data_4779 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4779 _Entry.Title ; Backbone sequential resonance assignments of the ligand binding domain of the human TGF-beta type II receptor ; _Entry.Type . _Entry.Version_type update _Entry.Submission_date 2000-07-07 _Entry.Accession_date 2000-07-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andrew Hinck . P. . 4779 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4779 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 677 4779 '13C chemical shifts' 477 4779 '15N chemical shifts' 105 4779 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 . . 2001-01-09 . update author 'chemical shift for PHE 97 CB revised' 4779 2 . . 2000-12-18 . original author 'original release date for the entry' 4779 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4779 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequential resonance assignments of the extracellular ligand binding domain of the human TGF-b type II receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 369 _Citation.Page_last 370 _Citation.Year 2000 _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 Andrew Hinck . P. . 4779 1 2 Kerfoot Walker . P. III 4779 1 3 Nathan Martin . R. . 4779 1 4 Shashank Deep . . . 4779 1 5 Cynthia Hinck . S. . 4779 1 6 Daron Freedberg . I. . 4779 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID TGF 4779 1 ligand-receptor 4779 1 NMR 4779 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TbR2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TbR2 _Assembly.Entry_ID 4779 _Assembly.ID 1 _Assembly.Name 'Ligand Binding Domain of the Human TGF-beta type II receptor' _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 'disulfide bound and free' _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 4779 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 TbR2 1 $TbR2 . . . native . . . . . 4779 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 99 99 SG . 1 . 1 CYS 84 84 SG . . . . . . . . . . 4779 1 2 disulfide single . 1 . 1 CYS 101 101 SG . 1 . 1 CYS 106 106 SG . . . . . . . . . . 4779 1 3 disulfide single . 1 . 1 CYS 47 47 SG . 1 . 1 CYS 14 14 SG . . . . . . . . . . 4779 1 4 disulfide single . 1 . 1 CYS 64 64 SG . 1 . 1 CYS 40 40 SG . . . . . . . . . . 4779 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ligand Binding Domain of the Human TGF-beta type II receptor' system 4779 1 TbR2 abbreviation 4779 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'eukaryotic signal transduction' 4779 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TbR2 _Entity.Sf_category entity _Entity.Sf_framecode TbR2 _Entity.Entry_ID 4779 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TGF-bet type II receptor' _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 ; VTDNAGAVKFPQLCKFCDVR FSTCDNQKSCMSNCSITSIC EKPQEVCVAVWRKNDENITL ETVCHDPKLPYHDFILEDAA SPKCIMKEKKKPGETFFMCS CSSDECNDNIIFSEEYNTSN PD ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'disulfide bound and free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13783.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . REF XP_001095987 . 'PREDICTED: similar to transforming growth factor, beta receptor II isoform B precursor isoform 3 [Macaca mulatta]' . . . . . 100.00 567 98.36 99.18 2.20e-66 . . . . 4779 1 . . SWISS-PROT P37173 . 'TGF-beta receptor type-2 precursor (Transforming growth factor-beta receptor type II) (TGF-beta receptor type II) (TGF-beta type II receptor) (TbetaR-II) (TGFR-2)' . . . . . 100.00 567 99.18 99.18 8.73e-67 . . . . 4779 1 . . REF XP_001095763 . 'PREDICTED: similar to transforming growth factor, beta receptor II isoform B precursor isoform 1 [Macaca mulatta]' . . . . . 93.44 603 98.25 99.12 2.40e-61 . . . . 4779 1 . . REF XP_001095877 . 'PREDICTED: similar to transforming growth factor, beta receptor II isoform A precursor isoform 2 [Macaca mulatta]' . . . . . 100.00 592 98.36 99.18 3.10e-66 . . . . 4779 1 . . REF NP_001020018 . 'transforming growth factor, beta receptor II isoform A precursor [Homo sapiens]' . . . . . 100.00 592 99.18 99.18 1.14e-66 . . . . 4779 1 . . REF NP_003233 . 'transforming growth factor, beta receptor II isoform B precursor [Homo sapiens]' . . . . . 100.00 567 99.18 99.18 8.73e-67 . . . . 4779 1 . . GenBank AAI52841 . 'Transforming growth factor, beta receptor II (70/80kDa) [synthetic construct]' . . . . . 100.00 592 99.18 99.18 1.14e-66 . . . . 4779 1 . . GenBank AAQ02596 . 'transforming growth factor, beta receptor II [synthetic construct]' . . . . . 100.00 568 99.18 99.18 7.51e-67 . . . . 4779 1 . . GenBank AAB17553 . 'transforming growth factor-beta type II receptor [Homo sapiens]' . . . . . 100.00 567 99.18 99.18 9.03e-67 . . . . 4779 1 . . GenBank AAB40916 . 'transforming growth factor-beta type II receptor [Homo sapiens]' . . . . . 100.00 567 99.18 99.18 9.03e-67 . . . . 4779 1 . . DBJ BAG62117 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 592 99.18 99.18 1.14e-66 . . . . 4779 1 . . GenBank AAA61164 . 'TGF-beta type II receptor' . . . . . 100.00 567 99.18 99.18 9.03e-67 . . . . 4779 1 . . DBJ BAG10803 . 'TGF-beta receptor type-2 precursor [synthetic construct]' . . . . . 100.00 567 99.18 99.18 8.73e-67 . . . . 4779 1 . . DBJ BAG36796 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 567 99.18 99.18 8.73e-67 . . . . 4779 1 . . DBJ BAA05673 . 'TGF-beta receptor type IIB [Homo sapiens]' . . . . . 100.00 283 99.18 99.18 5.03e-66 . . . . 4779 1 . . DBJ BAA09332 . 'TGF-betaIIR alpha [Homo sapiens]' . . . . . 100.00 567 99.18 99.18 9.73e-67 . . . . 4779 1 . . PDB 1PLO . 'Transforming Growth Factor-Beta Type Ii Receptor Extracellular Domain' . . . . . 100.00 122 100.00 100.00 4.99e-65 . . . . 4779 1 . . PDB 2PJY . 'Structural Basis For Cooperative Assembly Of The Tgf-Beta Signaling Complex' . . . . . 88.52 108 100.00 100.00 8.83e-57 . . . . 4779 1 . . PDB 1KTZ . 'Crystal Structure Of The Human Tgf-Beta Type Ii Receptor Extracellular Domain In Complex With Tgf-Beta3' . . . . . 100.00 122 99.18 99.18 2.90e-64 . . . . 4779 1 . . PDB 1M9Z . 'Crystal Structure Of Human Tgf-Beta Type Ii Receptor Ligand Binding Domain' . . . . . 90.16 111 99.09 99.09 4.53e-57 . . . . 4779 1 . . BMRB 5953 . 'Transforming Growth Factor type II Receptor' . . . . . 95.08 116 99.14 100.00 8.75e-61 . . . . 4779 1 . . BMRB 5954 . 'Transforming Growth Factor type II Receptor' . . . . . 95.08 116 99.14 100.00 8.75e-61 . . . . 4779 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'TGF-bet type II receptor' common 4779 1 N19A variant 4779 1 TbR2 abbreviation 4779 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 15 VAL . 4779 1 2 16 THR . 4779 1 3 17 ASP . 4779 1 4 18 ASN . 4779 1 5 19 ALA . 4779 1 6 20 GLY . 4779 1 7 21 ALA . 4779 1 8 22 VAL . 4779 1 9 23 LYS . 4779 1 10 24 PHE . 4779 1 11 25 PRO . 4779 1 12 26 GLN . 4779 1 13 27 LEU . 4779 1 14 28 CYS . 4779 1 15 29 LYS . 4779 1 16 30 PHE . 4779 1 17 31 CYS . 4779 1 18 32 ASP . 4779 1 19 33 VAL . 4779 1 20 34 ARG . 4779 1 21 35 PHE . 4779 1 22 36 SER . 4779 1 23 37 THR . 4779 1 24 38 CYS . 4779 1 25 39 ASP . 4779 1 26 40 ASN . 4779 1 27 41 GLN . 4779 1 28 42 LYS . 4779 1 29 43 SER . 4779 1 30 44 CYS . 4779 1 31 45 MET . 4779 1 32 46 SER . 4779 1 33 47 ASN . 4779 1 34 48 CYS . 4779 1 35 49 SER . 4779 1 36 50 ILE . 4779 1 37 51 THR . 4779 1 38 52 SER . 4779 1 39 53 ILE . 4779 1 40 54 CYS . 4779 1 41 55 GLU . 4779 1 42 56 LYS . 4779 1 43 57 PRO . 4779 1 44 58 GLN . 4779 1 45 59 GLU . 4779 1 46 60 VAL . 4779 1 47 61 CYS . 4779 1 48 62 VAL . 4779 1 49 63 ALA . 4779 1 50 64 VAL . 4779 1 51 65 TRP . 4779 1 52 66 ARG . 4779 1 53 67 LYS . 4779 1 54 68 ASN . 4779 1 55 69 ASP . 4779 1 56 70 GLU . 4779 1 57 71 ASN . 4779 1 58 72 ILE . 4779 1 59 73 THR . 4779 1 60 74 LEU . 4779 1 61 75 GLU . 4779 1 62 76 THR . 4779 1 63 77 VAL . 4779 1 64 78 CYS . 4779 1 65 79 HIS . 4779 1 66 80 ASP . 4779 1 67 81 PRO . 4779 1 68 82 LYS . 4779 1 69 83 LEU . 4779 1 70 84 PRO . 4779 1 71 85 TYR . 4779 1 72 86 HIS . 4779 1 73 87 ASP . 4779 1 74 88 PHE . 4779 1 75 89 ILE . 4779 1 76 90 LEU . 4779 1 77 91 GLU . 4779 1 78 92 ASP . 4779 1 79 93 ALA . 4779 1 80 94 ALA . 4779 1 81 95 SER . 4779 1 82 96 PRO . 4779 1 83 97 LYS . 4779 1 84 98 CYS . 4779 1 85 99 ILE . 4779 1 86 100 MET . 4779 1 87 101 LYS . 4779 1 88 102 GLU . 4779 1 89 103 LYS . 4779 1 90 104 LYS . 4779 1 91 105 LYS . 4779 1 92 106 PRO . 4779 1 93 107 GLY . 4779 1 94 108 GLU . 4779 1 95 109 THR . 4779 1 96 110 PHE . 4779 1 97 111 PHE . 4779 1 98 112 MET . 4779 1 99 113 CYS . 4779 1 100 114 SER . 4779 1 101 115 CYS . 4779 1 102 116 SER . 4779 1 103 117 SER . 4779 1 104 118 ASP . 4779 1 105 119 GLU . 4779 1 106 120 CYS . 4779 1 107 121 ASN . 4779 1 108 122 ASP . 4779 1 109 123 ASN . 4779 1 110 124 ILE . 4779 1 111 125 ILE . 4779 1 112 126 PHE . 4779 1 113 127 SER . 4779 1 114 128 GLU . 4779 1 115 129 GLU . 4779 1 116 130 TYR . 4779 1 117 131 ASN . 4779 1 118 132 THR . 4779 1 119 133 SER . 4779 1 120 134 ASN . 4779 1 121 135 PRO . 4779 1 122 136 ASP . 4779 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 . VAL 1 1 4779 1 . THR 2 2 4779 1 . ASP 3 3 4779 1 . ASN 4 4 4779 1 . ALA 5 5 4779 1 . GLY 6 6 4779 1 . ALA 7 7 4779 1 . VAL 8 8 4779 1 . LYS 9 9 4779 1 . PHE 10 10 4779 1 . PRO 11 11 4779 1 . GLN 12 12 4779 1 . LEU 13 13 4779 1 . CYS 14 14 4779 1 . LYS 15 15 4779 1 . PHE 16 16 4779 1 . CYS 17 17 4779 1 . ASP 18 18 4779 1 . VAL 19 19 4779 1 . ARG 20 20 4779 1 . PHE 21 21 4779 1 . SER 22 22 4779 1 . THR 23 23 4779 1 . CYS 24 24 4779 1 . ASP 25 25 4779 1 . ASN 26 26 4779 1 . GLN 27 27 4779 1 . LYS 28 28 4779 1 . SER 29 29 4779 1 . CYS 30 30 4779 1 . MET 31 31 4779 1 . SER 32 32 4779 1 . ASN 33 33 4779 1 . CYS 34 34 4779 1 . SER 35 35 4779 1 . ILE 36 36 4779 1 . THR 37 37 4779 1 . SER 38 38 4779 1 . ILE 39 39 4779 1 . CYS 40 40 4779 1 . GLU 41 41 4779 1 . LYS 42 42 4779 1 . PRO 43 43 4779 1 . GLN 44 44 4779 1 . GLU 45 45 4779 1 . VAL 46 46 4779 1 . CYS 47 47 4779 1 . VAL 48 48 4779 1 . ALA 49 49 4779 1 . VAL 50 50 4779 1 . TRP 51 51 4779 1 . ARG 52 52 4779 1 . LYS 53 53 4779 1 . ASN 54 54 4779 1 . ASP 55 55 4779 1 . GLU 56 56 4779 1 . ASN 57 57 4779 1 . ILE 58 58 4779 1 . THR 59 59 4779 1 . LEU 60 60 4779 1 . GLU 61 61 4779 1 . THR 62 62 4779 1 . VAL 63 63 4779 1 . CYS 64 64 4779 1 . HIS 65 65 4779 1 . ASP 66 66 4779 1 . PRO 67 67 4779 1 . LYS 68 68 4779 1 . LEU 69 69 4779 1 . PRO 70 70 4779 1 . TYR 71 71 4779 1 . HIS 72 72 4779 1 . ASP 73 73 4779 1 . PHE 74 74 4779 1 . ILE 75 75 4779 1 . LEU 76 76 4779 1 . GLU 77 77 4779 1 . ASP 78 78 4779 1 . ALA 79 79 4779 1 . ALA 80 80 4779 1 . SER 81 81 4779 1 . PRO 82 82 4779 1 . LYS 83 83 4779 1 . CYS 84 84 4779 1 . ILE 85 85 4779 1 . MET 86 86 4779 1 . LYS 87 87 4779 1 . GLU 88 88 4779 1 . LYS 89 89 4779 1 . LYS 90 90 4779 1 . LYS 91 91 4779 1 . PRO 92 92 4779 1 . GLY 93 93 4779 1 . GLU 94 94 4779 1 . THR 95 95 4779 1 . PHE 96 96 4779 1 . PHE 97 97 4779 1 . MET 98 98 4779 1 . CYS 99 99 4779 1 . SER 100 100 4779 1 . CYS 101 101 4779 1 . SER 102 102 4779 1 . SER 103 103 4779 1 . ASP 104 104 4779 1 . GLU 105 105 4779 1 . CYS 106 106 4779 1 . ASN 107 107 4779 1 . ASP 108 108 4779 1 . ASN 109 109 4779 1 . ILE 110 110 4779 1 . ILE 111 111 4779 1 . PHE 112 112 4779 1 . SER 113 113 4779 1 . GLU 114 114 4779 1 . GLU 115 115 4779 1 . TYR 116 116 4779 1 . ASN 117 117 4779 1 . THR 118 118 4779 1 . SER 119 119 4779 1 . ASN 120 120 4779 1 . PRO 121 121 4779 1 . ASP 122 122 4779 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 4779 _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 $TbR2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4779 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 4779 _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 $TbR2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4779 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 4779 _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 'TGF-bet type II receptor' '[U-99% 13C; U-99% 15N]' . . 1 $TbR2 . . . 0.5 2.0 mM . . . . 