data_5953 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5953 _Entry.Title ; Sequential Resonance Assignments of the Extracellular Domain of the Human TGFB type II Receptor in Complex with Monomeric TGFB3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-09-17 _Entry.Accession_date 2003-09-18 _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 Udayar Ilangovan . . . 5953 2 Shashank Deep . . . 5953 3 Cynthia Hinck . . . 5953 4 Andrew Hinck . . . 5953 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5953 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 171 5953 '13C chemical shifts' 326 5953 '15N chemical shifts' 93 5953 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 . . 2004-03-18 . update BMRB 'Updated Citation' 5953 2 . . 2003-12-05 . original author 'Original Release' 5953 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5954 'TGFB type II Receptor, free form' 5953 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5953 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15017149 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequential Resonance Assignments of the Extracellular Domain of the Human TGFbeta type II Receptor in Complex with Monomeric TGFbeta3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 1 _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 103 _Citation.Page_last 104 _Citation.Year 2004 _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 Udayar Ilangovan . . . 5953 1 2 Shashank Deep . . . 5953 1 3 Cynthia Hinck . S. . 5953 1 4 Andrew Hinck . P. . 5953 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Transforming growth factor-beta' 5953 1 TGF 5953 1 'type II receptor' 5953 1 'Ligand-Receptor Complex' 5953 1 NMR 5953 1 Deutration 5953 1 TROSY 5953 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TGFB_type_II_Receptor_and_TGFB3_complex _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TGFB_type_II_Receptor_and_TGFB3_complex _Assembly.Entry_ID 5953 _Assembly.ID 1 _Assembly.Name 'Human TGFB type II Receptor and Monomeric TGFB3 Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5953 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 'tgfb type II receptor' 1 $TGFB_type_II_Receptor . . . native . . . . . 5953 1 2 'tgfb3 monomer' 2 $tgfb3_c77s . . . native . . . . . 5953 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Human TGFB type II Receptor and Monomeric TGFB3 Complex' system 5953 1 'TGFB type II Receptor and TGFB3 complex' abbreviation 5953 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TGFB_type_II_Receptor _Entity.Sf_category entity _Entity.Sf_framecode TGFB_type_II_Receptor _Entity.Entry_ID 5953 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Transforming Growth Factor 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 ; AVKFPQLCKFCDVRFSTCDN QKSCMSNCSITSICEKPQEV CVAVWRKNDENITLETVCHD PKLPYHDFILEDAASPKCIM KEKKKPGETFFMCSCSSDEC NDNIIFSEEYNTSNPE ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4411 . TGF-beta3 . . . . . 100.00 112 98.21 99.11 2.40e-75 . . . . 5953 1 2 no PDB 1KTZ . "Crystal Structure Of The Human Tgf-Beta Type Ii Receptor Extracellular Domain In Complex With Tgf-Beta3" . . . . . 100.00 112 98.21 99.11 2.40e-75 . . . . 5953 1 3 no PDB 1TGJ . "Human Transforming Growth Factor-beta 3, Crystallized From Dioxane" . . . . . 100.00 112 98.21 99.11 2.40e-75 . . . . 5953 1 4 no PDB 1TGK . "Human Transforming Growth Factor Beta 3, Crystallized From Peg 4000" . . . . . 100.00 112 98.21 99.11 2.40e-75 . . . . 5953 1 5 no PDB 2PJY . "Structural Basis For Cooperative Assembly Of The Tgf-Beta Signaling Complex" . . . . . 100.00 112 98.21 99.11 2.40e-75 . . . . 5953 1 6 no PDB 3EO1 . "Structure Of The Fab Fragment Of Gc-1008 In Complex With Transforming Growth Factor-Beta 3" . . . . . 100.00 112 98.21 99.11 2.40e-75 . . . . 5953 1 7 no DBJ BAE21215 . "unnamed protein product [Mus musculus]" . . . . . 100.00 412 98.21 99.11 2.57e-74 . . . . 5953 1 8 no DBJ BAE26357 . "unnamed protein product [Mus musculus]" . . . . . 100.00 412 98.21 99.11 2.57e-74 . . . . 5953 1 9 no DBJ BAE28523 . "unnamed protein product [Mus musculus]" . . . . . 100.00 412 98.21 99.11 2.57e-74 . . . . 5953 1 10 no DBJ BAE36326 . "unnamed protein product [Mus musculus]" . . . . . 100.00 197 98.21 99.11 3.95e-75 . . . . 5953 1 11 no DBJ BAE36968 . "unnamed protein product [Mus musculus]" . . . . . 100.00 351 98.21 99.11 2.36e-74 . . . . 5953 1 12 no EMBL CAA32362 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 412 98.21 99.11 3.36e-74 . . . . 5953 1 13 no EMBL CAA33024 . "ransforming growth factor-beta 3 [Homo sapiens]" . . . . . 100.00 410 98.21 99.11 3.91e-74 . . . . 5953 1 14 no EMBL CAR70088 . "TGF-beta3 [synthetic construct]" . . . . . 100.00 113 98.21 99.11 1.84e-75 . . . . 5953 1 15 no GB AAA40422 . "transforming growth factor beta-3 (TGF beta-3) precursor (start site 611 could be 368 or 477) [Mus musculus]" . . . . . 100.00 410 98.21 99.11 3.09e-74 . . . . 5953 1 16 no GB AAA49089 . "transforming growth factor beta precursor [Gallus gallus]" . . . . . 100.00 412 97.32 99.11 7.87e-74 . . . . 5953 1 17 no GB AAA61161 . "transforming growth factor-beta3 [Homo sapiens]" . . . . . 100.00 412 98.21 99.11 3.36e-74 . . . . 5953 1 18 no GB AAA67915 . "transforming growth factor beta-3 [Rattus norvegicus]" . . . . . 100.00 412 99.11 99.11 1.33e-74 . . . . 5953 1 19 no GB AAC79727 . "transforming growth factor-beta 3 [Homo sapiens]" . . . . . 100.00 412 98.21 99.11 3.36e-74 . . . . 5953 1 20 no REF NP_001094653 . "transforming growth factor beta-3 [Bos taurus]" . . . . . 100.00 452 99.11 99.11 5.95e-74 . . . . 5953 1 21 no REF NP_001244404 . "transforming growth factor beta-3 precursor [Macaca mulatta]" . . . . . 100.00 412 98.21 99.11 3.67e-74 . . . . 5953 1 22 no REF NP_003230 . "transforming growth factor beta-3 preproprotein [Homo sapiens]" . . . . . 100.00 412 98.21 99.11 3.36e-74 . . . . 5953 1 23 no REF NP_033394 . "transforming growth factor beta-3 preproprotein [Mus musculus]" . . . . . 100.00 412 98.21 99.11 2.57e-74 . . . . 5953 1 24 no REF NP_037306 . "transforming growth factor beta-3 preproprotein [Rattus norvegicus]" . . . . . 100.00 412 99.11 99.11 1.33e-74 . . . . 5953 1 25 no SP P10600 . "RecName: Full=Transforming growth factor beta-3; Short=TGF-beta-3; Contains: RecName: Full=Latency-associated peptide; Short=LA" . . . . . 100.00 412 98.21 99.11 3.36e-74 . . . . 5953 1 26 no SP P17125 . "RecName: Full=Transforming growth factor beta-3; Short=TGF-beta-3; Contains: RecName: Full=Latency-associated peptide; Short=LA" . . . . . 100.00 410 98.21 99.11 3.09e-74 . . . . 5953 1 27 no SP Q07258 . "RecName: Full=Transforming growth factor beta-3; Short=TGF-beta-3; Contains: RecName: Full=Latency-associated peptide; Short=LA" . . . . . 100.00 412 99.11 99.11 1.33e-74 . . . . 5953 1 28 no TPG DAA25016 . "TPA: transforming growth factor beta-3 [Bos taurus]" . . . . . 100.00 452 99.11 99.11 5.95e-74 . . . . 5953 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Transforming Growth Factor type II Receptor' common 5953 1 'TGFB type II Receptor' abbreviation 5953 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 21 ALA . 5953 1 2 22 VAL . 5953 1 3 23 LYS . 5953 1 4 24 PHE . 5953 1 5 25 PRO . 5953 1 6 26 GLN . 5953 1 7 27 LEU . 