data_4161 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4161 _Entry.Title ; 1H, 13C and 15N Assignment of the DNA Binding Domain of Interferon Regulatory Factor-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-07-14 _Entry.Accession_date 1998-07-14 _Entry.Last_release_date 2000-03-21 _Entry.Original_release_date 2000-03-21 _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 Junichi Furui . . . 4161 2 Koichi Uegaki . . . 4161 3 Toshio Yamazaki . . . 4161 4 Masahiro Shirakawa . . . 4161 5 Hisashi Harada . . . 4161 6 Tadatugu Taniguchi . . . 4161 7 Yashimasa Kyogoku . . . 4161 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4161 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 432 4161 '15N chemical shifts' 118 4161 '1H chemical shifts' 726 4161 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-03-21 1998-07-14 original author . 4161 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4161 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98230747 _Citation.DOI . _Citation.PubMed_ID 9562558 _Citation.Full_citation . _Citation.Title ; Solution structure of the IRF-2 DNA-binding domain: a novel subgroup of the winged helix-turn-helix family ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full Structure _Citation.Journal_volume 6 _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 491 _Citation.Page_last 500 _Citation.Year 1998 _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 Junichi Furui . . . 4161 1 2 Koichi Uegaki . . . 4161 1 3 Toshio Yamazaki . . . 4161 1 4 Masahiro Shirakawa . . . 4161 1 5 Hisashi Harada . . . 4161 1 6 Tadatugu Taniguchi . . . 4161 1 7 Yashimasa Kyogoku . . . 4161 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4161 _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., Sykes, B. D., "1H, 13C and 15N Chemical Shift Referencing in Biomolecular NMR," 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. . 4161 2 2 'C G' Bigam C. G. . 4161 2 3 J Yao J. . . 4161 2 4 F Abildgaard F. . . 4161 2 5 'H J' Dyson H. J. . 4161 2 6 E Oldfield E. . . 4161 2 7 'J L' Markley J. L. . 4161 2 8 'B D' Sykes B. D. . 4161 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_IRF-2(113) _Assembly.Sf_category assembly _Assembly.Sf_framecode system_IRF-2(113) _Assembly.Entry_ID 4161 _Assembly.ID 1 _Assembly.Name 'IRF-2 DNA binding domain' _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 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 4161 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 IRF-2(113) 1 $IRF-2(113) . . . native . . . . . 4161 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID IRF-2(113) abbreviation 4161 1 'IRF-2 DNA binding domain' system 4161 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IRF-2(113) _Entity.Sf_category entity _Entity.Sf_framecode IRF-2(113) _Entity.Entry_ID 4161 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'IRF-2 DNA binding domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PVERMRMRPWLEEQINSNTI PGLKWLNKEKKIFQIPWMHA ARHGWDVEKDAPLFRNWAIH TGKHQPGIDKPDPKTWKANF RCAMNSLPDIEEVKDRSIKK GNNAFRVYRMLPA ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 PDB 1IRF . "Interferon Regulatory Factor-2 Dna Binding Domain, Nmr, Minimized Average Structure" . . . . . 99.12 112 100.00 100.00 4.67e-76 . . . . 4161 1 2 no PDB 1IRG . "Interferon Regulatory Factor-2 Dna Binding Domain, Nmr, 20 Structures" . . . . . 99.12 112 100.00 100.00 4.67e-76 . . . . 4161 1 3 no PDB 2IRF . "Crystal Structure Of An Irf-2DNA COMPLEX" . . . . . 99.12 113 100.00 100.00 4.41e-76 . . . . 4161 1 4 no DBJ BAE32998 . "unnamed protein product [Mus musculus]" . . . . . 99.12 349 100.00 100.00 8.29e-77 . . . . 4161 1 5 no DBJ BAE34593 . "unnamed protein product [Mus musculus]" . . . . . 74.34 143 100.00 100.00 4.10e-56 . . . . 4161 1 6 no DBJ BAG35793 . "unnamed protein product [Homo sapiens]" . . . . . 99.12 349 98.21 100.00 1.84e-76 . . . . 4161 1 7 no DBJ BAG73302 . "interferon regulatory factor 2 [synthetic construct]" . . . . . 99.12 349 98.21 100.00 1.84e-76 . . . . 4161 1 8 no EMBL CAA34073 . "unnamed protein product [Homo sapiens]" . . . . . 99.12 349 97.32 99.11 4.48e-75 . . . . 4161 1 9 no EMBL CAD35751 . "interferon responsive factor 2 [Bos taurus]" . . . . . 63.72 258 98.61 100.00 3.50e-45 . . . . 4161 1 10 no EMBL CAG33358 . "IRF2 [Homo sapiens]" . . . . . 99.12 349 98.21 100.00 1.84e-76 . . . . 4161 1 11 no EMBL CAH91897 . "hypothetical protein [Pongo abelii]" . . . . . 99.12 349 98.21 100.00 1.97e-76 . . . . 4161 1 12 no GB AAA39333 . "interferon regulatory factor-2 [Mus musculus]" . . . . . 99.12 349 100.00 100.00 8.29e-77 . . . . 4161 1 13 no GB AAF34781 . "interferon regulatory factor 2 [Ovis aries]" . . . . . 99.12 349 97.32 99.11 1.10e-74 . . . . 4161 1 14 no GB AAH06577 . "Interferon regulatory factor 2 [Mus musculus]" . . . . . 99.12 349 100.00 100.00 7.68e-77 . . . . 4161 1 15 no GB AAH15803 . "Interferon regulatory factor 2 [Homo sapiens]" . . . . . 99.12 349 98.21 100.00 1.84e-76 . . . . 4161 1 16 no GB AAI10667 . "Interferon regulatory factor 2 [Mus musculus]" . . . . . 99.12 349 99.11 100.00 1.31e-76 . . . . 4161 1 17 no REF NP_001009740 . "interferon regulatory factor 2 [Ovis aries]" . . . . . 99.12 349 97.32 99.11 1.10e-74 . . . . 4161 1 18 no REF NP_001040551 . "interferon regulatory factor 2 [Rattus norvegicus]" . . . . . 99.12 349 99.11 100.00 1.59e-76 . . . . 4161 1 19 no REF NP_001127478 . "interferon regulatory factor 2 [Pongo abelii]" . . . . . 99.12 349 98.21 100.00 1.97e-76 . . . . 4161 1 20 no REF NP_001129265 . "interferon regulatory factor 2 [Macaca mulatta]" . . . . . 99.12 349 98.21 100.00 1.81e-76 . . . . 4161 1 21 no REF NP_001192722 . "interferon regulatory factor 2 [Bos taurus]" . . . . . 99.12 349 97.32 99.11 8.47e-75 . . . . 4161 1 22 no SP P14316 . "RecName: Full=Interferon regulatory factor 2; Short=IRF-2" . . . . . 99.12 349 98.21 100.00 1.84e-76 . . . . 4161 1 23 no SP P23906 . "RecName: Full=Interferon regulatory factor 2; Short=IRF-2" . . . . . 99.12 349 100.00 100.00 8.29e-77 . . . . 4161 1 24 no SP Q8R4E0 . "RecName: Full=Interferon regulatory factor 2; Short=IRF-2" . . . . . 99.12 349 100.00 100.00 6.67e-77 . . . . 4161 1 25 no TPG DAA14554 . "TPA: interferon regulatory factor 2 [Bos taurus]" . . . . . 99.12 349 97.32 99.11 8.47e-75 . . . . 4161 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID IRF-2(113) abbreviation 4161 1 'IRF-2 DNA binding domain' common 4161 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 . PRO . 4161 1 2 . VAL . 4161 1 3 . GLU . 4161 1 4 . ARG . 4161 1 5 . MET . 4161 1 6 . ARG . 4161 1 7 . MET . 4161 1 8 . ARG . 4161 1 9 . PRO . 4161 1 10 . TRP . 4161 1 11 . LEU . 4161 1 12 . GLU . 4161 1 13 . GLU . 4161 1 14 . GLN . 4161 1 15 . ILE . 4161 1 16 . ASN . 4161 1 17 . SER . 4161 1 18 . ASN . 4161 1 19 . THR . 4161 1 20 . ILE . 4161 1 21 . PRO . 4161 1 22 . GLY . 4161 1 23 . LEU . 4161 1 24 . LYS . 4161 1 25 . TRP . 4161 1 26 . LEU . 4161 1 27 . ASN . 4161 1 28 . LYS . 4161 1 29 . GLU . 4161 1 30 . LYS . 4161 1 31 . LYS . 4161 1 32 . ILE . 4161 1 33 . PHE . 4161 1 34 . GLN . 4161 1 35 . ILE . 4161 1 36 . PRO . 4161 1 37 . TRP . 4161 1 38 . MET . 4161 1 39 . HIS . 4161 1 40 . ALA . 4161 1 41 . ALA . 4161 1 42 . ARG . 4161 1 43 . HIS . 4161 1 44 . GLY . 4161 1 45 . TRP . 4161 1 46 . ASP . 4161 1 47 . VAL . 4161 1 48 . GLU . 4161 1 49 . LYS . 4161 1 50 . ASP . 4161 1 51 . ALA . 4161 1 52 . PRO . 4161 1 53 . LEU . 4161 1 54 . PHE . 4161 1 55 . ARG . 4161 1 56 . ASN . 4161 1 57 . TRP . 4161 1 58 . ALA . 4161 1 59 . ILE . 4161 1 60 . HIS . 4161 1 61 . THR . 4161 1 62 . GLY . 4161 1 63 . LYS . 4161 1 64 . HIS . 4161 1 65 . GLN . 4161 1 66 . PRO . 4161 1 67 . GLY . 4161 1 68 . ILE . 4161 1 69 . ASP . 4161 1 70 . LYS . 4161 1 71 . PRO . 4161 1 72 . ASP . 4161 1 73 . PRO . 4161 1 74 . LYS . 4161 1 75 . THR . 4161 1 76 . TRP . 4161 1 77 . LYS . 4161 1 78 . ALA . 4161 1 79 . ASN . 4161 1 80 . PHE . 4161 1 81 . ARG . 4161 1 82 . CYS . 4161 1 83 . ALA . 4161 1 84 . MET . 4161 1 85 . ASN . 4161 1 86 . SER . 4161 1 87 . LEU . 4161 1 88 . PRO . 4161 1 89 . ASP . 4161 1 90 . ILE . 4161 1 91 . GLU . 4161 1 92 . GLU . 4161 1 93 . VAL . 4161 1 94 . LYS . 4161 1 95 . ASP . 4161 1 96 . ARG . 4161 1 97 . SER . 4161 1 98 . ILE . 4161 1 99 . LYS . 4161 1 100 . LYS . 4161 1 101 . GLY . 4161 1 102 . ASN . 4161 1 103 . ASN . 4161 1 104 . ALA . 4161 1 105 . PHE . 4161 1 106 . ARG . 4161 1 107 . VAL . 4161 1 108 . TYR . 4161 1 109 . ARG . 4161 1 110 . MET . 4161 1 111 . LEU . 4161 1 112 . PRO . 4161 1 113 . ALA . 4161 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 . PRO 1 1 4161 1 . VAL 2 2 4161 1 . GLU 3 3 4161 1 . ARG 4 4 4161 1 . MET 5 5 4161 1 . ARG 6 6 4161 1 . MET 7 7 4161 1 . ARG 8 8 4161 1 . PRO 9 9 4161 1 . TRP 10 10 4161 1 . LEU 11 11 4161 1 . GLU 12 12 4161 1 . GLU 13 13 4161 1 . GLN 14 14 4161 1 . ILE 15 15 4161 1 . ASN 16 16 4161 1 . SER 17 17 4161 1 . ASN 18 18 4161 1 . THR 19 19 4161 1 . ILE 20 20 4161 1 . PRO 21 21 4161 1 . GLY 22 22 4161 1 . LEU 23 23 4161 1 . LYS 24 24 4161 1 . TRP 25 25 4161 1 . LEU 26 26 4161 1 . ASN 27 27 4161 1 . LYS 28 28 4161 1 . GLU 29 29 4161 1 . LYS 30 30 4161 1 . LYS 31 31 4161 1 . ILE 32 32 4161 1 . PHE 33 33 4161 1 . GLN 34 34 4161 1 . ILE 35 35 4161 1 . PRO 36 36 4161 1 . TRP 37 37 4161 1 . MET 38 38 4161 1 . HIS 39 39 4161 1 . ALA 40 40 4161 1 . ALA 41 41 4161 1 . ARG 42 42 4161 1 . HIS 43 43 4161 1 . GLY 44 44 4161 1 . TRP 45 45 4161 1 . ASP 46 46 4161 1 . VAL 47 47 4161 1 . GLU 48 48 4161 1 . LYS 49 49 4161 1 . ASP 50 50 4161 1 . ALA 51 51 4161 1 . PRO 52 52 4161 1 . LEU 53 53 4161 1 . PHE 54 54 4161 1 . ARG 55 55 4161 1 . ASN 56 56 4161 1 . TRP 57 57 4161 1 . ALA 58 58 4161 1 . ILE 59 59 4161 1 . HIS 60 60 4161 1 . THR 61 61 4161 1 . GLY 62 62 4161 1 . LYS 63 63 4161 1 . HIS 64 64 4161 1 . GLN 65 65 4161 1 . PRO 66 66 4161 1 . GLY 67 67 4161 1 . ILE 68 68 4161 1 . ASP 69 69 4161 1 . LYS 70 70 4161 1 . PRO 71 71 4161 1 . ASP 72 72 4161 1 . PRO 73 73 4161 1 . LYS 74 74 4161 1 . THR 75 75 4161 1 . TRP 76 76 4161 1 . LYS 77 77 4161 1 . ALA 78 78 4161 1 . ASN 79 79 4161 1 . PHE 80 80 4161 1 . ARG 81 81 4161 1 . CYS 82 82 4161 1 . ALA 83 83 4161 1 . MET 84 84 4161 1 . ASN 85 85 4161 1 . SER 86 86 4161 1 . LEU 87 87 4161 1 . PRO 88 88 4161 1 . ASP 89 89 4161 1 . ILE 90 90 4161 1 . GLU 91 91 4161 1 . GLU 92 92 4161 1 . VAL 93 93 4161 1 . LYS 94 94 4161 1 . ASP 95 95 4161 1 . ARG 96 96 4161 1 . SER 97 97 4161 1 . ILE 98 98 4161 1 . LYS 99 99 4161 1 . LYS 100 100 4161 1 . GLY 101 101 4161 1 . ASN 102 102 4161 1 . ASN 103 103 4161 1 . ALA 104 104 4161 1 . PHE 105 105 4161 1 . ARG 106 106 4161 1 . VAL 107 107 4161 1 . TYR 108 108 4161 1 . ARG 109 109 4161 1 . MET 110 110 4161 1 . LEU 111 111 4161 1 . PRO 112 112 4161 1 . ALA 113 113 4161 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4161 _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 $IRF-2(113) . 10090 . . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 4161 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 4161 _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 $IRF-2(113) . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . . . . . . . . 4161 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4161 _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 'IRF-2 DNA binding domain' '[U-13C; U-15N]' . . 1 $IRF-2(113) . . . 0.5 1.5 mM . . . . 4161 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4161 _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 'IRF-2 DNA binding domain' [U-15N] . . 1 $IRF-2(113) . . . 0.5 1.0 mM . . . . 4161 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4161 _Sample.ID 3 _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 'IRF-2 DNA binding domain' '[2H; HD1, HE3, HZ2, HZ3, HH2]-Trp' . . 1 $IRF-2(113) . . 1.0 . . mM . . . . 4161 3 2 'IRF-2 DNA binding domain' '[2H; HD1, HD2, HE1, HE2, HZ]-Phe' . . 1 $IRF-2(113) . . 1.0 . . mM . . . . 4161 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4161 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.6 0.2 n/a 4161 1 temperature 298 1 K 4161 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4161 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ save_software_two _Software.Sf_category software _Software.Sf_framecode software_two _Software.Entry_ID 4161 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4161 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4161 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_three _NMR_spectrometer.Entry_ID 4161 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model JEOL _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 4161 _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 NMR_spectrometer_one Bruker AMX . 