4779 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition1 _Sample_condition_list.Entry_ID 4779 _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 5.50 0.05 n/a 4779 1 temperature 300 0.5 K 4779 1 'ionic strength' 0.05 . M 4779 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 4779 _Software.ID 1 _Software.Name nmrPipe _Software.Version 'Feb, 2000' _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4779 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4779 _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 Bruker AMX2 . 500 . . . 4779 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 4779 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4779 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4779 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4779 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4779 1 5 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4779 1 6 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4779 1 7 H(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4779 1 8 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4779 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4779 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4779 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4779 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4779 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4779 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4779 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4779 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4779 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name H(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4779 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4779 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4779 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4779 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329112 . . . . . . . . . 4779 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449519 . . . . . . . . . 4779 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4779 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample1 . 4779 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 VAL HA H 1 4.27 0.03 . 1 . . . . . . . . 4779 1 2 . 1 1 1 1 VAL HB H 1 2.08 0.03 . 1 . . . . . . . . 4779 1 3 . 1 1 1 1 VAL HG11 H 1 0.97 0.03 . 2 . . . . . . . . 4779 1 4 . 1 1 1 1 VAL HG12 H 1 0.97 0.03 . 2 . . . . . . . . 4779 1 5 . 1 1 1 1 VAL HG13 H 1 0.97 0.03 . 2 . . . . . . . . 4779 1 6 . 1 1 1 1 VAL C C 13 175.90 0.50 . 1 . . . . . . . . 4779 1 7 . 1 1 1 1 VAL CA C 13 62.50 0.50 . 1 . . . . . . . . 4779 1 8 . 1 1 1 1 VAL CB C 13 32.80 0.50 . 1 . . . . . . . . 4779 1 9 . 1 1 1 1 VAL CG1 C 13 21.40 0.50 . 2 . . . . . . . . 4779 1 10 . 1 1 2 2 THR H H 1 8.24 0.03 . 1 . . . . . . . . 4779 1 11 . 1 1 2 2 THR HA H 1 4.38 0.03 . 1 . . . . . . . . 4779 1 12 . 1 1 2 2 THR HB H 1 4.20 0.03 . 1 . . . . . . . . 4779 1 13 . 1 1 2 2 THR HG21 H 1 1.18 0.03 . 1 . . . . . . . . 4779 1 14 . 1 1 2 2 THR HG22 H 1 1.18 0.03 . 1 . . . . . . . . 4779 1 15 . 1 1 2 2 THR HG23 H 1 1.18 0.03 . 1 . . . . . . . . 4779 1 16 . 1 1 2 2 THR C C 13 174.10 0.50 . 1 . . . . . . . . 4779 1 17 . 1 1 2 2 THR CA C 13 61.50 0.50 . 1 . . . . . . . . 4779 1 18 . 1 1 2 2 THR CB C 13 69.90 0.50 . 1 . . . . . . . . 4779 1 19 . 1 1 2 2 THR CG2 C 13 21.60 0.50 . 1 . . . . . . . . 4779 1 20 . 1 1 2 2 THR N N 15 117.60 0.25 . 1 . . . . . . . . 4779 1 21 . 1 1 3 3 ASP H H 1 8.29 0.03 . 1 . . . . . . . . 4779 1 22 . 1 1 3 3 ASP HA H 1 4.59 0.03 . 1 . . . . . . . . 4779 1 23 . 1 1 3 3 ASP HB2 H 1 2.67 0.03 . 2 . . . . . . . . 4779 1 24 . 1 1 3 3 ASP C C 13 176.00 0.50 . 1 . . . . . . . . 4779 1 25 . 1 1 3 3 ASP CA C 13 54.20 0.50 . 1 . . . . . . . . 4779 1 26 . 1 1 3 3 ASP CB C 13 41.30 0.50 . 1 . . . . . . . . 4779 1 27 . 1 1 3 3 ASP N N 15 122.80 0.25 . 1 . . . . . . . . 4779 1 28 . 1 1 4 4 ASN H H 1 8.39 0.03 . 1 . . . . . . . . 4779 1 29 . 1 1 4 4 ASN HA H 1 4.66 0.03 . 1 . . . . . . . . 4779 1 30 . 1 1 4 4 ASN HB2 H 1 2.77 0.03 . 2 . . . . . . . . 4779 1 31 . 1 1 4 4 ASN HB3 H 1 2.83 0.03 . 2 . . . . . . . . 4779 1 32 . 1 1 4 4 ASN C C 13 175.20 0.50 . 1 . . . . . . . . 4779 1 33 . 1 1 4 4 ASN CA C 13 53.40 0.50 . 1 . . . . . . . . 4779 1 34 . 1 1 4 4 ASN CB C 13 38.80 0.50 . 1 . . . . . . . . 4779 1 35 . 1 1 4 4 ASN N N 15 119.40 0.25 . 1 . . . . . . . . 4779 1 36 . 1 1 5 5 ALA H H 1 8.31 0.03 . 1 . . . . . . . . 4779 1 37 . 1 1 5 5 ALA HA H 1 4.26 0.03 . 1 . . . . . . . . 4779 1 38 . 1 1 5 5 ALA HB1 H 1 1.39 0.03 . 1 . . . . . . . . 4779 1 39 . 1 1 5 5 ALA HB2 H 1 1.39 0.03 . 1 . . . . . . . . 4779 1 40 . 1 1 5 5 ALA HB3 H 1 1.39 0.03 . 1 . . . . . . . . 4779 1 41 . 1 1 5 5 ALA C C 13 178.20 0.50 . 1 . . . . . . . . 4779 1 42 . 1 1 5 5 ALA CA C 13 53.10 0.50 . 1 . . . . . . . . 4779 1 43 . 1 1 5 5 ALA CB C 13 19.00 0.50 . 1 . . . . . . . . 4779 1 44 . 1 1 5 5 ALA N N 15 124.50 0.25 . 1 . . . . . . . . 4779 1 45 . 1 1 6 6 GLY H H 1 8.29 0.03 . 1 . . . . . . . . 4779 1 46 . 1 1 6 6 GLY HA3 H 1 3.89 0.03 . 2 . . . . . . . . 4779 1 47 . 1 1 6 6 GLY C C 13 173.80 0.50 . 1 . . . . . . . . 4779 1 48 . 1 1 6 6 GLY CA C 13 45.20 0.50 . 1 . . . . . . . . 4779 1 49 . 1 1 6 6 GLY N N 15 107.70 0.25 . 1 . . . . . . . . 4779 1 50 . 1 1 7 7 ALA H H 1 7.96 0.03 . 1 . . . . . . . . 4779 1 51 . 1 1 7 7 ALA HA H 1 4.29 0.03 . 1 . . . . . . . . 4779 1 52 . 1 1 7 7 ALA HB1 H 1 1.33 0.03 . 1 . . . . . . . . 4779 1 53 . 1 1 7 7 ALA HB2 H 1 1.33 0.03 . 1 . . . . . . . . 4779 1 54 . 1 1 7 7 ALA HB3 H 1 1.33 0.03 . 1 . . . . . . . . 4779 1 55 . 1 1 7 7 ALA C C 13 177.50 0.50 . 1 . . . . . . . . 4779 1 56 . 1 1 7 7 ALA CA C 13 52.30 0.50 . 1 . . . . . . . . 4779 1 57 . 1 1 7 7 ALA CB C 13 19.40 0.50 . 1 . . . . . . . . 4779 1 58 . 1 1 7 7 ALA N N 15 123.70 0.25 . 1 . . . . . . . . 4779 1 59 . 1 1 8 8 VAL H H 1 8.01 0.03 . 1 . . . . . . . . 4779 1 60 . 1 1 8 8 VAL HA H 1 3.95 0.03 . 1 . . . . . . . . 4779 1 61 . 1 1 8 8 VAL HB H 1 1.91 0.03 . 1 . . . . . . . . 4779 1 62 . 1 1 8 8 VAL HG11 H 1 0.86 0.03 . 2 . . . . . . . . 4779 1 63 . 1 1 8 8 VAL HG12 H 1 0.86 0.03 . 2 . . . . . . . . 4779 1 64 . 1 1 8 8 VAL HG13 H 1 0.86 0.03 . 2 . . . . . . . . 4779 1 65 . 1 1 8 8 VAL HG21 H 1 0.71 0.03 . 2 . . . . . . . . 4779 1 66 . 1 1 8 8 VAL HG22 H 1 0.71 0.03 . 2 . . . . . . . . 4779 1 67 . 1 1 8 8 VAL HG23 H 1 0.71 0.03 . 2 . . . . . . . . 4779 1 68 . 1 1 8 8 VAL C C 13 175.10 0.50 . 1 . . . . . . . . 4779 1 69 . 1 1 8 8 VAL CA C 13 62.20 0.50 . 1 . . . . . . . . 4779 1 70 . 1 1 8 8 VAL CB C 13 32.90 0.50 . 1 . . . . . . . . 4779 1 71 . 1 1 8 8 VAL CG1 C 13 20.80 0.50 . 2 . . . . . . . . 4779 1 72 . 1 1 8 8 VAL CG2 C 13 21.20 0.50 . 2 . . . . . . . . 4779 1 73 . 1 1 8 8 VAL N N 15 120.10 0.25 . 1 . . . . . . . . 4779 1 74 . 1 1 9 9 LYS H H 1 8.31 0.03 . 1 . . . . . . . . 4779 1 75 . 1 1 9 9 LYS HA H 1 4.35 0.03 . 1 . . . . . . . . 4779 1 76 . 1 1 9 9 LYS HB2 H 1 1.68 0.03 . 2 . . . . . . . . 4779 1 77 . 1 1 9 9 LYS HG2 H 1 1.32 0.03 . 2 . . . . . . . . 4779 1 78 . 1 1 9 9 LYS HD2 H 1 1.73 0.03 . 2 . . . . . . . . 4779 1 79 . 1 1 9 9 LYS HD3 H 1 1.61 0.03 . 2 . . . . . . . . 4779 1 80 . 1 1 9 9 LYS HE2 H 1 3.07 0.03 . 2 . . . . . . . . 4779 1 81 . 1 1 9 9 LYS HE3 H 1 2.98 0.03 . 2 . . . . . . . . 4779 1 82 . 1 1 9 9 LYS C C 13 175.10 0.50 . 1 . . . . . . . . 4779 1 83 . 1 1 9 9 LYS CA C 13 55.30 0.50 . 1 . . . . . . . . 4779 1 84 . 1 1 9 9 LYS CB C 13 33.60 0.50 . 1 . . . . . . . . 4779 1 85 . 1 1 9 9 LYS CG C 13 24.40 0.50 . 1 . . . . . . . . 4779 1 86 . 1 1 9 9 LYS CD C 13 28.80 0.50 . 1 . . . . . . . . 4779 1 87 . 1 1 9 9 LYS CE C 13 42.50 0.50 . 1 . . . . . . . . 4779 1 88 . 1 1 9 9 LYS N N 15 126.10 0.25 . 1 . . . . . . . . 4779 1 89 . 1 1 10 10 PHE H H 1 8.49 0.03 . 1 . . . . . . . . 4779 1 90 . 1 1 10 10 PHE HA H 1 4.85 0.03 . 1 . . . . . . . . 4779 1 91 . 1 1 10 10 PHE HB2 H 1 3.27 0.03 . 2 . . . . . . . . 4779 1 92 . 1 1 10 10 PHE HB3 H 1 2.87 0.03 . 2 . . . . . . . . 4779 1 93 . 1 1 10 10 PHE HD2 H 1 7.34 0.03 . 3 . . . . . . . . 4779 1 94 . 1 1 10 10 PHE C C 13 173.70 0.50 . 1 . . . . . . . . 4779 1 95 . 1 1 10 10 PHE CA C 13 55.70 0.50 . 1 . . . . . . . . 4779 1 96 . 1 1 10 10 PHE CB C 13 39.00 0.50 . 1 . . . . . . . . 4779 1 97 . 1 1 10 10 PHE N N 15 124.90 0.25 . 1 . . . . . . . . 4779 1 98 . 1 1 11 11 PRO HA H 1 4.48 0.03 . 1 . . . . . . . . 4779 1 99 . 1 1 11 11 PRO HB2 H 1 1.92 0.03 . 2 . . . . . . . . 4779 1 100 . 1 1 11 11 PRO HB3 H 1 1.99 0.03 . 2 . . . . . . . . 4779 1 101 . 1 1 11 11 PRO HG2 H 1 1.72 0.03 . 2 . . . . . . . . 4779 1 102 . 1 1 11 11 PRO HG3 H 1 2.05 0.03 . 2 . . . . . . . . 4779 1 103 . 1 1 11 11 PRO HD2 H 1 3.83 0.03 . 2 . . . . . . . . 4779 1 104 . 1 1 11 11 PRO C C 13 175.30 0.50 . 1 . . . . . . . . 4779 1 105 . 1 1 11 11 PRO CA C 13 62.60 0.50 . 1 . . . . . . . . 4779 1 106 . 1 1 11 11 PRO CB C 13 32.50 0.50 . 1 . . . . . . . . 4779 1 107 . 1 1 11 11 PRO CG C 13 27.80 0.50 . 1 . . . . . . . . 4779 1 108 . 1 1 11 11 PRO CD C 13 50.20 0.50 . 1 . . . . . . . . 4779 1 109 . 1 1 12 12 GLN H H 1 8.95 0.03 . 1 . . . . . . . . 4779 1 110 . 1 1 12 12 GLN HA H 1 4.30 0.03 . 1 . . . . . . . . 4779 1 111 . 1 1 12 12 GLN HB2 H 1 2.01 0.03 . 2 . . . . . . . . 4779 1 112 . 1 1 12 12 GLN HB3 H 1 1.34 0.03 . 2 . . . . . . . . 4779 1 113 . 1 1 12 12 GLN HG2 H 1 2.27 0.03 . 2 . . . . . . . . 4779 1 114 . 1 1 12 12 GLN C C 13 173.70 0.50 . 1 . . . . . . . . 4779 1 115 . 1 1 12 12 GLN CA C 13 55.20 0.50 . 1 . . . . . . . . 4779 1 116 . 1 1 12 12 GLN CB C 13 32.00 0.50 . 1 . . . . . . . . 4779 1 117 . 1 1 12 12 GLN CG C 13 35.70 0.50 . 1 . . . . . . . . 4779 1 118 . 1 1 12 12 GLN N N 15 122.10 0.25 . 1 . . . . . . . . 4779 1 119 . 1 1 13 13 LEU H H 1 7.93 0.03 . 1 . . . . . . . . 4779 1 120 . 1 1 13 13 LEU HA H 1 5.04 0.03 . 1 . . . . . . . . 4779 1 121 . 1 1 13 13 LEU HB2 H 1 1.40 0.03 . 2 . . . . . . . . 4779 1 122 . 1 1 13 13 LEU HB3 H 1 1.17 0.03 . 2 . . . . . . . . 4779 1 123 . 1 1 13 13 LEU HG H 1 1.59 0.03 . 1 . . . . . . . . 4779 1 124 . 1 1 13 13 LEU HD11 H 1 0.82 0.03 . 2 . . . . . . . . 4779 1 125 . 1 1 13 13 LEU HD12 H 1 0.82 0.03 . 2 . . . . . . . . 4779 1 126 . 1 1 13 13 LEU HD13 H 1 0.82 0.03 . 2 . . . . . . . . 4779 1 127 . 1 1 13 13 LEU HD21 H 1 0.74 0.03 . 2 . . . . . . . . 4779 1 128 . 1 1 13 13 LEU HD22 H 1 0.74 0.03 . 2 . . . . . . . . 4779 1 129 . 1 1 13 13 LEU HD23 H 1 0.74 0.03 . 2 . . . . . . . . 4779 1 130 . 1 1 13 13 LEU C C 13 178.40 0.50 . 1 . . . . . . . . 4779 1 131 . 1 1 13 13 LEU CA C 13 54.00 0.50 . 1 . . . . . . . . 4779 1 132 . 1 1 13 13 LEU CB C 13 44.30 0.50 . 1 . . . . . . . . 4779 1 133 . 1 1 13 13 LEU CG C 13 27.60 0.50 . 1 . . . . . . . . 4779 1 134 . 1 1 13 13 LEU CD1 C 13 25.20 0.50 . 2 . . . . . . . . 4779 1 135 . 1 1 13 13 LEU CD2 C 13 24.80 0.50 . 2 . . . . . . . . 4779 1 136 . 1 1 13 13 LEU N N 15 120.00 0.25 . 1 . . . . . . . . 4779 1 137 . 1 1 14 14 CYS H H 1 9.02 0.03 . 1 . . . . . . . . 4779 1 138 . 1 1 14 14 CYS HA H 1 5.10 0.03 . 1 . . . . . . . . 4779 1 139 . 1 1 14 14 CYS HB2 H 1 2.94 0.03 . 2 . . . . . . . . 4779 1 140 . 1 1 14 14 CYS HB3 H 1 2.57 0.03 . 2 . . . . . . . . 4779 1 141 . 1 1 14 14 CYS C C 13 175.60 0.50 . 1 . . . . . . . . 4779 1 142 . 1 1 14 14 CYS CA C 13 52.50 0.50 . 1 . . . . . . . . 4779 1 143 . 1 1 14 14 CYS CB C 13 42.90 0.50 . 1 . . . . . . . . 4779 1 144 . 1 1 14 14 CYS N N 15 118.80 0.25 . 1 . . . . . . . . 4779 1 145 . 1 1 15 15 LYS H H 1 9.14 0.03 . 1 . . . . . . . . 4779 1 146 . 1 1 15 15 LYS HA H 1 5.02 0.03 . 1 . . . . . . . . 4779 1 147 . 1 1 15 15 LYS HB2 H 1 1.67 0.03 . 2 . . . . . . . . 4779 1 148 . 1 1 15 15 LYS HB3 H 1 1.53 0.03 . 2 . . . . . . . . 4779 1 149 . 1 1 15 15 LYS HG2 H 1 1.18 0.03 . 2 . . . . . . . . 4779 1 150 . 1 1 15 15 LYS HG3 H 1 1.43 0.03 . 2 . . . . . . . . 4779 1 151 . 1 1 15 15 LYS HD2 H 1 1.59 0.03 . 2 . . . . . . . . 4779 1 152 . 1 1 15 15 LYS HE2 H 1 2.92 0.03 . 2 . . . . . . . . 4779 1 153 . 1 1 15 15 LYS C C 13 177.70 0.50 . 1 . . . . . . . . 4779 1 154 . 1 1 15 15 LYS CA C 13 54.90 0.50 . 1 . . . . . . . . 4779 1 155 . 1 1 15 15 LYS CB C 13 29.60 0.50 . 1 . . . . . . . . 4779 1 156 . 1 1 15 15 LYS CG C 13 23.80 0.50 . 1 . . . . . . . . 4779 1 157 . 1 1 15 15 LYS CD C 13 27.50 0.50 . 1 . . . . . . . . 4779 1 158 . 1 1 15 15 LYS CE C 13 41.30 0.50 . 1 . . . . . . . . 4779 1 159 . 1 1 15 15 LYS N N 15 120.10 0.25 . 1 . . . . . . . . 