5953 1 8 28 CYS . 5953 1 9 29 LYS . 5953 1 10 30 PHE . 5953 1 11 31 CYS . 5953 1 12 32 ASP . 5953 1 13 33 VAL . 5953 1 14 34 ARG . 5953 1 15 35 PHE . 5953 1 16 36 SER . 5953 1 17 37 THR . 5953 1 18 38 CYS . 5953 1 19 39 ASP . 5953 1 20 40 ASN . 5953 1 21 41 GLN . 5953 1 22 42 LYS . 5953 1 23 43 SER . 5953 1 24 44 CYS . 5953 1 25 45 MET . 5953 1 26 46 SER . 5953 1 27 47 ASN . 5953 1 28 48 CYS . 5953 1 29 49 SER . 5953 1 30 50 ILE . 5953 1 31 51 THR . 5953 1 32 52 SER . 5953 1 33 53 ILE . 5953 1 34 54 CYS . 5953 1 35 55 GLU . 5953 1 36 56 LYS . 5953 1 37 57 PRO . 5953 1 38 58 GLN . 5953 1 39 59 GLU . 5953 1 40 60 VAL . 5953 1 41 61 CYS . 5953 1 42 62 VAL . 5953 1 43 63 ALA . 5953 1 44 64 VAL . 5953 1 45 65 TRP . 5953 1 46 66 ARG . 5953 1 47 67 LYS . 5953 1 48 68 ASN . 5953 1 49 69 ASP . 5953 1 50 70 GLU . 5953 1 51 71 ASN . 5953 1 52 72 ILE . 5953 1 53 73 THR . 5953 1 54 74 LEU . 5953 1 55 75 GLU . 5953 1 56 76 THR . 5953 1 57 77 VAL . 5953 1 58 78 CYS . 5953 1 59 79 HIS . 5953 1 60 80 ASP . 5953 1 61 81 PRO . 5953 1 62 82 LYS . 5953 1 63 83 LEU . 5953 1 64 84 PRO . 5953 1 65 85 TYR . 5953 1 66 86 HIS . 5953 1 67 87 ASP . 5953 1 68 88 PHE . 5953 1 69 89 ILE . 5953 1 70 90 LEU . 5953 1 71 91 GLU . 5953 1 72 92 ASP . 5953 1 73 93 ALA . 5953 1 74 94 ALA . 5953 1 75 95 SER . 5953 1 76 96 PRO . 5953 1 77 97 LYS . 5953 1 78 98 CYS . 5953 1 79 99 ILE . 5953 1 80 100 MET . 5953 1 81 101 LYS . 5953 1 82 102 GLU . 5953 1 83 103 LYS . 5953 1 84 104 LYS . 5953 1 85 105 LYS . 5953 1 86 106 PRO . 5953 1 87 107 GLY . 5953 1 88 108 GLU . 5953 1 89 109 THR . 5953 1 90 110 PHE . 5953 1 91 111 PHE . 5953 1 92 112 MET . 5953 1 93 113 CYS . 5953 1 94 114 SER . 5953 1 95 115 CYS . 5953 1 96 116 SER . 5953 1 97 117 SER . 5953 1 98 118 ASP . 5953 1 99 119 GLU . 5953 1 100 120 CYS . 5953 1 101 121 ASN . 5953 1 102 122 ASP . 5953 1 103 123 ASN . 5953 1 104 124 ILE . 5953 1 105 125 ILE . 5953 1 106 126 PHE . 5953 1 107 127 SER . 5953 1 108 128 GLU . 5953 1 109 129 GLU . 5953 1 110 130 TYR . 5953 1 111 131 ASN . 5953 1 112 132 THR . 5953 1 113 133 SER . 5953 1 114 134 ASN . 5953 1 115 135 PRO . 5953 1 116 136 GLU . 5953 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 . ALA 1 1 5953 1 . VAL 2 2 5953 1 . LYS 3 3 5953 1 . PHE 4 4 5953 1 . PRO 5 5 5953 1 . GLN 6 6 5953 1 . LEU 7 7 5953 1 . CYS 8 8 5953 1 . LYS 9 9 5953 1 . PHE 10 10 5953 1 . CYS 11 11 5953 1 . ASP 12 12 5953 1 . VAL 13 13 5953 1 . ARG 14 14 5953 1 . PHE 15 15 5953 1 . SER 16 16 5953 1 . THR 17 17 5953 1 . CYS 18 18 5953 1 . ASP 19 19 5953 1 . ASN 20 20 5953 1 . GLN 21 21 5953 1 . LYS 22 22 5953 1 . SER 23 23 5953 1 . CYS 24 24 5953 1 . MET 25 25 5953 1 . SER 26 26 5953 1 . ASN 27 27 5953 1 . CYS 28 28 5953 1 . SER 29 29 5953 1 . ILE 30 30 5953 1 . THR 31 31 5953 1 . SER 32 32 5953 1 . ILE 33 33 5953 1 . CYS 34 34 5953 1 . GLU 35 35 5953 1 . LYS 36 36 5953 1 . PRO 37 37 5953 1 . GLN 38 38 5953 1 . GLU 39 39 5953 1 . VAL 40 40 5953 1 . CYS 41 41 5953 1 . VAL 42 42 5953 1 . ALA 43 43 5953 1 . VAL 44 44 5953 1 . TRP 45 45 5953 1 . ARG 46 46 5953 1 . LYS 47 47 5953 1 . ASN 48 48 5953 1 . ASP 49 49 5953 1 . GLU 50 50 5953 1 . ASN 51 51 5953 1 . ILE 52 52 5953 1 . THR 53 53 5953 1 . LEU 54 54 5953 1 . GLU 55 55 5953 1 . THR 56 56 5953 1 . VAL 57 57 5953 1 . CYS 58 58 5953 1 . HIS 59 59 5953 1 . ASP 60 60 5953 1 . PRO 61 61 5953 1 . LYS 62 62 5953 1 . LEU 63 63 5953 1 . PRO 64 64 5953 1 . TYR 65 65 5953 1 . HIS 66 66 5953 1 . ASP 67 67 5953 1 . PHE 68 68 5953 1 . ILE 69 69 5953 1 . LEU 70 70 5953 1 . GLU 71 71 5953 1 . ASP 72 72 5953 1 . ALA 73 73 5953 1 . ALA 74 74 5953 1 . SER 75 75 5953 1 . PRO 76 76 5953 1 . LYS 77 77 5953 1 . CYS 78 78 5953 1 . ILE 79 79 5953 1 . MET 80 80 5953 1 . LYS 81 81 5953 1 . GLU 82 82 5953 1 . LYS 83 83 5953 1 . LYS 84 84 5953 1 . LYS 85 85 5953 1 . PRO 86 86 5953 1 . GLY 87 87 5953 1 . GLU 88 88 5953 1 . THR 89 89 5953 1 . PHE 90 90 5953 1 . PHE 91 91 5953 1 . MET 92 92 5953 1 . CYS 93 93 5953 1 . SER 94 94 5953 1 . CYS 95 95 5953 1 . SER 96 96 5953 1 . SER 97 97 5953 1 . ASP 98 98 5953 1 . GLU 99 99 5953 1 . CYS 100 100 5953 1 . ASN 101 101 5953 1 . ASP 102 102 5953 1 . ASN 103 103 5953 1 . ILE 104 104 5953 1 . ILE 105 105 5953 1 . PHE 106 106 5953 1 . SER 107 107 5953 1 . GLU 108 108 5953 1 . GLU 109 109 5953 1 . TYR 110 110 5953 1 . ASN 111 111 5953 1 . THR 112 112 5953 1 . SER 113 113 5953 1 . ASN 114 114 5953 1 . PRO 115 115 5953 1 . GLU 116 116 5953 1 stop_ save_ save_tgfb3_c77s _Entity.Sf_category entity _Entity.Sf_framecode tgfb3_c77s _Entity.Entry_ID 5953 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Transforming Growth Factor- Beta 3' _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 ; ALDTNYCFRNLEENCCVRPL YIDFRQDLGWKWVHEPKGYY ANFCSGPCPYLRSSDTTHST VLGLYNTLNPEASASPSCVP QDLEPLTILYYVGRTPKVEQ LSNMVVKSCKCS ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 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 . . SWISS-PROT Q07258 . 'Transforming growth factor beta-3 precursor (TGF-beta-3)' . . . . . 100.00 412 99.11 99.11 1.02e-61 . . . . 5953 2 . . SWISS-PROT P17125 . 'Transforming growth factor beta-3 precursor (TGF-beta-3)' . . . . . 100.00 410 98.21 99.11 2.04e-61 . . . . 5953 2 . . SWISS-PROT P10600 . 'Transforming growth factor beta-3 precursor (TGF-beta-3)' . . . . . 100.00 412 98.21 99.11 2.10e-61 . . . . 5953 2 . . REF XP_001100053 . 'PREDICTED: transforming growth factor, beta 3 isoform 2 [Macaca mulatta]' . . . . . 100.00 412 98.21 99.11 2.24e-61 . . . . 5953 2 . . REF NP_037306 . 'transforming growth factor, beta 3 [Rattus norvegicus]' . . . . . 100.00 412 99.11 99.11 1.02e-61 . . . . 5953 2 . . REF NP_033394 . 'transforming growth factor, beta 3 [Mus musculus]' . . . . . 100.00 410 98.21 99.11 2.04e-61 . . . . 5953 2 . . REF NP_003230 . 'transforming growth factor, beta 3 [Homo sapiens]' . . . . . 100.00 412 98.21 99.11 2.10e-61 . . . . 5953 2 . . REF NP_001094653 . 'transforming growth factor, beta 3 [Bos taurus]' . . . . . 100.00 452 99.11 99.11 1.48e-61 . . . . 5953 2 . . GenBank AAF73231 . 'transforming growth factor beta 3 [Capreolus capreolus]' . . . . . 72.32 81 98.77 98.77 1.26e-40 . . . . 5953 2 . . GenBank AAC79727 . 'transforming growth factor-beta 3 [Homo sapiens]' . . . . . 100.00 412 98.21 99.11 2.10e-61 . . . . 5953 2 . . GenBank AAA67915 . 'transforming growth factor beta-3' . . . . . 100.00 412 99.11 99.11 1.02e-61 . . . . 5953 2 . . GenBank AAA61161 . 'transforming growth factor-beta3' . . . . . 100.00 412 98.21 99.11 2.10e-61 . . . . 5953 2 . . GenBank AAA40422 . 'transforming growth factor beta-3 (TGF beta-3) precursor (start site 611 could be 368 or 477)' . . . . . 100.00 410 98.21 99.11 2.04e-61 . . . . 5953 2 . . EMBL CAA33024 . 'ransforming growth factor-beta 3 [Homo sapiens]' . . . . . 100.00 410 98.21 99.11 2.46e-61 . . . . 5953 2 . . EMBL CAA32362 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 412 98.21 99.11 2.10e-61 . . . . 5953 2 . . DBJ BAE36968 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 351 98.21 99.11 5.75e-61 . . . . 5953 2 . . DBJ BAE36326 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 197 98.21 99.11 5.25e-60 . . . . 5953 2 . . DBJ BAE28523 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 412 98.21 99.11 1.70e-61 . . . . 