500 . . . 4161 1 2 NMR_spectrometer_two Bruker DMX . 500 . . . 4161 1 3 NMR_spectrometer_three Bruker JEOL . 600 . . . 4161 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 4161 _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 HNCA . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4161 1 2 HN(CO)CA . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4161 1 3 HNCO . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4161 1 4 HNCACB . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4161 1 5 CBCA(CO)NH . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4161 1 6 '1H-15N NOESY' . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4161 1 7 '1H-13C NOESY' . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4161 1 8 HCCH-TOCSY . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4161 1 9 HCCH-COSY . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4161 1 10 '2D NOESY' . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4161 1 11 '2D TOCSY' . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4161 1 12 (HB)CB(CGCD)HD . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4161 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4161 _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 internal indirect 0.251449530 . . . 2 $citation_one . . . . 4161 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . direct 1.0 . . . 2 $citation_one . . . . 4161 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . 2 $citation_one . . . . 4161 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_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4161 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 . 4161 1 . . 2 $sample_two . 4161 1 . . 3 $sample_three . 4161 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 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 4161 1 2 . 1 1 1 1 PRO HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4161 1 3 . 1 1 1 1 PRO HB3 H 1 2.45 0.02 . 2 . . . . . . . . 4161 1 4 . 1 1 1 1 PRO HG2 H 1 2.04 0.02 . 2 . . . . . . . . 4161 1 5 . 1 1 1 1 PRO HD2 H 1 3.39 0.02 . 2 . . . . . . . . 4161 1 6 . 1 1 1 1 PRO CA C 13 61.9 0.4 . 1 . . . . . . . . 4161 1 7 . 1 1 1 1 PRO CB C 13 32.5 0.4 . 1 . . . . . . . . 4161 1 8 . 1 1 1 1 PRO CG C 13 26.3 0.4 . 1 . . . . . . . . 4161 1 9 . 1 1 1 1 PRO CD C 13 49.0 0.4 . 1 . . . . . . . . 4161 1 10 . 1 1 2 2 VAL H H 1 8.54 0.02 . 1 . . . . . . . . 4161 1 11 . 1 1 2 2 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 4161 1 12 . 1 1 2 2 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 4161 1 13 . 1 1 2 2 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 4161 1 14 . 1 1 2 2 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 4161 1 15 . 1 1 2 2 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 4161 1 16 . 1 1 2 2 VAL C C 13 175.5 0.4 . 1 . . . . . . . . 4161 1 17 . 1 1 2 2 VAL CA C 13 62.2 0.4 . 1 . . . . . . . . 4161 1 18 . 1 1 2 2 VAL CB C 13 32.4 0.4 . 1 . . . . . . . . 4161 1 19 . 1 1 2 2 VAL CG1 C 13 20.8 0.4 . 2 . . . . . . . . 4161 1 20 . 1 1 2 2 VAL N N 15 120.0 0.2 . 1 . . . . . . . . 4161 1 21 . 1 1 3 3 GLU H H 1 8.60 0.02 . 1 . . . . . . . . 4161 1 22 . 1 1 3 3 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 4161 1 23 . 1 1 3 3 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 4161 1 24 . 1 1 3 3 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 4161 1 25 . 1 1 3 3 GLU HG2 H 1 2.27 0.02 . 2 . . . . . . . . 4161 1 26 . 1 1 3 3 GLU C C 13 176.1 0.4 . 1 . . . . . . . . 4161 1 27 . 1 1 3 3 GLU CA C 13 56.2 0.4 . 1 . . . . . . . . 4161 1 28 . 1 1 3 3 GLU CB C 13 29.8 0.4 . 1 . . . . . . . . 4161 1 29 . 1 1 3 3 GLU N N 15 125.9 0.2 . 1 . . . . . . . . 4161 1 30 . 1 1 4 4 ARG H H 1 8.43 0.02 . 1 . . . . . . . . 4161 1 31 . 1 1 4 4 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 4161 1 32 . 1 1 4 4 ARG HB2 H 1 1.71 0.02 . 2 . . . . . . . . 4161 1 33 . 1 1 4 4 ARG HG2 H 1 1.54 0.02 . 2 . . . . . . . . 4161 1 34 . 1 1 4 4 ARG HD2 H 1 2.95 0.02 . 2 . . . . . . . . 4161 1 35 . 1 1 4 4 ARG C C 13 175.1 0.4 . 1 . . . . . . . . 4161 1 36 . 1 1 4 4 ARG CA C 13 56.0 0.4 . 1 . . . . . . . . 4161 1 37 . 1 1 4 4 ARG CB C 13 30.1 0.4 . 1 . . . . . . . . 4161 1 38 . 1 1 4 4 ARG CD C 13 42.4 0.4 . 1 . . . . . . . . 4161 1 39 . 1 1 4 4 ARG N N 15 122.8 0.2 . 1 . . . . . . . . 4161 1 40 . 1 1 5 5 MET H H 1 8.61 0.02 . 1 . . . . . . . . 4161 1 41 . 1 1 5 5 MET HA H 1 4.44 0.02 . 1 . . . . . . . . 4161 1 42 . 1 1 5 5 MET HB2 H 1 2.10 0.02 . 2 . . . . . . . . 4161 1 43 . 1 1 5 5 MET HB3 H 1 2.14 0.02 . 2 . . . . . . . . 4161 1 44 . 1 1 5 5 MET HG2 H 1 2.64 0.02 . 2 . . . . . . . . 4161 1 45 . 1 1 5 5 MET HE1 H 1 2.02 0.02 . 1 . . . . . . . . 4161 1 46 . 1 1 5 5 MET HE2 H 1 2.02 0.02 . 1 . . . . . . . . 4161 1 47 . 1 1 5 5 MET HE3 H 1 2.02 0.02 . 1 . . . . . . . . 4161 1 48 . 1 1 5 5 MET C C 13 176.3 0.4 . 1 . . . . . . . . 4161 1 49 . 1 1 5 5 MET CA C 13 55.8 0.4 . 1 . . . . . . . . 4161 1 50 . 1 1 5 5 MET CB C 13 32.9 0.4 . 1 . . . . . . . . 4161 1 51 . 1 1 5 5 MET CG C 13 32.2 0.4 . 1 . . . . . . . . 4161 1 52 . 1 1 5 5 MET CE C 13 16.8 0.4 . 1 . . . . . . . . 4161 1 53 . 1 1 5 5 MET N N 15 121.0 0.2 . 1 . . . . . . . . 4161 1 54 . 1 1 6 6 ARG H H 1 8.48 0.02 . 1 . . . . . . . . 4161 1 55 . 1 1 6 6 ARG HA H 1 4.47 0.02 . 1 . . . . . . . . 4161 1 56 . 1 1 6 6 ARG HB2 H 1 1.87 0.02 . 2 . . . . . . . . 4161 1 57 . 1 1 6 6 ARG HB3 H 1 2.17 0.02 . 2 . . . . . . . . 4161 1 58 . 1 1 6 6 ARG HG2 H 1 1.75 0.02 . 2 . . . . . . . . 4161 1 59 . 1 1 6 6 ARG HG3 H 1 1.92 0.02 . 2 . . . . . . . . 4161 1 60 . 1 1 6 6 ARG HD2 H 1 3.32 0.02 . 2 . . . . . . . . 4161 1 61 . 1 1 6 6 ARG C C 13 176.1 0.4 . 1 . . . . . . . . 4161 1 62 . 1 1 6 6 ARG CA C 13 55.8 0.4 . 1 . . . . . . . . 4161 1 63 . 1 1 6 6 ARG CB C 13 30.4 0.4 . 1 . . . . . . . . 4161 1 64 . 1 1 6 6 ARG CG C 13 27.2 0.4 . 1 . . . . . . . . 4161 1 65 . 1 1 6 6 ARG CD C 13 43.2 0.4 . 1 . . . . . . . . 4161 1 66 . 1 1 6 6 ARG N N 15 122.7 0.2 . 1 . . . . . . . . 4161 1 67 . 1 1 7 7 MET H H 1 8.77 0.02 . 1 . . . . . . . . 4161 1 68 . 1 1 7 7 MET HA H 1 4.22 0.02 . 1 . . . . . . . . 4161 1 69 . 1 1 7 7 MET HB2 H 1 1.72 0.02 . 2 . . . . . . . . 4161 1 70 . 1 1 7 7 MET HG2 H 1 1.87 0.02 . 2 . . . . . . . . 4161 1 71 . 1 1 7 7 MET HG3 H 1 2.14 0.02 . 2 . . . . . . . . 4161 1 72 . 1 1 7 7 MET HE1 H 1 0.30 0.02 . 1 . . . . . . . . 4161 1 73 . 1 1 7 7 MET HE2 H 1 0.30 0.02 . 1 . . . . . . . . 4161 1 74 . 1 1 7 7 MET HE3 H 1 0.30 0.02 . 1 . . . . . . . . 4161 1 75 . 1 1 7 7 MET C C 13 176.2 0.4 . 1 . . . . . . . . 4161 1 76 . 1 1 7 7 MET CA C 13 59.5 0.4 . 1 . . . . . . . . 4161 1 77 . 1 1 7 7 MET CG C 13 32.5 0.4 . 1 . . . . . . . . 4161 1 78 . 1 1 7 7 MET CE C 13 18.0 0.4 . 1 . . . . . . . . 4161 1 79 . 1 1 7 7 MET N N 15 122.3 0.2 . 1 . . . . . . . . 4161 1 80 . 1 1 8 8 ARG H H 1 9.32 0.02 . 1 . . . . . . . . 4161 1 81 . 1 1 8 8 ARG HA H 1 4.06 0.02 . 1 . . . . . . . . 4161 1 82 . 1 1 8 8 ARG HB2 H 1 1.94 0.02 . 2 . . . . . . . . 4161 1 83 . 1 1 8 8 ARG HB3 H 1 2.11 0.02 . 2 . . . . . . . . 4161 1 84 . 1 1 8 8 ARG HG2 H 1 0.95 0.02 . 2 . . . . . . . . 4161 1 85 . 1 1 8 8 ARG HD2 H 1 3.21 0.02 . 2 . . . . . . . . 4161 1 86 . 1 1 8 8 ARG C C 13 174.1 0.4 . 1 . . . . . . . . 4161 1 87 . 1 1 8 8 ARG CA C 13 62.5 0.4 . 1 . . . . . . . . 4161 1 88 . 1 1 8 8 ARG CB C 13 27.2 0.4 . 1 . . . . . . . . 4161 1 89 . 1 1 8 8 ARG N N 15 118.6 0.2 . 1 . . . . . . . . 4161 1 90 . 1 1 9 9 PRO HA H 1 4.46 0.02 . 1 . . . . . . . . 4161 1 91 . 1 1 9 9 PRO HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4161 1 92 . 1 1 9 9 PRO HB3 H 1 2.36 0.02 . 2 . . . . . . . . 4161 1 93 . 1 1 9 9 PRO HG2 H 1 2.12 0.02 . 2 . . . . . . . . 4161 1 94 . 1 1 9 9 PRO HG3 H 1 2.23 0.02 . 2 . . . . . . . . 4161 1 95 . 1 1 9 9 PRO HD2 H 1 3.59 0.02 . 2 . . . . . . . . 4161 1 96 . 1 1 9 9 PRO HD3 H 1 3.75 0.02 . 2 . . . . . . . . 4161 1 97 . 1 1 9 9 PRO C C 13 178.9 0.4 . 1 . . . . . . . . 4161 1 98 . 1 1 9 9 PRO CA C 13 65.5 0.4 . 1 . . . . . . . . 4161 1 99 . 1 1 9 9 PRO CB C 13 30.1 0.4 . 1 . . . . . . . . 4161 1 100 . 1 1 9 9 PRO CG C 13 27.9 0.4 . 1 . . . . . . . . 4161 1 101 . 1 1 9 9 PRO CD C 13 49.0 0.4 . 1 . . . . . . . . 4161 1 102 . 1 1 10 10 TRP H H 1 7.38 0.02 . 1 . . . . . . . . 4161 1 103 . 1 1 10 10 TRP HA H 1 4.15 0.02 . 1 . . . . . . . . 4161 1 104 . 1 1 10 10 TRP HB2 H 1 3.57 0.02 . 2 . . . . . . . . 4161 1 105 . 1 1 10 10 TRP HB3 H 1 3.12 0.02 . 2 . . . . . . . . 4161 1 106 . 1 1 10 10 TRP HD1 H 1 6.70 0.02 . 1 . . . . . . . . 4161 1 107 . 1 1 10 10 TRP HE1 H 1 10.15 0.02 . 1 . . . . . . . . 4161 1 108 . 1 1 10 10 TRP HE3 H 1 7.45 0.02 . 1 . . . . . . . . 4161 1 109 . 1 1 10 10 TRP HZ2 H 1 7.15 0.02 . 1 . . . . . . . . 4161 1 110 . 1 1 10 10 TRP HZ3 H 1 6.89 0.02 . 1 . . . . . . . . 4161 1 111 . 1 1 10 10 TRP HH2 H 1 7.37 0.02 . 1 . . . . . . . . 4161 1 112 . 1 1 10 10 TRP C C 13 177.8 0.4 . 1 . . . . . . . . 4161 1 113 . 1 1 10 10 TRP CA C 13 61.7 0.4 . 1 . . . . . . . . 4161 1 114 . 1 1 10 10 TRP CB C 13 28.4 0.4 . 1 . . . . . . . . 4161 1 115 . 1 1 10 10 TRP N N 15 120.0 0.2 . 1 . . . . . . . . 4161 1 116 . 1 1 10 10 TRP NE1 N 15 130.8 0.2 . 1 . . . . . . . . 4161 1 117 . 1 1 11 11 LEU H H 1 9.23 0.02 . 1 . . . . . . . . 4161 1 118 . 1 1 11 11 LEU HA H 1 3.39 0.02 . 1 . . . . . . . . 4161 1 119 . 1 1 11 11 LEU HB2 H 1 1.28 0.02 . 2 . . . . . . . . 4161 1 120 . 1 1 11 11 LEU HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4161 1 121 . 1 1 11 11 LEU HG H 1 1.44 0.02 . 1 . . . . . . . . 4161 1 122 . 1 1 11 11 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 4161 1 123 . 1 1 11 11 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 4161 1 124 . 1 1 11 11 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 4161 1 125 . 1 1 11 11 LEU C C 13 179.1 0.4 . 1 . . . . . . . . 4161 1 126 . 1 1 11 11 LEU CA C 13 57.4 0.4 . 1 . . . . . . . . 4161 1 127 . 1 1 11 11 LEU CB C 13 42.0 0.4 . 1 . . . . . . . . 4161 1 128 . 1 1 11 11 LEU CG C 13 27.1 0.4 . 1 . . . . . . . . 4161 1 129 . 1 1 11 11 LEU CD2 C 13 24.6 0.4 . 2 . . . . . . . . 4161 1 130 . 1 1 11 11 LEU N N 15 121.8 0.2 . 1 . . . . . . . . 4161 1 131 . 1 1 12 12 GLU H H 1 8.20 0.02 . 1 . . . . . . . . 4161 1 132 . 1 1 12 12 GLU HA H 1 3.49 0.02 . 1 . . . . . . . . 4161 1 133 . 1 1 12 12 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 4161 1 134 . 1 1 12 12 GLU HB3 H 1 2.17 0.02 . 2 . . . . . . . . 4161 1 135 . 1 1 12 12 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 4161 1 136 . 1 1 12 12 GLU HG3 H 1 2.50 0.02 . 2 . . . . . . . . 4161 1 137 . 1 1 12 12 GLU C C 13 177.1 0.4 . 1 . . . . . . . . 4161 1 138 . 1 1 12 12 GLU CA C 13 60.9 0.4 . 1 . . . . . . . . 4161 1 139 . 1 1 12 12 GLU CB C 13 29.3 0.4 . 1 . . . . . . . . 4161 1 140 . 1 1 12 12 GLU CG C 13 37.8 0.4 . 1 . . . . . . . . 4161 1 141 . 1 1 12 12 GLU N N 15 118.1 0.2 . 1 . . . . . . . . 4161 1 142 . 1 1 13 13 GLU H H 1 7.41 0.02 . 1 . . . . . . . . 4161 1 143 . 1 1 13 13 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 4161 1 144 . 1 1 13 13 GLU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4161 1 145 . 1 1 13 13 GLU HB3 H 1 2.02 0.02 . 2 . . . . . . . . 4161 1 146 . 1 1 13 13 GLU HG2 H 1 2.08 0.02 . 2 . . . . . . . . 4161 1 147 . 1 1 13 13 GLU HG3 H 1 2.27 0.02 . 2 . . . . . . . . 4161 1 148 . 1 1 13 13 GLU C C 13 179.3 0.4 . 1 . . . . . . . . 4161 1 149 . 1 1 13 13 GLU CA C 13 59.3 0.4 . 1 . . . . . . . . 4161 1 150 . 1 1 13 13 GLU CB C 13 28.4 0.4 . 1 . . . . . . . . 4161 1 151 . 1 1 13 13 GLU CG C 13 35.8 0.4 . 1 . . . . . . . . 4161 1 152 . 1 1 13 13 GLU N N 15 117.5 0.2 . 1 . . . . . . . . 4161 1 153 . 1 1 14 14 GLN H H 1 7.77 0.02 . 1 . . . . . . . . 4161 1 154 . 1 1 14 14 GLN HA H 1 3.52 0.02 . 1 . . . . . . . . 4161 1 155 . 1 1 14 14 GLN HB2 H 1 1.38 0.02 . 2 . . . . . . . . 4161 1 156 . 1 1 14 14 GLN HB3 H 1 1.49 0.02 . 2 . . . . . . . . 4161 1 157 . 1 1 14 14 GLN HG2 H 1 0.37 0.02 . 2 . . . . . . . . 4161 1 158 . 1 1 14 14 GLN HG3 H 1 1.10 0.02 . 2 . . . . . . . . 4161 1 159 . 1 1 14 14 GLN HE21 H 1 6.39 0.02 . 