4779 1 160 . 1 1 16 16 PHE H H 1 8.45 0.03 . 1 . . . . . . . . 4779 1 161 . 1 1 16 16 PHE HA H 1 5.28 0.03 . 1 . . . . . . . . 4779 1 162 . 1 1 16 16 PHE HB2 H 1 3.62 0.03 . 2 . . . . . . . . 4779 1 163 . 1 1 16 16 PHE HB3 H 1 2.41 0.03 . 2 . . . . . . . . 4779 1 164 . 1 1 16 16 PHE HD2 H 1 7.19 0.03 . 3 . . . . . . . . 4779 1 165 . 1 1 16 16 PHE C C 13 174.70 0.50 . 1 . . . . . . . . 4779 1 166 . 1 1 16 16 PHE CA C 13 54.30 0.50 . 1 . . . . . . . . 4779 1 167 . 1 1 16 16 PHE CB C 13 39.50 0.50 . 1 . . . . . . . . 4779 1 168 . 1 1 16 16 PHE N N 15 127.00 0.25 . 1 . . . . . . . . 4779 1 169 . 1 1 17 17 CYS H H 1 8.65 0.03 . 1 . . . . . . . . 4779 1 170 . 1 1 17 17 CYS HA H 1 4.89 0.03 . 1 . . . . . . . . 4779 1 171 . 1 1 17 17 CYS HB2 H 1 3.31 0.03 . 2 . . . . . . . . 4779 1 172 . 1 1 17 17 CYS C C 13 175.00 0.50 . 1 . . . . . . . . 4779 1 173 . 1 1 17 17 CYS CA C 13 61.10 0.50 . 1 . . . . . . . . 4779 1 174 . 1 1 17 17 CYS CB C 13 40.10 0.50 . 1 . . . . . . . . 4779 1 175 . 1 1 17 17 CYS N N 15 119.60 0.25 . 1 . . . . . . . . 4779 1 176 . 1 1 18 18 ASP H H 1 9.41 0.03 . 1 . . . . . . . . 4779 1 177 . 1 1 18 18 ASP HA H 1 4.10 0.03 . 1 . . . . . . . . 4779 1 178 . 1 1 18 18 ASP HB2 H 1 3.18 0.03 . 2 . . . . . . . . 4779 1 179 . 1 1 18 18 ASP HB3 H 1 3.01 0.03 . 2 . . . . . . . . 4779 1 180 . 1 1 18 18 ASP C C 13 174.90 0.50 . 1 . . . . . . . . 4779 1 181 . 1 1 18 18 ASP CA C 13 57.60 0.50 . 1 . . . . . . . . 4779 1 182 . 1 1 18 18 ASP CB C 13 40.10 0.50 . 1 . . . . . . . . 4779 1 183 . 1 1 18 18 ASP N N 15 118.10 0.25 . 1 . . . . . . . . 4779 1 184 . 1 1 19 19 VAL H H 1 8.19 0.03 . 1 . . . . . . . . 4779 1 185 . 1 1 19 19 VAL HA H 1 4.02 0.03 . 1 . . . . . . . . 4779 1 186 . 1 1 19 19 VAL HB H 1 2.02 0.03 . 1 . . . . . . . . 4779 1 187 . 1 1 19 19 VAL HG11 H 1 0.97 0.03 . 2 . . . . . . . . 4779 1 188 . 1 1 19 19 VAL HG12 H 1 0.97 0.03 . 2 . . . . . . . . 4779 1 189 . 1 1 19 19 VAL HG13 H 1 0.97 0.03 . 2 . . . . . . . . 4779 1 190 . 1 1 19 19 VAL HG21 H 1 0.77 0.03 . 2 . . . . . . . . 4779 1 191 . 1 1 19 19 VAL HG22 H 1 0.77 0.03 . 2 . . . . . . . . 4779 1 192 . 1 1 19 19 VAL HG23 H 1 0.77 0.03 . 2 . . . . . . . . 4779 1 193 . 1 1 19 19 VAL C C 13 176.00 0.50 . 1 . . . . . . . . 4779 1 194 . 1 1 19 19 VAL CA C 13 64.60 0.50 . 1 . . . . . . . . 4779 1 195 . 1 1 19 19 VAL CB C 13 31.90 0.50 . 1 . . . . . . . . 4779 1 196 . 1 1 19 19 VAL CG1 C 13 21.30 0.50 . 1 . . . . . . . . 4779 1 197 . 1 1 19 19 VAL CG2 C 13 21.30 0.50 . 1 . . . . . . . . 4779 1 198 . 1 1 19 19 VAL N N 15 121.90 0.25 . 1 . . . . . . . . 4779 1 199 . 1 1 20 20 ARG H H 1 8.65 0.03 . 1 . . . . . . . . 4779 1 200 . 1 1 20 20 ARG HA H 1 4.75 0.03 . 1 . . . . . . . . 4779 1 201 . 1 1 20 20 ARG HB2 H 1 2.03 0.03 . 2 . . . . . . . . 4779 1 202 . 1 1 20 20 ARG HB3 H 1 1.85 0.03 . 2 . . . . . . . . 4779 1 203 . 1 1 20 20 ARG HG2 H 1 1.58 0.03 . 2 . . . . . . . . 4779 1 204 . 1 1 20 20 ARG HG3 H 1 1.79 0.03 . 2 . . . . . . . . 4779 1 205 . 1 1 20 20 ARG HD2 H 1 3.35 0.03 . 2 . . . . . . . . 4779 1 206 . 1 1 20 20 ARG HD3 H 1 3.57 0.03 . 2 . . . . . . . . 4779 1 207 . 1 1 20 20 ARG C C 13 175.90 0.50 . 1 . . . . . . . . 4779 1 208 . 1 1 20 20 ARG CA C 13 52.40 0.50 . 1 . . . . . . . . 4779 1 209 . 1 1 20 20 ARG CB C 13 34.40 0.50 . 1 . . . . . . . . 4779 1 210 . 1 1 20 20 ARG CG C 13 26.50 0.50 . 1 . . . . . . . . 4779 1 211 . 1 1 20 20 ARG CD C 13 43.20 0.50 . 1 . . . . . . . . 4779 1 212 . 1 1 20 20 ARG N N 15 127.50 0.25 . 1 . . . . . . . . 4779 1 213 . 1 1 21 21 PHE H H 1 8.60 0.03 . 1 . . . . . . . . 4779 1 214 . 1 1 21 21 PHE HA H 1 4.91 0.03 . 1 . . . . . . . . 4779 1 215 . 1 1 21 21 PHE HB2 H 1 3.06 0.03 . 2 . . . . . . . . 4779 1 216 . 1 1 21 21 PHE HB3 H 1 3.22 0.03 . 2 . . . . . . . . 4779 1 217 . 1 1 21 21 PHE HD2 H 1 7.36 0.03 . 3 . . . . . . . . 4779 1 218 . 1 1 21 21 PHE C C 13 176.20 0.50 . 1 . . . . . . . . 4779 1 219 . 1 1 21 21 PHE CA C 13 59.20 0.50 . 1 . . . . . . . . 4779 1 220 . 1 1 21 21 PHE CB C 13 39.00 0.50 . 1 . . . . . . . . 4779 1 221 . 1 1 21 21 PHE N N 15 120.30 0.25 . 1 . . . . . . . . 4779 1 222 . 1 1 22 22 SER H H 1 8.14 0.03 . 1 . . . . . . . . 4779 1 223 . 1 1 22 22 SER HA H 1 4.83 0.03 . 1 . . . . . . . . 4779 1 224 . 1 1 22 22 SER HB2 H 1 3.88 0.03 . 2 . . . . . . . . 4779 1 225 . 1 1 22 22 SER HB3 H 1 3.19 0.03 . 2 . . . . . . . . 4779 1 226 . 1 1 22 22 SER C C 13 173.20 0.50 . 1 . . . . . . . . 4779 1 227 . 1 1 22 22 SER CA C 13 56.20 0.50 . 1 . . . . . . . . 4779 1 228 . 1 1 22 22 SER CB C 13 66.60 0.50 . 1 . . . . . . . . 4779 1 229 . 1 1 22 22 SER N N 15 117.30 0.25 . 1 . . . . . . . . 4779 1 230 . 1 1 23 23 THR H H 1 8.33 0.03 . 1 . . . . . . . . 4779 1 231 . 1 1 23 23 THR HA H 1 4.50 0.03 . 1 . . . . . . . . 4779 1 232 . 1 1 23 23 THR HB H 1 4.60 0.03 . 1 . . . . . . . . 4779 1 233 . 1 1 23 23 THR HG21 H 1 1.25 0.03 . 1 . . . . . . . . 4779 1 234 . 1 1 23 23 THR HG22 H 1 1.25 0.03 . 1 . . . . . . . . 4779 1 235 . 1 1 23 23 THR HG23 H 1 1.25 0.03 . 1 . . . . . . . . 4779 1 236 . 1 1 23 23 THR C C 13 175.10 0.50 . 1 . . . . . . . . 4779 1 237 . 1 1 23 23 THR CA C 13 60.80 0.50 . 1 . . . . . . . . 4779 1 238 . 1 1 23 23 THR CB C 13 68.90 0.50 . 1 . . . . . . . . 4779 1 239 . 1 1 23 23 THR CG2 C 13 21.60 0.50 . 1 . . . . . . . . 4779 1 240 . 1 1 23 23 THR N N 15 113.40 0.25 . 1 . . . . . . . . 4779 1 241 . 1 1 24 24 CYS H H 1 8.58 0.03 . 1 . . . . . . . . 4779 1 242 . 1 1 24 24 CYS HA H 1 4.45 0.03 . 1 . . . . . . . . 4779 1 243 . 1 1 24 24 CYS HB2 H 1 3.13 0.03 . 2 . . . . . . . . 4779 1 244 . 1 1 24 24 CYS HB3 H 1 3.35 0.03 . 2 . . . . . . . . 4779 1 245 . 1 1 24 24 CYS C C 13 173.40 0.50 . 1 . . . . . . . . 4779 1 246 . 1 1 24 24 CYS CA C 13 56.80 0.50 . 1 . . . . . . . . 4779 1 247 . 1 1 24 24 CYS CB C 13 40.60 0.50 . 1 . . . . . . . . 4779 1 248 . 1 1 24 24 CYS N N 15 123.30 0.25 . 1 . . . . . . . . 4779 1 249 . 1 1 25 25 ASP H H 1 8.14 0.03 . 1 . . . . . . . . 4779 1 250 . 1 1 25 25 ASP HA H 1 4.80 0.03 . 1 . . . . . . . . 4779 1 251 . 1 1 25 25 ASP HB2 H 1 2.74 0.03 . 2 . . . . . . . . 4779 1 252 . 1 1 25 25 ASP HB3 H 1 2.49 0.03 . 2 . . . . . . . . 4779 1 253 . 1 1 25 25 ASP C C 13 174.90 0.50 . 1 . . . . . . . . 4779 1 254 . 1 1 25 25 ASP CA C 13 53.40 0.50 . 1 . . . . . . . . 4779 1 255 . 1 1 25 25 ASP CB C 13 42.50 0.50 . 1 . . . . . . . . 4779 1 256 . 1 1 25 25 ASP N N 15 126.20 0.25 . 1 . . . . . . . . 4779 1 257 . 1 1 26 26 ASN H H 1 7.91 0.03 . 1 . . . . . . . . 4779 1 258 . 1 1 26 26 ASN HA H 1 2.92 0.03 . 1 . . . . . . . . 4779 1 259 . 1 1 26 26 ASN HB2 H 1 1.68 0.03 . 2 . . . . . . . . 4779 1 260 . 1 1 26 26 ASN HB3 H 1 1.39 0.03 . 2 . . . . . . . . 4779 1 261 . 1 1 26 26 ASN C C 13 173.70 0.50 . 1 . . . . . . . . 4779 1 262 . 1 1 26 26 ASN CA C 13 52.60 0.50 . 1 . . . . . . . . 4779 1 263 . 1 1 26 26 ASN CB C 13 36.60 0.50 . 1 . . . . . . . . 4779 1 264 . 1 1 26 26 ASN N N 15 118.60 0.25 . 1 . . . . . . . . 4779 1 265 . 1 1 27 27 GLN H H 1 7.39 0.03 . 1 . . . . . . . . 4779 1 266 . 1 1 27 27 GLN HA H 1 4.06 0.03 . 1 . . . . . . . . 4779 1 267 . 1 1 27 27 GLN HB2 H 1 2.00 0.03 . 2 . . . . . . . . 4779 1 268 . 1 1 27 27 GLN HB3 H 1 1.60 0.03 . 2 . . . . . . . . 4779 1 269 . 1 1 27 27 GLN HG2 H 1 2.10 0.03 . 2 . . . . . . . . 4779 1 270 . 1 1 27 27 GLN C C 13 175.20 0.50 . 1 . . . . . . . . 4779 1 271 . 1 1 27 27 GLN CA C 13 54.60 0.50 . 1 . . . . . . . . 4779 1 272 . 1 1 27 27 GLN CB C 13 31.80 0.50 . 1 . . . . . . . . 4779 1 273 . 1 1 27 27 GLN CG C 13 33.80 0.50 . 1 . . . . . . . . 4779 1 274 . 1 1 27 27 GLN N N 15 114.90 0.25 . 1 . . . . . . . . 4779 1 275 . 1 1 28 28 LYS H H 1 8.50 0.03 . 1 . . . . . . . . 4779 1 276 . 1 1 28 28 LYS HA H 1 4.13 0.03 . 1 . . . . . . . . 4779 1 277 . 1 1 28 28 LYS HB2 H 1 1.88 0.03 . 2 . . . . . . . . 4779 1 278 . 1 1 28 28 LYS HG2 H 1 1.46 0.03 . 2 . . . . . . . . 4779 1 279 . 1 1 28 28 LYS HG3 H 1 1.32 0.03 . 2 . . . . . . . . 4779 1 280 . 1 1 28 28 LYS HD2 H 1 1.63 0.03 . 2 . . . . . . . . 4779 1 281 . 1 1 28 28 LYS HE2 H 1 2.95 0.03 . 2 . . . . . . . . 4779 1 282 . 1 1 28 28 LYS C C 13 175.50 0.50 . 1 . . . . . . . . 4779 1 283 . 1 1 28 28 LYS CA C 13 58.00 0.50 . 1 . . . . . . . . 4779 1 284 . 1 1 28 28 LYS CB C 13 32.30 0.50 . 1 . . . . . . . . 4779 1 285 . 1 1 28 28 LYS CG C 13 25.20 0.50 . 1 . . . . . . . . 4779 1 286 . 1 1 28 28 LYS CD C 13 29.20 0.50 . 1 . . . . . . . . 4779 1 287 . 1 1 28 28 LYS CE C 13 42.40 0.50 . 1 . . . . . . . . 4779 1 288 . 1 1 28 28 LYS N N 15 118.80 0.25 . 1 . . . . . . . . 4779 1 289 . 1 1 29 29 SER H H 1 7.77 0.03 . 1 . . . . . . . . 4779 1 290 . 1 1 29 29 SER HA H 1 5.27 0.03 . 1 . . . . . . . . 4779 1 291 . 1 1 29 29 SER HB2 H 1 3.85 0.03 . 2 . . . . . . . . 4779 1 292 . 1 1 29 29 SER C C 13 172.70 0.50 . 1 . . . . . . . . 4779 1 293 . 1 1 29 29 SER CA C 13 57.50 0.50 . 1 . . . . . . . . 4779 1 294 . 1 1 29 29 SER CB C 13 65.20 0.50 . 1 . . . . . . . . 4779 1 295 . 1 1 29 29 SER N N 15 113.00 0.25 . 1 . . . . . . . . 4779 1 296 . 1 1 30 30 CYS H H 1 9.26 0.03 . 1 . . . . . . . . 4779 1 297 . 1 1 30 30 CYS HA H 1 4.85 0.03 . 1 . . . . . . . . 4779 1 298 . 1 1 30 30 CYS HB2 H 1 3.05 0.03 . 2 . . . . . . . . 4779 1 299 . 1 1 30 30 CYS HB3 H 1 3.33 0.03 . 2 . . . . . . . . 4779 1 300 . 1 1 30 30 CYS C C 13 172.60 0.50 . 1 . . . . . . . . 4779 1 301 . 1 1 30 30 CYS CA C 13 53.70 0.50 . 1 . . . . . . . . 4779 1 302 . 1 1 30 30 CYS CB C 13 46.70 0.50 . 1 . . . . . . . . 4779 1 303 . 1 1 30 30 CYS N N 15 119.30 0.25 . 1 . . . . . . . . 4779 1 304 . 1 1 31 31 MET H H 1 8.47 0.03 . 1 . . . . . . . . 4779 1 305 . 1 1 31 31 MET HA H 1 5.52 0.03 . 1 . . . . . . . . 4779 1 306 . 1 1 31 31 MET HB2 H 1 2.73 0.03 . 2 . . . . . . . . 4779 1 307 . 1 1 31 31 MET HB3 H 1 2.55 0.03 . 2 . . . . . . . . 4779 1 308 . 1 1 31 31 MET HG2 H 1 2.22 0.03 . 2 . . . . . . . . 4779 1 309 . 1 1 31 31 MET HG3 H 1 1.96 0.03 . 2 . . . . . . . . 4779 1 310 . 1 1 31 31 MET HE1 H 1 2.00 0.03 . 1 . . . . . . . . 4779 1 311 . 1 1 31 31 MET HE2 H 1 2.00 0.03 . 1 . . . . . . . . 4779 1 312 . 1 1 31 31 MET HE3 H 1 2.00 0.03 . 1 . . . . . . . . 4779 1 313 . 1 1 31 31 MET C C 13 178.90 0.50 . 1 . . . . . . . . 4779 1 314 . 1 1 31 31 MET CA C 13 53.10 0.50 . 1 . . . . . . . . 4779 1 315 . 1 1 31 31 MET CB C 13 31.70 0.50 . 1 . . . . . . . . 4779 1 316 . 1 1 31 31 MET CE C 13 16.10 0.50 . 1 . . . . . . . . 4779 1 317 . 1 1 31 31 MET N N 15 121.50 0.25 . 1 . . . . . . . . 4779 1 318 . 1 1 32 32 SER H H 1 9.28 0.03 . 1 . . . . . . . . 4779 1 319 . 1 1 32 32 SER HA H 1 3.78 0.03 . 1 . . . . . . . . 4779 1 320 . 1 1 32 32 SER HB2 H 1 3.70 0.03 . 2 . . . . . . . . 4779 1 321 . 1 1 32 32 SER HB3 H 1 4.57 0.03 . 2 . . . . . . . . 4779 1 322 . 1 1 32 32 SER C C 13 176.30 0.50 . 1 . . . . . . . . 4779 1 323 . 1 1 32 32 SER CA C 13 62.00 0.50 . 1 . . . . . . . . 4779 1 324 . 1 1 32 32 SER CB C 13 63.60 0.50 . 1 . . . . . . . . 4779 1 325 . 1 1 32 32 SER N N 15 116.90 0.25 . 1 . . . . . . . . 4779 1 326 . 1 1 33 33 ASN H H 1 9.03 0.03 . 1 . . . . . . . . 4779 1 327 . 1 1 33 33 ASN HA H 1 4.28 0.03 . 1 . . . . . . . . 4779 1 328 . 1 1 33 33 ASN HB2 H 1 3.26 0.03 . 2 . . . . . . . . 4779 1 329 . 1 1 33 33 ASN HB3 H 1 2.83 0.03 . 2 . . . . . . . . 4779 1 330 . 1 1 33 33 ASN C C 13 174.20 0.50 . 1 . . . . . . . . 4779 1 331 . 1 1 33 33 ASN CA C 13 54.50 0.50 . 1 . . . . . . . . 4779 1 332 . 1 1 33 33 ASN CB C 13 37.50 0.50 . 1 . . . . . . . . 4779 1 333 . 1 1 33 33 ASN N N 15 118.70 0.25 . 1 . . . . . . . . 4779 1 334 . 1 1 34 34 CYS H H 1 8.12 0.03 . 1 . . . . . . . . 4779 1 335 . 1 1 34 34 CYS HA H 1 5.02 0.03 . 1 . . . . . . . . 4779 1 336 . 1 1 34 34 CYS HB2 H 1 2.88 0.03 . 2 . . . . . . . . 4779 1 337 . 1 1 34 34 CYS HB3 H 1 3.12 0.03 . 2 . . . . . . . . 4779 1 338 . 1 1 34 34 CYS C C 13 174.80 0.50 . 1 . . . . . . . . 4779 1 339 . 1 1 34 34 CYS CA C 13 53.90 0.50 . 1 . . . . . . . . 4779 1 340 . 1 1 34 34 CYS CB C 13 37.50 0.50 . 1 . . . . . . . . 4779 1 341 . 1 1 34 34 CYS N N 15 116.50 0.25 . 1 . . . . . . . . 4779 1 342 . 1 1 35 35 SER H H 1 9.00 0.03 . 1 . . . . . . . . 4779 1 343 . 1 1 35 35 SER HA H 1 4.52 0.03 . 1 . . . . . . . . 4779 1 344 . 1 1 35 35 SER HB2 H 1 4.13 0.03 . 2 . . . . . . . . 4779 1 345 . 1 1 35 35 SER HB3 H 1 3.91 0.03 . 