5953 2 . . DBJ BAE26357 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 412 98.21 99.11 1.70e-61 . . . . 5953 2 . . DBJ BAE21215 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 412 98.21 99.11 1.70e-61 . . . . 5953 2 . . PDB 2PJY . 'Structural Basis For Cooperative Assembly Of The Tgf-Beta Signaling Complex' . . . . . 100.00 112 98.21 99.11 2.90e-59 . . . . 5953 2 . . PDB 1TGK . 'Human Transforming Growth Factor Beta 3, Crystallized From Peg 4000' . . . . . 100.00 112 98.21 99.11 2.90e-59 . . . . 5953 2 . . PDB 1TGJ . 'Human Transforming Growth Factor-Beta 3, Crystallized From Dioxane' . . . . . 100.00 112 98.21 99.11 2.90e-59 . . . . 5953 2 . . PDB 1KTZ . 'Crystal Structure Of The Human Tgf-Beta Type Ii Receptor Extracellular Domain In Complex With Tgf-Beta3' . . . . . 100.00 112 98.21 99.11 2.90e-59 . . . . 5953 2 . . BMRB 4411 . 'human transforming growth factor beta3' . . . . . 100.00 112 98.21 99.11 2.90e-59 . . . . 5953 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Transforming Growth Factor- Beta 3' common 5953 2 TGFB3 abbreviation 5953 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 5953 2 2 . LEU . 5953 2 3 . ASP . 5953 2 4 . THR . 5953 2 5 . ASN . 5953 2 6 . TYR . 5953 2 7 . CYS . 5953 2 8 . PHE . 5953 2 9 . ARG . 5953 2 10 . ASN . 5953 2 11 . LEU . 5953 2 12 . GLU . 5953 2 13 . GLU . 5953 2 14 . ASN . 5953 2 15 . CYS . 5953 2 16 . CYS . 5953 2 17 . VAL . 5953 2 18 . ARG . 5953 2 19 . PRO . 5953 2 20 . LEU . 5953 2 21 . TYR . 5953 2 22 . ILE . 5953 2 23 . ASP . 5953 2 24 . PHE . 5953 2 25 . ARG . 5953 2 26 . GLN . 5953 2 27 . ASP . 5953 2 28 . LEU . 5953 2 29 . GLY . 5953 2 30 . TRP . 5953 2 31 . LYS . 5953 2 32 . TRP . 5953 2 33 . VAL . 5953 2 34 . HIS . 5953 2 35 . GLU . 5953 2 36 . PRO . 5953 2 37 . LYS . 5953 2 38 . GLY . 5953 2 39 . TYR . 5953 2 40 . TYR . 5953 2 41 . ALA . 5953 2 42 . ASN . 5953 2 43 . PHE . 5953 2 44 . CYS . 5953 2 45 . SER . 5953 2 46 . GLY . 5953 2 47 . PRO . 5953 2 48 . CYS . 5953 2 49 . PRO . 5953 2 50 . TYR . 5953 2 51 . LEU . 5953 2 52 . ARG . 5953 2 53 . SER . 5953 2 54 . SER . 5953 2 55 . ASP . 5953 2 56 . THR . 5953 2 57 . THR . 5953 2 58 . HIS . 5953 2 59 . SER . 5953 2 60 . THR . 5953 2 61 . VAL . 5953 2 62 . LEU . 5953 2 63 . GLY . 5953 2 64 . LEU . 5953 2 65 . TYR . 5953 2 66 . ASN . 5953 2 67 . THR . 5953 2 68 . LEU . 5953 2 69 . ASN . 5953 2 70 . PRO . 5953 2 71 . GLU . 5953 2 72 . ALA . 5953 2 73 . SER . 5953 2 74 . ALA . 5953 2 75 . SER . 5953 2 76 . PRO . 5953 2 77 . SER . 5953 2 78 . CYS . 5953 2 79 . VAL . 5953 2 80 . PRO . 5953 2 81 . GLN . 5953 2 82 . ASP . 5953 2 83 . LEU . 5953 2 84 . GLU . 5953 2 85 . PRO . 5953 2 86 . LEU . 5953 2 87 . THR . 5953 2 88 . ILE . 5953 2 89 . LEU . 5953 2 90 . TYR . 5953 2 91 . TYR . 5953 2 92 . VAL . 5953 2 93 . GLY . 5953 2 94 . ARG . 5953 2 95 . THR . 5953 2 96 . PRO . 5953 2 97 . LYS . 5953 2 98 . VAL . 5953 2 99 . GLU . 5953 2 100 . GLN . 5953 2 101 . LEU . 5953 2 102 . SER . 5953 2 103 . ASN . 5953 2 104 . MET . 5953 2 105 . VAL . 5953 2 106 . VAL . 5953 2 107 . LYS . 5953 2 108 . SER . 5953 2 109 . CYS . 5953 2 110 . LYS . 5953 2 111 . CYS . 5953 2 112 . SER . 5953 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 5953 2 . LEU 2 2 5953 2 . ASP 3 3 5953 2 . THR 4 4 5953 2 . ASN 5 5 5953 2 . TYR 6 6 5953 2 . CYS 7 7 5953 2 . PHE 8 8 5953 2 . ARG 9 9 5953 2 . ASN 10 10 5953 2 . LEU 11 11 5953 2 . GLU 12 12 5953 2 . GLU 13 13 5953 2 . ASN 14 14 5953 2 . CYS 15 15 5953 2 . CYS 16 16 5953 2 . VAL 17 17 5953 2 . ARG 18 18 5953 2 . PRO 19 19 5953 2 . LEU 20 20 5953 2 . TYR 21 21 5953 2 . ILE 22 22 5953 2 . ASP 23 23 5953 2 . PHE 24 24 5953 2 . ARG 25 25 5953 2 . GLN 26 26 5953 2 . ASP 27 27 5953 2 . LEU 28 28 5953 2 . GLY 29 29 5953 2 . TRP 30 30 5953 2 . LYS 31 31 5953 2 . TRP 32 32 5953 2 . VAL 33 33 5953 2 . HIS 34 34 5953 2 . GLU 35 35 5953 2 . PRO 36 36 5953 2 . LYS 37 37 5953 2 . GLY 38 38 5953 2 . TYR 39 39 5953 2 . TYR 40 40 5953 2 . ALA 41 41 5953 2 . ASN 42 42 5953 2 . PHE 43 43 5953 2 . CYS 44 44 5953 2 . SER 45 45 5953 2 . GLY 46 46 5953 2 . PRO 47 47 5953 2 . CYS 48 48 5953 2 . PRO 49 49 5953 2 . TYR 50 50 5953 2 . LEU 51 51 5953 2 . ARG 52 52 5953 2 . SER 53 53 5953 2 . SER 54 54 5953 2 . ASP 55 55 5953 2 . THR 56 56 5953 2 . THR 57 57 5953 2 . HIS 58 58 5953 2 . SER 59 59 5953 2 . THR 60 60 5953 2 . VAL 61 61 5953 2 . LEU 62 62 5953 2 . GLY 63 63 5953 2 . LEU 64 64 5953 2 . TYR 65 65 5953 2 . ASN 66 66 5953 2 . THR 67 67 5953 2 . LEU 68 68 5953 2 . ASN 69 69 5953 2 . PRO 70 70 5953 2 . GLU 71 71 5953 2 . ALA 72 72 5953 2 . SER 73 73 5953 2 . ALA 74 74 5953 2 . SER 75 75 5953 2 . PRO 76 76 5953 2 . SER 77 77 5953 2 . CYS 78 78 5953 2 . VAL 79 79 5953 2 . PRO 80 80 5953 2 . GLN 81 81 5953 2 . ASP 82 82 5953 2 . LEU 83 83 5953 2 . GLU 84 84 5953 2 . PRO 85 85 5953 2 . LEU 86 86 5953 2 . THR 87 87 5953 2 . ILE 88 88 5953 2 . LEU 89 89 5953 2 . TYR 90 90 5953 2 . TYR 91 91 5953 2 . VAL 92 92 5953 2 . GLY 93 93 5953 2 . ARG 94 94 5953 2 . THR 95 95 5953 2 . PRO 96 96 5953 2 . LYS 97 97 5953 2 . VAL 98 98 5953 2 . GLU 99 99 5953 2 . GLN 100 100 5953 2 . LEU 101 101 5953 2 . SER 102 102 5953 2 . ASN 103 103 5953 2 . MET 104 104 5953 2 . VAL 105 105 5953 2 . VAL 106 106 5953 2 . LYS 107 107 5953 2 . SER 108 108 5953 2 . CYS 109 109 5953 2 . LYS 110 110 5953 2 . CYS 111 111 5953 2 . SER 112 112 5953 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5953 _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 $TGFB_type_II_Receptor . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5953 1 2 2 $tgfb3_c77s . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5953 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 5953 _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 $TGFB_type_II_Receptor . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5953 1 2 2 $tgfb3_c77s . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5953 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_bound_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode bound_sample_1 _Sample.Entry_ID 5953 _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 'Transforming Growth Factor type II Receptor' . . . 1 $TGFB_type_II_Receptor . . . 0.5 0.7 mM . . . . 5953 1 2 'Transforming Growth Factor- Beta 3' . . . 2 $tgfb3_c77s . . . 0.5 0.7 mM . . . . 5953 1 stop_ save_ save_bound_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode bound_sample_2 _Sample.Entry_ID 5953 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Transforming Growth Factor type II Receptor' . . . 1 $TGFB_type_II_Receptor . . 0.7 . . mM . . . . 5953 2 2 'Transforming Growth Factor- Beta 3' . . . 2 $tgfb3_c77s . . 0.7 . . mM . . . . 5953 2 stop_ save_ ####################### # Sample conditions # ####################### save_Expt_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Expt_condition_1 _Sample_condition_list.Entry_ID 5953 _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 6.6 0.05 pH 5953 1 temperature 312 0.3 K 5953 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPeE _Software.Sf_category software _Software.Sf_framecode NMRPIPeE _Software.Entry_ID 5953 _Software.ID 1 _Software.Name NMRPIPeE _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5953 1 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 5953 _Software.ID 2 _Software.Name NMRVIEW _Software.Version 4.1.