2 . . . . . . . . 4161 1 160 . 1 1 14 14 GLN HE22 H 1 5.83 0.02 . 2 . . . . . . . . 4161 1 161 . 1 1 14 14 GLN C C 13 179.9 0.4 . 1 . . . . . . . . 4161 1 162 . 1 1 14 14 GLN CA C 13 57.4 0.4 . 1 . . . . . . . . 4161 1 163 . 1 1 14 14 GLN CB C 13 27.2 0.4 . 1 . . . . . . . . 4161 1 164 . 1 1 14 14 GLN CG C 13 31.0 0.4 . 1 . . . . . . . . 4161 1 165 . 1 1 14 14 GLN N N 15 118.4 0.2 . 1 . . . . . . . . 4161 1 166 . 1 1 14 14 GLN NE2 N 15 113.1 0.2 . 1 . . . . . . . . 4161 1 167 . 1 1 15 15 ILE H H 1 8.44 0.02 . 1 . . . . . . . . 4161 1 168 . 1 1 15 15 ILE HA H 1 2.94 0.02 . 1 . . . . . . . . 4161 1 169 . 1 1 15 15 ILE HB H 1 0.89 0.02 . 1 . . . . . . . . 4161 1 170 . 1 1 15 15 ILE HG12 H 1 1.12 0.02 . 2 . . . . . . . . 4161 1 171 . 1 1 15 15 ILE HG13 H 1 -0.24 0.02 . 2 . . . . . . . . 4161 1 172 . 1 1 15 15 ILE HG21 H 1 -0.67 0.02 . 1 . . . . . . . . 4161 1 173 . 1 1 15 15 ILE HG22 H 1 -0.67 0.02 . 1 . . . . . . . . 4161 1 174 . 1 1 15 15 ILE HG23 H 1 -0.67 0.02 . 1 . . . . . . . . 4161 1 175 . 1 1 15 15 ILE HD11 H 1 -1.01 0.02 . 1 . . . . . . . . 4161 1 176 . 1 1 15 15 ILE HD12 H 1 -1.01 0.02 . 1 . . . . . . . . 4161 1 177 . 1 1 15 15 ILE HD13 H 1 -1.01 0.02 . 1 . . . . . . . . 4161 1 178 . 1 1 15 15 ILE C C 13 178.2 0.4 . 1 . . . . . . . . 4161 1 179 . 1 1 15 15 ILE CA C 13 65.9 0.4 . 1 . . . . . . . . 4161 1 180 . 1 1 15 15 ILE CB C 13 38.1 0.4 . 1 . . . . . . . . 4161 1 181 . 1 1 15 15 ILE CG1 C 13 28.0 0.4 . 1 . . . . . . . . 4161 1 182 . 1 1 15 15 ILE CG2 C 13 16.8 0.4 . 1 . . . . . . . . 4161 1 183 . 1 1 15 15 ILE CD1 C 13 13.2 0.4 . 1 . . . . . . . . 4161 1 184 . 1 1 15 15 ILE N N 15 122.4 0.2 . 1 . . . . . . . . 4161 1 185 . 1 1 16 16 ASN H H 1 8.27 0.02 . 1 . . . . . . . . 4161 1 186 . 1 1 16 16 ASN HA H 1 4.60 0.02 . 1 . . . . . . . . 4161 1 187 . 1 1 16 16 ASN HB2 H 1 2.87 0.02 . 2 . . . . . . . . 4161 1 188 . 1 1 16 16 ASN HD21 H 1 7.59 0.02 . 1 . . . . . . . . 4161 1 189 . 1 1 16 16 ASN HD22 H 1 7.59 0.02 . 1 . . . . . . . . 4161 1 190 . 1 1 16 16 ASN C C 13 176.7 0.4 . 1 . . . . . . . . 4161 1 191 . 1 1 16 16 ASN CA C 13 54.7 0.4 . 1 . . . . . . . . 4161 1 192 . 1 1 16 16 ASN CB C 13 38.1 0.4 . 1 . . . . . . . . 4161 1 193 . 1 1 16 16 ASN N N 15 116.9 0.2 . 1 . . . . . . . . 4161 1 194 . 1 1 16 16 ASN ND2 N 15 114.3 0.2 . 1 . . . . . . . . 4161 1 195 . 1 1 17 17 SER H H 1 7.74 0.02 . 1 . . . . . . . . 4161 1 196 . 1 1 17 17 SER HA H 1 4.19 0.02 . 1 . . . . . . . . 4161 1 197 . 1 1 17 17 SER HB2 H 1 3.92 0.02 . 2 . . . . . . . . 4161 1 198 . 1 1 17 17 SER HB3 H 1 4.00 0.02 . 2 . . . . . . . . 4161 1 199 . 1 1 17 17 SER C C 13 173.9 0.4 . 1 . . . . . . . . 4161 1 200 . 1 1 17 17 SER CA C 13 59.8 0.4 . 1 . . . . . . . . 4161 1 201 . 1 1 17 17 SER CB C 13 63.1 0.4 . 1 . . . . . . . . 4161 1 202 . 1 1 17 17 SER N N 15 113.4 0.2 . 1 . . . . . . . . 4161 1 203 . 1 1 18 18 ASN H H 1 7.58 0.02 . 1 . . . . . . . . 4161 1 204 . 1 1 18 18 ASN HA H 1 4.72 0.02 . 1 . . . . . . . . 4161 1 205 . 1 1 18 18 ASN HB2 H 1 2.82 0.02 . 2 . . . . . . . . 4161 1 206 . 1 1 18 18 ASN HB3 H 1 3.15 0.02 . 2 . . . . . . . . 4161 1 207 . 1 1 18 18 ASN HD21 H 1 7.60 0.02 . 2 . . . . . . . . 4161 1 208 . 1 1 18 18 ASN HD22 H 1 6.82 0.02 . 2 . . . . . . . . 4161 1 209 . 1 1 18 18 ASN C C 13 175.0 0.4 . 1 . . . . . . . . 4161 1 210 . 1 1 18 18 ASN CA C 13 54.7 0.4 . 1 . . . . . . . . 4161 1 211 . 1 1 18 18 ASN CB C 13 37.5 0.4 . 1 . . . . . . . . 4161 1 212 . 1 1 18 18 ASN N N 15 116.3 0.2 . 1 . . . . . . . . 4161 1 213 . 1 1 18 18 ASN ND2 N 15 113.1 0.2 . 1 . . . . . . . . 4161 1 214 . 1 1 19 19 THR H H 1 7.66 0.02 . 1 . . . . . . . . 4161 1 215 . 1 1 19 19 THR HA H 1 4.22 0.02 . 1 . . . . . . . . 4161 1 216 . 1 1 19 19 THR HB H 1 4.14 0.02 . 1 . . . . . . . . 4161 1 217 . 1 1 19 19 THR HG21 H 1 1.10 0.02 . 1 . . . . . . . . 4161 1 218 . 1 1 19 19 THR HG22 H 1 1.10 0.02 . 1 . . . . . . . . 4161 1 219 . 1 1 19 19 THR HG23 H 1 1.10 0.02 . 1 . . . . . . . . 4161 1 220 . 1 1 19 19 THR C C 13 174.7 0.4 . 1 . . . . . . . . 4161 1 221 . 1 1 19 19 THR CA C 13 62.4 0.4 . 1 . . . . . . . . 4161 1 222 . 1 1 19 19 THR CB C 13 70.2 0.4 . 1 . . . . . . . . 4161 1 223 . 1 1 19 19 THR CG2 C 13 22.2 0.4 . 1 . . . . . . . . 4161 1 224 . 1 1 19 19 THR N N 15 107.2 0.2 . 1 . . . . . . . . 4161 1 225 . 1 1 20 20 ILE H H 1 8.40 0.02 . 1 . . . . . . . . 4161 1 226 . 1 1 20 20 ILE HA H 1 4.60 0.02 . 1 . . . . . . . . 4161 1 227 . 1 1 20 20 ILE HB H 1 2.11 0.02 . 1 . . . . . . . . 4161 1 228 . 1 1 20 20 ILE HG12 H 1 1.10 0.02 . 2 . . . . . . . . 4161 1 229 . 1 1 20 20 ILE HG13 H 1 1.29 0.02 . 2 . . . . . . . . 4161 1 230 . 1 1 20 20 ILE HG21 H 1 0.73 0.02 . 1 . . . . . . . . 4161 1 231 . 1 1 20 20 ILE HG22 H 1 0.73 0.02 . 1 . . . . . . . . 4161 1 232 . 1 1 20 20 ILE HG23 H 1 0.73 0.02 . 1 . . . . . . . . 4161 1 233 . 1 1 20 20 ILE HD11 H 1 0.60 0.02 . 1 . . . . . . . . 4161 1 234 . 1 1 20 20 ILE HD12 H 1 0.60 0.02 . 1 . . . . . . . . 4161 1 235 . 1 1 20 20 ILE HD13 H 1 0.60 0.02 . 1 . . . . . . . . 4161 1 236 . 1 1 20 20 ILE C C 13 173.5 0.4 . 1 . . . . . . . . 4161 1 237 . 1 1 20 20 ILE CA C 13 56.4 0.4 . 1 . . . . . . . . 4161 1 238 . 1 1 20 20 ILE CB C 13 37.5 0.4 . 1 . . . . . . . . 4161 1 239 . 1 1 20 20 ILE CG1 C 13 26.3 0.4 . 1 . . . . . . . . 4161 1 240 . 1 1 20 20 ILE CG2 C 13 17.5 0.4 . 1 . . . . . . . . 4161 1 241 . 1 1 20 20 ILE CD1 C 13 11.7 0.4 . 1 . . . . . . . . 4161 1 242 . 1 1 20 20 ILE N N 15 124.3 0.2 . 1 . . . . . . . . 4161 1 243 . 1 1 21 21 PRO HA H 1 4.19 0.02 . 1 . . . . . . . . 4161 1 244 . 1 1 21 21 PRO HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4161 1 245 . 1 1 21 21 PRO HB3 H 1 2.31 0.02 . 2 . . . . . . . . 4161 1 246 . 1 1 21 21 PRO HG2 H 1 1.91 0.02 . 2 . . . . . . . . 4161 1 247 . 1 1 21 21 PRO HD2 H 1 3.61 0.02 . 2 . . . . . . . . 4161 1 248 . 1 1 21 21 PRO HD3 H 1 4.05 0.02 . 2 . . . . . . . . 4161 1 249 . 1 1 21 21 PRO C C 13 177.1 0.4 . 1 . . . . . . . . 4161 1 250 . 1 1 21 21 PRO CA C 13 63.9 0.4 . 1 . . . . . . . . 4161 1 251 . 1 1 21 21 PRO CB C 13 31.7 0.4 . 1 . . . . . . . . 4161 1 252 . 1 1 21 21 PRO CD C 13 51.3 0.4 . 1 . . . . . . . . 4161 1 253 . 1 1 22 22 GLY H H 1 8.79 0.02 . 1 . . . . . . . . 4161 1 254 . 1 1 22 22 GLY HA2 H 1 3.50 0.02 . 2 . . . . . . . . 4161 1 255 . 1 1 22 22 GLY HA3 H 1 4.21 0.02 . 2 . . . . . . . . 4161 1 256 . 1 1 22 22 GLY C C 13 172.1 0.4 . 1 . . . . . . . . 4161 1 257 . 1 1 22 22 GLY CA C 13 45.2 0.4 . 1 . . . . . . . . 4161 1 258 . 1 1 22 22 GLY N N 15 112.1 0.2 . 1 . . . . . . . . 4161 1 259 . 1 1 23 23 LEU H H 1 7.73 0.02 . 1 . . . . . . . . 4161 1 260 . 1 1 23 23 LEU HA H 1 5.28 0.02 . 1 . . . . . . . . 4161 1 261 . 1 1 23 23 LEU HB2 H 1 0.75 0.02 . 2 . . . . . . . . 4161 1 262 . 1 1 23 23 LEU HB3 H 1 2.39 0.02 . 2 . . . . . . . . 4161 1 263 . 1 1 23 23 LEU HG H 1 2.08 0.02 . 1 . . . . . . . . 4161 1 264 . 1 1 23 23 LEU HD11 H 1 1.05 0.02 . 1 . . . . . . . . 4161 1 265 . 1 1 23 23 LEU HD12 H 1 1.05 0.02 . 1 . . . . . . . . 4161 1 266 . 1 1 23 23 LEU HD13 H 1 1.05 0.02 . 1 . . . . . . . . 4161 1 267 . 1 1 23 23 LEU HD21 H 1 0.59 0.02 . 1 . . . . . . . . 4161 1 268 . 1 1 23 23 LEU HD22 H 1 0.59 0.02 . 1 . . . . . . . . 4161 1 269 . 1 1 23 23 LEU HD23 H 1 0.59 0.02 . 1 . . . . . . . . 4161 1 270 . 1 1 23 23 LEU C C 13 173.8 0.4 . 1 . . . . . . . . 4161 1 271 . 1 1 23 23 LEU CA C 13 53.6 0.4 . 1 . . . . . . . . 4161 1 272 . 1 1 23 23 LEU CB C 13 41.3 0.4 . 1 . . . . . . . . 4161 1 273 . 1 1 23 23 LEU CG C 13 27.4 0.4 . 1 . . . . . . . . 4161 1 274 . 1 1 23 23 LEU CD1 C 13 23.7 0.4 . 1 . . . . . . . . 4161 1 275 . 1 1 23 23 LEU CD2 C 13 26.9 0.4 . 1 . . . . . . . . 4161 1 276 . 1 1 23 23 LEU N N 15 123.0 0.2 . 1 . . . . . . . . 4161 1 277 . 1 1 24 24 LYS H H 1 7.69 0.02 . 1 . . . . . . . . 4161 1 278 . 1 1 24 24 LYS HA H 1 4.79 0.02 . 1 . . . . . . . . 4161 1 279 . 1 1 24 24 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 4161 1 280 . 1 1 24 24 LYS HG2 H 1 0.94 0.02 . 2 . . . . . . . . 4161 1 281 . 1 1 24 24 LYS HG3 H 1 1.15 0.02 . 2 . . . . . . . . 4161 1 282 . 1 1 24 24 LYS HD2 H 1 1.53 0.02 . 2 . . . . . . . . 4161 1 283 . 1 1 24 24 LYS HE2 H 1 2.75 0.02 . 2 . . . . . . . . 4161 1 284 . 1 1 24 24 LYS C C 13 174.6 0.4 . 1 . . . . . . . . 4161 1 285 . 1 1 24 24 LYS CA C 13 54.2 0.4 . 1 . . . . . . . . 4161 1 286 . 1 1 24 24 LYS CB C 13 34.9 0.4 . 1 . . . . . . . . 4161 1 287 . 1 1 24 24 LYS CG C 13 22.6 0.4 . 1 . . . . . . . . 4161 1 288 . 1 1 24 24 LYS CD C 13 29.0 0.4 . 1 . . . . . . . . 4161 1 289 . 1 1 24 24 LYS CE C 13 41.4 0.4 . 1 . . . . . . . . 4161 1 290 . 1 1 24 24 LYS N N 15 120.8 0.2 . 1 . . . . . . . . 4161 1 291 . 1 1 25 25 TRP H H 1 8.68 0.02 . 1 . . . . . . . . 4161 1 292 . 1 1 25 25 TRP HA H 1 4.94 0.02 . 1 . . . . . . . . 4161 1 293 . 1 1 25 25 TRP HB2 H 1 2.96 0.02 . 2 . . . . . . . . 4161 1 294 . 1 1 25 25 TRP HB3 H 1 3.20 0.02 . 2 . . . . . . . . 4161 1 295 . 1 1 25 25 TRP HD1 H 1 7.46 0.02 . 1 . . . . . . . . 4161 1 296 . 1 1 25 25 TRP HE1 H 1 10.64 0.02 . 1 . . . . . . . . 4161 1 297 . 1 1 25 25 TRP HE3 H 1 7.75 0.02 . 1 . . . . . . . . 4161 1 298 . 1 1 25 25 TRP HZ2 H 1 7.40 0.02 . 1 . . . . . . . . 4161 1 299 . 1 1 25 25 TRP HZ3 H 1 6.84 0.02 . 1 . . . . . . . . 4161 1 300 . 1 1 25 25 TRP HH2 H 1 7.07 0.02 . 1 . . . . . . . . 4161 1 301 . 1 1 25 25 TRP C C 13 176.9 0.4 . 1 . . . . . . . . 4161 1 302 . 1 1 25 25 TRP CA C 13 56.9 0.4 . 1 . . . . . . . . 4161 1 303 . 1 1 25 25 TRP CB C 13 29.8 0.4 . 1 . . . . . . . . 4161 1 304 . 1 1 25 25 TRP N N 15 120.4 0.2 . 1 . . . . . . . . 4161 1 305 . 1 1 25 25 TRP NE1 N 15 130.9 0.2 . 1 . . . . . . . . 4161 1 306 . 1 1 26 26 LEU H H 1 9.58 0.02 . 1 . . . . . . . . 4161 1 307 . 1 1 26 26 LEU HA H 1 4.58 0.02 . 1 . . . . . . . . 4161 1 308 . 1 1 26 26 LEU HB2 H 1 1.42 0.02 . 2 . . . . . . . . 4161 1 309 . 1 1 26 26 LEU HB3 H 1 1.60 0.02 . 2 . . . . . . . . 4161 1 310 . 1 1 26 26 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 4161 1 311 . 1 1 26 26 LEU HD11 H 1 0.89 0.02 . 1 . . . . . . . . 4161 1 312 . 1 1 26 26 LEU HD12 H 1 0.89 0.02 . 1 . . . . . . . . 4161 1 313 . 1 1 26 26 LEU HD13 H 1 0.89 0.02 . 1 . . . . . . . . 4161 1 314 . 1 1 26 26 LEU HD21 H 1 0.82 0.02 . 1 . . . . . . . . 4161 1 315 . 1 1 26 26 LEU HD22 H 1 0.82 0.02 . 1 . . . . . . . . 4161 1 316 . 1 1 26 26 LEU HD23 H 1 0.82 0.02 . 1 . . . . . . . . 4161 1 317 . 1 1 26 26 LEU C C 13 177.6 0.4 . 1 . . . . . . . . 4161 1 318 . 1 1 26 26 LEU CA C 13 55.4 0.4 . 1 . . . . . . . . 4161 1 319 . 1 1 26 26 LEU CB C 13 42.5 0.4 . 1 . . . . . . . . 4161 1 320 . 1 1 26 26 LEU CG C 13 27.2 0.4 . 1 . . . . . . . . 4161 1 321 . 1 1 26 26 LEU CD1 C 13 26.2 0.4 . 1 . . . . . . . . 4161 1 322 . 1 1 26 26 LEU CD2 C 13 22.0 0.4 . 1 . . . . . . . . 4161 1 323 . 1 1 26 26 LEU N N 15 123.8 0.2 . 1 . . . . . . . . 4161 1 324 . 1 1 27 27 ASN H H 1 7.74 0.02 . 1 . . . . . . . . 4161 1 325 . 1 1 27 27 ASN HA H 1 4.69 0.02 . 1 . . . . . . . . 4161 1 326 . 1 1 27 27 ASN HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4161 1 327 . 1 1 27 27 ASN HD21 H 1 7.13 0.02 . 2 . . . . . . . . 4161 1 328 . 1 1 27 27 ASN HD22 H 1 7.80 0.02 . 2 . . . . . . . . 4161 1 329 . 1 1 27 27 ASN C C 13 174.7 0.4 . 1 . . . . . . . . 4161 1 330 . 1 1 27 27 ASN CA C 13 53.0 0.4 . 1 . . . . . . . . 4161 1 331 . 1 1 27 27 ASN CB C 13 39.0 0.4 . 1 . . . . . . . . 4161 1 332 . 1 1 27 27 ASN N N 15 115.3 0.2 . 1 . . . . . . . . 4161 1 333 . 1 1 27 27 ASN ND2 N 15 112.7 0.2 . 1 . . . . . . . . 4161 1 334 . 1 1 28 28 LYS H H 1 9.27 0.02 . 1 . . . . . . . . 4161 1 335 . 1 1 28 28 LYS HA H 1 3.17 0.02 . 1 . . . . . . . . 4161 1 336 . 1 1 28 28 LYS HB2 H 1 1.37 0.02 . 2 . . . . . . . . 4161 1 337 . 1 1 28 28 LYS HB3 H 1 1.54 0.02 . 2 . . . . . . . . 4161 1 338 . 1 1 28 28 LYS HG2 H 1 0.00 0.02 . 2 . . . . . . . . 4161 1 339 . 1 1 28 28 LYS HG3 H 1 0.76 0.02 . 2 . . . . . . . . 4161 1 340 . 1 1 28 28 LYS HD2 H 1 1.35 0.02 . 2 . . . . . . . . 4161 1 341 . 1 1 28 28 LYS HE2 H 1 2.77 0.02 . 2 . . . . . . . . 4161 1 342 . 1 1 28 28 LYS HE3 H 1 2.83 0.02 . 2 . . . . . . . . 4161 1 343 . 1 1 28 28 LYS C C 13 177.7 0.4 . 1 . . . . . . . . 4161 1 344 . 1 1 28 28 LYS CA C 13 59.6 0.4 . 1 . . . . . . . . 4161 1 345 . 1 1 28 28 LYS CB C 13 32.5 0.4 . 1 . . . . . . . . 4161 1 346 . 1 1 28 28 LYS CG C 13 24.1 0.4 . 1 . . . . . . . . 4161 1 347 . 1 1 28 28 LYS CD C 13 29.0 0.4 . 1 . . . . . . . . 4161 1 348 . 1 1 28 28 LYS CE C 13 41.4 0.4 . 