2 . . . . . . . . 4779 1 346 . 1 1 35 35 SER C C 13 173.00 0.50 . 1 . . . . . . . . 4779 1 347 . 1 1 35 35 SER CA C 13 58.90 0.50 . 1 . . . . . . . . 4779 1 348 . 1 1 35 35 SER CB C 13 63.40 0.50 . 1 . . . . . . . . 4779 1 349 . 1 1 35 35 SER N N 15 125.50 0.25 . 1 . . . . . . . . 4779 1 350 . 1 1 36 36 ILE H H 1 7.50 0.03 . 1 . . . . . . . . 4779 1 351 . 1 1 36 36 ILE HA H 1 4.18 0.03 . 1 . . . . . . . . 4779 1 352 . 1 1 36 36 ILE HB H 1 1.77 0.03 . 1 . . . . . . . . 4779 1 353 . 1 1 36 36 ILE HG12 H 1 0.95 0.03 . 2 . . . . . . . . 4779 1 354 . 1 1 36 36 ILE HG13 H 1 1.52 0.03 . 2 . . . . . . . . 4779 1 355 . 1 1 36 36 ILE HG21 H 1 0.77 0.03 . 1 . . . . . . . . 4779 1 356 . 1 1 36 36 ILE HG22 H 1 0.77 0.03 . 1 . . . . . . . . 4779 1 357 . 1 1 36 36 ILE HG23 H 1 0.77 0.03 . 1 . . . . . . . . 4779 1 358 . 1 1 36 36 ILE HD11 H 1 0.90 0.03 . 1 . . . . . . . . 4779 1 359 . 1 1 36 36 ILE HD12 H 1 0.90 0.03 . 1 . . . . . . . . 4779 1 360 . 1 1 36 36 ILE HD13 H 1 0.90 0.03 . 1 . . . . . . . . 4779 1 361 . 1 1 36 36 ILE C C 13 174.50 0.50 . 1 . . . . . . . . 4779 1 362 . 1 1 36 36 ILE CA C 13 61.60 0.50 . 1 . . . . . . . . 4779 1 363 . 1 1 36 36 ILE CB C 13 38.70 0.50 . 1 . . . . . . . . 4779 1 364 . 1 1 36 36 ILE CG1 C 13 26.80 0.50 . 1 . . . . . . . . 4779 1 365 . 1 1 36 36 ILE CG2 C 13 17.40 0.50 . 1 . . . . . . . . 4779 1 366 . 1 1 36 36 ILE CD1 C 13 13.10 0.50 . 1 . . . . . . . . 4779 1 367 . 1 1 36 36 ILE N N 15 123.50 0.25 . 1 . . . . . . . . 4779 1 368 . 1 1 37 37 THR H H 1 8.54 0.03 . 1 . . . . . . . . 4779 1 369 . 1 1 37 37 THR HA H 1 4.76 0.03 . 1 . . . . . . . . 4779 1 370 . 1 1 37 37 THR HB H 1 3.93 0.03 . 1 . . . . . . . . 4779 1 371 . 1 1 37 37 THR HG21 H 1 1.06 0.03 . 1 . . . . . . . . 4779 1 372 . 1 1 37 37 THR HG22 H 1 1.06 0.03 . 1 . . . . . . . . 4779 1 373 . 1 1 37 37 THR HG23 H 1 1.06 0.03 . 1 . . . . . . . . 4779 1 374 . 1 1 37 37 THR C C 13 174.10 0.50 . 1 . . . . . . . . 4779 1 375 . 1 1 37 37 THR CA C 13 62.00 0.50 . 1 . . . . . . . . 4779 1 376 . 1 1 37 37 THR CB C 13 69.50 0.50 . 1 . . . . . . . . 4779 1 377 . 1 1 37 37 THR CG2 C 13 23.60 0.50 . 1 . . . . . . . . 4779 1 378 . 1 1 37 37 THR N N 15 126.10 0.25 . 1 . . . . . . . . 4779 1 379 . 1 1 38 38 SER H H 1 9.06 0.03 . 1 . . . . . . . . 4779 1 380 . 1 1 38 38 SER HA H 1 4.88 0.03 . 1 . . . . . . . . 4779 1 381 . 1 1 38 38 SER HB2 H 1 3.57 0.03 . 2 . . . . . . . . 4779 1 382 . 1 1 38 38 SER HB3 H 1 3.80 0.03 . 2 . . . . . . . . 4779 1 383 . 1 1 38 38 SER C C 13 172.50 0.50 . 1 . . . . . . . . 4779 1 384 . 1 1 38 38 SER CA C 13 56.60 0.50 . 1 . . . . . . . . 4779 1 385 . 1 1 38 38 SER CB C 13 66.60 0.50 . 1 . . . . . . . . 4779 1 386 . 1 1 38 38 SER N N 15 122.60 0.25 . 1 . . . . . . . . 4779 1 387 . 1 1 39 39 ILE H H 1 8.29 0.03 . 1 . . . . . . . . 4779 1 388 . 1 1 39 39 ILE HA H 1 4.51 0.03 . 1 . . . . . . . . 4779 1 389 . 1 1 39 39 ILE HB H 1 1.66 0.03 . 1 . . . . . . . . 4779 1 390 . 1 1 39 39 ILE HG12 H 1 1.56 0.03 . 2 . . . . . . . . 4779 1 391 . 1 1 39 39 ILE HG13 H 1 1.04 0.03 . 2 . . . . . . . . 4779 1 392 . 1 1 39 39 ILE HG21 H 1 0.92 0.03 . 1 . . . . . . . . 4779 1 393 . 1 1 39 39 ILE HG22 H 1 0.92 0.03 . 1 . . . . . . . . 4779 1 394 . 1 1 39 39 ILE HG23 H 1 0.92 0.03 . 1 . . . . . . . . 4779 1 395 . 1 1 39 39 ILE HD11 H 1 0.86 0.03 . 1 . . . . . . . . 4779 1 396 . 1 1 39 39 ILE HD12 H 1 0.86 0.03 . 1 . . . . . . . . 4779 1 397 . 1 1 39 39 ILE HD13 H 1 0.86 0.03 . 1 . . . . . . . . 4779 1 398 . 1 1 39 39 ILE C C 13 177.20 0.50 . 1 . . . . . . . . 4779 1 399 . 1 1 39 39 ILE CA C 13 61.00 0.50 . 1 . . . . . . . . 4779 1 400 . 1 1 39 39 ILE CB C 13 38.90 0.50 . 1 . . . . . . . . 4779 1 401 . 1 1 39 39 ILE CG1 C 13 28.00 0.50 . 1 . . . . . . . . 4779 1 402 . 1 1 39 39 ILE CG2 C 13 17.60 0.50 . 1 . . . . . . . . 4779 1 403 . 1 1 39 39 ILE CD1 C 13 14.00 0.50 . 1 . . . . . . . . 4779 1 404 . 1 1 39 39 ILE N N 15 124.30 0.25 . 1 . . . . . . . . 4779 1 405 . 1 1 40 40 CYS H H 1 8.86 0.03 . 1 . . . . . . . . 4779 1 406 . 1 1 40 40 CYS HA H 1 4.82 0.03 . 1 . . . . . . . . 4779 1 407 . 1 1 40 40 CYS HB2 H 1 3.87 0.03 . 2 . . . . . . . . 4779 1 408 . 1 1 40 40 CYS HB3 H 1 3.00 0.03 . 2 . . . . . . . . 4779 1 409 . 1 1 40 40 CYS C C 13 175.10 0.50 . 1 . . . . . . . . 4779 1 410 . 1 1 40 40 CYS CA C 13 53.50 0.50 . 1 . . . . . . . . 4779 1 411 . 1 1 40 40 CYS CB C 13 37.10 0.50 . 1 . . . . . . . . 4779 1 412 . 1 1 40 40 CYS N N 15 127.40 0.25 . 1 . . . . . . . . 4779 1 413 . 1 1 41 41 GLU H H 1 8.95 0.03 . 1 . . . . . . . . 4779 1 414 . 1 1 41 41 GLU HA H 1 3.97 0.03 . 1 . . . . . . . . 4779 1 415 . 1 1 41 41 GLU HB2 H 1 2.12 0.03 . 2 . . . . . . . . 4779 1 416 . 1 1 41 41 GLU HB3 H 1 2.21 0.03 . 2 . . . . . . . . 4779 1 417 . 1 1 41 41 GLU HG2 H 1 2.46 0.03 . 2 . . . . . . . . 4779 1 418 . 1 1 41 41 GLU HG3 H 1 2.31 0.03 . 2 . . . . . . . . 4779 1 419 . 1 1 41 41 GLU C C 13 176.90 0.50 . 1 . . . . . . . . 4779 1 420 . 1 1 41 41 GLU CA C 13 59.30 0.50 . 1 . . . . . . . . 4779 1 421 . 1 1 41 41 GLU CB C 13 30.60 0.50 . 1 . . . . . . . . 4779 1 422 . 1 1 41 41 GLU CG C 13 36.60 0.50 . 1 . . . . . . . . 4779 1 423 . 1 1 41 41 GLU N N 15 120.50 0.25 . 1 . . . . . . . . 4779 1 424 . 1 1 42 42 LYS H H 1 7.72 0.03 . 1 . . . . . . . . 4779 1 425 . 1 1 42 42 LYS HA H 1 4.98 0.03 . 1 . . . . . . . . 4779 1 426 . 1 1 42 42 LYS HB2 H 1 2.02 0.03 . 2 . . . . . . . . 4779 1 427 . 1 1 42 42 LYS HB3 H 1 1.48 0.03 . 2 . . . . . . . . 4779 1 428 . 1 1 42 42 LYS HG2 H 1 1.39 0.03 . 2 . . . . . . . . 4779 1 429 . 1 1 42 42 LYS HD2 H 1 1.72 0.03 . 2 . . . . . . . . 4779 1 430 . 1 1 42 42 LYS HD3 H 1 1.61 0.03 . 2 . . . . . . . . 4779 1 431 . 1 1 42 42 LYS HE2 H 1 2.95 0.03 . 2 . . . . . . . . 4779 1 432 . 1 1 42 42 LYS C C 13 176.00 0.50 . 1 . . . . . . . . 4779 1 433 . 1 1 42 42 LYS CA C 13 52.50 0.50 . 1 . . . . . . . . 4779 1 434 . 1 1 42 42 LYS CB C 13 33.60 0.50 . 1 . . . . . . . . 4779 1 435 . 1 1 42 42 LYS CG C 13 25.00 0.50 . 1 . . . . . . . . 4779 1 436 . 1 1 42 42 LYS CD C 13 29.30 0.50 . 1 . . . . . . . . 4779 1 437 . 1 1 42 42 LYS CE C 13 41.80 0.50 . 1 . . . . . . . . 4779 1 438 . 1 1 42 42 LYS N N 15 114.70 0.25 . 1 . . . . . . . . 4779 1 439 . 1 1 43 43 PRO HA H 1 4.01 0.03 . 1 . . . . . . . . 4779 1 440 . 1 1 43 43 PRO HB2 H 1 2.18 0.03 . 2 . . . . . . . . 4779 1 441 . 1 1 43 43 PRO HB3 H 1 1.91 0.03 . 2 . . . . . . . . 4779 1 442 . 1 1 43 43 PRO HG2 H 1 2.15 0.03 . 2 . . . . . . . . 4779 1 443 . 1 1 43 43 PRO HG3 H 1 2.01 0.03 . 2 . . . . . . . . 4779 1 444 . 1 1 43 43 PRO HD2 H 1 3.91 0.03 . 2 . . . . . . . . 4779 1 445 . 1 1 43 43 PRO C C 13 175.70 0.50 . 1 . . . . . . . . 4779 1 446 . 1 1 43 43 PRO CA C 13 65.00 0.50 . 1 . . . . . . . . 4779 1 447 . 1 1 43 43 PRO CB C 13 32.00 0.50 . 1 . . . . . . . . 4779 1 448 . 1 1 43 43 PRO CG C 13 27.40 0.50 . 1 . . . . . . . . 4779 1 449 . 1 1 43 43 PRO CD C 13 50.90 0.50 . 1 . . . . . . . . 4779 1 450 . 1 1 44 44 GLN H H 1 8.54 0.03 . 1 . . . . . . . . 4779 1 451 . 1 1 44 44 GLN HA H 1 4.05 0.03 . 1 . . . . . . . . 4779 1 452 . 1 1 44 44 GLN HB2 H 1 2.01 0.03 . 2 . . . . . . . . 4779 1 453 . 1 1 44 44 GLN HG2 H 1 2.05 0.03 . 2 . . . . . . . . 4779 1 454 . 1 1 44 44 GLN HG3 H 1 2.45 0.03 . 2 . . . . . . . . 4779 1 455 . 1 1 44 44 GLN C C 13 176.30 0.50 . 1 . . . . . . . . 4779 1 456 . 1 1 44 44 GLN CA C 13 56.50 0.50 . 1 . . . . . . . . 4779 1 457 . 1 1 44 44 GLN CB C 13 27.40 0.50 . 1 . . . . . . . . 4779 1 458 . 1 1 44 44 GLN CG C 13 33.40 0.50 . 1 . . . . . . . . 4779 1 459 . 1 1 44 44 GLN N N 15 113.40 0.25 . 1 . . . . . . . . 4779 1 460 . 1 1 45 45 GLU H H 1 7.13 0.03 . 1 . . . . . . . . 4779 1 461 . 1 1 45 45 GLU HA H 1 4.07 0.03 . 1 . . . . . . . . 4779 1 462 . 1 1 45 45 GLU HB2 H 1 2.22 0.03 . 2 . . . . . . . . 4779 1 463 . 1 1 45 45 GLU HB3 H 1 1.86 0.03 . 2 . . . . . . . . 4779 1 464 . 1 1 45 45 GLU HG2 H 1 1.75 0.03 . 2 . . . . . . . . 4779 1 465 . 1 1 45 45 GLU HG3 H 1 2.24 0.03 . 2 . . . . . . . . 4779 1 466 . 1 1 45 45 GLU C C 13 175.70 0.50 . 1 . . . . . . . . 4779 1 467 . 1 1 45 45 GLU CA C 13 57.80 0.50 . 1 . . . . . . . . 4779 1 468 . 1 1 45 45 GLU CB C 13 30.70 0.50 . 1 . . . . . . . . 4779 1 469 . 1 1 45 45 GLU CG C 13 38.30 0.50 . 1 . . . . . . . . 4779 1 470 . 1 1 45 45 GLU N N 15 116.50 0.25 . 1 . . . . . . . . 4779 1 471 . 1 1 46 46 VAL H H 1 8.48 0.03 . 1 . . . . . . . . 4779 1 472 . 1 1 46 46 VAL HA H 1 4.83 0.03 . 1 . . . . . . . . 4779 1 473 . 1 1 46 46 VAL HB H 1 2.75 0.03 . 1 . . . . . . . . 4779 1 474 . 1 1 46 46 VAL HG11 H 1 1.02 0.03 . 2 . . . . . . . . 4779 1 475 . 1 1 46 46 VAL HG12 H 1 1.02 0.03 . 2 . . . . . . . . 4779 1 476 . 1 1 46 46 VAL HG13 H 1 1.02 0.03 . 2 . . . . . . . . 4779 1 477 . 1 1 46 46 VAL HG21 H 1 0.91 0.03 . 2 . . . . . . . . 4779 1 478 . 1 1 46 46 VAL HG22 H 1 0.91 0.03 . 2 . . . . . . . . 4779 1 479 . 1 1 46 46 VAL HG23 H 1 0.91 0.03 . 2 . . . . . . . . 4779 1 480 . 1 1 46 46 VAL C C 13 174.60 0.50 . 1 . . . . . . . . 4779 1 481 . 1 1 46 46 VAL CA C 13 58.70 0.50 . 1 . . . . . . . . 4779 1 482 . 1 1 46 46 VAL CB C 13 33.00 0.50 . 1 . . . . . . . . 4779 1 483 . 1 1 46 46 VAL CG1 C 13 21.80 0.50 . 2 . . . . . . . . 4779 1 484 . 1 1 46 46 VAL CG2 C 13 18.10 0.50 . 2 . . . . . . . . 4779 1 485 . 1 1 46 46 VAL N N 15 112.80 0.25 . 1 . . . . . . . . 4779 1 486 . 1 1 47 47 CYS H H 1 8.14 0.03 . 1 . . . . . . . . 4779 1 487 . 1 1 47 47 CYS HA H 1 5.28 0.03 . 1 . . . . . . . . 4779 1 488 . 1 1 47 47 CYS HB2 H 1 3.13 0.03 . 2 . . . . . . . . 4779 1 489 . 1 1 47 47 CYS HB3 H 1 3.01 0.03 . 2 . . . . . . . . 4779 1 490 . 1 1 47 47 CYS C C 13 174.90 0.50 . 1 . . . . . . . . 4779 1 491 . 1 1 47 47 CYS CA C 13 52.90 0.50 . 1 . . . . . . . . 4779 1 492 . 1 1 47 47 CYS CB C 13 35.50 0.50 . 1 . . . . . . . . 4779 1 493 . 1 1 47 47 CYS N N 15 115.20 0.25 . 1 . . . . . . . . 4779 1 494 . 1 1 48 48 VAL H H 1 8.58 0.03 . 1 . . . . . . . . 4779 1 495 . 1 1 48 48 VAL HA H 1 5.02 0.03 . 1 . . . . . . . . 4779 1 496 . 1 1 48 48 VAL HB H 1 1.54 0.03 . 1 . . . . . . . . 4779 1 497 . 1 1 48 48 VAL HG11 H 1 0.71 0.03 . 2 . . . . . . . . 4779 1 498 . 1 1 48 48 VAL HG12 H 1 0.71 0.03 . 2 . . . . . . . . 4779 1 499 . 1 1 48 48 VAL HG13 H 1 0.71 0.03 . 2 . . . . . . . . 4779 1 500 . 1 1 48 48 VAL HG21 H 1 0.67 0.03 . 2 . . . . . . . . 4779 1 501 . 1 1 48 48 VAL HG22 H 1 0.67 0.03 . 2 . . . . . . . . 4779 1 502 . 1 1 48 48 VAL HG23 H 1 0.67 0.03 . 2 . . . . . . . . 4779 1 503 . 1 1 48 48 VAL C C 13 176.20 0.50 . 1 . . . . . . . . 4779 1 504 . 1 1 48 48 VAL CA C 13 60.60 0.50 . 1 . . . . . . . . 4779 1 505 . 1 1 48 48 VAL CB C 13 36.40 0.50 . 1 . . . . . . . . 4779 1 506 . 1 1 48 48 VAL CG1 C 13 22.10 0.50 . 2 . . . . . . . . 4779 1 507 . 1 1 48 48 VAL CG2 C 13 24.40 0.50 . 2 . . . . . . . . 4779 1 508 . 1 1 48 48 VAL N N 15 118.60 0.25 . 1 . . . . . . . . 4779 1 509 . 1 1 49 49 ALA H H 1 9.02 0.03 . 1 . . . . . . . . 4779 1 510 . 1 1 49 49 ALA HA H 1 5.97 0.03 . 1 . . . . . . . . 4779 1 511 . 1 1 49 49 ALA HB1 H 1 1.43 0.03 . 1 . . . . . . . . 4779 1 512 . 1 1 49 49 ALA HB2 H 1 1.43 0.03 . 1 . . . . . . . . 4779 1 513 . 1 1 49 49 ALA HB3 H 1 1.43 0.03 . 1 . . . . . . . . 4779 1 514 . 1 1 49 49 ALA C C 13 175.80 0.50 . 1 . . . . . . . . 4779 1 515 . 1 1 49 49 ALA CA C 13 51.00 0.50 . 1 . . . . . . . . 4779 1 516 . 1 1 49 49 ALA CB C 13 23.00 0.50 . 1 . . . . . . . . 4779 1 517 . 1 1 49 49 ALA N N 15 129.20 0.25 . 1 . . . . . . . . 4779 1 518 . 1 1 50 50 VAL H H 1 8.98 0.03 . 1 . . . . . . . . 4779 1 519 . 1 1 50 50 VAL HA H 1 4.95 0.03 . 1 . . . . . . . . 4779 1 520 . 1 1 50 50 VAL HB H 1 2.24 0.03 . 1 . . . . . . . . 4779 1 521 . 1 1 50 50 VAL HG11 H 1 0.89 0.03 . 2 . . . . . . . . 4779 1 522 . 1 1 50 50 VAL HG12 H 1 0.89 0.03 . 2 . . . . . . . . 4779 1 523 . 1 1 50 50 VAL HG13 H 1 0.89 0.03 . 2 . . . . . . . . 4779 1 524 . 1 1 50 50 VAL HG21 H 1 0.63 0.03 . 2 . . . . . . . . 4779 1 525 . 1 1 50 50 VAL HG22 H 1 0.63 0.03 . 2 . . . . . . . . 4779 1 526 . 1 1 50 50 VAL HG23 H 1 0.63 0.03 . 2 . . . . . . . . 4779 1 527 . 1 1 50 50 VAL C C 13 174.80 0.50 . 1 . . . . . . . . 4779 1 528 . 1 1 50 50 VAL CA C 13 60.90 0.50 . 1 . . . . . . . . 4779 1 529 . 1 1 50 50 VAL CB C 13 35.20 0.50 . 1 . . . . . . . . 4779 1 530 . 1 1 50 50 VAL CG1 C 13 21.40 0.50 . 