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analyzing 5953 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5953 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5953 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5953 _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_1 Bruker DRX . 700 . . . 5953 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 5953 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 5953 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5953 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5953 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5953 1 4 HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5953 1 5 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5953 1 6 HC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5953 1 7 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5953 1 8 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5953 1 9 CT-13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5953 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 5953 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _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 'All the experiments are TROSY versions.' 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 5953 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _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 'All the experiments are TROSY versions.' 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 5953 _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 'All the experiments are TROSY versions.' 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 5953 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CACB _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 'All the experiments are TROSY versions.' 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 5953 _NMR_spec_expt.ID 5 _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 'All the experiments are TROSY versions.' 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 5953 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HC(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 'All the experiments are TROSY versions.' 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 5953 _NMR_spec_expt.ID 7 _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 'All the experiments are TROSY versions.' 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 5953 _NMR_spec_expt.ID 8 _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 'All the experiments are TROSY versions.' 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 5953 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CT-13C-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 'All the experiments are TROSY versions.' 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 5953 _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 . direct 1.000000000 . . . . . . . . . 5953 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5953 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5953 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5953 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Expt_condition_1 _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 HNCA . . . 5953 1 2 HN(CO)CA . . . 5953 1 3 HNCACB . . . 5953 1 4 HN(CO)CACB . . . 5953 1 5 C(CO)NH . . . 5953 1 6 HC(CO)NH . . . 5953 1 7 HNCO . . . 5953 1 8 HN(CA)CO . . . 5953 1 9 CT-13C-HSQC . . . 5953 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 2 2 VAL CA C 13 61.86 . . 1 . . . . . . . . 5953 1 2 . 1 1 2 2 VAL C C 13 174.77 . . 1 . . . . . . . . 5953 1 3 . 1 1 2 2 VAL CB C 13 32.38 . . 1 . . . . . . . . 5953 1 4 . 1 1 2 2 VAL CG1 C 13 21.02 . . 2 . . . . . . . . 5953 1 5 . 1 1 2 2 VAL HG11 H 1 0.68 . . 2 . . . . . . . . 5953 1 6 . 1 1 2 2 VAL HG12 H 1 0.68 . . 2 . . . . . . . . 5953 1 7 . 1 1 2 2 VAL HG13 H 1 0.68 . . 2 . . . . . . . . 5953 1 8 . 1 1 2 2 VAL CG2 C 13 20.66 . . 2 . . . . . . . . 5953 1 9 . 1 1 2 2 VAL HG21 H 1 0.80 . . 2 . . . . . . . . 5953 1 10 . 1 1 2 2 VAL HG22 H 1 0.80 . . 2 . . . . . . . . 5953 1 11 . 1 1 2 2 VAL HG23 H 1 0.80 . . 2 . . . . . . . . 5953 1 12 . 1 1 3 3 LYS H H 1 7.95 . . 1 . . . . . . . . 5953 1 13 . 1 1 3 3 LYS N N 15 125.41 . . 1 . . . . . . . . 5953 1 14 . 1 1 3 3 LYS CA C 13 54.83 . . 1 . . . . . . . . 5953 1 15 . 1 1 3 3 LYS C C 13 174.77 . . 1 . . . . . . . . 5953 1 16 . 1 1 3 3 LYS CB C 13 32.73 . . 1 . . . . . . . . 5953 1 17 . 1 1 4 4 PHE H H 1 8.40 . . 1 . . . . . . . . 5953 1 18 . 1 1 4 4 PHE N N 15 125.22 . . 1 . . . . . . . . 5953 1 19 . 1 1 4 4 PHE CA C 13 54.91 . . 1 . . . . . . . . 5953 1 20 . 1 1 4 4 PHE C C 13 173.66 . . 1 . . . . . . . . 5953 1 21 . 1 1 4 4 PHE CB C 13 38.45 . . 1 . . . . . . . . 5953 1 22 . 1 1 5 5 PRO CA C 13 62.15 . . 1 . . . . . . . . 5953 1 23 . 1 1 5 5 PRO C C 13 174.77 . . 1 . . . . . . . . 5953 1 24 . 1 1 5 5 PRO CB C 13 32.03 . . 1 . . . . . . . . 5953 1 25 . 1 1 6 6 GLN H H 1 8.77 . . 1 . . . . . . . . 5953 1 26 . 1 1 6 6 GLN N N 15 120.52 . . 1 . . . . . . . . 5953 1 27 . 1 1 6 6 GLN CA C 13 54.24 . . 1 . . . . . . . . 5953 1 28 . 1 1 6 6 GLN C C 13 173.46 . . 1 . . . . . . . . 5953 1 29 . 1 1 6 6 GLN CB C 13 31.91 . . 1 . . . . . . . . 5953 1 30 . 1 1 7 7 LEU H H 1 7.92 . . 1 . . . . . . . . 5953 1 31 . 1 1 7 7 LEU N N 15 116.30 . . 1 . . . . . . . . 5953 1 32 . 1 1 7 7 LEU CA C 13 52.32 . . 1 . . . . . . . . 5953 1 33 . 1 1 7 7 LEU C C 13 179.48 . . 1 . . . . . . . . 5953 1 34 . 1 1 7 7 LEU CB C 13 42.22 . . 1 . . . . . . . . 5953 1 35 . 1 1 7 7 LEU CD1 C 13 27.11 . . 2 . . . . . . . . 5953 1 36 . 1 1 7 7 LEU HD11 H 1 0.84 . . 2 . . . . . . . . 5953 1 37 . 1 1 7 7 LEU HD12 H 1 0.84 . . 2 . . . . . . . . 5953 1 38 . 1 1 7 7 LEU HD13 H 1 0.84 . . 2 . . . . . . . . 5953 1 39 . 1 1 7 7 LEU CD2 C 13 25.15 . . 2 . . . . . . . . 5953 1 40 . 1 1 7 7 LEU HD21 H 1 0.79 . . 2 . . . . . . . . 5953 1 41 . 1 1 7 7 LEU HD22 H 1 0.79 . . 2 . . . . . . . . 5953 1 42 . 1 1 7 7 LEU HD23 H 1 0.79 . . 2 . . . . . . . . 5953 1 43 . 1 1 8 8 CYS H H 1 9.19 . . 1 . . . . . . . . 5953 1 44 . 1 1 8 8 CYS N N 15 119.58 . . 1 . . . . . . . . 5953 1 45 . 1 1 8 8 CYS CA C 13 52.27 . . 1 . . . . . . . . 5953 1 46 . 1 1 8 8 CYS C C 13 175.65 . . 1 . . . . . . . . 5953 1 47 . 1 1 8 8 CYS CB C 13 42.75 . . 1 . . . . . . . . 5953 1 48 . 1 1 9 9 LYS H H 1 9.34 . . 1 . . . . . . . . 5953 1 49 . 1 1 9 9 LYS N N 15 120.45 . . 1 . . . . . . . . 5953 1 50 . 1 1 9 9 LYS CA C 13 54.30 . . 1 . . . . . . . . 5953 1 51 . 1 1 9 9 LYS C C 13 177.49 . . 1 . . . . . . . . 5953 1 52 . 1 1 9 9 LYS CB C 13 28.82 . . 1 . . . . . . . . 5953 1 53 . 1 1 10 10 PHE H H 1 8.12 . . 1 . . . . . . . . 5953 1 54 . 1 1 10 10 PHE N N 15 125.87 . . 1 . . . . . . . . 5953 1 55 . 1 1 10 10 PHE CA C 13 53.62 . . 1 . . . . . . . . 5953 1 56 . 1 1 10 10 PHE C C 13 174.24 . . 1 . . . . . . . . 5953 1 57 . 1 1 10 10 PHE CB C 13 38.72 . . 1 . . . . . . . . 5953 1 58 . 1 1 11 11 CYS H H 1 8.49 . . 1 . . . . . . . . 5953 1 59 . 1 1 11 11 CYS N N 15 118.57 . . 1 . . . . . . . . 5953 1 60 . 1 1 11 11 CYS CA C 13 60.48 . . 1 . . . . . . . . 5953 1 61 . 1 1 11 11 CYS C C 13 175.30 . . 1 . . . . . . . . 5953 1 62 . 1 1 11 11 CYS CB C 13 39.60 . . 1 . . . . . . . . 5953 1 63 . 1 1 12 12 ASP H H 1 9.41 . . 1 . . . . . . . . 5953 1 64 . 1 1 12 12 ASP N N 15 116.56 . . 