1 . . . . . . . . 4161 1 349 . 1 1 28 28 LYS N N 15 128.8 0.2 . 1 . . . . . . . . 4161 1 350 . 1 1 29 29 GLU H H 1 8.42 0.02 . 1 . . . . . . . . 4161 1 351 . 1 1 29 29 GLU HA H 1 3.84 0.02 . 1 . . . . . . . . 4161 1 352 . 1 1 29 29 GLU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4161 1 353 . 1 1 29 29 GLU HB3 H 1 2.12 0.02 . 2 . . . . . . . . 4161 1 354 . 1 1 29 29 GLU HG2 H 1 2.25 0.02 . 2 . . . . . . . . 4161 1 355 . 1 1 29 29 GLU C C 13 178.1 0.4 . 1 . . . . . . . . 4161 1 356 . 1 1 29 29 GLU CA C 13 59.6 0.4 . 1 . . . . . . . . 4161 1 357 . 1 1 29 29 GLU CB C 13 28.6 0.4 . 1 . . . . . . . . 4161 1 358 . 1 1 29 29 GLU CG C 13 36.4 0.4 . 1 . . . . . . . . 4161 1 359 . 1 1 29 29 GLU N N 15 120.6 0.2 . 1 . . . . . . . . 4161 1 360 . 1 1 30 30 LYS H H 1 7.44 0.02 . 1 . . . . . . . . 4161 1 361 . 1 1 30 30 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 4161 1 362 . 1 1 30 30 LYS HB2 H 1 1.28 0.02 . 2 . . . . . . . . 4161 1 363 . 1 1 30 30 LYS HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4161 1 364 . 1 1 30 30 LYS HE2 H 1 2.95 0.02 . 2 . . . . . . . . 4161 1 365 . 1 1 30 30 LYS C C 13 173.8 0.4 . 1 . . . . . . . . 4161 1 366 . 1 1 30 30 LYS CA C 13 55.2 0.4 . 1 . . . . . . . . 4161 1 367 . 1 1 30 30 LYS CB C 13 33.1 0.4 . 1 . . . . . . . . 4161 1 368 . 1 1 30 30 LYS N N 15 115.7 0.2 . 1 . . . . . . . . 4161 1 369 . 1 1 31 31 LYS H H 1 7.64 0.02 . 1 . . . . . . . . 4161 1 370 . 1 1 31 31 LYS HA H 1 3.74 0.02 . 1 . . . . . . . . 4161 1 371 . 1 1 31 31 LYS HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4161 1 372 . 1 1 31 31 LYS HB3 H 1 2.49 0.02 . 2 . . . . . . . . 4161 1 373 . 1 1 31 31 LYS HG2 H 1 0.91 0.02 . 2 . . . . . . . . 4161 1 374 . 1 1 31 31 LYS C C 13 174.8 0.4 . 1 . . . . . . . . 4161 1 375 . 1 1 31 31 LYS CA C 13 57.4 0.4 . 1 . . . . . . . . 4161 1 376 . 1 1 31 31 LYS CB C 13 29.5 0.4 . 1 . . . . . . . . 4161 1 377 . 1 1 31 31 LYS N N 15 116.0 0.2 . 1 . . . . . . . . 4161 1 378 . 1 1 32 32 ILE H H 1 8.27 0.02 . 1 . . . . . . . . 4161 1 379 . 1 1 32 32 ILE HA H 1 5.41 0.02 . 1 . . . . . . . . 4161 1 380 . 1 1 32 32 ILE HB H 1 1.65 0.02 . 1 . . . . . . . . 4161 1 381 . 1 1 32 32 ILE HG12 H 1 1.80 0.02 . 2 . . . . . . . . 4161 1 382 . 1 1 32 32 ILE HG21 H 1 0.92 0.02 . 1 . . . . . . . . 4161 1 383 . 1 1 32 32 ILE HG22 H 1 0.92 0.02 . 1 . . . . . . . . 4161 1 384 . 1 1 32 32 ILE HG23 H 1 0.92 0.02 . 1 . . . . . . . . 4161 1 385 . 1 1 32 32 ILE HD11 H 1 0.90 0.02 . 1 . . . . . . . . 4161 1 386 . 1 1 32 32 ILE HD12 H 1 0.90 0.02 . 1 . . . . . . . . 4161 1 387 . 1 1 32 32 ILE HD13 H 1 0.90 0.02 . 1 . . . . . . . . 4161 1 388 . 1 1 32 32 ILE C C 13 176.8 0.4 . 1 . . . . . . . . 4161 1 389 . 1 1 32 32 ILE CA C 13 60.4 0.4 . 1 . . . . . . . . 4161 1 390 . 1 1 32 32 ILE CB C 13 39.6 0.4 . 1 . . . . . . . . 4161 1 391 . 1 1 32 32 ILE CG1 C 13 27.5 0.4 . 1 . . . . . . . . 4161 1 392 . 1 1 32 32 ILE CG2 C 13 18.2 0.4 . 1 . . . . . . . . 4161 1 393 . 1 1 32 32 ILE CD1 C 13 13.3 0.4 . 1 . . . . . . . . 4161 1 394 . 1 1 32 32 ILE N N 15 118.0 0.2 . 1 . . . . . . . . 4161 1 395 . 1 1 33 33 PHE H H 1 9.99 0.02 . 1 . . . . . . . . 4161 1 396 . 1 1 33 33 PHE HA H 1 5.60 0.02 . 1 . . . . . . . . 4161 1 397 . 1 1 33 33 PHE HB2 H 1 2.68 0.02 . 2 . . . . . . . . 4161 1 398 . 1 1 33 33 PHE HB3 H 1 2.94 0.02 . 2 . . . . . . . . 4161 1 399 . 1 1 33 33 PHE HD1 H 1 7.07 0.02 . 3 . . . . . . . . 4161 1 400 . 1 1 33 33 PHE HE1 H 1 6.95 0.02 . 3 . . . . . . . . 4161 1 401 . 1 1 33 33 PHE HZ H 1 6.75 0.02 . 1 . . . . . . . . 4161 1 402 . 1 1 33 33 PHE C C 13 170.2 0.4 . 1 . . . . . . . . 4161 1 403 . 1 1 33 33 PHE CA C 13 55.2 0.4 . 1 . . . . . . . . 4161 1 404 . 1 1 33 33 PHE CB C 13 42.8 0.4 . 1 . . . . . . . . 4161 1 405 . 1 1 33 33 PHE N N 15 128.5 0.2 . 1 . . . . . . . . 4161 1 406 . 1 1 34 34 GLN H H 1 8.75 0.02 . 1 . . . . . . . . 4161 1 407 . 1 1 34 34 GLN HA H 1 5.62 0.02 . 1 . . . . . . . . 4161 1 408 . 1 1 34 34 GLN HB2 H 1 1.84 0.02 . 2 . . . . . . . . 4161 1 409 . 1 1 34 34 GLN HB3 H 1 1.96 0.02 . 2 . . . . . . . . 4161 1 410 . 1 1 34 34 GLN HG2 H 1 2.20 0.02 . 2 . . . . . . . . 4161 1 411 . 1 1 34 34 GLN HG3 H 1 2.40 0.02 . 2 . . . . . . . . 4161 1 412 . 1 1 34 34 GLN HE21 H 1 7.39 0.02 . 2 . . . . . . . . 4161 1 413 . 1 1 34 34 GLN HE22 H 1 6.00 0.02 . 2 . . . . . . . . 4161 1 414 . 1 1 34 34 GLN C C 13 173.4 0.4 . 1 . . . . . . . . 4161 1 415 . 1 1 34 34 GLN CA C 13 52.7 0.4 . 1 . . . . . . . . 4161 1 416 . 1 1 34 34 GLN CB C 13 33.2 0.4 . 1 . . . . . . . . 4161 1 417 . 1 1 34 34 GLN CG C 13 33.6 0.4 . 1 . . . . . . . . 4161 1 418 . 1 1 34 34 GLN N N 15 117.8 0.2 . 1 . . . . . . . . 4161 1 419 . 1 1 34 34 GLN NE2 N 15 111.1 0.2 . 1 . . . . . . . . 4161 1 420 . 1 1 35 35 ILE H H 1 9.05 0.02 . 1 . . . . . . . . 4161 1 421 . 1 1 35 35 ILE HA H 1 5.12 0.02 . 1 . . . . . . . . 4161 1 422 . 1 1 35 35 ILE HB H 1 1.92 0.02 . 1 . . . . . . . . 4161 1 423 . 1 1 35 35 ILE HG12 H 1 1.56 0.02 . 2 . . . . . . . . 4161 1 424 . 1 1 35 35 ILE HG13 H 1 1.77 0.02 . 2 . . . . . . . . 4161 1 425 . 1 1 35 35 ILE HG21 H 1 1.06 0.02 . 1 . . . . . . . . 4161 1 426 . 1 1 35 35 ILE HG22 H 1 1.06 0.02 . 1 . . . . . . . . 4161 1 427 . 1 1 35 35 ILE HG23 H 1 1.06 0.02 . 1 . . . . . . . . 4161 1 428 . 1 1 35 35 ILE HD11 H 1 1.10 0.02 . 1 . . . . . . . . 4161 1 429 . 1 1 35 35 ILE HD12 H 1 1.10 0.02 . 1 . . . . . . . . 4161 1 430 . 1 1 35 35 ILE HD13 H 1 1.10 0.02 . 1 . . . . . . . . 4161 1 431 . 1 1 35 35 ILE C C 13 173.4 0.4 . 1 . . . . . . . . 4161 1 432 . 1 1 35 35 ILE CA C 13 56.4 0.4 . 1 . . . . . . . . 4161 1 433 . 1 1 35 35 ILE CB C 13 42.4 0.4 . 1 . . . . . . . . 4161 1 434 . 1 1 35 35 ILE CG1 C 13 27.6 0.4 . 1 . . . . . . . . 4161 1 435 . 1 1 35 35 ILE CG2 C 13 16.2 0.4 . 1 . . . . . . . . 4161 1 436 . 1 1 35 35 ILE CD1 C 13 14.4 0.4 . 1 . . . . . . . . 4161 1 437 . 1 1 35 35 ILE N N 15 119.0 0.2 . 1 . . . . . . . . 4161 1 438 . 1 1 36 36 PRO HA H 1 4.44 0.02 . 1 . . . . . . . . 4161 1 439 . 1 1 36 36 PRO HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4161 1 440 . 1 1 36 36 PRO HB3 H 1 2.09 0.02 . 2 . . . . . . . . 4161 1 441 . 1 1 36 36 PRO HG2 H 1 2.41 0.02 . 2 . . . . . . . . 4161 1 442 . 1 1 36 36 PRO HD2 H 1 3.60 0.02 . 2 . . . . . . . . 4161 1 443 . 1 1 36 36 PRO C C 13 176.5 0.4 . 1 . . . . . . . . 4161 1 444 . 1 1 36 36 PRO CA C 13 62.4 0.4 . 1 . . . . . . . . 4161 1 445 . 1 1 36 36 PRO CB C 13 32.0 0.4 . 1 . . . . . . . . 4161 1 446 . 1 1 36 36 PRO CG C 13 28.9 0.4 . 1 . . . . . . . . 4161 1 447 . 1 1 36 36 PRO CD C 13 51.1 0.4 . 1 . . . . . . . . 4161 1 448 . 1 1 37 37 TRP H H 1 8.44 0.02 . 1 . . . . . . . . 4161 1 449 . 1 1 37 37 TRP HA H 1 4.69 0.02 . 1 . . . . . . . . 4161 1 450 . 1 1 37 37 TRP HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4161 1 451 . 1 1 37 37 TRP HB3 H 1 3.29 0.02 . 2 . . . . . . . . 4161 1 452 . 1 1 37 37 TRP HD1 H 1 7.05 0.02 . 1 . . . . . . . . 4161 1 453 . 1 1 37 37 TRP HE1 H 1 10.27 0.02 . 1 . . . . . . . . 4161 1 454 . 1 1 37 37 TRP HE3 H 1 7.70 0.02 . 1 . . . . . . . . 4161 1 455 . 1 1 37 37 TRP HZ2 H 1 7.53 0.02 . 1 . . . . . . . . 4161 1 456 . 1 1 37 37 TRP HZ3 H 1 7.14 0.02 . 1 . . . . . . . . 4161 1 457 . 1 1 37 37 TRP HH2 H 1 7.14 0.02 . 1 . . . . . . . . 4161 1 458 . 1 1 37 37 TRP CA C 13 56.8 0.4 . 1 . . . . . . . . 4161 1 459 . 1 1 37 37 TRP CB C 13 30.5 0.4 . 1 . . . . . . . . 4161 1 460 . 1 1 37 37 TRP N N 15 126.0 0.2 . 1 . . . . . . . . 4161 1 461 . 1 1 37 37 TRP NE1 N 15 129.7 0.2 . 1 . . . . . . . . 4161 1 462 . 1 1 38 38 MET H H 1 8.20 0.02 . 1 . . . . . . . . 4161 1 463 . 1 1 38 38 MET HA H 1 4.56 0.02 . 1 . . . . . . . . 4161 1 464 . 1 1 38 38 MET HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4161 1 465 . 1 1 38 38 MET HB3 H 1 2.02 0.02 . 2 . . . . . . . . 4161 1 466 . 1 1 38 38 MET HG2 H 1 2.46 0.02 . 2 . . . . . . . . 4161 1 467 . 1 1 38 38 MET HE1 H 1 2.00 0.02 . 1 . . . . . . . . 4161 1 468 . 1 1 38 38 MET HE2 H 1 2.00 0.02 . 1 . . . . . . . . 4161 1 469 . 1 1 38 38 MET HE3 H 1 2.00 0.02 . 1 . . . . . . . . 4161 1 470 . 1 1 38 38 MET CA C 13 55.2 0.4 . 1 . . . . . . . . 4161 1 471 . 1 1 38 38 MET CB C 13 33.5 0.4 . 1 . . . . . . . . 4161 1 472 . 1 1 38 38 MET CG C 13 31.9 0.4 . 1 . . . . . . . . 4161 1 473 . 1 1 38 38 MET CE C 13 17.0 0.4 . 1 . . . . . . . . 4161 1 474 . 1 1 38 38 MET N N 15 120.7 0.2 . 1 . . . . . . . . 4161 1 475 . 1 1 39 39 HIS H H 1 8.36 0.02 . 1 . . . . . . . . 4161 1 476 . 1 1 39 39 HIS HA H 1 4.66 0.02 . 1 . . . . . . . . 4161 1 477 . 1 1 39 39 HIS HB2 H 1 3.18 0.02 . 2 . . . . . . . . 4161 1 478 . 1 1 39 39 HIS HB3 H 1 3.14 0.02 . 2 . . . . . . . . 4161 1 479 . 1 1 39 39 HIS HD2 H 1 7.21 0.02 . 1 . . . . . . . . 4161 1 480 . 1 1 39 39 HIS HE1 H 1 8.28 0.02 . 1 . . . . . . . . 4161 1 481 . 1 1 39 39 HIS CA C 13 55.5 0.4 . 1 . . . . . . . . 4161 1 482 . 1 1 39 39 HIS CB C 13 30.1 0.4 . 1 . . . . . . . . 4161 1 483 . 1 1 39 39 HIS CE1 C 13 129.9 0.4 . 1 . . . . . . . . 4161 1 484 . 1 1 39 39 HIS N N 15 122.6 0.2 . 1 . . . . . . . . 4161 1 485 . 1 1 40 40 ALA H H 1 8.44 0.02 . 1 . . . . . . . . 4161 1 486 . 1 1 40 40 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 4161 1 487 . 1 1 40 40 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 4161 1 488 . 1 1 40 40 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 4161 1 489 . 1 1 40 40 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 4161 1 490 . 1 1 40 40 ALA C C 13 176.6 0.4 . 1 . . . . . . . . 4161 1 491 . 1 1 40 40 ALA CA C 13 52.1 0.4 . 1 . . . . . . . . 4161 1 492 . 1 1 40 40 ALA CB C 13 19.1 0.4 . 1 . . . . . . . . 4161 1 493 . 1 1 40 40 ALA N N 15 125.9 0.2 . 1 . . . . . . . . 4161 1 494 . 1 1 41 41 ALA H H 1 8.32 0.02 . 1 . . . . . . . . 4161 1 495 . 1 1 41 41 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 4161 1 496 . 1 1 41 41 ALA HB1 H 1 1.28 0.02 . 1 . . . . . . . . 4161 1 497 . 1 1 41 41 ALA HB2 H 1 1.28 0.02 . 1 . . . . . . . . 4161 1 498 . 1 1 41 41 ALA HB3 H 1 1.28 0.02 . 1 . . . . . . . . 4161 1 499 . 1 1 41 41 ALA C C 13 177.2 0.4 . 1 . . . . . . . . 4161 1 500 . 1 1 41 41 ALA CA C 13 51.9 0.4 . 1 . . . . . . . . 4161 1 501 . 1 1 41 41 ALA CB C 13 19.0 0.4 . 1 . . . . . . . . 4161 1 502 . 1 1 41 41 ALA N N 15 124.1 0.2 . 1 . . . . . . . . 4161 1 503 . 1 1 42 42 ARG H H 1 8.32 0.02 . 1 . . . . . . . . 4161 1 504 . 1 1 42 42 ARG HA H 1 4.17 0.02 . 1 . . . . . . . . 4161 1 505 . 1 1 42 42 ARG HB2 H 1 1.64 0.02 . 2 . . . . . . . . 4161 1 506 . 1 1 42 42 ARG HG2 H 1 1.47 0.02 . 2 . . . . . . . . 4161 1 507 . 1 1 42 42 ARG HD2 H 1 3.05 0.02 . 2 . . . . . . . . 4161 1 508 . 1 1 42 42 ARG C C 13 175.7 0.4 . 1 . . . . . . . . 4161 1 509 . 1 1 42 42 ARG CA C 13 55.8 0.4 . 1 . . . . . . . . 4161 1 510 . 1 1 42 42 ARG CB C 13 30.5 0.4 . 1 . . . . . . . . 4161 1 511 . 1 1 42 42 ARG CD C 13 42.8 0.4 . 1 . . . . . . . . 4161 1 512 . 1 1 42 42 ARG N N 15 120.3 0.2 . 1 . . . . . . . . 4161 1 513 . 1 1 43 43 HIS H H 1 8.42 0.02 . 1 . . . . . . . . 4161 1 514 . 1 1 43 43 HIS HA H 1 4.57 0.02 . 1 . . . . . . . . 4161 1 515 . 1 1 43 43 HIS HB2 H 1 2.85 0.02 . 2 . . . . . . . . 4161 1 516 . 1 1 43 43 HIS HB3 H 1 2.93 0.02 . 2 . . . . . . . . 4161 1 517 . 1 1 43 43 HIS HD2 H 1 7.20 0.02 . 1 . . . . . . . . 4161 1 518 . 1 1 43 43 HIS HE1 H 1 8.44 0.02 . 1 . . . . . . . . 4161 1 519 . 1 1 43 43 HIS C C 13 174.9 0.4 . 1 . . . . . . . . 4161 1 520 . 1 1 43 43 HIS CA C 13 55.2 0.4 . 1 . . . . . . . . 4161 1 521 . 1 1 43 43 HIS CB C 13 29.1 0.4 . 1 . . . . . . . . 4161 1 522 . 1 1 43 43 HIS CE1 C 13 129.5 0.4 . 1 . . . . . . . . 4161 1 523 . 1 1 43 43 HIS N N 15 118.4 0.2 . 1 . . . . . . . . 4161 1 524 . 1 1 44 44 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 4161 1 525 . 1 1 44 44 GLY HA2 H 1 3.73 0.02 . 2 . . . . . . . . 4161 1 526 . 1 1 44 44 GLY HA3 H 1 3.95 0.02 . 2 . . . . . . . . 4161 1 527 . 1 1 44 44 GLY C C 13 173.5 0.4 . 1 . . . . . . . . 4161 1 528 . 1 1 44 44 GLY CA C 13 45.3 0.4 . 1 . . . . . . . . 4161 1 529 . 1 1 44 44 GLY N N 15 110.4 0.2 . 1 . . . . . . . . 4161 1 530 . 1 1 45 45 TRP H H 1 7.87 0.02 . 1 . . . . . . . . 4161 1 531 . 1 1 45 45 TRP HA H 1 4.65 0.02 . 1 . . . . . . . . 4161 1 532 . 1 1 45 45 TRP HB2 H 1 3.22 0.02 . 2 . . . . . . . . 4161 1 533 . 1 1 45 45 TRP HB3 H 1 3.25 0.02 . 2 . . . . . . . . 4161 1 534 . 1 1 45 45 TRP HD1 H 1 7.22 0.02 . 1 . . . . . . . . 4161 1 535 . 1 1 45 45 TRP HE1 H 1 10.20 0.02 . 1 . . . . . . . . 4161 1 536 . 