2 . . . . . . . . 4779 1 531 . 1 1 50 50 VAL CG2 C 13 22.30 0.50 . 2 . . . . . . . . 4779 1 532 . 1 1 50 50 VAL N N 15 120.10 0.25 . 1 . . . . . . . . 4779 1 533 . 1 1 51 51 TRP H H 1 9.91 0.03 . 1 . . . . . . . . 4779 1 534 . 1 1 51 51 TRP HA H 1 5.59 0.03 . 1 . . . . . . . . 4779 1 535 . 1 1 51 51 TRP HB2 H 1 3.50 0.03 . 2 . . . . . . . . 4779 1 536 . 1 1 51 51 TRP HB3 H 1 2.89 0.03 . 2 . . . . . . . . 4779 1 537 . 1 1 51 51 TRP HZ2 H 1 7.48 0.03 . 1 . . . . . . . . 4779 1 538 . 1 1 51 51 TRP HZ3 H 1 7.75 0.03 . 1 . . . . . . . . 4779 1 539 . 1 1 51 51 TRP HE3 H 1 6.96 0.03 . 1 . . . . . . . . 4779 1 540 . 1 1 51 51 TRP HH2 H 1 6.98 0.03 . 1 . . . . . . . . 4779 1 541 . 1 1 51 51 TRP HD1 H 1 6.83 0.03 . 1 . . . . . . . . 4779 1 542 . 1 1 51 51 TRP HE1 H 1 9.92 0.03 . 1 . . . . . . . . 4779 1 543 . 1 1 51 51 TRP C C 13 174.10 0.50 . 1 . . . . . . . . 4779 1 544 . 1 1 51 51 TRP CA C 13 56.90 0.50 . 1 . . . . . . . . 4779 1 545 . 1 1 51 51 TRP CB C 13 34.10 0.50 . 1 . . . . . . . . 4779 1 546 . 1 1 51 51 TRP CZ2 C 13 114.60 0.50 . 1 . . . . . . . . 4779 1 547 . 1 1 51 51 TRP CZ3 C 13 121.30 0.50 . 1 . . . . . . . . 4779 1 548 . 1 1 51 51 TRP CE3 C 13 121.20 0.50 . 1 . . . . . . . . 4779 1 549 . 1 1 51 51 TRP CH2 C 13 124.90 0.50 . 1 . . . . . . . . 4779 1 550 . 1 1 51 51 TRP CD1 C 13 125.00 0.50 . 1 . . . . . . . . 4779 1 551 . 1 1 51 51 TRP N N 15 134.50 0.25 . 1 . . . . . . . . 4779 1 552 . 1 1 51 51 TRP NE1 N 15 131.10 0.25 . 1 . . . . . . . . 4779 1 553 . 1 1 52 52 ARG H H 1 8.31 0.03 . 1 . . . . . . . . 4779 1 554 . 1 1 52 52 ARG HA H 1 5.03 0.03 . 1 . . . . . . . . 4779 1 555 . 1 1 52 52 ARG HB2 H 1 1.42 0.03 . 2 . . . . . . . . 4779 1 556 . 1 1 52 52 ARG HB3 H 1 1.72 0.03 . 2 . . . . . . . . 4779 1 557 . 1 1 52 52 ARG HG2 H 1 1.35 0.03 . 2 . . . . . . . . 4779 1 558 . 1 1 52 52 ARG HG3 H 1 1.39 0.03 . 2 . . . . . . . . 4779 1 559 . 1 1 52 52 ARG HD2 H 1 2.67 0.03 . 2 . . . . . . . . 4779 1 560 . 1 1 52 52 ARG HD3 H 1 2.84 0.03 . 2 . . . . . . . . 4779 1 561 . 1 1 52 52 ARG C C 13 173.00 0.50 . 1 . . . . . . . . 4779 1 562 . 1 1 52 52 ARG CA C 13 54.70 0.50 . 1 . . . . . . . . 4779 1 563 . 1 1 52 52 ARG CB C 13 35.10 0.50 . 1 . . . . . . . . 4779 1 564 . 1 1 52 52 ARG CG C 13 27.10 0.50 . 1 . . . . . . . . 4779 1 565 . 1 1 52 52 ARG CD C 13 44.30 0.50 . 1 . . . . . . . . 4779 1 566 . 1 1 52 52 ARG N N 15 125.70 0.25 . 1 . . . . . . . . 4779 1 567 . 1 1 53 53 LYS H H 1 8.49 0.03 . 1 . . . . . . . . 4779 1 568 . 1 1 53 53 LYS HA H 1 4.65 0.03 . 1 . . . . . . . . 4779 1 569 . 1 1 53 53 LYS HB2 H 1 1.49 0.03 . 2 . . . . . . . . 4779 1 570 . 1 1 53 53 LYS HB3 H 1 1.02 0.03 . 2 . . . . . . . . 4779 1 571 . 1 1 53 53 LYS HG2 H 1 1.36 0.03 . 2 . . . . . . . . 4779 1 572 . 1 1 53 53 LYS HD2 H 1 1.73 0.03 . 2 . . . . . . . . 4779 1 573 . 1 1 53 53 LYS HE2 H 1 2.96 0.03 . 2 . . . . . . . . 4779 1 574 . 1 1 53 53 LYS C C 13 175.10 0.50 . 1 . . . . . . . . 4779 1 575 . 1 1 53 53 LYS CA C 13 55.00 0.50 . 1 . . . . . . . . 4779 1 576 . 1 1 53 53 LYS CB C 13 35.90 0.50 . 1 . . . . . . . . 4779 1 577 . 1 1 53 53 LYS CG C 13 25.50 0.50 . 1 . . . . . . . . 4779 1 578 . 1 1 53 53 LYS CD C 13 30.20 0.50 . 1 . . . . . . . . 4779 1 579 . 1 1 53 53 LYS CE C 13 42.40 0.50 . 1 . . . . . . . . 4779 1 580 . 1 1 53 53 LYS N N 15 122.70 0.25 . 1 . . . . . . . . 4779 1 581 . 1 1 54 54 ASN H H 1 8.40 0.03 . 1 . . . . . . . . 4779 1 582 . 1 1 54 54 ASN HA H 1 4.98 0.03 . 1 . . . . . . . . 4779 1 583 . 1 1 54 54 ASN HB2 H 1 2.95 0.03 . 2 . . . . . . . . 4779 1 584 . 1 1 54 54 ASN HB3 H 1 2.79 0.03 . 2 . . . . . . . . 4779 1 585 . 1 1 54 54 ASN C C 13 174.30 0.50 . 1 . . . . . . . . 4779 1 586 . 1 1 54 54 ASN CA C 13 52.00 0.50 . 1 . . . . . . . . 4779 1 587 . 1 1 54 54 ASN CB C 13 41.00 0.50 . 1 . . . . . . . . 4779 1 588 . 1 1 54 54 ASN N N 15 126.00 0.25 . 1 . . . . . . . . 4779 1 589 . 1 1 55 55 ASP H H 1 8.83 0.03 . 1 . . . . . . . . 4779 1 590 . 1 1 55 55 ASP HA H 1 4.27 0.03 . 1 . . . . . . . . 4779 1 591 . 1 1 55 55 ASP HB2 H 1 2.86 0.03 . 2 . . . . . . . . 4779 1 592 . 1 1 55 55 ASP HB3 H 1 2.75 0.03 . 2 . . . . . . . . 4779 1 593 . 1 1 55 55 ASP C C 13 175.70 0.50 . 1 . . . . . . . . 4779 1 594 . 1 1 55 55 ASP CA C 13 56.70 0.50 . 1 . . . . . . . . 4779 1 595 . 1 1 55 55 ASP CB C 13 39.70 0.50 . 1 . . . . . . . . 4779 1 596 . 1 1 55 55 ASP N N 15 121.20 0.25 . 1 . . . . . . . . 4779 1 597 . 1 1 56 56 GLU H H 1 8.49 0.03 . 1 . . . . . . . . 4779 1 598 . 1 1 56 56 GLU HA H 1 4.29 0.03 . 1 . . . . . . . . 4779 1 599 . 1 1 56 56 GLU HB2 H 1 2.16 0.03 . 2 . . . . . . . . 4779 1 600 . 1 1 56 56 GLU HB3 H 1 1.99 0.03 . 2 . . . . . . . . 4779 1 601 . 1 1 56 56 GLU HG2 H 1 2.00 0.03 . 2 . . . . . . . . 4779 1 602 . 1 1 56 56 GLU C C 13 175.80 0.50 . 1 . . . . . . . . 4779 1 603 . 1 1 56 56 GLU CA C 13 57.20 0.50 . 1 . . . . . . . . 4779 1 604 . 1 1 56 56 GLU CB C 13 30.40 0.50 . 1 . . . . . . . . 4779 1 605 . 1 1 56 56 GLU CG C 13 36.10 0.50 . 1 . . . . . . . . 4779 1 606 . 1 1 56 56 GLU N N 15 117.20 0.25 . 1 . . . . . . . . 4779 1 607 . 1 1 57 57 ASN H H 1 8.22 0.03 . 1 . . . . . . . . 4779 1 608 . 1 1 57 57 ASN HA H 1 4.83 0.03 . 1 . . . . . . . . 4779 1 609 . 1 1 57 57 ASN HB2 H 1 2.79 0.03 . 2 . . . . . . . . 4779 1 610 . 1 1 57 57 ASN C C 13 173.10 0.50 . 1 . . . . . . . . 4779 1 611 . 1 1 57 57 ASN CA C 13 53.40 0.50 . 1 . . . . . . . . 4779 1 612 . 1 1 57 57 ASN CB C 13 40.90 0.50 . 1 . . . . . . . . 4779 1 613 . 1 1 57 57 ASN N N 15 117.60 0.25 . 1 . . . . . . . . 4779 1 614 . 1 1 58 58 ILE H H 1 8.31 0.03 . 1 . . . . . . . . 4779 1 615 . 1 1 58 58 ILE HA H 1 4.68 0.03 . 1 . . . . . . . . 4779 1 616 . 1 1 58 58 ILE HB H 1 1.86 0.03 . 1 . . . . . . . . 4779 1 617 . 1 1 58 58 ILE HG12 H 1 0.56 0.03 . 2 . . . . . . . . 4779 1 618 . 1 1 58 58 ILE HG13 H 1 1.53 0.03 . 2 . . . . . . . . 4779 1 619 . 1 1 58 58 ILE HG21 H 1 0.46 0.03 . 1 . . . . . . . . 4779 1 620 . 1 1 58 58 ILE HG22 H 1 0.46 0.03 . 1 . . . . . . . . 4779 1 621 . 1 1 58 58 ILE HG23 H 1 0.46 0.03 . 1 . . . . . . . . 4779 1 622 . 1 1 58 58 ILE HD11 H 1 0.90 0.03 . 1 . . . . . . . . 4779 1 623 . 1 1 58 58 ILE HD12 H 1 0.90 0.03 . 1 . . . . . . . . 4779 1 624 . 1 1 58 58 ILE HD13 H 1 0.90 0.03 . 1 . . . . . . . . 4779 1 625 . 1 1 58 58 ILE C C 13 176.50 0.50 . 1 . . . . . . . . 4779 1 626 . 1 1 58 58 ILE CA C 13 60.70 0.50 . 1 . . . . . . . . 4779 1 627 . 1 1 58 58 ILE CB C 13 39.50 0.50 . 1 . . . . . . . . 4779 1 628 . 1 1 58 58 ILE CG1 C 13 28.30 0.50 . 1 . . . . . . . . 4779 1 629 . 1 1 58 58 ILE CG2 C 13 17.90 0.50 . 1 . . . . . . . . 4779 1 630 . 1 1 58 58 ILE CD1 C 13 14.20 0.50 . 1 . . . . . . . . 4779 1 631 . 1 1 58 58 ILE N N 15 124.30 0.25 . 1 . . . . . . . . 4779 1 632 . 1 1 59 59 THR H H 1 8.70 0.03 . 1 . . . . . . . . 4779 1 633 . 1 1 59 59 THR HA H 1 5.07 0.03 . 1 . . . . . . . . 4779 1 634 . 1 1 59 59 THR HB H 1 3.88 0.03 . 1 . . . . . . . . 4779 1 635 . 1 1 59 59 THR HG21 H 1 0.79 0.03 . 1 . . . . . . . . 4779 1 636 . 1 1 59 59 THR HG22 H 1 0.79 0.03 . 1 . . . . . . . . 4779 1 637 . 1 1 59 59 THR HG23 H 1 0.79 0.03 . 1 . . . . . . . . 4779 1 638 . 1 1 59 59 THR C C 13 172.10 0.50 . 1 . . . . . . . . 4779 1 639 . 1 1 59 59 THR CA C 13 58.50 0.50 . 1 . . . . . . . . 4779 1 640 . 1 1 59 59 THR CB C 13 73.00 0.50 . 1 . . . . . . . . 4779 1 641 . 1 1 59 59 THR CG2 C 13 21.40 0.50 . 1 . . . . . . . . 4779 1 642 . 1 1 59 59 THR N N 15 115.90 0.25 . 1 . . . . . . . . 4779 1 643 . 1 1 60 60 LEU H H 1 9.15 0.03 . 1 . . . . . . . . 4779 1 644 . 1 1 60 60 LEU HA H 1 5.49 0.03 . 1 . . . . . . . . 4779 1 645 . 1 1 60 60 LEU HB2 H 1 1.35 0.03 . 2 . . . . . . . . 4779 1 646 . 1 1 60 60 LEU HB3 H 1 1.99 0.03 . 2 . . . . . . . . 4779 1 647 . 1 1 60 60 LEU HG H 1 1.62 0.03 . 1 . . . . . . . . 4779 1 648 . 1 1 60 60 LEU HD11 H 1 1.07 0.03 . 2 . . . . . . . . 4779 1 649 . 1 1 60 60 LEU HD12 H 1 1.07 0.03 . 2 . . . . . . . . 4779 1 650 . 1 1 60 60 LEU HD13 H 1 1.07 0.03 . 2 . . . . . . . . 4779 1 651 . 1 1 60 60 LEU HD21 H 1 1.00 0.03 . 2 . . . . . . . . 4779 1 652 . 1 1 60 60 LEU HD22 H 1 1.00 0.03 . 2 . . . . . . . . 4779 1 653 . 1 1 60 60 LEU HD23 H 1 1.00 0.03 . 2 . . . . . . . . 4779 1 654 . 1 1 60 60 LEU C C 13 174.70 0.50 . 1 . . . . . . . . 4779 1 655 . 1 1 60 60 LEU CA C 13 53.20 0.50 . 1 . . . . . . . . 4779 1 656 . 1 1 60 60 LEU CB C 13 46.90 0.50 . 1 . . . . . . . . 4779 1 657 . 1 1 60 60 LEU CG C 13 28.00 0.50 . 1 . . . . . . . . 4779 1 658 . 1 1 60 60 LEU CD1 C 13 24.40 0.50 . 2 . . . . . . . . 4779 1 659 . 1 1 60 60 LEU CD2 C 13 27.30 0.50 . 2 . . . . . . . . 4779 1 660 . 1 1 60 60 LEU N N 15 120.60 0.25 . 1 . . . . . . . . 4779 1 661 . 1 1 61 61 GLU H H 1 9.68 0.03 . 1 . . . . . . . . 4779 1 662 . 1 1 61 61 GLU HA H 1 5.71 0.03 . 1 . . . . . . . . 4779 1 663 . 1 1 61 61 GLU HB2 H 1 2.25 0.03 . 2 . . . . . . . . 4779 1 664 . 1 1 61 61 GLU HB3 H 1 1.86 0.03 . 2 . . . . . . . . 4779 1 665 . 1 1 61 61 GLU HG2 H 1 2.01 0.03 . 2 . . . . . . . . 4779 1 666 . 1 1 61 61 GLU C C 13 176.00 0.50 . 1 . . . . . . . . 4779 1 667 . 1 1 61 61 GLU CA C 13 52.80 0.50 . 1 . . . . . . . . 4779 1 668 . 1 1 61 61 GLU CB C 13 32.90 0.50 . 1 . . . . . . . . 4779 1 669 . 1 1 61 61 GLU CG C 13 36.30 0.50 . 1 . . . . . . . . 4779 1 670 . 1 1 61 61 GLU N N 15 131.30 0.25 . 1 . . . . . . . . 4779 1 671 . 1 1 62 62 THR H H 1 8.05 0.03 . 1 . . . . . . . . 4779 1 672 . 1 1 62 62 THR HA H 1 5.23 0.03 . 1 . . . . . . . . 4779 1 673 . 1 1 62 62 THR HB H 1 3.98 0.03 . 1 . . . . . . . . 4779 1 674 . 1 1 62 62 THR HG21 H 1 1.21 0.03 . 1 . . . . . . . . 4779 1 675 . 1 1 62 62 THR HG22 H 1 1.21 0.03 . 1 . . . . . . . . 4779 1 676 . 1 1 62 62 THR HG23 H 1 1.21 0.03 . 1 . . . . . . . . 4779 1 677 . 1 1 62 62 THR C C 13 174.10 0.50 . 1 . . . . . . . . 4779 1 678 . 1 1 62 62 THR CA C 13 58.10 0.50 . 1 . . . . . . . . 4779 1 679 . 1 1 62 62 THR CB C 13 70.80 0.50 . 1 . . . . . . . . 4779 1 680 . 1 1 62 62 THR CG2 C 13 22.70 0.50 . 1 . . . . . . . . 4779 1 681 . 1 1 62 62 THR N N 15 116.20 0.25 . 1 . . . . . . . . 4779 1 682 . 1 1 63 63 VAL H H 1 7.49 0.03 . 1 . . . . . . . . 4779 1 683 . 1 1 63 63 VAL HA H 1 3.97 0.03 . 1 . . . . . . . . 4779 1 684 . 1 1 63 63 VAL HB H 1 1.85 0.03 . 1 . . . . . . . . 4779 1 685 . 1 1 63 63 VAL HG11 H 1 1.02 0.03 . 2 . . . . . . . . 4779 1 686 . 1 1 63 63 VAL HG12 H 1 1.02 0.03 . 2 . . . . . . . . 4779 1 687 . 1 1 63 63 VAL HG13 H 1 1.02 0.03 . 2 . . . . . . . . 4779 1 688 . 1 1 63 63 VAL HG21 H 1 0.22 0.03 . 2 . . . . . . . . 4779 1 689 . 1 1 63 63 VAL HG22 H 1 0.22 0.03 . 2 . . . . . . . . 4779 1 690 . 1 1 63 63 VAL HG23 H 1 0.22 0.03 . 2 . . . . . . . . 4779 1 691 . 1 1 63 63 VAL C C 13 175.70 0.50 . 1 . . . . . . . . 4779 1 692 . 1 1 63 63 VAL CA C 13 59.20 0.50 . 1 . . . . . . . . 4779 1 693 . 1 1 63 63 VAL CB C 13 38.00 0.50 . 1 . . . . . . . . 4779 1 694 . 1 1 63 63 VAL CG1 C 13 23.30 0.50 . 2 . . . . . . . . 4779 1 695 . 1 1 63 63 VAL CG2 C 13 18.30 0.50 . 2 . . . . . . . . 4779 1 696 . 1 1 63 63 VAL N N 15 112.70 0.25 . 1 . . . . . . . . 4779 1 697 . 1 1 64 64 CYS HA H 1 5.37 0.03 . 1 . . . . . . . . 4779 1 698 . 1 1 64 64 CYS HB2 H 1 3.42 0.03 . 2 . . . . . . . . 4779 1 699 . 1 1 64 64 CYS HB3 H 1 2.78 0.03 . 2 . . . . . . . . 4779 1 700 . 1 1 64 64 CYS C C 13 175.40 0.50 . 1 . . . . . . . . 4779 1 701 . 1 1 64 64 CYS CA C 13 57.50 0.50 . 1 . . . . . . . . 4779 1 702 . 1 1 64 64 CYS CB C 13 48.00 0.50 . 1 . . . . . . . . 4779 1 703 . 1 1 65 65 HIS H H 1 9.40 0.03 . 1 . . . . . . . . 4779 1 704 . 1 1 65 65 HIS HA H 1 4.61 0.03 . 1 . . . . . . . . 4779 1 705 . 1 1 65 65 HIS HB2 H 1 2.51 0.03 . 2 . . . . . . . . 4779 1 706 . 1 1 65 65 HIS HB3 H 1 2.34 0.03 . 2 . . . . . . . . 4779 1 707 . 1 1 65 65 HIS HD2 H 1 6.70 0.03 . 1 . . . . . . . . 4779 1 708 . 1 1 65 65 HIS HE1 H 1 8.68 0.03 . 1 . . . . . . . . 4779 1 709 . 1 1 65 65 HIS C C 13 172.60 0.50 . 1 . . . . . . . . 4779 1 710 . 1 1 65 65 HIS CA C 13 56.10 0.50 . 1 . . . . . . . . 4779 1 711 . 1 1 65 65 HIS CB C 13 33.10 0.50 . 1 . . . . . . . . 4779 1 712 . 1 1 65 65 HIS CD2 C 13 120.60 0.50 . 1 . . . . . . . . 4779 1 713 . 1 1 65 65 HIS CE1 C 13 137.10 0.50 . 1 . . . . . . . . 4779 1 714 . 1 1 65 65 HIS N N 15 117.90 0.25 . 1 . . . . . . . . 4779 1 715 . 