1 . . . . . . . . 5953 1 65 . 1 1 12 12 ASP CA C 13 58.04 . . 1 . . . . . . . . 5953 1 66 . 1 1 12 12 ASP C C 13 174.95 . . 1 . . . . . . . . 5953 1 67 . 1 1 12 12 ASP CB C 13 39.27 . . 1 . . . . . . . . 5953 1 68 . 1 1 13 13 VAL H H 1 7.90 . . 1 . . . . . . . . 5953 1 69 . 1 1 13 13 VAL N N 15 121.14 . . 1 . . . . . . . . 5953 1 70 . 1 1 13 13 VAL CA C 13 64.10 . . 1 . . . . . . . . 5953 1 71 . 1 1 13 13 VAL C C 13 175.97 . . 1 . . . . . . . . 5953 1 72 . 1 1 13 13 VAL CB C 13 30.89 . . 1 . . . . . . . . 5953 1 73 . 1 1 13 13 VAL CG1 C 13 21.19 . . 2 . . . . . . . . 5953 1 74 . 1 1 13 13 VAL HG11 H 1 0.89 . . 2 . . . . . . . . 5953 1 75 . 1 1 13 13 VAL HG12 H 1 0.89 . . 2 . . . . . . . . 5953 1 76 . 1 1 13 13 VAL HG13 H 1 0.89 . . 2 . . . . . . . . 5953 1 77 . 1 1 13 13 VAL CG2 C 13 21.29 . . 2 . . . . . . . . 5953 1 78 . 1 1 13 13 VAL HG21 H 1 0.72 . . 2 . . . . . . . . 5953 1 79 . 1 1 13 13 VAL HG22 H 1 0.72 . . 2 . . . . . . . . 5953 1 80 . 1 1 13 13 VAL HG23 H 1 0.72 . . 2 . . . . . . . . 5953 1 81 . 1 1 14 14 ARG H H 1 8.63 . . 1 . . . . . . . . 5953 1 82 . 1 1 14 14 ARG N N 15 126.85 . . 1 . . . . . . . . 5953 1 83 . 1 1 14 14 ARG CA C 13 51.97 . . 1 . . . . . . . . 5953 1 84 . 1 1 14 14 ARG C C 13 176.02 . . 1 . . . . . . . . 5953 1 85 . 1 1 14 14 ARG CB C 13 33.38 . . 1 . . . . . . . . 5953 1 86 . 1 1 15 15 PHE H H 1 8.48 . . 1 . . . . . . . . 5953 1 87 . 1 1 15 15 PHE N N 15 120.02 . . 1 . . . . . . . . 5953 1 88 . 1 1 15 15 PHE CA C 13 58.77 . . 1 . . . . . . . . 5953 1 89 . 1 1 15 15 PHE C C 13 176.20 . . 1 . . . . . . . . 5953 1 90 . 1 1 15 15 PHE CB C 13 38.27 . . 1 . . . . . . . . 5953 1 91 . 1 1 16 16 SER H H 1 8.08 . . 1 . . . . . . . . 5953 1 92 . 1 1 16 16 SER N N 15 116.93 . . 1 . . . . . . . . 5953 1 93 . 1 1 16 16 SER CA C 13 55.87 . . 1 . . . . . . . . 5953 1 94 . 1 1 16 16 SER C C 13 173.28 . . 1 . . . . . . . . 5953 1 95 . 1 1 16 16 SER CB C 13 66.02 . . 1 . . . . . . . . 5953 1 96 . 1 1 17 17 THR H H 1 8.19 . . 1 . . . . . . . . 5953 1 97 . 1 1 17 17 THR N N 15 113.14 . . 1 . . . . . . . . 5953 1 98 . 1 1 17 17 THR CA C 13 60.45 . . 1 . . . . . . . . 5953 1 99 . 1 1 17 17 THR C C 13 175.05 . . 1 . . . . . . . . 5953 1 100 . 1 1 17 17 THR CB C 13 68.72 . . 1 . . . . . . . . 5953 1 101 . 1 1 18 18 CYS H H 1 8.49 . . 1 . . . . . . . . 5953 1 102 . 1 1 18 18 CYS N N 15 122.78 . . 1 . . . . . . . . 5953 1 103 . 1 1 18 18 CYS CA C 13 56.36 . . 1 . . . . . . . . 5953 1 104 . 1 1 18 18 CYS C C 13 173.21 . . 1 . . . . . . . . 5953 1 105 . 1 1 18 18 CYS CB C 13 39.91 . . 1 . . . . . . . . 5953 1 106 . 1 1 19 19 ASP H H 1 8.01 . . 1 . . . . . . . . 5953 1 107 . 1 1 19 19 ASP N N 15 125.89 . . 1 . . . . . . . . 5953 1 108 . 1 1 19 19 ASP CA C 13 53.11 . . 1 . . . . . . . . 5953 1 109 . 1 1 19 19 ASP C C 13 175.12 . . 1 . . . . . . . . 5953 1 110 . 1 1 19 19 ASP CB C 13 41.82 . . 1 . . . . . . . . 5953 1 111 . 1 1 20 20 ASN H H 1 7.85 . . 1 . . . . . . . . 5953 1 112 . 1 1 20 20 ASN N N 15 118.16 . . 1 . . . . . . . . 5953 1 113 . 1 1 20 20 ASN CA C 13 52.44 . . 1 . . . . . . . . 5953 1 114 . 1 1 20 20 ASN C C 13 173.72 . . 1 . . . . . . . . 5953 1 115 . 1 1 20 20 ASN CB C 13 36.14 . . 1 . . . . . . . . 5953 1 116 . 1 1 21 21 GLN H H 1 7.34 . . 1 . . . . . . . . 5953 1 117 . 1 1 21 21 GLN N N 15 114.63 . . 1 . . . . . . . . 5953 1 118 . 1 1 21 21 GLN CA C 13 54.37 . . 1 . . . . . . . . 5953 1 119 . 1 1 21 21 GLN C C 13 175.31 . . 1 . . . . . . . . 5953 1 120 . 1 1 21 21 GLN CB C 13 30.95 . . 1 . . . . . . . . 5953 1 121 . 1 1 22 22 LYS H H 1 8.38 . . 1 . . . . . . . . 5953 1 122 . 1 1 22 22 LYS N N 15 118.38 . . 1 . . . . . . . . 5953 1 123 . 1 1 22 22 LYS CA C 13 57.70 . . 1 . . . . . . . . 5953 1 124 . 1 1 22 22 LYS C C 13 175.65 . . 1 . . . . . . . . 5953 1 125 . 1 1 22 22 LYS CB C 13 31.43 . . 1 . . . . . . . . 5953 1 126 . 1 1 23 23 SER H H 1 7.68 . . 1 . . . . . . . . 5953 1 127 . 1 1 23 23 SER N N 15 112.48 . . 1 . . . . . . . . 5953 1 128 . 1 1 23 23 SER CA C 13 57.03 . . 1 . . . . . . . . 5953 1 129 . 1 1 23 23 SER C C 13 172.85 . . 1 . . . . . . . . 5953 1 130 . 1 1 23 23 SER CB C 13 64.58 . . 1 . . . . . . . . 5953 1 131 . 1 1 24 24 CYS H H 1 9.15 . . 1 . . . . . . . . 5953 1 132 . 1 1 24 24 CYS N N 15 118.99 . . 1 . . . . . . . . 5953 1 133 . 1 1 24 24 CYS CA C 13 53.38 . . 1 . . . . . . . . 5953 1 134 . 1 1 24 24 CYS C C 13 172.68 . . 1 . . . . . . . . 5953 1 135 . 1 1 24 24 CYS CB C 13 46.49 . . 1 . . . . . . . . 5953 1 136 . 1 1 25 25 MET H H 1 8.38 . . 1 . . . . . . . . 5953 1 137 . 1 1 25 25 MET N N 15 121.22 . . 1 . . . . . . . . 5953 1 138 . 1 1 25 25 MET CA C 13 52.82 . . 1 . . . . . . . . 5953 1 139 . 1 1 25 25 MET C C 13 178.77 . . 1 . . . . . . . . 5953 1 140 . 1 1 26 26 SER H H 1 9.13 . . 1 . . . . . . . . 5953 1 141 . 1 1 26 26 SER N N 15 116.47 . . 1 . . . . . . . . 5953 1 142 . 1 1 26 26 SER CA C 13 61.52 . . 1 . . . . . . . . 5953 1 143 . 1 1 26 26 SER C C 13 176.34 . . 1 . . . . . . . . 5953 1 144 . 1 1 26 26 SER CB C 13 62.87 . . 1 . . . . . . . . 5953 1 145 . 1 1 27 27 ASN H H 1 8.91 . . 1 . . . . . . . . 5953 1 146 . 1 1 27 27 ASN N N 15 118.20 . . 1 . . . . . . . . 5953 1 147 . 1 1 27 27 ASN CA C 13 54.21 . . 1 . . . . . . . . 5953 1 148 . 1 1 27 27 ASN C C 13 174.17 . . 1 . . . . . . . . 5953 1 149 . 1 1 27 27 ASN CB C 13 36.97 . . 1 . . . . . . . . 5953 1 150 . 1 1 28 28 CYS H H 1 8.09 . . 1 . . . . . . . . 5953 1 151 . 1 1 28 28 CYS N N 15 116.34 . . 1 . . . . . . . . 5953 1 152 . 1 1 28 28 CYS CA C 13 53.48 . . 1 . . . . . . . . 5953 1 153 . 1 1 29 29 SER H H 1 8.76 . . 1 . . . . . . . . 5953 1 154 . 1 1 29 29 SER N N 15 125.33 . . 1 . . . . . . . . 5953 1 155 . 1 1 29 29 SER CA C 13 58.90 . . 1 . . . . . . . . 5953 1 156 . 1 1 29 29 SER C C 13 173.21 . . 1 . . . . . . . . 5953 1 157 . 1 1 29 29 SER CB C 13 62.91 . . 1 . . . . . . . . 5953 1 158 . 1 1 30 30 ILE H H 1 7.31 . . 1 . . . . . . . . 5953 1 159 . 1 1 30 30 ILE N N 15 122.79 . . 1 . . . . . . . . 5953 1 160 . 1 1 30 30 ILE CA C 13 61.56 . . 1 . . . . . . . . 5953 1 161 . 1 1 30 30 ILE C C 13 175.11 . . 1 . . . . . . . . 5953 1 162 . 1 1 30 30 ILE CB C 13 37.70 . . 1 . . . . . . . . 5953 1 163 . 1 1 30 30 ILE CD1 C 13 14.71 . . 1 . . . . . . . . 5953 1 164 . 1 1 30 30 ILE HD11 H 1 0.63 . . 1 . . . . . . . . 5953 1 165 . 1 1 30 30 ILE HD12 H 1 0.63 . . 1 . . . . . . . . 5953 1 166 . 1 1 30 30 ILE HD13 H 1 0.63 . . 1 . . . . . . . . 5953 1 167 . 1 1 31 31 THR H H 1 9.02 . . 1 . . . . . . . . 5953 1 168 . 1 1 31 31 THR N N 15 126.53 . . 1 . . . . . . . . 5953 1 169 . 1 1 31 31 THR CA C 13 63.02 . . 1 . . . . . . . . 5953 1 170 . 1 1 31 31 THR C C 13 172.61 . . 1 . . . . . . . . 5953 1 171 . 1 1 31 31 THR CB C 13 68.27 . . 1 . . . . . . . . 5953 1 172 . 1 1 32 32 SER H H 1 9.20 . . 1 . . . . . . . . 5953 1 173 . 1 1 32 32 SER N N 15 123.62 . . 1 . . . . . . . . 5953 1 174 . 1 1 32 32 SER CA C 13 55.80 . . 1 . . . . . . . . 5953 1 175 . 1 1 32 32 SER C C 13 174.41 . . 1 . . . . . . . . 5953 1 176 . 1 1 32 32 SER CB C 13 65.26 . . 1 . . . . . . . . 5953 1 177 . 1 1 33 33 ILE H H 1 8.37 . . 1 . . . . . . . . 5953 1 178 . 1 1 33 33 ILE N N 15 125.93 . . 1 . . . . . . . . 5953 1 179 . 1 1 33 33 ILE CA C 13 60.93 . . 1 . . . . . . . . 5953 1 180 . 1 1 33 33 ILE C C 13 175.74 . . 1 . . . . . . . . 5953 1 181 . 