1 1 45 45 TRP HE3 H 1 7.59 0.02 . 1 . . . . . . . . 4161 1 537 . 1 1 45 45 TRP HZ2 H 1 7.37 0.02 . 1 . . . . . . . . 4161 1 538 . 1 1 45 45 TRP HZ3 H 1 7.12 0.02 . 1 . . . . . . . . 4161 1 539 . 1 1 45 45 TRP HH2 H 1 7.16 0.02 . 1 . . . . . . . . 4161 1 540 . 1 1 45 45 TRP C C 13 175.5 0.4 . 1 . . . . . . . . 4161 1 541 . 1 1 45 45 TRP CA C 13 56.8 0.4 . 1 . . . . . . . . 4161 1 542 . 1 1 45 45 TRP CB C 13 29.3 0.4 . 1 . . . . . . . . 4161 1 543 . 1 1 45 45 TRP N N 15 120.3 0.2 . 1 . . . . . . . . 4161 1 544 . 1 1 45 45 TRP NE1 N 15 130.1 0.2 . 1 . . . . . . . . 4161 1 545 . 1 1 46 46 ASP H H 1 8.25 0.02 . 1 . . . . . . . . 4161 1 546 . 1 1 46 46 ASP HA H 1 4.56 0.02 . 1 . . . . . . . . 4161 1 547 . 1 1 46 46 ASP HB2 H 1 2.46 0.02 . 2 . . . . . . . . 4161 1 548 . 1 1 46 46 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . 4161 1 549 . 1 1 46 46 ASP C C 13 175.8 0.4 . 1 . . . . . . . . 4161 1 550 . 1 1 46 46 ASP CA C 13 53.7 0.4 . 1 . . . . . . . . 4161 1 551 . 1 1 46 46 ASP CB C 13 40.6 0.4 . 1 . . . . . . . . 4161 1 552 . 1 1 46 46 ASP N N 15 122.2 0.2 . 1 . . . . . . . . 4161 1 553 . 1 1 47 47 VAL H H 1 7.96 0.02 . 1 . . . . . . . . 4161 1 554 . 1 1 47 47 VAL HA H 1 3.98 0.02 . 1 . . . . . . . . 4161 1 555 . 1 1 47 47 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 4161 1 556 . 1 1 47 47 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 4161 1 557 . 1 1 47 47 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 4161 1 558 . 1 1 47 47 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 4161 1 559 . 1 1 47 47 VAL C C 13 175.8 0.4 . 1 . . . . . . . . 4161 1 560 . 1 1 47 47 VAL CA C 13 62.3 0.4 . 1 . . . . . . . . 4161 1 561 . 1 1 47 47 VAL CB C 13 32.4 0.4 . 1 . . . . . . . . 4161 1 562 . 1 1 47 47 VAL CG1 C 13 20.8 0.4 . 2 . . . . . . . . 4161 1 563 . 1 1 47 47 VAL N N 15 119.4 0.2 . 1 . . . . . . . . 4161 1 564 . 1 1 48 48 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 4161 1 565 . 1 1 48 48 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 4161 1 566 . 1 1 48 48 GLU HB2 H 1 1.99 0.02 . 2 . . . . . . . . 4161 1 567 . 1 1 48 48 GLU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 4161 1 568 . 1 1 48 48 GLU HG2 H 1 2.26 0.02 . 2 . . . . . . . . 4161 1 569 . 1 1 48 48 GLU C C 13 177.1 0.4 . 1 . . . . . . . . 4161 1 570 . 1 1 48 48 GLU CA C 13 56.6 0.4 . 1 . . . . . . . . 4161 1 571 . 1 1 48 48 GLU CB C 13 29.6 0.4 . 1 . . . . . . . . 4161 1 572 . 1 1 48 48 GLU N N 15 123.0 0.2 . 1 . . . . . . . . 4161 1 573 . 1 1 49 49 LYS H H 1 8.21 0.02 . 1 . . . . . . . . 4161 1 574 . 1 1 49 49 LYS HA H 1 4.14 0.02 . 1 . . . . . . . . 4161 1 575 . 1 1 49 49 LYS HB2 H 1 1.70 0.02 . 2 . . . . . . . . 4161 1 576 . 1 1 49 49 LYS HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4161 1 577 . 1 1 49 49 LYS HG2 H 1 1.37 0.02 . 2 . . . . . . . . 4161 1 578 . 1 1 49 49 LYS HE2 H 1 2.95 0.02 . 2 . . . . . . . . 4161 1 579 . 1 1 49 49 LYS C C 13 175.9 0.4 . 1 . . . . . . . . 4161 1 580 . 1 1 49 49 LYS CA C 13 57.2 0.4 . 1 . . . . . . . . 4161 1 581 . 1 1 49 49 LYS CB C 13 32.6 0.4 . 1 . . . . . . . . 4161 1 582 . 1 1 49 49 LYS N N 15 121.5 0.2 . 1 . . . . . . . . 4161 1 583 . 1 1 50 50 ASP H H 1 8.39 0.02 . 1 . . . . . . . . 4161 1 584 . 1 1 50 50 ASP HA H 1 4.48 0.02 . 1 . . . . . . . . 4161 1 585 . 1 1 50 50 ASP HB2 H 1 2.51 0.02 . 2 . . . . . . . . 4161 1 586 . 1 1 50 50 ASP C C 13 175.0 0.4 . 1 . . . . . . . . 4161 1 587 . 1 1 50 50 ASP CA C 13 53.4 0.4 . 1 . . . . . . . . 4161 1 588 . 1 1 50 50 ASP CB C 13 40.0 0.4 . 1 . . . . . . . . 4161 1 589 . 1 1 50 50 ASP N N 15 117.0 0.2 . 1 . . . . . . . . 4161 1 590 . 1 1 51 51 ALA H H 1 7.79 0.02 . 1 . . . . . . . . 4161 1 591 . 1 1 51 51 ALA HA H 1 4.42 0.02 . 1 . . . . . . . . 4161 1 592 . 1 1 51 51 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 4161 1 593 . 1 1 51 51 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 4161 1 594 . 1 1 51 51 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 4161 1 595 . 1 1 51 51 ALA C C 13 175.0 0.4 . 1 . . . . . . . . 4161 1 596 . 1 1 51 51 ALA CA C 13 52.5 0.4 . 1 . . . . . . . . 4161 1 597 . 1 1 51 51 ALA CB C 13 18.0 0.4 . 1 . . . . . . . . 4161 1 598 . 1 1 51 51 ALA N N 15 123.4 0.2 . 1 . . . . . . . . 4161 1 599 . 1 1 52 52 PRO HA H 1 4.16 0.02 . 1 . . . . . . . . 4161 1 600 . 1 1 52 52 PRO HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4161 1 601 . 1 1 52 52 PRO HB3 H 1 2.33 0.02 . 2 . . . . . . . . 4161 1 602 . 1 1 52 52 PRO HD2 H 1 3.56 0.02 . 2 . . . . . . . . 4161 1 603 . 1 1 52 52 PRO HD3 H 1 3.62 0.02 . 2 . . . . . . . . 4161 1 604 . 1 1 52 52 PRO C C 13 177.1 0.4 . 1 . . . . . . . . 4161 1 605 . 1 1 52 52 PRO CA C 13 65.3 0.4 . 1 . . . . . . . . 4161 1 606 . 1 1 52 52 PRO CB C 13 31.6 0.4 . 1 . . . . . . . . 4161 1 607 . 1 1 52 52 PRO CD C 13 50.7 0.4 . 1 . . . . . . . . 4161 1 608 . 1 1 53 53 LEU H H 1 7.75 0.02 . 1 . . . . . . . . 4161 1 609 . 1 1 53 53 LEU HA H 1 3.87 0.02 . 1 . . . . . . . . 4161 1 610 . 1 1 53 53 LEU HB2 H 1 0.88 0.02 . 2 . . . . . . . . 4161 1 611 . 1 1 53 53 LEU HB3 H 1 1.09 0.02 . 2 . . . . . . . . 4161 1 612 . 1 1 53 53 LEU HG H 1 0.97 0.02 . 1 . . . . . . . . 4161 1 613 . 1 1 53 53 LEU HD11 H 1 0.83 0.02 . 1 . . . . . . . . 4161 1 614 . 1 1 53 53 LEU HD12 H 1 0.83 0.02 . 1 . . . . . . . . 4161 1 615 . 1 1 53 53 LEU HD13 H 1 0.83 0.02 . 1 . . . . . . . . 4161 1 616 . 1 1 53 53 LEU HD21 H 1 0.60 0.02 . 1 . . . . . . . . 4161 1 617 . 1 1 53 53 LEU HD22 H 1 0.60 0.02 . 1 . . . . . . . . 4161 1 618 . 1 1 53 53 LEU HD23 H 1 0.60 0.02 . 1 . . . . . . . . 4161 1 619 . 1 1 53 53 LEU C C 13 178.1 0.4 . 1 . . . . . . . . 4161 1 620 . 1 1 53 53 LEU CA C 13 57.9 0.4 . 1 . . . . . . . . 4161 1 621 . 1 1 53 53 LEU CB C 13 41.9 0.4 . 1 . . . . . . . . 4161 1 622 . 1 1 53 53 LEU CG C 13 26.5 0.4 . 1 . . . . . . . . 4161 1 623 . 1 1 53 53 LEU CD1 C 13 23.9 0.4 . 1 . . . . . . . . 4161 1 624 . 1 1 53 53 LEU CD2 C 13 26.6 0.4 . 1 . . . . . . . . 4161 1 625 . 1 1 53 53 LEU N N 15 117.1 0.2 . 1 . . . . . . . . 4161 1 626 . 1 1 54 54 PHE H H 1 6.26 0.02 . 1 . . . . . . . . 4161 1 627 . 1 1 54 54 PHE HA H 1 4.30 0.02 . 1 . . . . . . . . 4161 1 628 . 1 1 54 54 PHE HB2 H 1 3.22 0.02 . 2 . . . . . . . . 4161 1 629 . 1 1 54 54 PHE HD1 H 1 6.89 0.02 . 3 . . . . . . . . 4161 1 630 . 1 1 54 54 PHE HE1 H 1 6.99 0.02 . 3 . . . . . . . . 4161 1 631 . 1 1 54 54 PHE C C 13 178.9 0.4 . 1 . . . . . . . . 4161 1 632 . 1 1 54 54 PHE CA C 13 57.1 0.4 . 1 . . . . . . . . 4161 1 633 . 1 1 54 54 PHE CB C 13 37.0 0.4 . 1 . . . . . . . . 4161 1 634 . 1 1 54 54 PHE N N 15 115.1 0.2 . 1 . . . . . . . . 4161 1 635 . 1 1 55 55 ARG H H 1 7.86 0.02 . 1 . . . . . . . . 4161 1 636 . 1 1 55 55 ARG HA H 1 2.87 0.02 . 1 . . . . . . . . 4161 1 637 . 1 1 55 55 ARG HB2 H 1 1.74 0.02 . 2 . . . . . . . . 4161 1 638 . 1 1 55 55 ARG HG2 H 1 1.55 0.02 . 2 . . . . . . . . 4161 1 639 . 1 1 55 55 ARG HD2 H 1 3.25 0.02 . 2 . . . . . . . . 4161 1 640 . 1 1 55 55 ARG C C 13 176.7 0.4 . 1 . . . . . . . . 4161 1 641 . 1 1 55 55 ARG CA C 13 58.8 0.4 . 1 . . . . . . . . 4161 1 642 . 1 1 55 55 ARG N N 15 122.5 0.2 . 1 . . . . . . . . 4161 1 643 . 1 1 56 56 ASN H H 1 8.82 0.02 . 1 . . . . . . . . 4161 1 644 . 1 1 56 56 ASN HA H 1 4.46 0.02 . 1 . . . . . . . . 4161 1 645 . 1 1 56 56 ASN HB2 H 1 3.17 0.02 . 2 . . . . . . . . 4161 1 646 . 1 1 56 56 ASN HD21 H 1 7.47 0.02 . 2 . . . . . . . . 4161 1 647 . 1 1 56 56 ASN HD22 H 1 7.08 0.02 . 2 . . . . . . . . 4161 1 648 . 1 1 56 56 ASN C C 13 178.7 0.4 . 1 . . . . . . . . 4161 1 649 . 1 1 56 56 ASN CA C 13 55.7 0.4 . 1 . . . . . . . . 4161 1 650 . 1 1 56 56 ASN CB C 13 32.6 0.4 . 1 . . . . . . . . 4161 1 651 . 1 1 56 56 ASN N N 15 118.3 0.2 . 1 . . . . . . . . 4161 1 652 . 1 1 56 56 ASN ND2 N 15 110.1 0.2 . 1 . . . . . . . . 4161 1 653 . 1 1 57 57 TRP H H 1 8.25 0.02 . 1 . . . . . . . . 4161 1 654 . 1 1 57 57 TRP HA H 1 3.99 0.02 . 1 . . . . . . . . 4161 1 655 . 1 1 57 57 TRP HB2 H 1 3.38 0.02 . 2 . . . . . . . . 4161 1 656 . 1 1 57 57 TRP HD1 H 1 7.44 0.02 . 1 . . . . . . . . 4161 1 657 . 1 1 57 57 TRP HE1 H 1 9.85 0.02 . 1 . . . . . . . . 4161 1 658 . 1 1 57 57 TRP HE3 H 1 4.89 0.02 . 1 . . . . . . . . 4161 1 659 . 1 1 57 57 TRP HZ2 H 1 7.25 0.02 . 1 . . . . . . . . 4161 1 660 . 1 1 57 57 TRP HZ3 H 1 6.13 0.02 . 1 . . . . . . . . 4161 1 661 . 1 1 57 57 TRP HH2 H 1 6.75 0.02 . 1 . . . . . . . . 4161 1 662 . 1 1 57 57 TRP C C 13 176.8 0.4 . 1 . . . . . . . . 4161 1 663 . 1 1 57 57 TRP CA C 13 59.5 0.4 . 1 . . . . . . . . 4161 1 664 . 1 1 57 57 TRP CB C 13 29.8 0.4 . 1 . . . . . . . . 4161 1 665 . 1 1 57 57 TRP N N 15 123.0 0.2 . 1 . . . . . . . . 4161 1 666 . 1 1 57 57 TRP NE1 N 15 128.0 0.2 . 1 . . . . . . . . 4161 1 667 . 1 1 58 58 ALA H H 1 7.38 0.02 . 1 . . . . . . . . 4161 1 668 . 1 1 58 58 ALA HA H 1 3.70 0.02 . 1 . . . . . . . . 4161 1 669 . 1 1 58 58 ALA HB1 H 1 0.68 0.02 . 1 . . . . . . . . 4161 1 670 . 1 1 58 58 ALA HB2 H 1 0.68 0.02 . 1 . . . . . . . . 4161 1 671 . 1 1 58 58 ALA HB3 H 1 0.68 0.02 . 1 . . . . . . . . 4161 1 672 . 1 1 58 58 ALA C C 13 179.0 0.4 . 1 . . . . . . . . 4161 1 673 . 1 1 58 58 ALA CA C 13 54.9 0.4 . 1 . . . . . . . . 4161 1 674 . 1 1 58 58 ALA CB C 13 16.9 0.4 . 1 . . . . . . . . 4161 1 675 . 1 1 58 58 ALA N N 15 123.6 0.2 . 1 . . . . . . . . 4161 1 676 . 1 1 59 59 ILE H H 1 8.14 0.02 . 1 . . . . . . . . 4161 1 677 . 1 1 59 59 ILE HA H 1 4.08 0.02 . 1 . . . . . . . . 4161 1 678 . 1 1 59 59 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . 4161 1 679 . 1 1 59 59 ILE HG12 H 1 1.72 0.02 . 2 . . . . . . . . 4161 1 680 . 1 1 59 59 ILE HG21 H 1 0.96 0.02 . 1 . . . . . . . . 4161 1 681 . 1 1 59 59 ILE HG22 H 1 0.96 0.02 . 1 . . . . . . . . 4161 1 682 . 1 1 59 59 ILE HG23 H 1 0.96 0.02 . 1 . . . . . . . . 4161 1 683 . 1 1 59 59 ILE HD11 H 1 0.88 0.02 . 1 . . . . . . . . 4161 1 684 . 1 1 59 59 ILE HD12 H 1 0.88 0.02 . 1 . . . . . . . . 4161 1 685 . 1 1 59 59 ILE HD13 H 1 0.88 0.02 . 1 . . . . . . . . 4161 1 686 . 1 1 59 59 ILE C C 13 179.7 0.4 . 1 . . . . . . . . 4161 1 687 . 1 1 59 59 ILE CA C 13 64.5 0.4 . 1 . . . . . . . . 4161 1 688 . 1 1 59 59 ILE CB C 13 38.7 0.4 . 1 . . . . . . . . 4161 1 689 . 1 1 59 59 ILE CG1 C 13 29.3 0.4 . 1 . . . . . . . . 4161 1 690 . 1 1 59 59 ILE CG2 C 13 16.8 0.4 . 1 . . . . . . . . 4161 1 691 . 1 1 59 59 ILE CD1 C 13 13.5 0.4 . 1 . . . . . . . . 4161 1 692 . 1 1 59 59 ILE N N 15 118.5 0.2 . 1 . . . . . . . . 4161 1 693 . 1 1 60 60 HIS H H 1 8.36 0.02 . 1 . . . . . . . . 4161 1 694 . 1 1 60 60 HIS HA H 1 4.20 0.02 . 1 . . . . . . . . 4161 1 695 . 1 1 60 60 HIS HB2 H 1 2.53 0.02 . 2 . . . . . . . . 4161 1 696 . 1 1 60 60 HIS HB3 H 1 3.15 0.02 . 2 . . . . . . . . 4161 1 697 . 1 1 60 60 HIS HD2 H 1 5.99 0.02 . 1 . . . . . . . . 4161 1 698 . 1 1 60 60 HIS HE1 H 1 8.46 0.02 . 1 . . . . . . . . 4161 1 699 . 1 1 60 60 HIS C C 13 175.6 0.4 . 1 . . . . . . . . 4161 1 700 . 1 1 60 60 HIS CA C 13 59.0 0.4 . 1 . . . . . . . . 4161 1 701 . 1 1 60 60 HIS CB C 13 29.8 0.4 . 1 . . . . . . . . 4161 1 702 . 1 1 60 60 HIS CD2 C 13 112.8 0.4 . 1 . . . . . . . . 4161 1 703 . 1 1 60 60 HIS CE1 C 13 130.6 0.4 . 1 . . . . . . . . 4161 1 704 . 1 1 60 60 HIS N N 15 121.4 0.2 . 1 . . . . . . . . 4161 1 705 . 1 1 61 61 THR H H 1 7.23 0.02 . 1 . . . . . . . . 4161 1 706 . 1 1 61 61 THR HA H 1 3.62 0.02 . 1 . . . . . . . . 4161 1 707 . 1 1 61 61 THR HB H 1 3.94 0.02 . 1 . . . . . . . . 4161 1 708 . 1 1 61 61 THR HG21 H 1 -0.18 0.02 . 1 . . . . . . . . 4161 1 709 . 1 1 61 61 THR HG22 H 1 -0.18 0.02 . 1 . . . . . . . . 4161 1 710 . 1 1 61 61 THR HG23 H 1 -0.18 0.02 . 1 . . . . . . . . 4161 1 711 . 1 1 61 61 THR C C 13 174.6 0.4 . 1 . . . . . . . . 4161 1 712 . 1 1 61 61 THR CA C 13 61.0 0.4 . 1 . . . . . . . . 4161 1 713 . 1 1 61 61 THR CB C 13 69.9 0.4 . 1 . . . . . . . . 4161 1 714 . 1 1 61 61 THR CG2 C 13 20.8 0.4 . 1 . . . . . . . . 4161 1 715 . 1 1 61 61 THR N N 15 103.1 0.2 . 1 . . . . . . . . 4161 1 716 . 1 1 62 62 GLY H H 1 7.43 0.02 . 1 . . . . . . . . 4161 1 717 . 1 1 62 62 GLY HA2 H 1 3.73 0.02 . 2 . . . . . . . . 4161 1 718 . 1 1 62 62 GLY HA3 H 1 3.93 0.02 . 2 . . . . . . . . 4161 1 719 . 1 1 62 62 GLY C C 13 173.9 0.4 . 1 . . . . . . . . 4161 1 720 . 1 1 62 62 GLY CA C 13 45.4 0.4 . 1 . . . . . . . . 4161 1 721 . 1 1 62 62 GLY N N 15 109.1 0.2 . 1 . . . . . . . . 4161 1 722 . 1 1 63 63 LYS H H 1 7.98 0.02 . 1 . . . . . . . . 4161 1 723 . 