ALA CA C 13 52.5 0.3 . 1 . . . . . . . . 4336 1 1374 . 1 1 130 130 ALA CB C 13 18.5 0.3 . 1 . . . . . . . . 4336 1 1375 . 1 1 130 130 ALA N N 15 121.6 0.2 . 1 . . . . . . . . 4336 1 1376 . 1 1 131 131 HIS H H 1 7.84 0.02 . 1 . . . . . . . . 4336 1 1377 . 1 1 131 131 HIS HA H 1 4.48 0.05 . 1 . . . . . . . . 4336 1 1378 . 1 1 131 131 HIS HB2 H 1 3.30 0.05 . 2 . . . . . . . . 4336 1 1379 . 1 1 131 131 HIS HB3 H 1 3.13 0.05 . 2 . . . . . . . . 4336 1 1380 . 1 1 131 131 HIS CA C 13 56.6 0.3 . 1 . . . . . . . . 4336 1 1381 . 1 1 131 131 HIS CB C 13 29.7 0.3 . 1 . . . . . . . . 4336 1 1382 . 1 1 131 131 HIS N N 15 122.0 0.2 . 1 . . . . . . . . 4336 1 stop_ save_