1 1 33 33 ILE CB C 13 38.14 . . 1 . . . . . . . . 5953 1 182 . 1 1 33 33 ILE CD1 C 13 12.47 . . 1 . . . . . . . . 5953 1 183 . 1 1 33 33 ILE HD11 H 1 0.39 . . 1 . . . . . . . . 5953 1 184 . 1 1 33 33 ILE HD12 H 1 0.39 . . 1 . . . . . . . . 5953 1 185 . 1 1 33 33 ILE HD13 H 1 0.39 . . 1 . . . . . . . . 5953 1 186 . 1 1 34 34 CYS H H 1 8.66 . . 1 . . . . . . . . 5953 1 187 . 1 1 34 34 CYS N N 15 126.45 . . 1 . . . . . . . . 5953 1 188 . 1 1 34 34 CYS CA C 13 53.90 . . 1 . . . . . . . . 5953 1 189 . 1 1 34 34 CYS C C 13 174.25 . . 1 . . . . . . . . 5953 1 190 . 1 1 34 34 CYS CB C 13 36.20 . . 1 . . . . . . . . 5953 1 191 . 1 1 35 35 GLU H H 1 8.83 . . 1 . . . . . . . . 5953 1 192 . 1 1 35 35 GLU N N 15 117.20 . . 1 . . . . . . . . 5953 1 193 . 1 1 35 35 GLU CA C 13 58.59 . . 1 . . . . . . . . 5953 1 194 . 1 1 35 35 GLU C C 13 177.30 . . 1 . . . . . . . . 5953 1 195 . 1 1 35 35 GLU CB C 13 30.72 . . 1 . . . . . . . . 5953 1 196 . 1 1 36 36 LYS H H 1 7.73 . . 1 . . . . . . . . 5953 1 197 . 1 1 36 36 LYS N N 15 113.98 . . 1 . . . . . . . . 5953 1 198 . 1 1 36 36 LYS CA C 13 51.85 . . 1 . . . . . . . . 5953 1 199 . 1 1 36 36 LYS C C 13 176.29 . . 1 . . . . . . . . 5953 1 200 . 1 1 36 36 LYS CB C 13 32.63 . . 1 . . . . . . . . 5953 1 201 . 1 1 37 37 PRO CA C 13 64.67 . . 1 . . . . . . . . 5953 1 202 . 1 1 37 37 PRO C C 13 175.39 . . 1 . . . . . . . . 5953 1 203 . 1 1 37 37 PRO CB C 13 31.07 . . 1 . . . . . . . . 5953 1 204 . 1 1 38 38 GLN H H 1 8.57 . . 1 . . . . . . . . 5953 1 205 . 1 1 38 38 GLN N N 15 113.01 . . 1 . . . . . . . . 5953 1 206 . 1 1 38 38 GLN CA C 13 56.04 . . 1 . . . . . . . . 5953 1 207 . 1 1 38 38 GLN C C 13 176.43 . . 1 . . . . . . . . 5953 1 208 . 1 1 38 38 GLN CB C 13 26.82 . . 1 . . . . . . . . 5953 1 209 . 1 1 39 39 GLU H H 1 7.05 . . 1 . . . . . . . . 5953 1 210 . 1 1 39 39 GLU N N 15 116.72 . . 1 . . . . . . . . 5953 1 211 . 1 1 39 39 GLU CA C 13 57.40 . . 1 . . . . . . . . 5953 1 212 . 1 1 39 39 GLU C C 13 176.21 . . 1 . . . . . . . . 5953 1 213 . 1 1 39 39 GLU CB C 13 29.57 . . 1 . . . . . . . . 5953 1 214 . 1 1 40 40 VAL H H 1 8.62 . . 1 . . . . . . . . 5953 1 215 . 1 1 40 40 VAL N N 15 113.81 . . 1 . . . . . . . . 5953 1 216 . 1 1 40 40 VAL CA C 13 58.13 . . 1 . . . . . . . . 5953 1 217 . 1 1 40 40 VAL C C 13 174.25 . . 1 . . . . . . . . 5953 1 218 . 1 1 40 40 VAL CB C 13 31.89 . . 1 . . . . . . . . 5953 1 219 . 1 1 40 40 VAL CG1 C 13 17.54 . . 2 . . . . . . . . 5953 1 220 . 1 1 40 40 VAL HG11 H 1 0.84 . . 2 . . . . . . . . 5953 1 221 . 1 1 40 40 VAL HG12 H 1 0.84 . . 2 . . . . . . . . 5953 1 222 . 1 1 40 40 VAL HG13 H 1 0.84 . . 2 . . . . . . . . 5953 1 223 . 1 1 40 40 VAL CG2 C 13 21.32 . . 2 . . . . . . . . 5953 1 224 . 1 1 40 40 VAL HG21 H 1 0.93 . . 2 . . . . . . . . 5953 1 225 . 1 1 40 40 VAL HG22 H 1 0.93 . . 2 . . . . . . . . 5953 1 226 . 1 1 40 40 VAL HG23 H 1 0.93 . . 2 . . . . . . . . 5953 1 227 . 1 1 41 41 CYS H H 1 8.20 . . 1 . . . . . . . . 5953 1 228 . 1 1 41 41 CYS N N 15 114.41 . . 1 . . . . . . . . 5953 1 229 . 1 1 41 41 CYS CA C 13 52.52 . . 1 . . . . . . . . 5953 1 230 . 1 1 41 41 CYS C C 13 174.93 . . 1 . . . . . . . . 5953 1 231 . 1 1 41 41 CYS CB C 13 34.61 . . 1 . . . . . . . . 5953 1 232 . 1 1 42 42 VAL H H 1 8.44 . . 1 . . . . . . . . 5953 1 233 . 1 1 42 42 VAL N N 15 118.78 . . 1 . . . . . . . . 5953 1 234 . 1 1 42 42 VAL CA C 13 60.22 . . 1 . . . . . . . . 5953 1 235 . 1 1 42 42 VAL C C 13 176.48 . . 1 . . . . . . . . 5953 1 236 . 1 1 42 42 VAL CB C 13 35.34 . . 1 . . . . . . . . 5953 1 237 . 1 1 42 42 VAL CG1 C 13 21.52 . . 2 . . . . . . . . 5953 1 238 . 1 1 42 42 VAL HG11 H 1 0.58 . . 1 . . . . . . . . 5953 1 239 . 1 1 42 42 VAL HG12 H 1 0.58 . . 1 . . . . . . . . 5953 1 240 . 1 1 42 42 VAL HG13 H 1 0.58 . . 1 . . . . . . . . 5953 1 241 . 1 1 42 42 VAL CG2 C 13 23.88 . . 2 . . . . . . . . 5953 1 242 . 1 1 42 42 VAL HG21 H 1 0.58 . . 1 . . . . . . . . 5953 1 243 . 1 1 42 42 VAL HG22 H 1 0.58 . . 1 . . . . . . . . 5953 1 244 . 1 1 42 42 VAL HG23 H 1 0.58 . . 1 . . . . . . . . 5953 1 245 . 1 1 43 43 ALA CA C 13 50.55 . . 1 . . . . . . . . 5953 1 246 . 1 1 43 43 ALA C C 13 175.81 . . 1 . . . . . . . . 5953 1 247 . 1 1 44 44 VAL H H 1 8.97 . . 1 . . . . . . . . 5953 1 248 . 1 1 44 44 VAL N N 15 119.92 . . 1 . . . . . . . . 5953 1 249 . 1 1 44 44 VAL CA C 13 60.53 . . 1 . . . . . . . . 5953 1 250 . 1 1 44 44 VAL C C 13 174.98 . . 1 . . . . . . . . 5953 1 251 . 1 1 44 44 VAL CG1 C 13 22.27 . . 2 . . . . . . . . 5953 1 252 . 1 1 44 44 VAL HG11 H 1 0.59 . . 2 . . . . . . . . 5953 1 253 . 1 1 44 44 VAL HG12 H 1 0.59 . . 2 . . . . . . . . 5953 1 254 . 1 1 44 44 VAL HG13 H 1 0.59 . . 2 . . . . . . . . 5953 1 255 . 1 1 44 44 VAL CG2 C 13 21.18 . . 2 . . . . . . . . 5953 1 256 . 1 1 44 44 VAL HG21 H 1 0.76 . . 2 . . . . . . . . 5953 1 257 . 1 1 44 44 VAL HG22 H 1 0.76 . . 2 . . . . . . . . 5953 1 258 . 1 1 44 44 VAL HG23 H 1 0.76 . . 2 . . . . . . . . 5953 1 259 . 1 1 45 45 TRP H H 1 9.81 . . 1 . . . . . . . . 5953 1 260 . 1 1 45 45 TRP N N 15 134.03 . . 1 . . . . . . . . 5953 1 261 . 1 1 45 45 TRP CA C 13 56.69 . . 1 . . . . . . . . 5953 1 262 . 1 1 45 45 TRP C C 13 174.16 . . 1 . . . . . . . . 5953 1 263 . 1 1 45 45 TRP CB C 13 33.01 . . 1 . . . . . . . . 5953 1 264 . 1 1 46 46 ARG H H 1 8.26 . . 1 . . . . . . . . 5953 1 265 . 1 1 46 46 ARG N N 15 125.12 . . 1 . . . . . . . . 5953 1 266 . 1 1 46 46 ARG CA C 13 54.21 . . 1 . . . . . . . . 5953 1 267 . 1 1 46 46 ARG C C 13 173.20 . . 1 . . . . . . . . 5953 1 268 . 1 1 46 46 ARG CB C 13 34.09 . . 1 . . . . . . . . 5953 1 269 . 1 1 47 47 LYS H H 1 8.39 . . 1 . . . . . . . . 5953 1 270 . 1 1 47 47 LYS N N 15 121.84 . . 1 . . . . . . . . 5953 1 271 . 1 1 47 47 LYS CA C 13 54.55 . . 1 . . . . . . . . 5953 1 272 . 1 1 47 47 LYS C C 13 175.21 . . 1 . . . . . . . . 5953 1 273 . 1 1 47 47 LYS CB C 13 35.00 . . 1 . . . . . . . . 5953 1 274 . 1 1 48 48 ASN H H 1 8.32 . . 1 . . . . . . . . 5953 1 275 . 1 1 48 48 ASN N N 15 125.49 . . 1 . . . . . . . . 5953 1 276 . 1 1 48 48 ASN CA C 13 51.71 . . 1 . . . . . . . . 5953 1 277 . 1 1 48 48 ASN C C 13 174.33 . . 1 . . . . . . . . 5953 1 278 . 1 1 48 48 ASN CB C 13 39.41 . . 1 . . . . . . . . 5953 1 279 . 1 1 49 49 ASP H H 1 8.72 . . 1 . . . . . . . . 5953 1 280 . 1 1 49 49 ASP N N 15 121.04 . . 1 . . . . . . . . 5953 1 281 . 1 1 49 49 ASP CA C 13 56.49 . . 1 . . . . . . . . 5953 1 282 . 1 1 49 49 ASP C C 13 175.74 . . 1 . . . . . . . . 5953 1 283 . 1 1 49 49 ASP CB C 13 39.27 . . 1 . . . . . . . . 5953 1 284 . 1 1 50 50 GLU H H 1 8.40 . . 1 . . . . . . . . 5953 1 285 . 1 1 50 50 GLU N N 15 117.15 . . 1 . . . . . . . . 5953 1 286 . 1 1 50 50 GLU CA C 13 56.83 . . 1 . . . . . . . . 5953 1 287 . 1 1 50 50 GLU C C 13 175.99 . . 1 . . . . . . . . 5953 1 288 . 1 1 50 50 GLU CB C 13 29.77 . . 1 . . . . . . . . 5953 1 289 . 1 1 51 51 ASN H H 1 8.17 . . 1 . . . . . . . . 5953 1 290 . 1 1 51 51 ASN N N 15 117.19 . . 1 . . . . . . . . 5953 1 291 . 1 1 51 51 ASN CA C 13 52.86 . . 1 . . . . . . . . 5953 1 292 . 1 1 51 51 ASN C C 13 173.19 . . 1 . . . . . . . . 5953 1 293 . 1 1 51 51 ASN CB C 13 40.51 . . 1 . . . . . . . . 5953 1 294 . 1 1 52 52 ILE H H 1 8.19 . . 1 . . . . . . . . 5953 1 295 . 1 1 52 52 ILE N N 15 124.06 . . 1 . . . . . . . . 5953 1 296 . 1 1 52 52 ILE CA C 13 60.35 . . 1 . . . . . . . . 5953 1 297 . 