1 1 63 63 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 4161 1 724 . 1 1 63 63 LYS HB2 H 1 1.58 0.02 . 2 . . . . . . . . 4161 1 725 . 1 1 63 63 LYS HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4161 1 726 . 1 1 63 63 LYS HG2 H 1 1.22 0.02 . 2 . . . . . . . . 4161 1 727 . 1 1 63 63 LYS HG3 H 1 1.30 0.02 . 2 . . . . . . . . 4161 1 728 . 1 1 63 63 LYS HD2 H 1 1.51 0.02 . 2 . . . . . . . . 4161 1 729 . 1 1 63 63 LYS HE2 H 1 2.97 0.02 . 2 . . . . . . . . 4161 1 730 . 1 1 63 63 LYS HE3 H 1 3.14 0.02 . 2 . . . . . . . . 4161 1 731 . 1 1 63 63 LYS C C 13 175.6 0.4 . 1 . . . . . . . . 4161 1 732 . 1 1 63 63 LYS CA C 13 55.3 0.4 . 1 . . . . . . . . 4161 1 733 . 1 1 63 63 LYS CB C 13 31.9 0.4 . 1 . . . . . . . . 4161 1 734 . 1 1 63 63 LYS N N 15 118.7 0.2 . 1 . . . . . . . . 4161 1 735 . 1 1 64 64 HIS H H 1 7.07 0.02 . 1 . . . . . . . . 4161 1 736 . 1 1 64 64 HIS HA H 1 5.09 0.02 . 1 . . . . . . . . 4161 1 737 . 1 1 64 64 HIS HB2 H 1 2.27 0.02 . 2 . . . . . . . . 4161 1 738 . 1 1 64 64 HIS HB3 H 1 2.73 0.02 . 2 . . . . . . . . 4161 1 739 . 1 1 64 64 HIS HD2 H 1 6.22 0.02 . 1 . . . . . . . . 4161 1 740 . 1 1 64 64 HIS HE1 H 1 7.74 0.02 . 1 . . . . . . . . 4161 1 741 . 1 1 64 64 HIS C C 13 172.9 0.4 . 1 . . . . . . . . 4161 1 742 . 1 1 64 64 HIS CA C 13 55.3 0.4 . 1 . . . . . . . . 4161 1 743 . 1 1 64 64 HIS CB C 13 33.1 0.4 . 1 . . . . . . . . 4161 1 744 . 1 1 64 64 HIS CE1 C 13 131.6 0.4 . 1 . . . . . . . . 4161 1 745 . 1 1 64 64 HIS N N 15 117.4 0.2 . 1 . . . . . . . . 4161 1 746 . 1 1 65 65 GLN H H 1 9.53 0.02 . 1 . . . . . . . . 4161 1 747 . 1 1 65 65 GLN HA H 1 4.58 0.02 . 1 . . . . . . . . 4161 1 748 . 1 1 65 65 GLN HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4161 1 749 . 1 1 65 65 GLN HG2 H 1 2.04 0.02 . 2 . . . . . . . . 4161 1 750 . 1 1 65 65 GLN HG3 H 1 2.16 0.02 . 2 . . . . . . . . 4161 1 751 . 1 1 65 65 GLN HE21 H 1 7.64 0.02 . 2 . . . . . . . . 4161 1 752 . 1 1 65 65 GLN HE22 H 1 6.74 0.02 . 2 . . . . . . . . 4161 1 753 . 1 1 65 65 GLN C C 13 172.0 0.4 . 1 . . . . . . . . 4161 1 754 . 1 1 65 65 GLN CA C 13 51.4 0.4 . 1 . . . . . . . . 4161 1 755 . 1 1 65 65 GLN CB C 13 29.8 0.4 . 1 . . . . . . . . 4161 1 756 . 1 1 65 65 GLN CG C 13 33.5 0.4 . 1 . . . . . . . . 4161 1 757 . 1 1 65 65 GLN N N 15 128.8 0.2 . 1 . . . . . . . . 4161 1 758 . 1 1 65 65 GLN NE2 N 15 112.1 0.2 . 1 . . . . . . . . 4161 1 759 . 1 1 66 66 PRO HA H 1 4.05 0.02 . 1 . . . . . . . . 4161 1 760 . 1 1 66 66 PRO HB2 H 1 1.87 0.02 . 2 . . . . . . . . 4161 1 761 . 1 1 66 66 PRO HB3 H 1 2.28 0.02 . 2 . . . . . . . . 4161 1 762 . 1 1 66 66 PRO HD2 H 1 3.57 0.02 . 2 . . . . . . . . 4161 1 763 . 1 1 66 66 PRO HD3 H 1 3.67 0.02 . 2 . . . . . . . . 4161 1 764 . 1 1 66 66 PRO CA C 13 63.6 0.4 . 1 . . . . . . . . 4161 1 765 . 1 1 66 66 PRO CB C 13 31.8 0.4 . 1 . . . . . . . . 4161 1 766 . 1 1 66 66 PRO CD C 13 50.7 0.4 . 1 . . . . . . . . 4161 1 767 . 1 1 67 67 GLY H H 1 9.13 0.02 . 1 . . . . . . . . 4161 1 768 . 1 1 67 67 GLY HA2 H 1 3.63 0.02 . 2 . . . . . . . . 4161 1 769 . 1 1 67 67 GLY HA3 H 1 4.24 0.02 . 2 . . . . . . . . 4161 1 770 . 1 1 67 67 GLY C C 13 173.2 0.4 . 1 . . . . . . . . 4161 1 771 . 1 1 67 67 GLY CA C 13 45.1 0.4 . 1 . . . . . . . . 4161 1 772 . 1 1 67 67 GLY N N 15 114.2 0.2 . 1 . . . . . . . . 4161 1 773 . 1 1 68 68 ILE H H 1 7.77 0.02 . 1 . . . . . . . . 4161 1 774 . 1 1 68 68 ILE HA H 1 4.14 0.02 . 1 . . . . . . . . 4161 1 775 . 1 1 68 68 ILE HB H 1 1.68 0.02 . 1 . . . . . . . . 4161 1 776 . 1 1 68 68 ILE HG12 H 1 1.02 0.02 . 2 . . . . . . . . 4161 1 777 . 1 1 68 68 ILE HG13 H 1 1.29 0.02 . 2 . . . . . . . . 4161 1 778 . 1 1 68 68 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . 4161 1 779 . 1 1 68 68 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . 4161 1 780 . 1 1 68 68 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . 4161 1 781 . 1 1 68 68 ILE HD11 H 1 0.72 0.02 . 1 . . . . . . . . 4161 1 782 . 1 1 68 68 ILE HD12 H 1 0.72 0.02 . 1 . . . . . . . . 4161 1 783 . 1 1 68 68 ILE HD13 H 1 0.72 0.02 . 1 . . . . . . . . 4161 1 784 . 1 1 68 68 ILE C C 13 175.6 0.4 . 1 . . . . . . . . 4161 1 785 . 1 1 68 68 ILE CA C 13 61.7 0.4 . 1 . . . . . . . . 4161 1 786 . 1 1 68 68 ILE CB C 13 39.0 0.4 . 1 . . . . . . . . 4161 1 787 . 1 1 68 68 ILE CG1 C 13 26.9 0.4 . 1 . . . . . . . . 4161 1 788 . 1 1 68 68 ILE CG2 C 13 17.4 0.4 . 1 . . . . . . . . 4161 1 789 . 1 1 68 68 ILE CD1 C 13 11.6 0.4 . 1 . . . . . . . . 4161 1 790 . 1 1 68 68 ILE N N 15 120.7 0.2 . 1 . . . . . . . . 4161 1 791 . 1 1 69 69 ASP H H 1 7.86 0.02 . 1 . . . . . . . . 4161 1 792 . 1 1 69 69 ASP HA H 1 4.82 0.02 . 1 . . . . . . . . 4161 1 793 . 1 1 69 69 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 4161 1 794 . 1 1 69 69 ASP HB3 H 1 2.87 0.02 . 2 . . . . . . . . 4161 1 795 . 1 1 69 69 ASP C C 13 175.5 0.4 . 1 . . . . . . . . 4161 1 796 . 1 1 69 69 ASP CA C 13 53.6 0.4 . 1 . . . . . . . . 4161 1 797 . 1 1 69 69 ASP CB C 13 42.9 0.4 . 1 . . . . . . . . 4161 1 798 . 1 1 69 69 ASP N N 15 118.9 0.2 . 1 . . . . . . . . 4161 1 799 . 1 1 70 70 LYS H H 1 8.74 0.02 . 1 . . . . . . . . 4161 1 800 . 1 1 70 70 LYS HA H 1 4.61 0.02 . 1 . . . . . . . . 4161 1 801 . 1 1 70 70 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4161 1 802 . 1 1 70 70 LYS HG2 H 1 1.55 0.02 . 2 . . . . . . . . 4161 1 803 . 1 1 70 70 LYS HD2 H 1 1.69 0.02 . 2 . . . . . . . . 4161 1 804 . 1 1 70 70 LYS HE2 H 1 3.03 0.02 . 2 . . . . . . . . 4161 1 805 . 1 1 70 70 LYS C C 13 175.3 0.4 . 1 . . . . . . . . 4161 1 806 . 1 1 70 70 LYS CA C 13 54.3 0.4 . 1 . . . . . . . . 4161 1 807 . 1 1 70 70 LYS CB C 13 32.0 0.4 . 1 . . . . . . . . 4161 1 808 . 1 1 70 70 LYS CG C 13 24.1 0.4 . 1 . . . . . . . . 4161 1 809 . 1 1 70 70 LYS CD C 13 28.8 0.4 . 1 . . . . . . . . 4161 1 810 . 1 1 70 70 LYS CE C 13 42.8 0.4 . 1 . . . . . . . . 4161 1 811 . 1 1 70 70 LYS N N 15 123.4 0.2 . 1 . . . . . . . . 4161 1 812 . 1 1 71 71 PRO HA H 1 4.10 0.02 . 1 . . . . . . . . 4161 1 813 . 1 1 71 71 PRO HB2 H 1 1.73 0.02 . 2 . . . . . . . . 4161 1 814 . 1 1 71 71 PRO HB3 H 1 2.27 0.02 . 2 . . . . . . . . 4161 1 815 . 1 1 71 71 PRO HG2 H 1 2.20 0.02 . 2 . . . . . . . . 4161 1 816 . 1 1 71 71 PRO HD2 H 1 3.72 0.02 . 2 . . . . . . . . 4161 1 817 . 1 1 71 71 PRO HD3 H 1 4.14 0.02 . 2 . . . . . . . . 4161 1 818 . 1 1 71 71 PRO CA C 13 63.3 0.4 . 1 . . . . . . . . 4161 1 819 . 1 1 71 71 PRO CB C 13 32.2 0.4 . 1 . . . . . . . . 4161 1 820 . 1 1 71 71 PRO CG C 13 27.5 0.4 . 1 . . . . . . . . 4161 1 821 . 1 1 71 71 PRO CD C 13 50.6 0.4 . 1 . . . . . . . . 4161 1 822 . 1 1 72 72 ASP HA H 1 4.52 0.02 . 1 . . . . . . . . 4161 1 823 . 1 1 72 72 ASP HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4161 1 824 . 1 1 72 72 ASP HB3 H 1 2.36 0.02 . 2 . . . . . . . . 4161 1 825 . 1 1 72 72 ASP CA C 13 50.1 0.4 . 1 . . . . . . . . 4161 1 826 . 1 1 72 72 ASP CB C 13 39.5 0.4 . 1 . . . . . . . . 4161 1 827 . 1 1 73 73 PRO HA H 1 3.70 0.02 . 1 . . . . . . . . 4161 1 828 . 1 1 73 73 PRO HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4161 1 829 . 1 1 73 73 PRO HB3 H 1 2.17 0.02 . 2 . . . . . . . . 4161 1 830 . 1 1 73 73 PRO HG2 H 1 1.65 0.02 . 2 . . . . . . . . 4161 1 831 . 1 1 73 73 PRO HG3 H 1 1.82 0.02 . 2 . . . . . . . . 4161 1 832 . 1 1 73 73 PRO HD2 H 1 2.61 0.02 . 2 . . . . . . . . 4161 1 833 . 1 1 73 73 PRO HD3 H 1 3.42 0.02 . 2 . . . . . . . . 4161 1 834 . 1 1 73 73 PRO C C 13 178.2 0.4 . 1 . . . . . . . . 4161 1 835 . 1 1 73 73 PRO CA C 13 64.5 0.4 . 1 . . . . . . . . 4161 1 836 . 1 1 73 73 PRO CB C 13 31.4 0.4 . 1 . . . . . . . . 4161 1 837 . 1 1 73 73 PRO CG C 13 27.0 0.4 . 1 . . . . . . . . 4161 1 838 . 1 1 73 73 PRO CD C 13 49.6 0.4 . 1 . . . . . . . . 4161 1 839 . 1 1 74 74 LYS H H 1 8.24 0.02 . 1 . . . . . . . . 4161 1 840 . 1 1 74 74 LYS HA H 1 3.85 0.02 . 1 . . . . . . . . 4161 1 841 . 1 1 74 74 LYS HB2 H 1 1.37 0.02 . 2 . . . . . . . . 4161 1 842 . 1 1 74 74 LYS HB3 H 1 1.71 0.02 . 2 . . . . . . . . 4161 1 843 . 1 1 74 74 LYS HE2 H 1 3.80 0.02 . 2 . . . . . . . . 4161 1 844 . 1 1 74 74 LYS C C 13 179.3 0.4 . 1 . . . . . . . . 4161 1 845 . 1 1 74 74 LYS CA C 13 59.6 0.4 . 1 . . . . . . . . 4161 1 846 . 1 1 74 74 LYS CB C 13 31.5 0.4 . 1 . . . . . . . . 4161 1 847 . 1 1 74 74 LYS N N 15 119.1 0.2 . 1 . . . . . . . . 4161 1 848 . 1 1 75 75 THR H H 1 6.94 0.02 . 1 . . . . . . . . 4161 1 849 . 1 1 75 75 THR HA H 1 3.92 0.02 . 1 . . . . . . . . 4161 1 850 . 1 1 75 75 THR HB H 1 3.78 0.02 . 1 . . . . . . . . 4161 1 851 . 1 1 75 75 THR HG21 H 1 1.27 0.02 . 1 . . . . . . . . 4161 1 852 . 1 1 75 75 THR HG22 H 1 1.27 0.02 . 1 . . . . . . . . 4161 1 853 . 1 1 75 75 THR HG23 H 1 1.27 0.02 . 1 . . . . . . . . 4161 1 854 . 1 1 75 75 THR C C 13 175.8 0.4 . 1 . . . . . . . . 4161 1 855 . 1 1 75 75 THR CA C 13 65.5 0.4 . 1 . . . . . . . . 4161 1 856 . 1 1 75 75 THR CB C 13 67.1 0.4 . 1 . . . . . . . . 4161 1 857 . 1 1 75 75 THR CG2 C 13 22.5 0.4 . 1 . . . . . . . . 4161 1 858 . 1 1 75 75 THR N N 15 119.2 0.2 . 1 . . . . . . . . 4161 1 859 . 1 1 76 76 TRP H H 1 8.14 0.02 . 1 . . . . . . . . 4161 1 860 . 1 1 76 76 TRP HA H 1 4.73 0.02 . 1 . . . . . . . . 4161 1 861 . 1 1 76 76 TRP HB2 H 1 3.10 0.02 . 2 . . . . . . . . 4161 1 862 . 1 1 76 76 TRP HB3 H 1 3.33 0.02 . 2 . . . . . . . . 4161 1 863 . 1 1 76 76 TRP HD1 H 1 7.03 0.02 . 1 . . . . . . . . 4161 1 864 . 1 1 76 76 TRP HE1 H 1 10.22 0.02 . 1 . . . . . . . . 4161 1 865 . 1 1 76 76 TRP HE3 H 1 7.63 0.02 . 1 . . . . . . . . 4161 1 866 . 1 1 76 76 TRP HZ2 H 1 6.20 0.02 . 1 . . . . . . . . 4161 1 867 . 1 1 76 76 TRP HZ3 H 1 7.13 0.02 . 1 . . . . . . . . 4161 1 868 . 1 1 76 76 TRP HH2 H 1 6.71 0.02 . 1 . . . . . . . . 4161 1 869 . 1 1 76 76 TRP C C 13 174.5 0.4 . 1 . . . . . . . . 4161 1 870 . 1 1 76 76 TRP CA C 13 57.1 0.4 . 1 . . . . . . . . 4161 1 871 . 1 1 76 76 TRP CB C 13 28.6 0.4 . 1 . . . . . . . . 4161 1 872 . 1 1 76 76 TRP N N 15 121.4 0.2 . 1 . . . . . . . . 4161 1 873 . 1 1 76 76 TRP NE1 N 15 128.2 0.2 . 1 . . . . . . . . 4161 1 874 . 1 1 77 77 LYS H H 1 8.27 0.02 . 1 . . . . . . . . 4161 1 875 . 1 1 77 77 LYS HA H 1 3.11 0.02 . 1 . . . . . . . . 4161 1 876 . 1 1 77 77 LYS HB2 H 1 1.41 0.02 . 2 . . . . . . . . 4161 1 877 . 1 1 77 77 LYS HB3 H 1 1.66 0.02 . 2 . . . . . . . . 4161 1 878 . 1 1 77 77 LYS HE2 H 1 2.82 0.02 . 2 . . . . . . . . 4161 1 879 . 1 1 77 77 LYS C C 13 176.4 0.4 . 1 . . . . . . . . 4161 1 880 . 1 1 77 77 LYS CA C 13 59.7 0.4 . 1 . . . . . . . . 4161 1 881 . 1 1 77 77 LYS CB C 13 31.9 0.4 . 1 . . . . . . . . 4161 1 882 . 1 1 77 77 LYS N N 15 122.0 0.2 . 1 . . . . . . . . 4161 1 883 . 1 1 78 78 ALA H H 1 7.48 0.02 . 1 . . . . . . . . 4161 1 884 . 1 1 78 78 ALA HA H 1 4.07 0.02 . 1 . . . . . . . . 4161 1 885 . 1 1 78 78 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . 4161 1 886 . 1 1 78 78 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . 4161 1 887 . 1 1 78 78 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . 4161 1 888 . 1 1 78 78 ALA C C 13 179.7 0.4 . 1 . . . . . . . . 4161 1 889 . 1 1 78 78 ALA CA C 13 55.2 0.4 . 1 . . . . . . . . 4161 1 890 . 1 1 78 78 ALA CB C 13 17.7 0.4 . 1 . . . . . . . . 4161 1 891 . 1 1 78 78 ALA N N 15 121.8 0.2 . 1 . . . . . . . . 4161 1 892 . 1 1 79 79 ASN H H 1 8.96 0.02 . 1 . . . . . . . . 4161 1 893 . 1 1 79 79 ASN HA H 1 4.54 0.02 . 1 . . . . . . . . 4161 1 894 . 1 1 79 79 ASN HB2 H 1 2.92 0.02 . 2 . . . . . . . . 4161 1 895 . 1 1 79 79 ASN HB3 H 1 3.10 0.02 . 2 . . . . . . . . 4161 1 896 . 1 1 79 79 ASN HD21 H 1 8.09 0.02 . 2 . . . . . . . . 4161 1 897 . 1 1 79 79 ASN HD22 H 1 7.11 0.02 . 2 . . . . . . . . 4161 1 898 . 1 1 79 79 ASN C C 13 178.1 0.4 . 1 . . . . . . . . 4161 1 899 . 1 1 79 79 ASN CA C 13 55.4 0.4 . 1 . . . . . . . . 4161 1 900 . 1 1 79 79 ASN CB C 13 37.8 0.4 . 1 . . . . . . . . 4161 1 901 . 1 1 79 79 ASN N N 15 117.0 0.2 . 1 . . . . . . . . 4161 1 902 . 1 1 79 79 ASN ND2 N 15 111.6 0.2 . 1 . . . . . . . . 4161 1 903 . 1 1 80 80 PHE H H 1 8.20 0.02 . 1 . . . . . . . . 4161 1 904 . 1 1 80 80 PHE HA H 1 3.80 0.02 . 1 . . . . . . . . 4161 1 905 . 1 1 80 80 PHE HB2 H 1 3.18 0.02 . 2 . . . . . . . . 4161 1 906 . 1 1 80 80 PHE HB3 H 1 3.39 0.02 . 2 . . . . . . . . 4161 1 907 . 1 1 80 80 PHE HD1 H 1 6.94 0.02 . 3 . . . . . . . . 4161 1 908 . 1 1 80 80 PHE HE1 H 1 7.20 0.02 . 3 . . . . . . . . 4161 1 909 . 1 1 80 80 PHE HZ H 1 7.13 0.02 . 1 . . . . . . . . 4161 1 910 . 1 1 80 80 PHE C C 13 175.8 0.4 . 1 . . . . . . . . 4161 1 911 . 1 1 80 80 PHE CA C 13 61.8 0.4 . 