1 1 66 66 ASP H H 1 8.32 0.03 . 1 . . . . . . . . 4779 1 716 . 1 1 66 66 ASP HA H 1 4.47 0.03 . 1 . . . . . . . . 4779 1 717 . 1 1 66 66 ASP HB2 H 1 2.36 0.03 . 2 . . . . . . . . 4779 1 718 . 1 1 66 66 ASP HB3 H 1 2.69 0.03 . 2 . . . . . . . . 4779 1 719 . 1 1 66 66 ASP C C 13 174.30 0.50 . 1 . . . . . . . . 4779 1 720 . 1 1 66 66 ASP CA C 13 51.60 0.50 . 1 . . . . . . . . 4779 1 721 . 1 1 66 66 ASP CB C 13 41.40 0.50 . 1 . . . . . . . . 4779 1 722 . 1 1 66 66 ASP N N 15 129.20 0.25 . 1 . . . . . . . . 4779 1 723 . 1 1 67 67 PRO HA H 1 4.54 0.03 . 1 . . . . . . . . 4779 1 724 . 1 1 67 67 PRO HB2 H 1 2.22 0.03 . 2 . . . . . . . . 4779 1 725 . 1 1 67 67 PRO HB3 H 1 2.04 0.03 . 2 . . . . . . . . 4779 1 726 . 1 1 67 67 PRO HG2 H 1 2.08 0.03 . 2 . . . . . . . . 4779 1 727 . 1 1 67 67 PRO HD2 H 1 3.79 0.03 . 2 . . . . . . . . 4779 1 728 . 1 1 67 67 PRO C C 13 177.40 0.50 . 1 . . . . . . . . 4779 1 729 . 1 1 67 67 PRO CA C 13 64.40 0.50 . 1 . . . . . . . . 4779 1 730 . 1 1 67 67 PRO CB C 13 31.90 0.50 . 1 . . . . . . . . 4779 1 731 . 1 1 67 67 PRO CG C 13 26.80 0.50 . 1 . . . . . . . . 4779 1 732 . 1 1 67 67 PRO CD C 13 51.50 0.50 . 1 . . . . . . . . 4779 1 733 . 1 1 68 68 LYS H H 1 8.58 0.03 . 1 . . . . . . . . 4779 1 734 . 1 1 68 68 LYS HA H 1 4.23 0.03 . 1 . . . . . . . . 4779 1 735 . 1 1 68 68 LYS HB2 H 1 1.78 0.03 . 2 . . . . . . . . 4779 1 736 . 1 1 68 68 LYS HG2 H 1 1.44 0.03 . 2 . . . . . . . . 4779 1 737 . 1 1 68 68 LYS HD2 H 1 1.69 0.03 . 2 . . . . . . . . 4779 1 738 . 1 1 68 68 LYS HE2 H 1 2.98 0.03 . 2 . . . . . . . . 4779 1 739 . 1 1 68 68 LYS C C 13 176.50 0.50 . 1 . . . . . . . . 4779 1 740 . 1 1 68 68 LYS CA C 13 57.60 0.50 . 1 . . . . . . . . 4779 1 741 . 1 1 68 68 LYS CB C 13 32.10 0.50 . 1 . . . . . . . . 4779 1 742 . 1 1 68 68 LYS CG C 13 25.20 0.50 . 1 . . . . . . . . 4779 1 743 . 1 1 68 68 LYS CD C 13 28.80 0.50 . 1 . . . . . . . . 4779 1 744 . 1 1 68 68 LYS CE C 13 42.00 0.50 . 1 . . . . . . . . 4779 1 745 . 1 1 68 68 LYS N N 15 122.00 0.25 . 1 . . . . . . . . 4779 1 746 . 1 1 69 69 LEU H H 1 8.02 0.03 . 1 . . . . . . . . 4779 1 747 . 1 1 69 69 LEU HA H 1 4.98 0.03 . 1 . . . . . . . . 4779 1 748 . 1 1 69 69 LEU HB2 H 1 1.75 0.03 . 2 . . . . . . . . 4779 1 749 . 1 1 69 69 LEU HG H 1 1.53 0.03 . 1 . . . . . . . . 4779 1 750 . 1 1 69 69 LEU HD11 H 1 0.94 0.03 . 2 . . . . . . . . 4779 1 751 . 1 1 69 69 LEU HD12 H 1 0.94 0.03 . 2 . . . . . . . . 4779 1 752 . 1 1 69 69 LEU HD13 H 1 0.94 0.03 . 2 . . . . . . . . 4779 1 753 . 1 1 69 69 LEU HD21 H 1 0.89 0.03 . 2 . . . . . . . . 4779 1 754 . 1 1 69 69 LEU HD22 H 1 0.89 0.03 . 2 . . . . . . . . 4779 1 755 . 1 1 69 69 LEU HD23 H 1 0.89 0.03 . 2 . . . . . . . . 4779 1 756 . 1 1 69 69 LEU C C 13 176.30 0.50 . 1 . . . . . . . . 4779 1 757 . 1 1 69 69 LEU CA C 13 51.50 0.50 . 1 . . . . . . . . 4779 1 758 . 1 1 69 69 LEU CB C 13 42.60 0.50 . 1 . . . . . . . . 4779 1 759 . 1 1 69 69 LEU CG C 13 26.80 0.50 . 1 . . . . . . . . 4779 1 760 . 1 1 69 69 LEU CD1 C 13 22.90 0.50 . 2 . . . . . . . . 4779 1 761 . 1 1 69 69 LEU CD2 C 13 25.40 0.50 . 2 . . . . . . . . 4779 1 762 . 1 1 69 69 LEU N N 15 120.10 0.25 . 1 . . . . . . . . 4779 1 763 . 1 1 70 70 PRO HA H 1 4.61 0.03 . 1 . . . . . . . . 4779 1 764 . 1 1 70 70 PRO HB2 H 1 1.88 0.03 . 2 . . . . . . . . 4779 1 765 . 1 1 70 70 PRO HB3 H 1 1.73 0.03 . 2 . . . . . . . . 4779 1 766 . 1 1 70 70 PRO HG2 H 1 2.06 0.03 . 2 . . . . . . . . 4779 1 767 . 1 1 70 70 PRO HG3 H 1 1.93 0.03 . 2 . . . . . . . . 4779 1 768 . 1 1 70 70 PRO HD2 H 1 3.91 0.03 . 2 . . . . . . . . 4779 1 769 . 1 1 70 70 PRO HD3 H 1 3.73 0.03 . 2 . . . . . . . . 4779 1 770 . 1 1 70 70 PRO C C 13 175.40 0.50 . 1 . . . . . . . . 4779 1 771 . 1 1 70 70 PRO CA C 13 63.10 0.50 . 1 . . . . . . . . 4779 1 772 . 1 1 70 70 PRO CB C 13 32.30 0.50 . 1 . . . . . . . . 4779 1 773 . 1 1 70 70 PRO CG C 13 27.40 0.50 . 1 . . . . . . . . 4779 1 774 . 1 1 70 70 PRO CD C 13 50.70 0.50 . 1 . . . . . . . . 4779 1 775 . 1 1 71 71 TYR H H 1 9.42 0.03 . 1 . . . . . . . . 4779 1 776 . 1 1 71 71 TYR HA H 1 4.58 0.03 . 1 . . . . . . . . 4779 1 777 . 1 1 71 71 TYR HB2 H 1 2.71 0.03 . 2 . . . . . . . . 4779 1 778 . 1 1 71 71 TYR HB3 H 1 1.83 0.03 . 2 . . . . . . . . 4779 1 779 . 1 1 71 71 TYR HD2 H 1 6.61 0.03 . 3 . . . . . . . . 4779 1 780 . 1 1 71 71 TYR HE2 H 1 6.38 0.03 . 3 . . . . . . . . 4779 1 781 . 1 1 71 71 TYR C C 13 175.20 0.50 . 1 . . . . . . . . 4779 1 782 . 1 1 71 71 TYR CA C 13 58.10 0.50 . 1 . . . . . . . . 4779 1 783 . 1 1 71 71 TYR CB C 13 41.10 0.50 . 1 . . . . . . . . 4779 1 784 . 1 1 71 71 TYR CD1 C 13 132.00 0.50 . 3 . . . . . . . . 4779 1 785 . 1 1 71 71 TYR CE1 C 13 118.30 0.50 . 3 . . . . . . . . 4779 1 786 . 1 1 71 71 TYR N N 15 122.80 0.25 . 1 . . . . . . . . 4779 1 787 . 1 1 72 72 HIS H H 1 8.68 0.03 . 1 . . . . . . . . 4779 1 788 . 1 1 72 72 HIS HA H 1 3.83 0.03 . 1 . . . . . . . . 4779 1 789 . 1 1 72 72 HIS HB2 H 1 3.19 0.03 . 2 . . . . . . . . 4779 1 790 . 1 1 72 72 HIS HB3 H 1 3.27 0.03 . 2 . . . . . . . . 4779 1 791 . 1 1 72 72 HIS HD2 H 1 6.33 0.03 . 1 . . . . . . . . 4779 1 792 . 1 1 72 72 HIS HE1 H 1 8.34 0.03 . 1 . . . . . . . . 4779 1 793 . 1 1 72 72 HIS C C 13 173.20 0.50 . 1 . . . . . . . . 4779 1 794 . 1 1 72 72 HIS CA C 13 57.00 0.50 . 1 . . . . . . . . 4779 1 795 . 1 1 72 72 HIS CB C 13 26.60 0.50 . 1 . . . . . . . . 4779 1 796 . 1 1 72 72 HIS CD2 C 13 119.00 0.50 . 1 . . . . . . . . 4779 1 797 . 1 1 72 72 HIS CE1 C 13 136.40 0.50 . 1 . . . . . . . . 4779 1 798 . 1 1 72 72 HIS N N 15 123.20 0.25 . 1 . . . . . . . . 4779 1 799 . 1 1 73 73 ASP H H 1 8.29 0.03 . 1 . . . . . . . . 4779 1 800 . 1 1 73 73 ASP HA H 1 3.91 0.03 . 1 . . . . . . . . 4779 1 801 . 1 1 73 73 ASP HB2 H 1 2.61 0.03 . 2 . . . . . . . . 4779 1 802 . 1 1 73 73 ASP C C 13 174.60 0.50 . 1 . . . . . . . . 4779 1 803 . 1 1 73 73 ASP CA C 13 56.50 0.50 . 1 . . . . . . . . 4779 1 804 . 1 1 73 73 ASP CB C 13 39.70 0.50 . 1 . . . . . . . . 4779 1 805 . 1 1 73 73 ASP N N 15 105.50 0.25 . 1 . . . . . . . . 4779 1 806 . 1 1 74 74 PHE H H 1 7.85 0.03 . 1 . . . . . . . . 4779 1 807 . 1 1 74 74 PHE HA H 1 4.92 0.03 . 1 . . . . . . . . 4779 1 808 . 1 1 74 74 PHE HB2 H 1 3.14 0.03 . 2 . . . . . . . . 4779 1 809 . 1 1 74 74 PHE HB3 H 1 2.91 0.03 . 2 . . . . . . . . 4779 1 810 . 1 1 74 74 PHE HD2 H 1 7.38 0.03 . 3 . . . . . . . . 4779 1 811 . 1 1 74 74 PHE C C 13 174.80 0.50 . 1 . . . . . . . . 4779 1 812 . 1 1 74 74 PHE CA C 13 57.40 0.50 . 1 . . . . . . . . 4779 1 813 . 1 1 74 74 PHE CB C 13 41.90 0.50 . 1 . . . . . . . . 4779 1 814 . 1 1 74 74 PHE N N 15 118.60 0.25 . 1 . . . . . . . . 4779 1 815 . 1 1 75 75 ILE H H 1 8.59 0.03 . 1 . . . . . . . . 4779 1 816 . 1 1 75 75 ILE HA H 1 4.35 0.03 . 1 . . . . . . . . 4779 1 817 . 1 1 75 75 ILE HB H 1 1.93 0.03 . 1 . . . . . . . . 4779 1 818 . 1 1 75 75 ILE HG12 H 1 1.55 0.03 . 2 . . . . . . . . 4779 1 819 . 1 1 75 75 ILE HG13 H 1 1.35 0.03 . 2 . . . . . . . . 4779 1 820 . 1 1 75 75 ILE HG21 H 1 0.87 0.03 . 1 . . . . . . . . 4779 1 821 . 1 1 75 75 ILE HG22 H 1 0.87 0.03 . 1 . . . . . . . . 4779 1 822 . 1 1 75 75 ILE HG23 H 1 0.87 0.03 . 1 . . . . . . . . 4779 1 823 . 1 1 75 75 ILE HD11 H 1 0.79 0.03 . 1 . . . . . . . . 4779 1 824 . 1 1 75 75 ILE HD12 H 1 0.79 0.03 . 1 . . . . . . . . 4779 1 825 . 1 1 75 75 ILE HD13 H 1 0.79 0.03 . 1 . . . . . . . . 4779 1 826 . 1 1 75 75 ILE C C 13 177.40 0.50 . 1 . . . . . . . . 4779 1 827 . 1 1 75 75 ILE CA C 13 59.40 0.50 . 1 . . . . . . . . 4779 1 828 . 1 1 75 75 ILE CB C 13 37.80 0.50 . 1 . . . . . . . . 4779 1 829 . 1 1 75 75 ILE CG1 C 13 27.60 0.50 . 1 . . . . . . . . 4779 1 830 . 1 1 75 75 ILE CG2 C 13 17.60 0.50 . 1 . . . . . . . . 4779 1 831 . 1 1 75 75 ILE CD1 C 13 11.30 0.50 . 1 . . . . . . . . 4779 1 832 . 1 1 75 75 ILE N N 15 121.50 0.25 . 1 . . . . . . . . 4779 1 833 . 1 1 76 76 LEU H H 1 9.47 0.03 . 1 . . . . . . . . 4779 1 834 . 1 1 76 76 LEU HA H 1 4.45 0.03 . 1 . . . . . . . . 4779 1 835 . 1 1 76 76 LEU HB2 H 1 1.85 0.03 . 2 . . . . . . . . 4779 1 836 . 1 1 76 76 LEU HB3 H 1 1.91 0.03 . 2 . . . . . . . . 4779 1 837 . 1 1 76 76 LEU HG H 1 1.92 0.03 . 1 . . . . . . . . 4779 1 838 . 1 1 76 76 LEU HD11 H 1 0.97 0.03 . 2 . . . . . . . . 4779 1 839 . 1 1 76 76 LEU HD12 H 1 0.97 0.03 . 2 . . . . . . . . 4779 1 840 . 1 1 76 76 LEU HD13 H 1 0.97 0.03 . 2 . . . . . . . . 4779 1 841 . 1 1 76 76 LEU HD21 H 1 0.94 0.03 . 2 . . . . . . . . 4779 1 842 . 1 1 76 76 LEU HD22 H 1 0.94 0.03 . 2 . . . . . . . . 4779 1 843 . 1 1 76 76 LEU HD23 H 1 0.94 0.03 . 2 . . . . . . . . 4779 1 844 . 1 1 76 76 LEU C C 13 176.80 0.50 . 1 . . . . . . . . 4779 1 845 . 1 1 76 76 LEU CA C 13 54.30 0.50 . 1 . . . . . . . . 4779 1 846 . 1 1 76 76 LEU CB C 13 39.30 0.50 . 1 . . . . . . . . 4779 1 847 . 1 1 76 76 LEU CG C 13 27.60 0.50 . 1 . . . . . . . . 4779 1 848 . 1 1 76 76 LEU CD1 C 13 23.60 0.50 . 2 . . . . . . . . 4779 1 849 . 1 1 76 76 LEU CD2 C 13 26.30 0.50 . 2 . . . . . . . . 4779 1 850 . 1 1 76 76 LEU N N 15 129.50 0.25 . 1 . . . . . . . . 4779 1 851 . 1 1 77 77 GLU H H 1 8.52 0.03 . 1 . . . . . . . . 4779 1 852 . 1 1 77 77 GLU HA H 1 4.31 0.03 . 1 . . . . . . . . 4779 1 853 . 1 1 77 77 GLU HB2 H 1 2.20 0.03 . 2 . . . . . . . . 4779 1 854 . 1 1 77 77 GLU HB3 H 1 1.99 0.03 . 2 . . . . . . . . 4779 1 855 . 1 1 77 77 GLU HG2 H 1 2.26 0.03 . 2 . . . . . . . . 4779 1 856 . 1 1 77 77 GLU C C 13 176.40 0.50 . 1 . . . . . . . . 4779 1 857 . 1 1 77 77 GLU CA C 13 57.20 0.50 . 1 . . . . . . . . 4779 1 858 . 1 1 77 77 GLU CB C 13 30.40 0.50 . 1 . . . . . . . . 4779 1 859 . 1 1 77 77 GLU CG C 13 36.60 0.50 . 1 . . . . . . . . 4779 1 860 . 1 1 77 77 GLU N N 15 124.10 0.25 . 1 . . . . . . . . 4779 1 861 . 1 1 78 78 ASP H H 1 9.31 0.03 . 1 . . . . . . . . 4779 1 862 . 1 1 78 78 ASP HA H 1 4.66 0.03 . 1 . . . . . . . . 4779 1 863 . 1 1 78 78 ASP HB2 H 1 3.30 0.03 . 2 . . . . . . . . 4779 1 864 . 1 1 78 78 ASP HB3 H 1 2.62 0.03 . 2 . . . . . . . . 4779 1 865 . 1 1 78 78 ASP C C 13 175.10 0.50 . 1 . . . . . . . . 4779 1 866 . 1 1 78 78 ASP CA C 13 53.00 0.50 . 1 . . . . . . . . 4779 1 867 . 1 1 78 78 ASP CB C 13 39.90 0.50 . 1 . . . . . . . . 4779 1 868 . 1 1 78 78 ASP N N 15 118.30 0.25 . 1 . . . . . . . . 4779 1 869 . 1 1 79 79 ALA H H 1 7.06 0.03 . 1 . . . . . . . . 4779 1 870 . 1 1 79 79 ALA HA H 1 4.11 0.03 . 1 . . . . . . . . 4779 1 871 . 1 1 79 79 ALA HB1 H 1 1.42 0.03 . 1 . . . . . . . . 4779 1 872 . 1 1 79 79 ALA HB2 H 1 1.42 0.03 . 1 . . . . . . . . 4779 1 873 . 1 1 79 79 ALA HB3 H 1 1.42 0.03 . 1 . . . . . . . . 4779 1 874 . 1 1 79 79 ALA C C 13 177.50 0.50 . 1 . . . . . . . . 4779 1 875 . 1 1 79 79 ALA CA C 13 55.10 0.50 . 1 . . . . . . . . 4779 1 876 . 1 1 79 79 ALA CB C 13 19.70 0.50 . 1 . . . . . . . . 4779 1 877 . 1 1 79 79 ALA N N 15 120.00 0.25 . 1 . . . . . . . . 4779 1 878 . 1 1 80 80 ALA H H 1 8.16 0.03 . 1 . . . . . . . . 4779 1 879 . 1 1 80 80 ALA HA H 1 4.21 0.03 . 1 . . . . . . . . 4779 1 880 . 1 1 80 80 ALA HB1 H 1 1.38 0.03 . 1 . . . . . . . . 4779 1 881 . 1 1 80 80 ALA HB2 H 1 1.38 0.03 . 1 . . . . . . . . 4779 1 882 . 1 1 80 80 ALA HB3 H 1 1.38 0.03 . 1 . . . . . . . . 4779 1 883 . 1 1 80 80 ALA C C 13 178.30 0.50 . 1 . . . . . . . . 4779 1 884 . 1 1 80 80 ALA CA C 13 52.60 0.50 . 1 . . . . . . . . 4779 1 885 . 1 1 80 80 ALA CB C 13 18.70 0.50 . 1 . . . . . . . . 4779 1 886 . 1 1 80 80 ALA N N 15 116.70 0.25 . 1 . . . . . . . . 4779 1 887 . 1 1 81 81 SER H H 1 8.42 0.03 . 1 . . . . . . . . 4779 1 888 . 1 1 81 81 SER HA H 1 4.65 0.03 . 1 . . . . . . . . 4779 1 889 . 1 1 81 81 SER HB2 H 1 4.51 0.03 . 2 . . . . . . . . 4779 1 890 . 1 1 81 81 SER HB3 H 1 4.26 0.03 . 2 . . . . . . . . 4779 1 891 . 1 1 81 81 SER C C 13 174.60 0.50 . 1 . . . . . . . . 4779 1 892 . 1 1 81 81 SER CA C 13 56.60 0.50 . 1 . . . . . . . . 4779 1 893 . 1 1 81 81 SER CB C 13 65.10 0.50 . 1 . . . . . . . . 4779 1 894 . 1 1 81 81 SER N N 15 117.00 0.25 . 1 . . . . . . . . 4779 1 895 . 1 1 82 82 PRO HA H 1 4.53 0.03 . 1 . . . . . . . . 4779 1 896 . 1 1 82 82 PRO HB2 H 1 2.37 0.03 . 2 . . . . . . . . 4779 1 897 . 1 1 82 82 PRO HB3 H 1 2.02 0.03 . 2 . . . . . . . . 4779 1 898 . 1 1 82 82 PRO HG2 H 1 2.06 0.03 . 2 . . . . . . . . 4779 1 899 . 1 1 82 82 PRO HG3 H 1 2.16 0.03 . 2 . . . . . . . . 4779 1 900 . 