1 1 52 52 ILE C C 13 176.51 . . 1 . . . . . . . . 5953 1 298 . 1 1 52 52 ILE CB C 13 38.66 . . 1 . . . . . . . . 5953 1 299 . 1 1 52 52 ILE CD1 C 13 13.85 . . 1 . . . . . . . . 5953 1 300 . 1 1 52 52 ILE HD11 H 1 0.82 . . 1 . . . . . . . . 5953 1 301 . 1 1 52 52 ILE HD12 H 1 0.82 . . 1 . . . . . . . . 5953 1 302 . 1 1 52 52 ILE HD13 H 1 0.82 . . 1 . . . . . . . . 5953 1 303 . 1 1 53 53 THR H H 1 8.64 . . 1 . . . . . . . . 5953 1 304 . 1 1 53 53 THR N N 15 115.50 . . 1 . . . . . . . . 5953 1 305 . 1 1 53 53 THR CA C 13 58.15 . . 1 . . . . . . . . 5953 1 306 . 1 1 53 53 THR C C 13 172.09 . . 1 . . . . . . . . 5953 1 307 . 1 1 53 53 THR CB C 13 72.38 . . 1 . . . . . . . . 5953 1 308 . 1 1 54 54 LEU H H 1 9.05 . . 1 . . . . . . . . 5953 1 309 . 1 1 54 54 LEU N N 15 120.39 . . 1 . . . . . . . . 5953 1 310 . 1 1 54 54 LEU CA C 13 52.79 . . 1 . . . . . . . . 5953 1 311 . 1 1 54 54 LEU C C 13 174.59 . . 1 . . . . . . . . 5953 1 312 . 1 1 54 54 LEU CB C 13 45.58 . . 1 . . . . . . . . 5953 1 313 . 1 1 54 54 LEU CD1 C 13 24.20 . . 2 . . . . . . . . 5953 1 314 . 1 1 54 54 LEU HD11 H 1 1.00 . . 2 . . . . . . . . 5953 1 315 . 1 1 54 54 LEU HD12 H 1 1.00 . . 2 . . . . . . . . 5953 1 316 . 1 1 54 54 LEU HD13 H 1 1.00 . . 2 . . . . . . . . 5953 1 317 . 1 1 54 54 LEU CD2 C 13 26.87 . . 2 . . . . . . . . 5953 1 318 . 1 1 54 54 LEU HD21 H 1 0.93 . . 2 . . . . . . . . 5953 1 319 . 1 1 54 54 LEU HD22 H 1 0.93 . . 2 . . . . . . . . 5953 1 320 . 1 1 54 54 LEU HD23 H 1 0.93 . . 2 . . . . . . . . 5953 1 321 . 1 1 55 55 GLU H H 1 9.64 . . 1 . . . . . . . . 5953 1 322 . 1 1 55 55 GLU N N 15 131.12 . . 1 . . . . . . . . 5953 1 323 . 1 1 55 55 GLU CA C 13 52.49 . . 1 . . . . . . . . 5953 1 324 . 1 1 55 55 GLU C C 13 176.07 . . 1 . . . . . . . . 5953 1 325 . 1 1 55 55 GLU CB C 13 31.91 . . 1 . . . . . . . . 5953 1 326 . 1 1 56 56 THR H H 1 7.93 . . 1 . . . . . . . . 5953 1 327 . 1 1 56 56 THR N N 15 115.77 . . 1 . . . . . . . . 5953 1 328 . 1 1 56 56 THR CA C 13 57.70 . . 1 . . . . . . . . 5953 1 329 . 1 1 56 56 THR C C 13 174.07 . . 1 . . . . . . . . 5953 1 330 . 1 1 56 56 THR CB C 13 70.36 . . 1 . . . . . . . . 5953 1 331 . 1 1 57 57 VAL H H 1 7.39 . . 1 . . . . . . . . 5953 1 332 . 1 1 57 57 VAL N N 15 112.04 . . 1 . . . . . . . . 5953 1 333 . 1 1 57 57 VAL CA C 13 58.73 . . 1 . . . . . . . . 5953 1 334 . 1 1 57 57 VAL C C 13 175.81 . . 1 . . . . . . . . 5953 1 335 . 1 1 57 57 VAL CB C 13 36.72 . . 1 . . . . . . . . 5953 1 336 . 1 1 57 57 VAL CG1 C 13 18.31 . . 2 . . . . . . . . 5953 1 337 . 1 1 57 57 VAL HG11 H 1 0.02 . . 2 . . . . . . . . 5953 1 338 . 1 1 57 57 VAL HG12 H 1 0.02 . . 2 . . . . . . . . 5953 1 339 . 1 1 57 57 VAL HG13 H 1 0.02 . . 2 . . . . . . . . 5953 1 340 . 1 1 57 57 VAL CG2 C 13 22.73 . . 2 . . . . . . . . 5953 1 341 . 1 1 57 57 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 5953 1 342 . 1 1 57 57 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 5953 1 343 . 1 1 57 57 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 5953 1 344 . 1 1 58 58 CYS CA C 13 57.02 . . 1 . . . . . . . . 5953 1 345 . 1 1 58 58 CYS C C 13 175.12 . . 1 . . . . . . . . 5953 1 346 . 1 1 58 58 CYS CB C 13 47.09 . . 1 . . . . . . . . 5953 1 347 . 1 1 59 59 HIS H H 1 9.31 . . 1 . . . . . . . . 5953 1 348 . 1 1 59 59 HIS N N 15 119.40 . . 1 . . . . . . . . 5953 1 349 . 1 1 59 59 HIS CA C 13 56.70 . . 1 . . . . . . . . 5953 1 350 . 1 1 59 59 HIS C C 13 173.29 . . 1 . . . . . . . . 5953 1 351 . 1 1 59 59 HIS CB C 13 34.57 . . 1 . . . . . . . . 5953 1 352 . 1 1 60 60 ASP H H 1 7.38 . . 1 . . . . . . . . 5953 1 353 . 1 1 60 60 ASP N N 15 128.65 . . 1 . . . . . . . . 5953 1 354 . 1 1 60 60 ASP CA C 13 50.62 . . 1 . . . . . . . . 5953 1 355 . 1 1 60 60 ASP CB C 13 40.70 . . 1 . . . . . . . . 5953 1 356 . 1 1 61 61 PRO CA C 13 63.75 . . 1 . . . . . . . . 5953 1 357 . 1 1 61 61 PRO C C 13 177.48 . . 1 . . . . . . . . 5953 1 358 . 1 1 61 61 PRO CB C 13 30.84 . . 1 . . . . . . . . 5953 1 359 . 1 1 62 62 LYS H H 1 8.35 . . 1 . . . . . . . . 5953 1 360 . 1 1 62 62 LYS N N 15 122.26 . . 1 . . . . . . . . 5953 1 361 . 1 1 62 62 LYS CA C 13 57.44 . . 1 . . . . . . . . 5953 1 362 . 1 1 62 62 LYS C C 13 176.56 . . 1 . . . . . . . . 5953 1 363 . 1 1 62 62 LYS CB C 13 31.04 . . 1 . . . . . . . . 5953 1 364 . 1 1 63 63 LEU H H 1 8.15 . . 1 . . . . . . . . 5953 1 365 . 1 1 63 63 LEU N N 15 120.32 . . 1 . . . . . . . . 5953 1 366 . 1 1 63 63 LEU CA C 13 51.28 . . 1 . . . . . . . . 5953 1 367 . 1 1 63 63 LEU C C 13 176.11 . . 1 . . . . . . . . 5953 1 368 . 1 1 63 63 LEU CB C 13 41.32 . . 1 . . . . . . . . 5953 1 369 . 1 1 63 63 LEU CD1 C 13 22.77 . . 2 . . . . . . . . 5953 1 370 . 1 1 63 63 LEU HD11 H 1 0.85 . . 2 . . . . . . . . 5953 1 371 . 1 1 63 63 LEU HD12 H 1 0.85 . . 2 . . . . . . . . 5953 1 372 . 1 1 63 63 LEU HD13 H 1 0.85 . . 2 . . . . . . . . 5953 1 373 . 1 1 63 63 LEU CD2 C 13 25.17 . . 2 . . . . . . . . 5953 1 374 . 1 1 63 63 LEU HD21 H 1 0.91 . . 2 . . . . . . . . 5953 1 375 . 1 1 63 63 LEU HD22 H 1 0.91 . . 2 . . . . . . . . 5953 1 376 . 1 1 63 63 LEU HD23 H 1 0.91 . . 2 . . . . . . . . 5953 1 377 . 1 1 64 64 PRO CA C 13 62.55 . . 1 . . . . . . . . 5953 1 378 . 1 1 64 64 PRO C C 13 175.35 . . 1 . . . . . . . . 5953 1 379 . 1 1 64 64 PRO CB C 13 31.27 . . 1 . . . . . . . . 5953 1 380 . 1 1 65 65 TYR H H 1 9.32 . . 1 . . . . . . . . 5953 1 381 . 1 1 65 65 TYR N N 15 123.27 . . 1 . . . . . . . . 5953 1 382 . 1 1 65 65 TYR CA C 13 58.84 . . 1 . . . . . . . . 5953 1 383 . 1 1 65 65 TYR C C 13 175.47 . . 1 . . . . . . . . 5953 1 384 . 1 1 65 65 TYR CB C 13 40.85 . . 1 . . . . . . . . 5953 1 385 . 1 1 66 66 HIS H H 1 8.22 . . 1 . . . . . . . . 5953 1 386 . 1 1 66 66 HIS N N 15 122.97 . . 1 . . . . . . . . 5953 1 387 . 1 1 66 66 HIS CA C 13 57.46 . . 1 . . . . . . . . 5953 1 388 . 1 1 66 66 HIS C C 13 174.06 . . 1 . . . . . . . . 5953 1 389 . 1 1 66 66 HIS CB C 13 27.47 . . 1 . . . . . . . . 5953 1 390 . 1 1 67 67 ASP H H 1 8.11 . . 1 . . . . . . . . 5953 1 391 . 1 1 67 67 ASP N N 15 105.33 . . 1 . . . . . . . . 5953 1 392 . 1 1 67 67 ASP CA C 13 56.10 . . 1 . . . . . . . . 5953 1 393 . 1 1 67 67 ASP C C 13 175.08 . . 1 . . . . . . . . 5953 1 394 . 1 1 67 67 ASP CB C 13 39.29 . . 1 . . . . . . . . 5953 1 395 . 1 1 68 68 PHE H H 1 7.85 . . 1 . . . . . . . . 5953 1 396 . 1 1 68 68 PHE N N 15 118.52 . . 1 . . . . . . . . 5953 1 397 . 1 1 68 68 PHE CA C 13 56.98 . . 1 . . . . . . . . 5953 1 398 . 1 1 68 68 PHE C C 13 174.77 . . 1 . . . . . . . . 5953 1 399 . 1 1 68 68 PHE CB C 13 41.12 . . 1 . . . . . . . . 5953 1 400 . 1 1 69 69 ILE H H 1 8.42 . . 1 . . . . . . . . 5953 1 401 . 1 1 69 69 ILE N N 15 120.58 . . 1 . . . . . . . . 5953 1 402 . 1 1 69 69 ILE CA C 13 58.94 . . 1 . . . . . . . . 5953 1 403 . 1 1 69 69 ILE C C 13 177.65 . . 1 . . . . . . . . 5953 1 404 . 1 1 69 69 ILE CB C 13 36.76 . . 1 . . . . . . . . 5953 1 405 . 1 1 69 69 ILE CD1 C 13 10.85 . . 1 . . . . . . . . 5953 1 406 . 1 1 69 69 ILE HD11 H 1 0.72 . . 1 . . . . . . . . 5953 1 407 . 1 1 69 69 ILE HD12 H 1 0.72 . . 1 . . . . . . . . 5953 1 408 . 1 1 69 69 ILE HD13 H 1 0.72 . . 1 . . . . . . . . 5953 1 409 . 1 1 70 70 LEU H H 1 9.59 . . 1 . . . . . . . . 5953 1 410 . 1 1 70 70 LEU N N 15 129.84 . . 1 . . . . . . . . 5953 1 411 . 1 1 70 70 LEU CA C 13 53.81 . . 1 . . . . . . . . 5953 1 412 . 