1 . . . . . . . . 4161 1 912 . 1 1 80 80 PHE CB C 13 39.7 0.4 . 1 . . . . . . . . 4161 1 913 . 1 1 80 80 PHE N N 15 122.2 0.2 . 1 . . . . . . . . 4161 1 914 . 1 1 81 81 ARG H H 1 8.41 0.02 . 1 . . . . . . . . 4161 1 915 . 1 1 81 81 ARG HA H 1 3.78 0.02 . 1 . . . . . . . . 4161 1 916 . 1 1 81 81 ARG HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4161 1 917 . 1 1 81 81 ARG HB3 H 1 1.98 0.02 . 2 . . . . . . . . 4161 1 918 . 1 1 81 81 ARG HG2 H 1 1.75 0.02 . 2 . . . . . . . . 4161 1 919 . 1 1 81 81 ARG HD2 H 1 2.99 0.02 . 2 . . . . . . . . 4161 1 920 . 1 1 81 81 ARG C C 13 177.8 0.4 . 1 . . . . . . . . 4161 1 921 . 1 1 81 81 ARG CA C 13 60.0 0.4 . 1 . . . . . . . . 4161 1 922 . 1 1 81 81 ARG CB C 13 29.4 0.4 . 1 . . . . . . . . 4161 1 923 . 1 1 81 81 ARG N N 15 118.7 0.2 . 1 . . . . . . . . 4161 1 924 . 1 1 82 82 CYS H H 1 8.13 0.02 . 1 . . . . . . . . 4161 1 925 . 1 1 82 82 CYS HA H 1 4.16 0.02 . 1 . . . . . . . . 4161 1 926 . 1 1 82 82 CYS HB2 H 1 3.03 0.02 . 2 . . . . . . . . 4161 1 927 . 1 1 82 82 CYS C C 13 174.8 0.4 . 1 . . . . . . . . 4161 1 928 . 1 1 82 82 CYS CA C 13 62.3 0.4 . 1 . . . . . . . . 4161 1 929 . 1 1 82 82 CYS CB C 13 26.2 0.4 . 1 . . . . . . . . 4161 1 930 . 1 1 82 82 CYS N N 15 117.0 0.2 . 1 . . . . . . . . 4161 1 931 . 1 1 83 83 ALA H H 1 7.70 0.02 . 1 . . . . . . . . 4161 1 932 . 1 1 83 83 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 4161 1 933 . 1 1 83 83 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 4161 1 934 . 1 1 83 83 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 4161 1 935 . 1 1 83 83 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 4161 1 936 . 1 1 83 83 ALA C C 13 179.8 0.4 . 1 . . . . . . . . 4161 1 937 . 1 1 83 83 ALA CA C 13 54.8 0.4 . 1 . . . . . . . . 4161 1 938 . 1 1 83 83 ALA CB C 13 17.6 0.4 . 1 . . . . . . . . 4161 1 939 . 1 1 83 83 ALA N N 15 122.9 0.2 . 1 . . . . . . . . 4161 1 940 . 1 1 84 84 MET H H 1 8.05 0.02 . 1 . . . . . . . . 4161 1 941 . 1 1 84 84 MET HA H 1 3.92 0.02 . 1 . . . . . . . . 4161 1 942 . 1 1 84 84 MET HB2 H 1 1.62 0.02 . 2 . . . . . . . . 4161 1 943 . 1 1 84 84 MET HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4161 1 944 . 1 1 84 84 MET HG2 H 1 1.98 0.02 . 2 . . . . . . . . 4161 1 945 . 1 1 84 84 MET HG3 H 1 2.11 0.02 . 2 . . . . . . . . 4161 1 946 . 1 1 84 84 MET HE1 H 1 1.38 0.02 . 1 . . . . . . . . 4161 1 947 . 1 1 84 84 MET HE2 H 1 1.38 0.02 . 1 . . . . . . . . 4161 1 948 . 1 1 84 84 MET HE3 H 1 1.38 0.02 . 1 . . . . . . . . 4161 1 949 . 1 1 84 84 MET C C 13 178.1 0.4 . 1 . . . . . . . . 4161 1 950 . 1 1 84 84 MET CA C 13 57.5 0.4 . 1 . . . . . . . . 4161 1 951 . 1 1 84 84 MET CB C 13 31.7 0.4 . 1 . . . . . . . . 4161 1 952 . 1 1 84 84 MET CG C 13 32.9 0.4 . 1 . . . . . . . . 4161 1 953 . 1 1 84 84 MET CE C 13 16.9 0.4 . 1 . . . . . . . . 4161 1 954 . 1 1 84 84 MET N N 15 117.7 0.2 . 1 . . . . . . . . 4161 1 955 . 1 1 85 85 ASN H H 1 8.01 0.02 . 1 . . . . . . . . 4161 1 956 . 1 1 85 85 ASN HA H 1 4.64 0.02 . 1 . . . . . . . . 4161 1 957 . 1 1 85 85 ASN HB2 H 1 2.93 0.02 . 2 . . . . . . . . 4161 1 958 . 1 1 85 85 ASN HD21 H 1 7.63 0.02 . 2 . . . . . . . . 4161 1 959 . 1 1 85 85 ASN HD22 H 1 6.79 0.02 . 2 . . . . . . . . 4161 1 960 . 1 1 85 85 ASN C C 13 175.6 0.4 . 1 . . . . . . . . 4161 1 961 . 1 1 85 85 ASN CA C 13 54.4 0.4 . 1 . . . . . . . . 4161 1 962 . 1 1 85 85 ASN CB C 13 38.6 0.4 . 1 . . . . . . . . 4161 1 963 . 1 1 85 85 ASN N N 15 115.6 0.2 . 1 . . . . . . . . 4161 1 964 . 1 1 85 85 ASN ND2 N 15 111.5 0.2 . 1 . . . . . . . . 4161 1 965 . 1 1 86 86 SER H H 1 7.53 0.02 . 1 . . . . . . . . 4161 1 966 . 1 1 86 86 SER HA H 1 4.59 0.02 . 1 . . . . . . . . 4161 1 967 . 1 1 86 86 SER HB2 H 1 4.02 0.02 . 2 . . . . . . . . 4161 1 968 . 1 1 86 86 SER C C 13 173.6 0.4 . 1 . . . . . . . . 4161 1 969 . 1 1 86 86 SER CA C 13 58.3 0.4 . 1 . . . . . . . . 4161 1 970 . 1 1 86 86 SER CB C 13 64.0 0.4 . 1 . . . . . . . . 4161 1 971 . 1 1 86 86 SER N N 15 113.1 0.2 . 1 . . . . . . . . 4161 1 972 . 1 1 87 87 LEU H H 1 7.48 0.02 . 1 . . . . . . . . 4161 1 973 . 1 1 87 87 LEU HA H 1 4.72 0.02 . 1 . . . . . . . . 4161 1 974 . 1 1 87 87 LEU HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4161 1 975 . 1 1 87 87 LEU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4161 1 976 . 1 1 87 87 LEU HG H 1 2.02 0.02 . 1 . . . . . . . . 4161 1 977 . 1 1 87 87 LEU HD11 H 1 0.96 0.02 . 1 . . . . . . . . 4161 1 978 . 1 1 87 87 LEU HD12 H 1 0.96 0.02 . 1 . . . . . . . . 4161 1 979 . 1 1 87 87 LEU HD13 H 1 0.96 0.02 . 1 . . . . . . . . 4161 1 980 . 1 1 87 87 LEU HD21 H 1 0.97 0.02 . 1 . . . . . . . . 4161 1 981 . 1 1 87 87 LEU HD22 H 1 0.97 0.02 . 1 . . . . . . . . 4161 1 982 . 1 1 87 87 LEU HD23 H 1 0.97 0.02 . 1 . . . . . . . . 4161 1 983 . 1 1 87 87 LEU C C 13 175.7 0.4 . 1 . . . . . . . . 4161 1 984 . 1 1 87 87 LEU CA C 13 52.6 0.4 . 1 . . . . . . . . 4161 1 985 . 1 1 87 87 LEU CB C 13 41.6 0.4 . 1 . . . . . . . . 4161 1 986 . 1 1 87 87 LEU CG C 13 26.5 0.4 . 1 . . . . . . . . 4161 1 987 . 1 1 87 87 LEU CD1 C 13 26.5 0.4 . 1 . . . . . . . . 4161 1 988 . 1 1 87 87 LEU CD2 C 13 23.7 0.4 . 1 . . . . . . . . 4161 1 989 . 1 1 87 87 LEU N N 15 124.5 0.2 . 1 . . . . . . . . 4161 1 990 . 1 1 88 88 PRO HA H 1 4.67 0.02 . 1 . . . . . . . . 4161 1 991 . 1 1 88 88 PRO HB2 H 1 2.01 0.02 . 2 . . . . . . . . 4161 1 992 . 1 1 88 88 PRO HB3 H 1 2.33 0.02 . 2 . . . . . . . . 4161 1 993 . 1 1 88 88 PRO HG2 H 1 2.01 0.02 . 2 . . . . . . . . 4161 1 994 . 1 1 88 88 PRO HG3 H 1 2.15 0.02 . 2 . . . . . . . . 4161 1 995 . 1 1 88 88 PRO HD2 H 1 3.93 0.02 . 2 . . . . . . . . 4161 1 996 . 1 1 88 88 PRO HD3 H 1 4.14 0.02 . 2 . . . . . . . . 4161 1 997 . 1 1 88 88 PRO C C 13 176.8 0.4 . 1 . . . . . . . . 4161 1 998 . 1 1 88 88 PRO CA C 13 63.4 0.4 . 1 . . . . . . . . 4161 1 999 . 1 1 88 88 PRO CB C 13 31.9 0.4 . 1 . . . . . . . . 4161 1 1000 . 1 1 88 88 PRO CG C 13 27.0 0.4 . 1 . . . . . . . . 4161 1 1001 . 1 1 88 88 PRO CD C 13 50.5 0.4 . 1 . . . . . . . . 4161 1 1002 . 1 1 89 89 ASP H H 1 8.77 0.02 . 1 . . . . . . . . 4161 1 1003 . 1 1 89 89 ASP HA H 1 4.64 0.02 . 1 . . . . . . . . 4161 1 1004 . 1 1 89 89 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 4161 1 1005 . 1 1 89 89 ASP HB3 H 1 2.93 0.02 . 2 . . . . . . . . 4161 1 1006 . 1 1 89 89 ASP C C 13 174.3 0.4 . 1 . . . . . . . . 4161 1 1007 . 1 1 89 89 ASP CA C 13 53.2 0.4 . 1 . . . . . . . . 4161 1 1008 . 1 1 89 89 ASP CB C 13 39.6 0.4 . 1 . . . . . . . . 4161 1 1009 . 1 1 89 89 ASP N N 15 115.0 0.2 . 1 . . . . . . . . 4161 1 1010 . 1 1 90 90 ILE H H 1 7.23 0.02 . 1 . . . . . . . . 4161 1 1011 . 1 1 90 90 ILE HA H 1 5.16 0.02 . 1 . . . . . . . . 4161 1 1012 . 1 1 90 90 ILE HB H 1 1.81 0.02 . 1 . . . . . . . . 4161 1 1013 . 1 1 90 90 ILE HG12 H 1 1.21 0.02 . 2 . . . . . . . . 4161 1 1014 . 1 1 90 90 ILE HG13 H 1 1.67 0.02 . 2 . . . . . . . . 4161 1 1015 . 1 1 90 90 ILE HG21 H 1 0.95 0.02 . 1 . . . . . . . . 4161 1 1016 . 1 1 90 90 ILE HG22 H 1 0.95 0.02 . 1 . . . . . . . . 4161 1 1017 . 1 1 90 90 ILE HG23 H 1 0.95 0.02 . 1 . . . . . . . . 4161 1 1018 . 1 1 90 90 ILE HD11 H 1 0.71 0.02 . 1 . . . . . . . . 4161 1 1019 . 1 1 90 90 ILE HD12 H 1 0.71 0.02 . 1 . . . . . . . . 4161 1 1020 . 1 1 90 90 ILE HD13 H 1 0.71 0.02 . 1 . . . . . . . . 4161 1 1021 . 1 1 90 90 ILE C C 13 173.8 0.4 . 1 . . . . . . . . 4161 1 1022 . 1 1 90 90 ILE CA C 13 60.5 0.4 . 1 . . . . . . . . 4161 1 1023 . 1 1 90 90 ILE CB C 13 40.9 0.4 . 1 . . . . . . . . 4161 1 1024 . 1 1 90 90 ILE CG1 C 13 26.6 0.4 . 1 . . . . . . . . 4161 1 1025 . 1 1 90 90 ILE CG2 C 13 18.0 0.4 . 1 . . . . . . . . 4161 1 1026 . 1 1 90 90 ILE CD1 C 13 13.7 0.4 . 1 . . . . . . . . 4161 1 1027 . 1 1 90 90 ILE N N 15 116.0 0.2 . 1 . . . . . . . . 4161 1 1028 . 1 1 91 91 GLU H H 1 8.81 0.02 . 1 . . . . . . . . 4161 1 1029 . 1 1 91 91 GLU HA H 1 4.92 0.02 . 1 . . . . . . . . 4161 1 1030 . 1 1 91 91 GLU HB2 H 1 1.99 0.02 . 2 . . . . . . . . 4161 1 1031 . 1 1 91 91 GLU HG2 H 1 2.20 0.02 . 2 . . . . . . . . 4161 1 1032 . 1 1 91 91 GLU C C 13 174.3 0.4 . 1 . . . . . . . . 4161 1 1033 . 1 1 91 91 GLU CA C 13 54.1 0.4 . 1 . . . . . . . . 4161 1 1034 . 1 1 91 91 GLU CB C 13 33.6 0.4 . 1 . . . . . . . . 4161 1 1035 . 1 1 91 91 GLU CG C 13 35.6 0.4 . 1 . . . . . . . . 4161 1 1036 . 1 1 91 91 GLU N N 15 123.3 0.2 . 1 . . . . . . . . 4161 1 1037 . 1 1 92 92 GLU H H 1 9.04 0.02 . 1 . . . . . . . . 4161 1 1038 . 1 1 92 92 GLU HA H 1 3.79 0.02 . 1 . . . . . . . . 4161 1 1039 . 1 1 92 92 GLU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 4161 1 1040 . 1 1 92 92 GLU HB3 H 1 1.62 0.02 . 2 . . . . . . . . 4161 1 1041 . 1 1 92 92 GLU HG2 H 1 2.21 0.02 . 2 . . . . . . . . 4161 1 1042 . 1 1 92 92 GLU C C 13 175.7 0.4 . 1 . . . . . . . . 4161 1 1043 . 1 1 92 92 GLU CA C 13 56.3 0.4 . 1 . . . . . . . . 4161 1 1044 . 1 1 92 92 GLU CB C 13 29.2 0.4 . 1 . . . . . . . . 4161 1 1045 . 1 1 92 92 GLU N N 15 127.4 0.2 . 1 . . . . . . . . 4161 1 1046 . 1 1 93 93 VAL H H 1 8.64 0.02 . 1 . . . . . . . . 4161 1 1047 . 1 1 93 93 VAL HA H 1 3.92 0.02 . 1 . . . . . . . . 4161 1 1048 . 1 1 93 93 VAL HB H 1 1.68 0.02 . 1 . . . . . . . . 4161 1 1049 . 1 1 93 93 VAL HG11 H 1 0.77 0.02 . 1 . . . . . . . . 4161 1 1050 . 1 1 93 93 VAL HG12 H 1 0.77 0.02 . 1 . . . . . . . . 4161 1 1051 . 1 1 93 93 VAL HG13 H 1 0.77 0.02 . 1 . . . . . . . . 4161 1 1052 . 1 1 93 93 VAL HG21 H 1 0.80 0.02 . 1 . . . . . . . . 4161 1 1053 . 1 1 93 93 VAL HG22 H 1 0.80 0.02 . 1 . . . . . . . . 4161 1 1054 . 1 1 93 93 VAL HG23 H 1 0.80 0.02 . 1 . . . . . . . . 4161 1 1055 . 1 1 93 93 VAL C C 13 175.4 0.4 . 1 . . . . . . . . 4161 1 1056 . 1 1 93 93 VAL CA C 13 61.6 0.4 . 1 . . . . . . . . 4161 1 1057 . 1 1 93 93 VAL CB C 13 31.4 0.4 . 1 . . . . . . . . 4161 1 1058 . 1 1 93 93 VAL CG1 C 13 20.9 0.4 . 1 . . . . . . . . 4161 1 1059 . 1 1 93 93 VAL CG2 C 13 21.1 0.4 . 1 . . . . . . . . 4161 1 1060 . 1 1 93 93 VAL N N 15 129.2 0.2 . 1 . . . . . . . . 4161 1 1061 . 1 1 94 94 LYS H H 1 8.47 0.02 . 1 . . . . . . . . 4161 1 1062 . 1 1 94 94 LYS HA H 1 4.24 0.02 . 1 . . . . . . . . 4161 1 1063 . 1 1 94 94 LYS HB2 H 1 1.59 0.02 . 2 . . . . . . . . 4161 1 1064 . 1 1 94 94 LYS HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4161 1 1065 . 1 1 94 94 LYS HG2 H 1 0.78 0.02 . 2 . . . . . . . . 4161 1 1066 . 1 1 94 94 LYS HD2 H 1 1.49 0.02 . 2 . . . . . . . . 4161 1 1067 . 1 1 94 94 LYS HE2 H 1 3.04 0.02 . 2 . . . . . . . . 4161 1 1068 . 1 1 94 94 LYS C C 13 175.5 0.4 . 1 . . . . . . . . 4161 1 1069 . 1 1 94 94 LYS CA C 13 56.0 0.4 . 1 . . . . . . . . 4161 1 1070 . 1 1 94 94 LYS CB C 13 32.4 0.4 . 1 . . . . . . . . 4161 1 1071 . 1 1 94 94 LYS N N 15 127.3 0.2 . 1 . . . . . . . . 4161 1 1072 . 1 1 95 95 ASP H H 1 8.00 0.02 . 1 . . . . . . . . 4161 1 1073 . 1 1 95 95 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 4161 1 1074 . 1 1 95 95 ASP HB2 H 1 2.63 0.02 . 2 . . . . . . . . 4161 1 1075 . 1 1 95 95 ASP C C 13 176.2 0.4 . 1 . . . . . . . . 4161 1 1076 . 1 1 95 95 ASP CA C 13 53.8 0.4 . 1 . . . . . . . . 4161 1 1077 . 1 1 95 95 ASP CB C 13 41.2 0.4 . 1 . . . . . . . . 4161 1 1078 . 1 1 95 95 ASP N N 15 120.9 0.2 . 1 . . . . . . . . 4161 1 1079 . 1 1 96 96 ARG H H 1 8.42 0.02 . 1 . . . . . . . . 4161 1 1080 . 1 1 96 96 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 4161 1 1081 . 1 1 96 96 ARG HB2 H 1 1.73 0.02 . 2 . . . . . . . . 4161 1 1082 . 1 1 96 96 ARG HB3 H 1 1.93 0.02 . 2 . . . . . . . . 4161 1 1083 . 1 1 96 96 ARG HG2 H 1 1.64 0.02 . 2 . . . . . . . . 4161 1 1084 . 1 1 96 96 ARG HD2 H 1 3.13 0.02 . 2 . . . . . . . . 4161 1 1085 . 1 1 96 96 ARG C C 13 176.5 0.4 . 1 . . . . . . . . 4161 1 1086 . 1 1 96 96 ARG CA C 13 56.4 0.4 . 1 . . . . . . . . 4161 1 1087 . 1 1 96 96 ARG CB C 13 29.9 0.4 . 1 . . . . . . . . 4161 1 1088 . 1 1 96 96 ARG CG C 13 26.9 0.4 . 1 . . . . . . . . 4161 1 1089 . 1 1 96 96 ARG CD C 13 42.9 0.4 . 1 . . . . . . . . 4161 1 1090 . 1 1 96 96 ARG N N 15 122.6 0.2 . 1 . . . . . . . . 4161 1 1091 . 1 1 97 97 SER H H 1 8.37 0.02 . 1 . . . . . . . . 4161 1 1092 . 1 1 97 97 SER HA H 1 4.31 0.02 . 1 . . . . . . . . 4161 1 1093 . 1 1 97 97 SER HB2 H 1 3.87 0.02 . 2 . . . . . . . . 4161 1 1094 . 1 1 97 97 SER C C 13 174.1 0.4 . 1 . . . . . . . . 4161 1 1095 . 1 1 97 97 SER CA C 13 59.3 0.4 . 1 . . . . . . . . 4161 1 1096 . 1 1 97 97 SER CB C 13 63.3 0.4 . 1 . . . . . . . . 4161 1 1097 . 1 1 97 97 SER N N 15 116.2 0.2 . 