1 1 82 82 PRO C C 13 176.80 0.50 . 1 . . . . . . . . 4779 1 901 . 1 1 82 82 PRO CA C 13 64.60 0.50 . 1 . . . . . . . . 4779 1 902 . 1 1 82 82 PRO CB C 13 32.10 0.50 . 1 . . . . . . . . 4779 1 903 . 1 1 82 82 PRO CG C 13 27.40 0.50 . 1 . . . . . . . . 4779 1 904 . 1 1 82 82 PRO CD C 13 50.80 0.50 . 1 . . . . . . . . 4779 1 905 . 1 1 83 83 LYS H H 1 7.47 0.03 . 1 . . . . . . . . 4779 1 906 . 1 1 83 83 LYS HA H 1 4.68 0.03 . 1 . . . . . . . . 4779 1 907 . 1 1 83 83 LYS HB2 H 1 1.63 0.03 . 2 . . . . . . . . 4779 1 908 . 1 1 83 83 LYS HG2 H 1 1.36 0.03 . 2 . . . . . . . . 4779 1 909 . 1 1 83 83 LYS HD2 H 1 1.64 0.03 . 2 . . . . . . . . 4779 1 910 . 1 1 83 83 LYS HE2 H 1 2.92 0.03 . 2 . . . . . . . . 4779 1 911 . 1 1 83 83 LYS C C 13 174.10 0.50 . 1 . . . . . . . . 4779 1 912 . 1 1 83 83 LYS CA C 13 54.20 0.50 . 1 . . . . . . . . 4779 1 913 . 1 1 83 83 LYS CB C 13 36.00 0.50 . 1 . . . . . . . . 4779 1 914 . 1 1 83 83 LYS CG C 13 25.40 0.50 . 1 . . . . . . . . 4779 1 915 . 1 1 83 83 LYS CD C 13 29.00 0.50 . 1 . . . . . . . . 4779 1 916 . 1 1 83 83 LYS N N 15 115.00 0.25 . 1 . . . . . . . . 4779 1 917 . 1 1 87 87 LYS HA H 1 4.75 0.03 . 1 . . . . . . . . 4779 1 918 . 1 1 87 87 LYS HB2 H 1 1.78 0.03 . 2 . . . . . . . . 4779 1 919 . 1 1 87 87 LYS HB3 H 1 1.89 0.03 . 2 . . . . . . . . 4779 1 920 . 1 1 87 87 LYS HG2 H 1 1.62 0.03 . 2 . . . . . . . . 4779 1 921 . 1 1 87 87 LYS HD2 H 1 1.77 0.03 . 2 . . . . . . . . 4779 1 922 . 1 1 87 87 LYS HE2 H 1 2.97 0.03 . 2 . . . . . . . . 4779 1 923 . 1 1 87 87 LYS HE3 H 1 3.07 0.03 . 2 . . . . . . . . 4779 1 924 . 1 1 87 87 LYS C C 13 175.30 0.50 . 1 . . . . . . . . 4779 1 925 . 1 1 87 87 LYS CA C 13 54.30 0.50 . 1 . . . . . . . . 4779 1 926 . 1 1 87 87 LYS CB C 13 35.20 0.50 . 1 . . . . . . . . 4779 1 927 . 1 1 87 87 LYS CG C 13 24.80 0.50 . 1 . . . . . . . . 4779 1 928 . 1 1 87 87 LYS CD C 13 28.50 0.50 . 1 . . . . . . . . 4779 1 929 . 1 1 88 88 GLU H H 1 8.66 0.03 . 1 . . . . . . . . 4779 1 930 . 1 1 88 88 GLU HA H 1 3.37 0.03 . 1 . . . . . . . . 4779 1 931 . 1 1 88 88 GLU HB2 H 1 1.37 0.03 . 2 . . . . . . . . 4779 1 932 . 1 1 88 88 GLU HB3 H 1 1.61 0.03 . 2 . . . . . . . . 4779 1 933 . 1 1 88 88 GLU HG2 H 1 1.70 0.03 . 2 . . . . . . . . 4779 1 934 . 1 1 88 88 GLU HG3 H 1 1.52 0.03 . 2 . . . . . . . . 4779 1 935 . 1 1 88 88 GLU C C 13 175.70 0.50 . 1 . . . . . . . . 4779 1 936 . 1 1 88 88 GLU CA C 13 56.90 0.50 . 1 . . . . . . . . 4779 1 937 . 1 1 88 88 GLU CB C 13 30.10 0.50 . 1 . . . . . . . . 4779 1 938 . 1 1 88 88 GLU CG C 13 36.30 0.50 . 1 . . . . . . . . 4779 1 939 . 1 1 88 88 GLU N N 15 125.20 0.25 . 1 . . . . . . . . 4779 1 940 . 1 1 89 89 LYS H H 1 8.68 0.03 . 1 . . . . . . . . 4779 1 941 . 1 1 89 89 LYS HA H 1 4.27 0.03 . 1 . . . . . . . . 4779 1 942 . 1 1 89 89 LYS HB2 H 1 0.41 0.03 . 2 . . . . . . . . 4779 1 943 . 1 1 89 89 LYS HB3 H 1 0.13 0.03 . 2 . . . . . . . . 4779 1 944 . 1 1 89 89 LYS HG2 H 1 0.50 0.03 . 2 . . . . . . . . 4779 1 945 . 1 1 89 89 LYS HG3 H 1 0.98 0.03 . 2 . . . . . . . . 4779 1 946 . 1 1 89 89 LYS HD2 H 1 0.89 0.03 . 2 . . . . . . . . 4779 1 947 . 1 1 89 89 LYS HD3 H 1 1.26 0.03 . 2 . . . . . . . . 4779 1 948 . 1 1 89 89 LYS HE2 H 1 2.40 0.03 . 2 . . . . . . . . 4779 1 949 . 1 1 89 89 LYS HE3 H 1 2.48 0.03 . 2 . . . . . . . . 4779 1 950 . 1 1 89 89 LYS C C 13 174.60 0.50 . 1 . . . . . . . . 4779 1 951 . 1 1 89 89 LYS CA C 13 52.20 0.50 . 1 . . . . . . . . 4779 1 952 . 1 1 89 89 LYS CB C 13 31.90 0.50 . 1 . . . . . . . . 4779 1 953 . 1 1 89 89 LYS CG C 13 23.40 0.50 . 1 . . . . . . . . 4779 1 954 . 1 1 89 89 LYS CD C 13 27.40 0.50 . 1 . . . . . . . . 4779 1 955 . 1 1 89 89 LYS CE C 13 40.10 0.50 . 1 . . . . . . . . 4779 1 956 . 1 1 89 89 LYS N N 15 126.70 0.25 . 1 . . . . . . . . 4779 1 957 . 1 1 90 90 LYS H H 1 8.21 0.03 . 1 . . . . . . . . 4779 1 958 . 1 1 90 90 LYS HA H 1 4.69 0.03 . 1 . . . . . . . . 4779 1 959 . 1 1 90 90 LYS HB2 H 1 1.73 0.03 . 2 . . . . . . . . 4779 1 960 . 1 1 90 90 LYS HG2 H 1 1.36 0.03 . 2 . . . . . . . . 4779 1 961 . 1 1 90 90 LYS HD2 H 1 1.64 0.03 . 2 . . . . . . . . 4779 1 962 . 1 1 90 90 LYS HE2 H 1 2.92 0.03 . 2 . . . . . . . . 4779 1 963 . 1 1 90 90 LYS C C 13 175.20 0.50 . 1 . . . . . . . . 4779 1 964 . 1 1 90 90 LYS CA C 13 55.90 0.50 . 1 . . . . . . . . 4779 1 965 . 1 1 90 90 LYS CB C 13 33.70 0.50 . 1 . . . . . . . . 4779 1 966 . 1 1 90 90 LYS CG C 13 24.70 0.50 . 1 . . . . . . . . 4779 1 967 . 1 1 90 90 LYS CD C 13 29.20 0.50 . 1 . . . . . . . . 4779 1 968 . 1 1 90 90 LYS CE C 13 42.00 0.50 . 1 . . . . . . . . 4779 1 969 . 1 1 90 90 LYS N N 15 121.40 0.25 . 1 . . . . . . . . 4779 1 970 . 1 1 91 91 LYS H H 1 8.94 0.03 . 1 . . . . . . . . 4779 1 971 . 1 1 91 91 LYS HA H 1 4.83 0.03 . 1 . . . . . . . . 4779 1 972 . 1 1 91 91 LYS HB2 H 1 2.00 0.03 . 2 . . . . . . . . 4779 1 973 . 1 1 91 91 LYS HB3 H 1 1.67 0.03 . 2 . . . . . . . . 4779 1 974 . 1 1 91 91 LYS HG2 H 1 1.52 0.03 . 2 . . . . . . . . 4779 1 975 . 1 1 91 91 LYS HG3 H 1 1.40 0.03 . 2 . . . . . . . . 4779 1 976 . 1 1 91 91 LYS HD2 H 1 1.68 0.03 . 2 . . . . . . . . 4779 1 977 . 1 1 91 91 LYS HE2 H 1 2.87 0.03 . 2 . . . . . . . . 4779 1 978 . 1 1 91 91 LYS C C 13 173.30 0.50 . 1 . . . . . . . . 4779 1 979 . 1 1 91 91 LYS CA C 13 53.50 0.50 . 1 . . . . . . . . 4779 1 980 . 1 1 91 91 LYS CB C 13 34.30 0.50 . 1 . . . . . . . . 4779 1 981 . 1 1 91 91 LYS CG C 13 24.70 0.50 . 1 . . . . . . . . 4779 1 982 . 1 1 91 91 LYS CD C 13 29.30 0.50 . 1 . . . . . . . . 4779 1 983 . 1 1 91 91 LYS CE C 13 41.80 0.50 . 1 . . . . . . . . 4779 1 984 . 1 1 91 91 LYS N N 15 126.00 0.25 . 1 . . . . . . . . 4779 1 985 . 1 1 92 92 PRO HA H 1 4.34 0.03 . 1 . . . . . . . . 4779 1 986 . 1 1 92 92 PRO HB2 H 1 2.31 0.03 . 2 . . . . . . . . 4779 1 987 . 1 1 92 92 PRO HB3 H 1 1.93 0.03 . 2 . . . . . . . . 4779 1 988 . 1 1 92 92 PRO HG2 H 1 2.18 0.03 . 2 . . . . . . . . 4779 1 989 . 1 1 92 92 PRO HG3 H 1 2.00 0.03 . 2 . . . . . . . . 4779 1 990 . 1 1 92 92 PRO HD2 H 1 3.80 0.03 . 2 . . . . . . . . 4779 1 991 . 1 1 92 92 PRO HD3 H 1 3.66 0.03 . 2 . . . . . . . . 4779 1 992 . 1 1 92 92 PRO C C 13 178.10 0.50 . 1 . . . . . . . . 4779 1 993 . 1 1 92 92 PRO CA C 13 64.80 0.50 . 1 . . . . . . . . 4779 1 994 . 1 1 92 92 PRO CB C 13 31.30 0.50 . 1 . . . . . . . . 4779 1 995 . 1 1 92 92 PRO CG C 13 28.00 0.50 . 1 . . . . . . . . 4779 1 996 . 1 1 92 92 PRO CD C 13 50.30 0.50 . 1 . . . . . . . . 4779 1 997 . 1 1 93 93 GLY H H 1 8.78 0.03 . 1 . . . . . . . . 4779 1 998 . 1 1 93 93 GLY HA2 H 1 4.18 0.03 . 2 . . . . . . . . 4779 1 999 . 1 1 93 93 GLY HA3 H 1 3.85 0.03 . 2 . . . . . . . . 4779 1 1000 . 1 1 93 93 GLY C C 13 173.80 0.50 . 1 . . . . . . . . 4779 1 1001 . 1 1 93 93 GLY CA C 13 45.80 0.50 . 1 . . . . . . . . 4779 1 1002 . 1 1 93 93 GLY N N 15 111.90 0.25 . 1 . . . . . . . . 4779 1 1003 . 1 1 94 94 GLU H H 1 8.03 0.03 . 1 . . . . . . . . 4779 1 1004 . 1 1 94 94 GLU HA H 1 4.92 0.03 . 1 . . . . . . . . 4779 1 1005 . 1 1 94 94 GLU HB2 H 1 2.14 0.03 . 2 . . . . . . . . 4779 1 1006 . 1 1 94 94 GLU HB3 H 1 2.02 0.03 . 2 . . . . . . . . 4779 1 1007 . 1 1 94 94 GLU HG2 H 1 2.16 0.03 . 2 . . . . . . . . 4779 1 1008 . 1 1 94 94 GLU C C 13 173.90 0.50 . 1 . . . . . . . . 4779 1 1009 . 1 1 94 94 GLU CA C 13 56.00 0.50 . 1 . . . . . . . . 4779 1 1010 . 1 1 94 94 GLU CB C 13 33.20 0.50 . 1 . . . . . . . . 4779 1 1011 . 1 1 94 94 GLU CG C 13 36.00 0.50 . 1 . . . . . . . . 4779 1 1012 . 1 1 94 94 GLU N N 15 118.50 0.25 . 1 . . . . . . . . 4779 1 1013 . 1 1 95 95 THR H H 1 8.65 0.03 . 1 . . . . . . . . 4779 1 1014 . 1 1 95 95 THR HA H 1 5.07 0.03 . 1 . . . . . . . . 4779 1 1015 . 1 1 95 95 THR HB H 1 4.21 0.03 . 1 . . . . . . . . 4779 1 1016 . 1 1 95 95 THR HG21 H 1 1.47 0.03 . 1 . . . . . . . . 4779 1 1017 . 1 1 95 95 THR HG22 H 1 1.47 0.03 . 1 . . . . . . . . 4779 1 1018 . 1 1 95 95 THR HG23 H 1 1.47 0.03 . 1 . . . . . . . . 4779 1 1019 . 1 1 95 95 THR C C 13 173.20 0.50 . 1 . . . . . . . . 4779 1 1020 . 1 1 95 95 THR CA C 13 62.20 0.50 . 1 . . . . . . . . 4779 1 1021 . 1 1 95 95 THR CB C 13 70.50 0.50 . 1 . . . . . . . . 4779 1 1022 . 1 1 95 95 THR CG2 C 13 22.60 0.50 . 1 . . . . . . . . 4779 1 1023 . 1 1 95 95 THR N N 15 118.90 0.25 . 1 . . . . . . . . 4779 1 1024 . 1 1 96 96 PHE H H 1 9.16 0.03 . 1 . . . . . . . . 4779 1 1025 . 1 1 96 96 PHE HA H 1 5.41 0.03 . 1 . . . . . . . . 4779 1 1026 . 1 1 96 96 PHE HB2 H 1 3.41 0.03 . 2 . . . . . . . . 4779 1 1027 . 1 1 96 96 PHE HB3 H 1 3.06 0.03 . 2 . . . . . . . . 4779 1 1028 . 1 1 96 96 PHE HD2 H 1 6.98 0.03 . 3 . . . . . . . . 4779 1 1029 . 1 1 96 96 PHE C C 13 172.20 0.50 . 1 . . . . . . . . 4779 1 1030 . 1 1 96 96 PHE CA C 13 56.70 0.50 . 1 . . . . . . . . 4779 1 1031 . 1 1 96 96 PHE CB C 13 41.70 0.50 . 1 . . . . . . . . 4779 1 1032 . 1 1 96 96 PHE N N 15 127.10 0.25 . 1 . . . . . . . . 4779 1 1033 . 1 1 97 97 PHE H H 1 9.69 0.03 . 1 . . . . . . . . 4779 1 1034 . 1 1 97 97 PHE HA H 1 5.53 0.03 . 1 . . . . . . . . 4779 1 1035 . 1 1 97 97 PHE HB2 H 1 3.41 0.03 . 2 . . . . . . . . 4779 1 1036 . 1 1 97 97 PHE HB3 H 1 3.14 0.03 . 2 . . . . . . . . 4779 1 1037 . 1 1 97 97 PHE HD2 H 1 7.21 0.03 . 3 . . . . . . . . 4779 1 1038 . 1 1 97 97 PHE C C 13 173.90 0.50 . 1 . . . . . . . . 4779 1 1039 . 1 1 97 97 PHE CA C 13 56.60 0.50 . 1 . . . . . . . . 4779 1 1040 . 1 1 97 97 PHE CB C 13 41.75 0.50 . 1 . . . . . . . . 4779 1 1041 . 1 1 97 97 PHE N N 15 123.50 0.25 . 1 . . . . . . . . 4779 1 1042 . 1 1 100 100 SER HA H 1 5.57 0.03 . 1 . . . . . . . . 4779 1 1043 . 1 1 100 100 SER HB2 H 1 3.84 0.03 . 2 . . . . . . . . 4779 1 1044 . 1 1 100 100 SER HB3 H 1 3.95 0.03 . 2 . . . . . . . . 4779 1 1045 . 1 1 100 100 SER C C 13 171.30 0.50 . 1 . . . . . . . . 4779 1 1046 . 1 1 100 100 SER CA C 13 57.40 0.50 . 1 . . . . . . . . 4779 1 1047 . 1 1 100 100 SER CB C 13 68.50 0.50 . 1 . . . . . . . . 4779 1 1048 . 1 1 101 101 CYS H H 1 8.72 0.03 . 1 . . . . . . . . 4779 1 1049 . 1 1 101 101 CYS HA H 1 5.38 0.03 . 1 . . . . . . . . 4779 1 1050 . 1 1 101 101 CYS HB2 H 1 3.28 0.03 . 2 . . . . . . . . 4779 1 1051 . 1 1 101 101 CYS HB3 H 1 2.86 0.03 . 2 . . . . . . . . 4779 1 1052 . 1 1 101 101 CYS C C 13 174.80 0.50 . 1 . . . . . . . . 4779 1 1053 . 1 1 101 101 CYS CA C 13 54.70 0.50 . 1 . . . . . . . . 4779 1 1054 . 1 1 101 101 CYS CB C 13 46.30 0.50 . 1 . . . . . . . . 4779 1 1055 . 1 1 101 101 CYS N N 15 110.30 0.25 . 1 . . . . . . . . 4779 1 1056 . 1 1 102 102 SER H H 1 8.73 0.03 . 1 . . . . . . . . 4779 1 1057 . 1 1 102 102 SER HA H 1 5.01 0.03 . 1 . . . . . . . . 4779 1 1058 . 1 1 102 102 SER HB2 H 1 4.08 0.03 . 2 . . . . . . . . 4779 1 1059 . 1 1 102 102 SER HB3 H 1 3.87 0.03 . 2 . . . . . . . . 4779 1 1060 . 1 1 102 102 SER C C 13 174.20 0.50 . 1 . . . . . . . . 4779 1 1061 . 1 1 102 102 SER CA C 13 57.00 0.50 . 1 . . . . . . . . 4779 1 1062 . 1 1 102 102 SER CB C 13 63.70 0.50 . 1 . . . . . . . . 4779 1 1063 . 1 1 102 102 SER N N 15 113.20 0.25 . 1 . . . . . . . . 4779 1 1064 . 1 1 103 103 SER H H 1 7.47 0.03 . 1 . . . . . . . . 4779 1 1065 . 1 1 103 103 SER HA H 1 4.89 0.03 . 1 . . . . . . . . 4779 1 1066 . 1 1 103 103 SER HB2 H 1 3.95 0.03 . 2 . . . . . . . . 4779 1 1067 . 1 1 103 103 SER HB3 H 1 3.99 0.03 . 2 . . . . . . . . 4779 1 1068 . 1 1 103 103 SER C C 13 174.30 0.50 . 1 . . . . . . . . 4779 1 1069 . 1 1 103 103 SER CA C 13 57.90 0.50 . 1 . . . . . . . . 4779 1 1070 . 1 1 103 103 SER CB C 13 66.40 0.50 . 1 . . . . . . . . 4779 1 1071 . 1 1 103 103 SER N N 15 115.00 0.25 . 1 . . . . . . . . 4779 1 1072 . 1 1 104 104 ASP H H 1 8.88 0.03 . 1 . . . . . . . . 4779 1 1073 . 1 1 104 104 ASP HA H 1 5.01 0.03 . 1 . . . . . . . . 4779 1 1074 . 1 1 104 104 ASP HB2 H 1 2.65 0.03 . 2 . . . . . . . . 4779 1 1075 . 1 1 104 104 ASP HB3 H 1 2.57 0.03 . 2 . . . . . . . . 4779 1 1076 . 1 1 104 104 ASP C C 13 177.70 0.50 . 1 . . . . . . . . 4779 1 1077 . 1 1 104 104 ASP CA C 13 56.60 0.50 . 1 . . . . . . . . 4779 1 1078 . 1 1 104 104 ASP CB C 13 40.70 0.50 . 1 . . . . . . . . 4779 1 1079 . 1 1 104 104 ASP N N 15 123.90 0.25 . 1 . . . . . . . . 4779 1 1080 . 1 1 105 105 GLU H H 1 9.66 0.03 . 1 . . . . . . . . 4779 1 1081 . 1 1 105 105 GLU HA H 1 3.41 0.03 . 1 . . . . . . . . 4779 1 1082 . 1 1 105 105 GLU HB2 H 1 2.35 0.03 . 2 . . . . . . . . 4779 1 1083 . 