1 . . . . . . . . 4161 1 1098 . 1 1 98 98 ILE H H 1 7.73 0.02 . 1 . . . . . . . . 4161 1 1099 . 1 1 98 98 ILE HA H 1 4.13 0.02 . 1 . . . . . . . . 4161 1 1100 . 1 1 98 98 ILE HB H 1 1.83 0.02 . 1 . . . . . . . . 4161 1 1101 . 1 1 98 98 ILE HG12 H 1 1.15 0.02 . 2 . . . . . . . . 4161 1 1102 . 1 1 98 98 ILE HG13 H 1 1.44 0.02 . 2 . . . . . . . . 4161 1 1103 . 1 1 98 98 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . 4161 1 1104 . 1 1 98 98 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . 4161 1 1105 . 1 1 98 98 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . 4161 1 1106 . 1 1 98 98 ILE HD11 H 1 0.82 0.02 . 1 . . . . . . . . 4161 1 1107 . 1 1 98 98 ILE HD12 H 1 0.82 0.02 . 1 . . . . . . . . 4161 1 1108 . 1 1 98 98 ILE HD13 H 1 0.82 0.02 . 1 . . . . . . . . 4161 1 1109 . 1 1 98 98 ILE C C 13 175.6 0.4 . 1 . . . . . . . . 4161 1 1110 . 1 1 98 98 ILE CA C 13 61.0 0.4 . 1 . . . . . . . . 4161 1 1111 . 1 1 98 98 ILE CB C 13 38.2 0.4 . 1 . . . . . . . . 4161 1 1112 . 1 1 98 98 ILE CG1 C 13 27.3 0.4 . 1 . . . . . . . . 4161 1 1113 . 1 1 98 98 ILE CG2 C 13 17.0 0.4 . 1 . . . . . . . . 4161 1 1114 . 1 1 98 98 ILE CD1 C 13 12.6 0.4 . 1 . . . . . . . . 4161 1 1115 . 1 1 98 98 ILE N N 15 122.0 0.2 . 1 . . . . . . . . 4161 1 1116 . 1 1 99 99 LYS H H 1 8.23 0.02 . 1 . . . . . . . . 4161 1 1117 . 1 1 99 99 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 4161 1 1118 . 1 1 99 99 LYS HB2 H 1 1.71 0.02 . 2 . . . . . . . . 4161 1 1119 . 1 1 99 99 LYS HG2 H 1 0.80 0.02 . 2 . . . . . . . . 4161 1 1120 . 1 1 99 99 LYS HD2 H 1 1.34 0.02 . 2 . . . . . . . . 4161 1 1121 . 1 1 99 99 LYS HE2 H 1 2.91 0.02 . 2 . . . . . . . . 4161 1 1122 . 1 1 99 99 LYS C C 13 175.9 0.4 . 1 . . . . . . . . 4161 1 1123 . 1 1 99 99 LYS CA C 13 56.0 0.4 . 1 . . . . . . . . 4161 1 1124 . 1 1 99 99 LYS CB C 13 32.6 0.4 . 1 . . . . . . . . 4161 1 1125 . 1 1 99 99 LYS N N 15 124.8 0.2 . 1 . . . . . . . . 4161 1 1126 . 1 1 100 100 LYS H H 1 8.19 0.02 . 1 . . . . . . . . 4161 1 1127 . 1 1 100 100 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 4161 1 1128 . 1 1 100 100 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4161 1 1129 . 1 1 100 100 LYS HG2 H 1 1.40 0.02 . 2 . . . . . . . . 4161 1 1130 . 1 1 100 100 LYS HD2 H 1 1.62 0.02 . 2 . . . . . . . . 4161 1 1131 . 1 1 100 100 LYS HE2 H 1 2.93 0.02 . 2 . . . . . . . . 4161 1 1132 . 1 1 100 100 LYS C C 13 176.6 0.4 . 1 . . . . . . . . 4161 1 1133 . 1 1 100 100 LYS CA C 13 56.1 0.4 . 1 . . . . . . . . 4161 1 1134 . 1 1 100 100 LYS CB C 13 32.8 0.4 . 1 . . . . . . . . 4161 1 1135 . 1 1 100 100 LYS CG C 13 24.8 0.4 . 1 . . . . . . . . 4161 1 1136 . 1 1 100 100 LYS CD C 13 28.7 0.4 . 1 . . . . . . . . 4161 1 1137 . 1 1 100 100 LYS CE C 13 41.6 0.4 . 1 . . . . . . . . 4161 1 1138 . 1 1 100 100 LYS N N 15 122.2 0.2 . 1 . . . . . . . . 4161 1 1139 . 1 1 101 101 GLY H H 1 8.47 0.02 . 1 . . . . . . . . 4161 1 1140 . 1 1 101 101 GLY HA2 H 1 3.92 0.02 . 2 . . . . . . . . 4161 1 1141 . 1 1 101 101 GLY HA3 H 1 3.96 0.02 . 2 . . . . . . . . 4161 1 1142 . 1 1 101 101 GLY C C 13 173.5 0.4 . 1 . . . . . . . . 4161 1 1143 . 1 1 101 101 GLY CA C 13 45.2 0.4 . 1 . . . . . . . . 4161 1 1144 . 1 1 101 101 GLY N N 15 110.4 0.2 . 1 . . . . . . . . 4161 1 1145 . 1 1 102 102 ASN H H 1 8.29 0.02 . 1 . . . . . . . . 4161 1 1146 . 1 1 102 102 ASN HA H 1 4.69 0.02 . 1 . . . . . . . . 4161 1 1147 . 1 1 102 102 ASN HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4161 1 1148 . 1 1 102 102 ASN HB3 H 1 2.82 0.02 . 2 . . . . . . . . 4161 1 1149 . 1 1 102 102 ASN HD21 H 1 6.87 0.02 . 5 . . . . . . . . 4161 1 1150 . 1 1 102 102 ASN HD22 H 1 7.62 0.02 . 5 . . . . . . . . 4161 1 1151 . 1 1 102 102 ASN C C 13 174.8 0.4 . 1 . . . . . . . . 4161 1 1152 . 1 1 102 102 ASN CA C 13 53.0 0.4 . 1 . . . . . . . . 4161 1 1153 . 1 1 102 102 ASN CB C 13 38.7 0.4 . 1 . . . . . . . . 4161 1 1154 . 1 1 102 102 ASN N N 15 119.0 0.2 . 1 . . . . . . . . 4161 1 1155 . 1 1 102 102 ASN ND2 N 15 112.7 0.2 . 5 . . . . . . . . 4161 1 1156 . 1 1 103 103 ASN H H 1 8.40 0.02 . 1 . . . . . . . . 4161 1 1157 . 1 1 103 103 ASN HA H 1 4.69 0.02 . 1 . . . . . . . . 4161 1 1158 . 1 1 103 103 ASN HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4161 1 1159 . 1 1 103 103 ASN HD21 H 1 6.93 0.02 . 5 . . . . . . . . 4161 1 1160 . 1 1 103 103 ASN HD22 H 1 7.54 0.02 . 5 . . . . . . . . 4161 1 1161 . 1 1 103 103 ASN C C 13 174.4 0.4 . 1 . . . . . . . . 4161 1 1162 . 1 1 103 103 ASN CA C 13 53.0 0.4 . 1 . . . . . . . . 4161 1 1163 . 1 1 103 103 ASN CB C 13 38.6 0.4 . 1 . . . . . . . . 4161 1 1164 . 1 1 103 103 ASN N N 15 119.5 0.2 . 1 . . . . . . . . 4161 1 1165 . 1 1 103 103 ASN ND2 N 15 113.2 0.2 . 5 . . . . . . . . 4161 1 1166 . 1 1 104 104 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 4161 1 1167 . 1 1 104 104 ALA HA H 1 4.35 0.02 . 1 . . . . . . . . 4161 1 1168 . 1 1 104 104 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 4161 1 1169 . 1 1 104 104 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 4161 1 1170 . 1 1 104 104 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 4161 1 1171 . 1 1 104 104 ALA C C 13 176.4 0.4 . 1 . . . . . . . . 4161 1 1172 . 1 1 104 104 ALA CA C 13 52.6 0.4 . 1 . . . . . . . . 4161 1 1173 . 1 1 104 104 ALA CB C 13 19.1 0.4 . 1 . . . . . . . . 4161 1 1174 . 1 1 104 104 ALA N N 15 123.0 0.2 . 1 . . . . . . . . 4161 1 1175 . 1 1 105 105 PHE H H 1 7.84 0.02 . 1 . . . . . . . . 4161 1 1176 . 1 1 105 105 PHE HA H 1 5.33 0.02 . 1 . . . . . . . . 4161 1 1177 . 1 1 105 105 PHE HB2 H 1 2.87 0.02 . 2 . . . . . . . . 4161 1 1178 . 1 1 105 105 PHE HB3 H 1 3.00 0.02 . 2 . . . . . . . . 4161 1 1179 . 1 1 105 105 PHE HD1 H 1 7.03 0.02 . 3 . . . . . . . . 4161 1 1180 . 1 1 105 105 PHE HE1 H 1 7.27 0.02 . 3 . . . . . . . . 4161 1 1181 . 1 1 105 105 PHE C C 13 174.9 0.4 . 1 . . . . . . . . 4161 1 1182 . 1 1 105 105 PHE CA C 13 56.1 0.4 . 1 . . . . . . . . 4161 1 1183 . 1 1 105 105 PHE CB C 13 42.0 0.4 . 1 . . . . . . . . 4161 1 1184 . 1 1 105 105 PHE N N 15 115.9 0.2 . 1 . . . . . . . . 4161 1 1185 . 1 1 106 106 ARG H H 1 8.75 0.02 . 1 . . . . . . . . 4161 1 1186 . 1 1 106 106 ARG HA H 1 4.56 0.02 . 1 . . . . . . . . 4161 1 1187 . 1 1 106 106 ARG HB2 H 1 1.46 0.02 . 2 . . . . . . . . 4161 1 1188 . 1 1 106 106 ARG HG2 H 1 1.21 0.02 . 2 . . . . . . . . 4161 1 1189 . 1 1 106 106 ARG HD2 H 1 2.48 0.02 . 2 . . . . . . . . 4161 1 1190 . 1 1 106 106 ARG C C 13 173.5 0.4 . 1 . . . . . . . . 4161 1 1191 . 1 1 106 106 ARG CA C 13 54.9 0.4 . 1 . . . . . . . . 4161 1 1192 . 1 1 106 106 ARG CB C 13 35.3 0.4 . 1 . . . . . . . . 4161 1 1193 . 1 1 106 106 ARG CD C 13 42.8 0.4 . 1 . . . . . . . . 4161 1 1194 . 1 1 106 106 ARG N N 15 119.3 0.2 . 1 . . . . . . . . 4161 1 1195 . 1 1 107 107 VAL H H 1 8.40 0.02 . 1 . . . . . . . . 4161 1 1196 . 1 1 107 107 VAL HA H 1 4.76 0.02 . 1 . . . . . . . . 4161 1 1197 . 1 1 107 107 VAL HB H 1 1.78 0.02 . 1 . . . . . . . . 4161 1 1198 . 1 1 107 107 VAL HG11 H 1 0.75 0.02 . 1 . . . . . . . . 4161 1 1199 . 1 1 107 107 VAL HG12 H 1 0.75 0.02 . 1 . . . . . . . . 4161 1 1200 . 1 1 107 107 VAL HG13 H 1 0.75 0.02 . 1 . . . . . . . . 4161 1 1201 . 1 1 107 107 VAL HG21 H 1 0.85 0.02 . 1 . . . . . . . . 4161 1 1202 . 1 1 107 107 VAL HG22 H 1 0.85 0.02 . 1 . . . . . . . . 4161 1 1203 . 1 1 107 107 VAL HG23 H 1 0.85 0.02 . 1 . . . . . . . . 4161 1 1204 . 1 1 107 107 VAL C C 13 173.5 0.4 . 1 . . . . . . . . 4161 1 1205 . 1 1 107 107 VAL CA C 13 61.1 0.4 . 1 . . . . . . . . 4161 1 1206 . 1 1 107 107 VAL CB C 13 33.6 0.4 . 1 . . . . . . . . 4161 1 1207 . 1 1 107 107 VAL CG1 C 13 22.1 0.4 . 1 . . . . . . . . 4161 1 1208 . 1 1 107 107 VAL CG2 C 13 22.0 0.4 . 1 . . . . . . . . 4161 1 1209 . 1 1 107 107 VAL N N 15 122.4 0.2 . 1 . . . . . . . . 4161 1 1210 . 1 1 108 108 TYR H H 1 8.56 0.02 . 1 . . . . . . . . 4161 1 1211 . 1 1 108 108 TYR HA H 1 5.01 0.02 . 1 . . . . . . . . 4161 1 1212 . 1 1 108 108 TYR HB2 H 1 1.20 0.02 . 2 . . . . . . . . 4161 1 1213 . 1 1 108 108 TYR HB3 H 1 2.32 0.02 . 2 . . . . . . . . 4161 1 1214 . 1 1 108 108 TYR HD1 H 1 6.43 0.02 . 3 . . . . . . . . 4161 1 1215 . 1 1 108 108 TYR HE1 H 1 6.45 0.02 . 3 . . . . . . . . 4161 1 1216 . 1 1 108 108 TYR C C 13 172.8 0.4 . 1 . . . . . . . . 4161 1 1217 . 1 1 108 108 TYR CA C 13 55.8 0.4 . 1 . . . . . . . . 4161 1 1218 . 1 1 108 108 TYR CB C 13 44.7 0.4 . 1 . . . . . . . . 4161 1 1219 . 1 1 108 108 TYR CD1 C 13 125.5 0.4 . 3 . . . . . . . . 4161 1 1220 . 1 1 108 108 TYR CE1 C 13 110.7 0.4 . 3 . . . . . . . . 4161 1 1221 . 1 1 108 108 TYR N N 15 124.4 0.2 . 1 . . . . . . . . 4161 1 1222 . 1 1 109 109 ARG H H 1 9.21 0.02 . 1 . . . . . . . . 4161 1 1223 . 1 1 109 109 ARG HA H 1 5.67 0.02 . 1 . . . . . . . . 4161 1 1224 . 1 1 109 109 ARG HB2 H 1 1.65 0.02 . 2 . . . . . . . . 4161 1 1225 . 1 1 109 109 ARG HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4161 1 1226 . 1 1 109 109 ARG HG2 H 1 0.76 0.02 . 2 . . . . . . . . 4161 1 1227 . 1 1 109 109 ARG HD2 H 1 3.01 0.02 . 2 . . . . . . . . 4161 1 1228 . 1 1 109 109 ARG HD3 H 1 3.21 0.02 . 2 . . . . . . . . 4161 1 1229 . 1 1 109 109 ARG C C 13 175.6 0.4 . 1 . . . . . . . . 4161 1 1230 . 1 1 109 109 ARG CA C 13 53.6 0.4 . 1 . . . . . . . . 4161 1 1231 . 1 1 109 109 ARG CB C 13 34.5 0.4 . 1 . . . . . . . . 4161 1 1232 . 1 1 109 109 ARG CD C 13 43.0 0.4 . 1 . . . . . . . . 4161 1 1233 . 1 1 109 109 ARG N N 15 117.7 0.2 . 1 . . . . . . . . 4161 1 1234 . 1 1 110 110 MET H H 1 8.58 0.02 . 1 . . . . . . . . 4161 1 1235 . 1 1 110 110 MET HA H 1 5.11 0.02 . 1 . . . . . . . . 4161 1 1236 . 1 1 110 110 MET HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4161 1 1237 . 1 1 110 110 MET HB3 H 1 2.32 0.02 . 2 . . . . . . . . 4161 1 1238 . 1 1 110 110 MET HG2 H 1 2.66 0.02 . 2 . . . . . . . . 4161 1 1239 . 1 1 110 110 MET HG3 H 1 3.21 0.02 . 2 . . . . . . . . 4161 1 1240 . 1 1 110 110 MET HE1 H 1 1.66 0.02 . 1 . . . . . . . . 4161 1 1241 . 1 1 110 110 MET HE2 H 1 1.66 0.02 . 1 . . . . . . . . 4161 1 1242 . 1 1 110 110 MET HE3 H 1 1.66 0.02 . 1 . . . . . . . . 4161 1 1243 . 1 1 110 110 MET C C 13 174.8 0.4 . 1 . . . . . . . . 4161 1 1244 . 1 1 110 110 MET CA C 13 55.3 0.4 . 1 . . . . . . . . 4161 1 1245 . 1 1 110 110 MET CB C 13 32.4 0.4 . 1 . . . . . . . . 4161 1 1246 . 1 1 110 110 MET CG C 13 34.1 0.4 . 1 . . . . . . . . 4161 1 1247 . 1 1 110 110 MET CE C 13 18.7 0.4 . 1 . . . . . . . . 4161 1 1248 . 1 1 110 110 MET N N 15 122.1 0.2 . 1 . . . . . . . . 4161 1 1249 . 1 1 111 111 LEU H H 1 8.57 0.02 . 1 . . . . . . . . 4161 1 1250 . 1 1 111 111 LEU HA H 1 4.47 0.02 . 1 . . . . . . . . 4161 1 1251 . 1 1 111 111 LEU HB2 H 1 1.56 0.02 . 2 . . . . . . . . 4161 1 1252 . 1 1 111 111 LEU HB3 H 1 1.69 0.02 . 2 . . . . . . . . 4161 1 1253 . 1 1 111 111 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 4161 1 1254 . 1 1 111 111 LEU HD11 H 1 0.91 0.02 . 1 . . . . . . . . 4161 1 1255 . 1 1 111 111 LEU HD12 H 1 0.91 0.02 . 1 . . . . . . . . 4161 1 1256 . 1 1 111 111 LEU HD13 H 1 0.91 0.02 . 1 . . . . . . . . 4161 1 1257 . 1 1 111 111 LEU HD21 H 1 0.85 0.02 . 1 . . . . . . . . 4161 1 1258 . 1 1 111 111 LEU HD22 H 1 0.85 0.02 . 1 . . . . . . . . 4161 1 1259 . 1 1 111 111 LEU HD23 H 1 0.85 0.02 . 1 . . . . . . . . 4161 1 1260 . 1 1 111 111 LEU C C 13 174.0 0.4 . 1 . . . . . . . . 4161 1 1261 . 1 1 111 111 LEU CA C 13 53.2 0.4 . 1 . . . . . . . . 4161 1 1262 . 1 1 111 111 LEU CB C 13 40.4 0.4 . 1 . . . . . . . . 4161 1 1263 . 1 1 111 111 LEU CG C 13 27.7 0.4 . 1 . . . . . . . . 4161 1 1264 . 1 1 111 111 LEU CD1 C 13 25.1 0.4 . 1 . . . . . . . . 4161 1 1265 . 1 1 111 111 LEU CD2 C 13 22.5 0.4 . 1 . . . . . . . . 4161 1 1266 . 1 1 111 111 LEU N N 15 126.5 0.2 . 1 . . . . . . . . 4161 1 1267 . 1 1 112 112 PRO HA H 1 4.25 0.02 . 1 . . . . . . . . 4161 1 1268 . 1 1 112 112 PRO HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4161 1 1269 . 1 1 112 112 PRO HB3 H 1 2.21 0.02 . 2 . . . . . . . . 4161 1 1270 . 1 1 112 112 PRO HG2 H 1 2.00 0.02 . 2 . . . . . . . . 4161 1 1271 . 1 1 112 112 PRO HD2 H 1 3.65 0.02 . 2 . . . . . . . . 4161 1 1272 . 1 1 112 112 PRO HD3 H 1 3.71 0.02 . 2 . . . . . . . . 4161 1 1273 . 1 1 112 112 PRO CA C 13 64.7 0.4 . 1 . . . . . . . . 4161 1 1274 . 1 1 112 112 PRO CB C 13 31.7 0.4 . 1 . . . . . . . . 4161 1 1275 . 1 1 112 112 PRO CG C 13 27.3 0.4 . 1 . . . . . . . . 4161 1 1276 . 1 1 112 112 PRO CD C 13 50.2 0.4 . 1 . . . . . . . . 4161 1 stop_ save_