1 1 105 105 GLU HB3 H 1 2.24 0.03 . 2 . . . . . . . . 4779 1 1084 . 1 1 105 105 GLU HG2 H 1 1.78 0.03 . 2 . . . . . . . . 4779 1 1085 . 1 1 105 105 GLU HG3 H 1 2.08 0.03 . 2 . . . . . . . . 4779 1 1086 . 1 1 105 105 GLU C C 13 177.10 0.50 . 1 . . . . . . . . 4779 1 1087 . 1 1 105 105 GLU CA C 13 58.50 0.50 . 1 . . . . . . . . 4779 1 1088 . 1 1 105 105 GLU CB C 13 28.20 0.50 . 1 . . . . . . . . 4779 1 1089 . 1 1 105 105 GLU CG C 13 39.10 0.50 . 1 . . . . . . . . 4779 1 1090 . 1 1 105 105 GLU N N 15 114.10 0.25 . 1 . . . . . . . . 4779 1 1091 . 1 1 106 106 CYS H H 1 8.16 0.03 . 1 . . . . . . . . 4779 1 1092 . 1 1 106 106 CYS HA H 1 4.52 0.03 . 1 . . . . . . . . 4779 1 1093 . 1 1 106 106 CYS HB2 H 1 3.88 0.03 . 2 . . . . . . . . 4779 1 1094 . 1 1 106 106 CYS HB3 H 1 3.22 0.03 . 2 . . . . . . . . 4779 1 1095 . 1 1 106 106 CYS C C 13 174.00 0.50 . 1 . . . . . . . . 4779 1 1096 . 1 1 106 106 CYS CA C 13 59.00 0.50 . 1 . . . . . . . . 4779 1 1097 . 1 1 106 106 CYS CB C 13 46.90 0.50 . 1 . . . . . . . . 4779 1 1098 . 1 1 106 106 CYS N N 15 116.60 0.25 . 1 . . . . . . . . 4779 1 1099 . 1 1 107 107 ASN H H 1 8.07 0.03 . 1 . . . . . . . . 4779 1 1100 . 1 1 107 107 ASN HA H 1 4.30 0.03 . 1 . . . . . . . . 4779 1 1101 . 1 1 107 107 ASN HB2 H 1 3.13 0.03 . 2 . . . . . . . . 4779 1 1102 . 1 1 107 107 ASN HB3 H 1 2.14 0.03 . 2 . . . . . . . . 4779 1 1103 . 1 1 107 107 ASN C C 13 170.70 0.50 . 1 . . . . . . . . 4779 1 1104 . 1 1 107 107 ASN CA C 13 52.50 0.50 . 1 . . . . . . . . 4779 1 1105 . 1 1 107 107 ASN CB C 13 36.20 0.50 . 1 . . . . . . . . 4779 1 1106 . 1 1 107 107 ASN N N 15 116.70 0.25 . 1 . . . . . . . . 4779 1 1107 . 1 1 108 108 ASP H H 1 7.43 0.03 . 1 . . . . . . . . 4779 1 1108 . 1 1 108 108 ASP HA H 1 4.66 0.03 . 1 . . . . . . . . 4779 1 1109 . 1 1 108 108 ASP HB2 H 1 2.85 0.03 . 2 . . . . . . . . 4779 1 1110 . 1 1 108 108 ASP HB3 H 1 2.45 0.03 . 2 . . . . . . . . 4779 1 1111 . 1 1 108 108 ASP C C 13 174.90 0.50 . 1 . . . . . . . . 4779 1 1112 . 1 1 108 108 ASP CA C 13 55.00 0.50 . 1 . . . . . . . . 4779 1 1113 . 1 1 108 108 ASP CB C 13 43.70 0.50 . 1 . . . . . . . . 4779 1 1114 . 1 1 108 108 ASP N N 15 111.50 0.25 . 1 . . . . . . . . 4779 1 1115 . 1 1 109 109 ASN H H 1 7.25 0.03 . 1 . . . . . . . . 4779 1 1116 . 1 1 109 109 ASN HA H 1 5.15 0.03 . 1 . . . . . . . . 4779 1 1117 . 1 1 109 109 ASN HB2 H 1 2.79 0.03 . 2 . . . . . . . . 4779 1 1118 . 1 1 109 109 ASN HB3 H 1 2.55 0.03 . 2 . . . . . . . . 4779 1 1119 . 1 1 109 109 ASN C C 13 173.00 0.50 . 1 . . . . . . . . 4779 1 1120 . 1 1 109 109 ASN CA C 13 52.00 0.50 . 1 . . . . . . . . 4779 1 1121 . 1 1 109 109 ASN CB C 13 39.40 0.50 . 1 . . . . . . . . 4779 1 1122 . 1 1 109 109 ASN N N 15 115.10 0.25 . 1 . . . . . . . . 4779 1 1123 . 1 1 110 110 ILE HA H 1 4.09 0.03 . 1 . . . . . . . . 4779 1 1124 . 1 1 110 110 ILE HB H 1 1.74 0.03 . 1 . . . . . . . . 4779 1 1125 . 1 1 110 110 ILE HG12 H 1 1.25 0.03 . 2 . . . . . . . . 4779 1 1126 . 1 1 110 110 ILE HG13 H 1 0.92 0.03 . 2 . . . . . . . . 4779 1 1127 . 1 1 110 110 ILE HG21 H 1 0.40 0.03 . 1 . . . . . . . . 4779 1 1128 . 1 1 110 110 ILE HG22 H 1 0.40 0.03 . 1 . . . . . . . . 4779 1 1129 . 1 1 110 110 ILE HG23 H 1 0.40 0.03 . 1 . . . . . . . . 4779 1 1130 . 1 1 110 110 ILE HD11 H 1 0.62 0.03 . 1 . . . . . . . . 4779 1 1131 . 1 1 110 110 ILE HD12 H 1 0.62 0.03 . 1 . . . . . . . . 4779 1 1132 . 1 1 110 110 ILE HD13 H 1 0.62 0.03 . 1 . . . . . . . . 4779 1 1133 . 1 1 110 110 ILE CA C 13 60.50 0.50 . 1 . . . . . . . . 4779 1 1134 . 1 1 110 110 ILE CB C 13 38.20 0.50 . 1 . . . . . . . . 4779 1 1135 . 1 1 110 110 ILE CG1 C 13 27.20 0.50 . 1 . . . . . . . . 4779 1 1136 . 1 1 110 110 ILE CG2 C 13 20.20 0.50 . 1 . . . . . . . . 4779 1 1137 . 1 1 110 110 ILE CD1 C 13 14.30 0.50 . 1 . . . . . . . . 4779 1 1138 . 1 1 111 111 ILE HA H 1 4.12 0.03 . 1 . . . . . . . . 4779 1 1139 . 1 1 111 111 ILE HB H 1 1.81 0.03 . 1 . . . . . . . . 4779 1 1140 . 1 1 111 111 ILE HG12 H 1 0.92 0.03 . 2 . . . . . . . . 4779 1 1141 . 1 1 111 111 ILE HG13 H 1 1.39 0.03 . 2 . . . . . . . . 4779 1 1142 . 1 1 111 111 ILE HG21 H 1 0.76 0.03 . 1 . . . . . . . . 4779 1 1143 . 1 1 111 111 ILE HG22 H 1 0.76 0.03 . 1 . . . . . . . . 4779 1 1144 . 1 1 111 111 ILE HG23 H 1 0.76 0.03 . 1 . . . . . . . . 4779 1 1145 . 1 1 111 111 ILE HD11 H 1 0.72 0.03 . 1 . . . . . . . . 4779 1 1146 . 1 1 111 111 ILE HD12 H 1 0.72 0.03 . 1 . . . . . . . . 4779 1 1147 . 1 1 111 111 ILE HD13 H 1 0.72 0.03 . 1 . . . . . . . . 4779 1 1148 . 1 1 111 111 ILE C C 13 174.90 0.50 . 1 . . . . . . . . 4779 1 1149 . 1 1 111 111 ILE CA C 13 61.10 0.50 . 1 . . . . . . . . 4779 1 1150 . 1 1 111 111 ILE CB C 13 39.80 0.50 . 1 . . . . . . . . 4779 1 1151 . 1 1 111 111 ILE CG1 C 13 27.60 0.50 . 1 . . . . . . . . 4779 1 1152 . 1 1 111 111 ILE CG2 C 13 18.00 0.50 . 1 . . . . . . . . 4779 1 1153 . 1 1 111 111 ILE CD1 C 13 13.80 0.50 . 1 . . . . . . . . 4779 1 1154 . 1 1 112 112 PHE H H 1 8.66 0.03 . 1 . . . . . . . . 4779 1 1155 . 1 1 112 112 PHE HA H 1 4.38 0.03 . 1 . . . . . . . . 4779 1 1156 . 1 1 112 112 PHE HB2 H 1 2.62 0.03 . 2 . . . . . . . . 4779 1 1157 . 1 1 112 112 PHE HB3 H 1 2.51 0.03 . 2 . . . . . . . . 4779 1 1158 . 1 1 112 112 PHE HZ H 1 5.72 0.03 . 1 . . . . . . . . 4779 1 1159 . 1 1 112 112 PHE HD2 H 1 6.44 0.03 . 3 . . . . . . . . 4779 1 1160 . 1 1 112 112 PHE HE2 H 1 6.03 0.03 . 3 . . . . . . . . 4779 1 1161 . 1 1 112 112 PHE C C 13 176.10 0.50 . 1 . . . . . . . . 4779 1 1162 . 1 1 112 112 PHE CA C 13 58.80 0.50 . 1 . . . . . . . . 4779 1 1163 . 1 1 112 112 PHE CB C 13 39.80 0.50 . 1 . . . . . . . . 4779 1 1164 . 1 1 112 112 PHE CZ C 13 128.00 0.50 . 1 . . . . . . . . 4779 1 1165 . 1 1 112 112 PHE CD1 C 13 131.80 0.50 . 3 . . . . . . . . 4779 1 1166 . 1 1 112 112 PHE CE1 C 13 130.60 0.50 . 3 . . . . . . . . 4779 1 1167 . 1 1 112 112 PHE N N 15 124.70 0.25 . 1 . . . . . . . . 4779 1 1168 . 1 1 113 113 SER H H 1 8.21 0.03 . 1 . . . . . . . . 4779 1 1169 . 1 1 113 113 SER HA H 1 4.54 0.03 . 1 . . . . . . . . 4779 1 1170 . 1 1 113 113 SER HB2 H 1 3.78 0.03 . 2 . . . . . . . . 4779 1 1171 . 1 1 113 113 SER HB3 H 1 3.88 0.03 . 2 . . . . . . . . 4779 1 1172 . 1 1 113 113 SER C C 13 173.60 0.50 . 1 . . . . . . . . 4779 1 1173 . 1 1 113 113 SER CA C 13 57.70 0.50 . 1 . . . . . . . . 4779 1 1174 . 1 1 113 113 SER CB C 13 64.50 0.50 . 1 . . . . . . . . 4779 1 1175 . 1 1 113 113 SER N N 15 114.70 0.25 . 1 . . . . . . . . 4779 1 1176 . 1 1 114 114 GLU H H 1 8.71 0.03 . 1 . . . . . . . . 4779 1 1177 . 1 1 114 114 GLU HA H 1 4.27 0.03 . 1 . . . . . . . . 4779 1 1178 . 1 1 114 114 GLU HB2 H 1 2.04 0.03 . 2 . . . . . . . . 4779 1 1179 . 1 1 114 114 GLU HB3 H 1 1.87 0.03 . 2 . . . . . . . . 4779 1 1180 . 1 1 114 114 GLU HG2 H 1 2.19 0.03 . 2 . . . . . . . . 4779 1 1181 . 1 1 114 114 GLU C C 13 176.10 0.50 . 1 . . . . . . . . 4779 1 1182 . 1 1 114 114 GLU CA C 13 56.80 0.50 . 1 . . . . . . . . 4779 1 1183 . 1 1 114 114 GLU CB C 13 30.50 0.50 . 1 . . . . . . . . 4779 1 1184 . 1 1 114 114 GLU CG C 13 36.60 0.50 . 1 . . . . . . . . 4779 1 1185 . 1 1 114 114 GLU N N 15 123.90 0.25 . 1 . . . . . . . . 4779 1 1186 . 1 1 115 115 GLU H H 1 8.38 0.03 . 1 . . . . . . . . 4779 1 1187 . 1 1 115 115 GLU HA H 1 4.20 0.03 . 1 . . . . . . . . 4779 1 1188 . 1 1 115 115 GLU HB2 H 1 1.83 0.03 . 2 . . . . . . . . 4779 1 1189 . 1 1 115 115 GLU HB3 H 1 1.91 0.03 . 2 . . . . . . . . 4779 1 1190 . 1 1 115 115 GLU HG2 H 1 2.11 0.03 . 2 . . . . . . . . 4779 1 1191 . 1 1 115 115 GLU C C 13 175.90 0.50 . 1 . . . . . . . . 4779 1 1192 . 1 1 115 115 GLU CA C 13 56.60 0.50 . 1 . . . . . . . . 4779 1 1193 . 1 1 115 115 GLU CB C 13 30.20 0.50 . 1 . . . . . . . . 4779 1 1194 . 1 1 115 115 GLU CG C 13 36.00 0.50 . 1 . . . . . . . . 4779 1 1195 . 1 1 115 115 GLU N N 15 121.30 0.25 . 1 . . . . . . . . 4779 1 1196 . 1 1 116 116 TYR H H 1 8.13 0.03 . 1 . . . . . . . . 4779 1 1197 . 1 1 116 116 TYR HA H 1 4.57 0.03 . 1 . . . . . . . . 4779 1 1198 . 1 1 116 116 TYR HB2 H 1 3.10 0.03 . 2 . . . . . . . . 4779 1 1199 . 1 1 116 116 TYR HB3 H 1 2.92 0.03 . 2 . . . . . . . . 4779 1 1200 . 1 1 116 116 TYR HD2 H 1 7.09 0.03 . 3 . . . . . . . . 4779 1 1201 . 1 1 116 116 TYR HE2 H 1 6.81 0.03 . 3 . . . . . . . . 4779 1 1202 . 1 1 116 116 TYR C C 13 175.30 0.50 . 1 . . . . . . . . 4779 1 1203 . 1 1 116 116 TYR CA C 13 57.80 0.50 . 1 . . . . . . . . 4779 1 1204 . 1 1 116 116 TYR CB C 13 38.70 0.50 . 1 . . . . . . . . 4779 1 1205 . 1 1 116 116 TYR CD1 C 13 133.30 0.50 . 3 . . . . . . . . 4779 1 1206 . 1 1 116 116 TYR CE1 C 13 118.40 0.50 . 3 . . . . . . . . 4779 1 1207 . 1 1 116 116 TYR N N 15 120.90 0.25 . 1 . . . . . . . . 4779 1 1208 . 1 1 117 117 ASN H H 1 8.30 0.03 . 1 . . . . . . . . 4779 1 1209 . 1 1 117 117 ASN HA H 1 4.72 0.03 . 1 . . . . . . . . 4779 1 1210 . 1 1 117 117 ASN HB2 H 1 2.83 0.03 . 2 . . . . . . . . 4779 1 1211 . 1 1 117 117 ASN HB3 H 1 2.68 0.03 . 2 . . . . . . . . 4779 1 1212 . 1 1 117 117 ASN C C 13 175.20 0.50 . 1 . . . . . . . . 4779 1 1213 . 1 1 117 117 ASN CA C 13 53.20 0.50 . 1 . . . . . . . . 4779 1 1214 . 1 1 117 117 ASN CB C 13 39.10 0.50 . 1 . . . . . . . . 4779 1 1215 . 1 1 117 117 ASN N N 15 120.90 0.25 . 1 . . . . . . . . 4779 1 1216 . 1 1 118 118 THR H H 1 8.13 0.03 . 1 . . . . . . . . 4779 1 1217 . 1 1 118 118 THR HA H 1 4.32 0.03 . 1 . . . . . . . . 4779 1 1218 . 1 1 118 118 THR HB H 1 4.28 0.03 . 1 . . . . . . . . 4779 1 1219 . 1 1 118 118 THR HG21 H 1 1.18 0.03 . 1 . . . . . . . . 4779 1 1220 . 1 1 118 118 THR HG22 H 1 1.18 0.03 . 1 . . . . . . . . 4779 1 1221 . 1 1 118 118 THR HG23 H 1 1.18 0.03 . 1 . . . . . . . . 4779 1 1222 . 1 1 118 118 THR C C 13 174.60 0.50 . 1 . . . . . . . . 4779 1 1223 . 1 1 118 118 THR CA C 13 62.10 0.50 . 1 . . . . . . . . 4779 1 1224 . 1 1 118 118 THR CB C 13 69.60 0.50 . 1 . . . . . . . . 4779 1 1225 . 1 1 118 118 THR CG2 C 13 21.40 0.50 . 1 . . . . . . . . 4779 1 1226 . 1 1 118 118 THR N N 15 114.40 0.25 . 1 . . . . . . . . 4779 1 1227 . 1 1 119 119 SER H H 1 8.26 0.03 . 1 . . . . . . . . 4779 1 1228 . 1 1 119 119 SER HA H 1 4.46 0.03 . 1 . . . . . . . . 4779 1 1229 . 1 1 119 119 SER HB2 H 1 3.84 0.03 . 2 . . . . . . . . 4779 1 1230 . 1 1 119 119 SER C C 13 173.70 0.50 . 1 . . . . . . . . 4779 1 1231 . 1 1 119 119 SER CA C 13 58.50 0.50 . 1 . . . . . . . . 4779 1 1232 . 1 1 119 119 SER CB C 13 63.90 0.50 . 1 . . . . . . . . 4779 1 1233 . 1 1 119 119 SER N N 15 117.80 0.25 . 1 . . . . . . . . 4779 1 1234 . 1 1 120 120 ASN H H 1 8.38 0.03 . 1 . . . . . . . . 4779 1 1235 . 1 1 120 120 ASN HA H 1 5.00 0.03 . 1 . . . . . . . . 4779 1 1236 . 1 1 120 120 ASN HB2 H 1 2.81 0.03 . 2 . . . . . . . . 4779 1 1237 . 1 1 120 120 ASN HB3 H 1 2.65 0.03 . 2 . . . . . . . . 4779 1 1238 . 1 1 120 120 ASN C C 13 173.10 0.50 . 1 . . . . . . . . 4779 1 1239 . 1 1 120 120 ASN CA C 13 51.60 0.50 . 1 . . . . . . . . 4779 1 1240 . 1 1 120 120 ASN CB C 13 39.00 0.50 . 1 . . . . . . . . 4779 1 1241 . 1 1 120 120 ASN N N 15 121.60 0.25 . 1 . . . . . . . . 4779 1 1242 . 1 1 121 121 PRO HA H 1 4.44 0.03 . 1 . . . . . . . . 4779 1 1243 . 1 1 121 121 PRO HB2 H 1 2.01 0.03 . 2 . . . . . . . . 4779 1 1244 . 1 1 121 121 PRO HB3 H 1 2.22 0.03 . 2 . . . . . . . . 4779 1 1245 . 1 1 121 121 PRO HG2 H 1 2.00 0.03 . 2 . . . . . . . . 4779 1 1246 . 1 1 121 121 PRO HD2 H 1 3.72 0.03 . 2 . . . . . . . . 4779 1 1247 . 1 1 121 121 PRO C C 13 175.80 0.50 . 1 . . . . . . . . 4779 1 1248 . 1 1 121 121 PRO CA C 13 63.50 0.50 . 1 . . . . . . . . 4779 1 1249 . 1 1 121 121 PRO CB C 13 32.00 0.50 . 1 . . . . . . . . 4779 1 1250 . 1 1 121 121 PRO CG C 13 27.00 0.50 . 1 . . . . . . . . 4779 1 1251 . 1 1 121 121 PRO CD C 13 50.50 0.50 . 1 . . . . . . . . 4779 1 1252 . 1 1 122 122 ASP H H 1 7.93 0.03 . 1 . . . . . . . . 4779 1 1253 . 1 1 122 122 ASP HA H 1 4.36 0.03 . 1 . . . . . . . . 4779 1 1254 . 1 1 122 122 ASP HB2 H 1 2.57 0.03 . 2 . . . . . . . . 4779 1 1255 . 1 1 122 122 ASP HB3 H 1 2.67 0.03 . 2 . . . . . . . . 4779 1 1256 . 1 1 122 122 ASP C C 13 180.60 0.50 . 1 . . . . . . . . 4779 1 1257 . 1 1 122 122 ASP CA C 13 55.70 0.50 . 1 . . . . . . . . 4779 1 1258 . 1 1 122 122 ASP CB C 13 41.80 0.50 . 1 . . . . . . . . 4779 1 1259 . 1 1 122 122 ASP N N 15 125.60 0.25 . 1 . . . . . . . . 4779 1 stop_ save_