1 1 70 70 LEU C C 13 176.96 . . 1 . . . . . . . . 5953 1 413 . 1 1 70 70 LEU CB C 13 38.13 . . 1 . . . . . . . . 5953 1 414 . 1 1 70 70 LEU CD1 C 13 23.18 . . 2 . . . . . . . . 5953 1 415 . 1 1 70 70 LEU HD11 H 1 0.93 . . 2 . . . . . . . . 5953 1 416 . 1 1 70 70 LEU HD12 H 1 0.93 . . 2 . . . . . . . . 5953 1 417 . 1 1 70 70 LEU HD13 H 1 0.93 . . 2 . . . . . . . . 5953 1 418 . 1 1 70 70 LEU CD2 C 13 26.14 . . 2 . . . . . . . . 5953 1 419 . 1 1 70 70 LEU HD21 H 1 0.92 . . 2 . . . . . . . . 5953 1 420 . 1 1 70 70 LEU HD22 H 1 0.92 . . 2 . . . . . . . . 5953 1 421 . 1 1 70 70 LEU HD23 H 1 0.92 . . 2 . . . . . . . . 5953 1 422 . 1 1 71 71 GLU H H 1 8.38 . . 1 . . . . . . . . 5953 1 423 . 1 1 71 71 GLU N N 15 123.27 . . 1 . . . . . . . . 5953 1 424 . 1 1 71 71 GLU CA C 13 56.89 . . 1 . . . . . . . . 5953 1 425 . 1 1 71 71 GLU C C 13 176.51 . . 1 . . . . . . . . 5953 1 426 . 1 1 71 71 GLU CB C 13 29.74 . . 1 . . . . . . . . 5953 1 427 . 1 1 72 72 ASP H H 1 9.32 . . 1 . . . . . . . . 5953 1 428 . 1 1 72 72 ASP N N 15 117.63 . . 1 . . . . . . . . 5953 1 429 . 1 1 72 72 ASP CA C 13 52.62 . . 1 . . . . . . . . 5953 1 430 . 1 1 72 72 ASP C C 13 175.21 . . 1 . . . . . . . . 5953 1 431 . 1 1 72 72 ASP CB C 13 39.27 . . 1 . . . . . . . . 5953 1 432 . 1 1 73 73 ALA H H 1 6.96 . . 1 . . . . . . . . 5953 1 433 . 1 1 73 73 ALA N N 15 119.76 . . 1 . . . . . . . . 5953 1 434 . 1 1 73 73 ALA CA C 13 54.90 . . 1 . . . . . . . . 5953 1 435 . 1 1 73 73 ALA C C 13 177.66 . . 1 . . . . . . . . 5953 1 436 . 1 1 73 73 ALA CB C 13 18.63 . . 1 . . . . . . . . 5953 1 437 . 1 1 74 74 ALA H H 1 8.09 . . 1 . . . . . . . . 5953 1 438 . 1 1 74 74 ALA N N 15 116.39 . . 1 . . . . . . . . 5953 1 439 . 1 1 74 74 ALA CA C 13 52.16 . . 1 . . . . . . . . 5953 1 440 . 1 1 74 74 ALA C C 13 178.35 . . 1 . . . . . . . . 5953 1 441 . 1 1 74 74 ALA CB C 13 17.96 . . 1 . . . . . . . . 5953 1 442 . 1 1 75 75 SER H H 1 8.38 . . 1 . . . . . . . . 5953 1 443 . 1 1 75 75 SER N N 15 116.43 . . 1 . . . . . . . . 5953 1 444 . 1 1 75 75 SER CA C 13 56.17 . . 1 . . . . . . . . 5953 1 445 . 1 1 75 75 SER C C 13 174.70 . . 1 . . . . . . . . 5953 1 446 . 1 1 75 75 SER CB C 13 64.40 . . 1 . . . . . . . . 5953 1 447 . 1 1 76 76 PRO CA C 13 64.13 . . 1 . . . . . . . . 5953 1 448 . 1 1 76 76 PRO C C 13 176.87 . . 1 . . . . . . . . 5953 1 449 . 1 1 76 76 PRO CB C 13 31.24 . . 1 . . . . . . . . 5953 1 450 . 1 1 77 77 LYS H H 1 7.38 . . 1 . . . . . . . . 5953 1 451 . 1 1 77 77 LYS N N 15 114.83 . . 1 . . . . . . . . 5953 1 452 . 1 1 77 77 LYS CA C 13 53.67 . . 1 . . . . . . . . 5953 1 453 . 1 1 77 77 LYS C C 13 174.34 . . 1 . . . . . . . . 5953 1 454 . 1 1 77 77 LYS CB C 13 35.08 . . 1 . . . . . . . . 5953 1 455 . 1 1 81 81 LYS CA C 13 54.02 . . 1 . . . . . . . . 5953 1 456 . 1 1 81 81 LYS C C 13 175.47 . . 1 . . . . . . . . 5953 1 457 . 1 1 81 81 LYS CB C 13 33.65 . . 1 . . . . . . . . 5953 1 458 . 1 1 82 82 GLU H H 1 8.54 . . 1 . . . . . . . . 5953 1 459 . 1 1 82 82 GLU N N 15 124.86 . . 1 . . . . . . . . 5953 1 460 . 1 1 82 82 GLU CA C 13 56.44 . . 1 . . . . . . . . 5953 1 461 . 1 1 82 82 GLU C C 13 175.91 . . 1 . . . . . . . . 5953 1 462 . 1 1 82 82 GLU CB C 13 29.27 . . 1 . . . . . . . . 5953 1 463 . 1 1 83 83 LYS H H 1 8.59 . . 1 . . . . . . . . 5953 1 464 . 1 1 83 83 LYS N N 15 126.00 . . 1 . . . . . . . . 5953 1 465 . 1 1 83 83 LYS CA C 13 51.87 . . 1 . . . . . . . . 5953 1 466 . 1 1 83 83 LYS C C 13 174.90 . . 1 . . . . . . . . 5953 1 467 . 1 1 83 83 LYS CB C 13 31.53 . . 1 . . . . . . . . 5953 1 468 . 1 1 84 84 LYS H H 1 8.06 . . 1 . . . . . . . . 5953 1 469 . 1 1 84 84 LYS N N 15 120.77 . . 1 . . . . . . . . 5953 1 470 . 1 1 84 84 LYS CA C 13 55.53 . . 1 . . . . . . . . 5953 1 471 . 1 1 84 84 LYS C C 13 175.38 . . 1 . . . . . . . . 5953 1 472 . 1 1 84 84 LYS CB C 13 32.30 . . 1 . . . . . . . . 5953 1 473 . 1 1 85 85 LYS H H 1 8.84 . . 1 . . . . . . . . 5953 1 474 . 1 1 85 85 LYS N N 15 126.08 . . 1 . . . . . . . . 5953 1 475 . 1 1 85 85 LYS CA C 13 52.92 . . 1 . . . . . . . . 5953 1 476 . 1 1 85 85 LYS C C 13 173.47 . . 1 . . . . . . . . 5953 1 477 . 1 1 85 85 LYS CB C 13 33.74 . . 1 . . . . . . . . 5953 1 478 . 1 1 86 86 PRO CA C 13 64.27 . . 1 . . . . . . . . 5953 1 479 . 1 1 87 87 GLY H H 1 8.64 . . 1 . . . . . . . . 5953 1 480 . 1 1 87 87 GLY N N 15 111.27 . . 1 . . . . . . . . 5953 1 481 . 1 1 87 87 GLY CA C 13 45.41 . . 1 . . . . . . . . 5953 1 482 . 1 1 87 87 GLY C C 13 173.72 . . 1 . . . . . . . . 5953 1 483 . 1 1 88 88 GLU H H 1 7.93 . . 1 . . . . . . . . 5953 1 484 . 1 1 88 88 GLU N N 15 118.05 . . 1 . . . . . . . . 5953 1 485 . 1 1 88 88 GLU CA C 13 55.42 . . 1 . . . . . . . . 5953 1 486 . 1 1 88 88 GLU C C 13 174.25 . . 1 . . . . . . . . 5953 1 487 . 1 1 88 88 GLU CB C 13 32.51 . . 1 . . . . . . . . 5953 1 488 . 1 1 89 89 THR H H 1 8.55 . . 1 . . . . . . . . 5953 1 489 . 1 1 89 89 THR N N 15 118.13 . . 1 . . . . . . . . 5953 1 490 . 1 1 89 89 THR CA C 13 62.05 . . 1 . . . . . . . . 5953 1 491 . 1 1 89 89 THR C C 13 173.20 . . 1 . . . . . . . . 5953 1 492 . 1 1 89 89 THR CB C 13 69.72 . . 1 . . . . . . . . 5953 1 493 . 1 1 90 90 PHE H H 1 9.17 . . 1 . . . . . . . . 5953 1 494 . 1 1 90 90 PHE N N 15 127.48 . . 1 . . . . . . . . 5953 1 495 . 1 1 90 90 PHE CA C 13 56.45 . . 1 . . . . . . . . 5953 1 496 . 1 1 90 90 PHE C C 13 172.49 . . 1 . . . . . . . . 5953 1 497 . 1 1 90 90 PHE CB C 13 41.38 . . 1 . . . . . . . . 5953 1 498 . 1 1 91 91 PHE H H 1 9.61 . . 1 . . . . . . . . 5953 1 499 . 1 1 91 91 PHE N N 15 123.96 . . 1 . . . . . . . . 5953 1 500 . 1 1 91 91 PHE CA C 13 56.00 . . 1 . . . . . . . . 5953 1 501 . 1 1 91 91 PHE CB C 13 43.18 . . 1 . . . . . . . . 5953 1 502 . 1 1 94 94 SER CA C 13 57.30 . . 1 . . . . . . . . 5953 1 503 . 1 1 94 94 SER C C 13 171.54 . . 1 . . . . . . . . 5953 1 504 . 1 1 95 95 CYS H H 1 8.69 . . 1 . . . . . . . . 5953 1 505 . 1 1 95 95 CYS N N 15 109.95 . . 1 . . . . . . . . 5953 1 506 . 1 1 95 95 CYS CA C 13 54.42 . . 1 . . . . . . . . 5953 1 507 . 1 1 95 95 CYS C C 13 174.56 . . 1 . . . . . . . . 5953 1 508 . 1 1 96 96 SER H H 1 8.65 . . 1 . . . . . . . . 5953 1 509 . 1 1 96 96 SER N N 15 112.80 . . 1 . . . . . . . . 5953 1 510 . 1 1 96 96 SER CA C 13 56.38 . . 1 . . . . . . . . 5953 1 511 . 1 1 96 96 SER C C 13 174.42 . . 1 . . . . . . . . 5953 1 512 . 1 1 96 96 SER CB C 13 62.74 . . 1 . . . . . . . . 5953 1 513 . 1 1 97 97 SER H H 1 7.46 . . 1 . . . . . . . . 5953 1 514 . 1 1 97 97 SER N N 15 114.33 . . 1 . . . . . . . . 5953 1 515 . 1 1 97 97 SER CA C 13 57.60 . . 1 . . . . . . . . 5953 1 516 . 1 1 97 97 SER C C 13 174.65 . . 1 . . . . . . . . 5953 1 517 . 1 1 97 97 SER CB C 13 65.66 . . 1 . . . . . . . . 5953 1 518 . 1 1 98 98 ASP H H 1 8.83 . . 1 . . . . . . . . 5953 1 519 . 1 1 98 98 ASP N N 15 123.33 . . 1 . . . . . . . . 5953 1 520 . 1 1 98 98 ASP CA C 13 56.09 . . 1 . . . . . . . . 5953 1 521 . 1 1 98 98 ASP C C 13 178.18 . . 1 . . . . . . . . 5953 1 522 . 1 1 98 98 ASP CB C 13 40.00 . . 1 . . . . . . . . 5953 1 523 . 1 1 99 99 GLU H H 1 9.48 . . 1 . . . . . . . . 5953 1 524 . 1 1 99 99 GLU N N 15 112.94 . . 1 . . . . . . . . 5953 1 525 . 1 1 99 99 GLU CA C 13 57.74 . . 1 . . . . . . . . 5953 1 526 . 1 1 99 99 GLU C C 13 177.23 . . 1 . . . . . . . . 5953 1 527 . 1 1 99 99 GLU CB C 13 27.82 . . 1 . . . . . . . . 5953 1 528 . 1 1 100 100 CYS H H 1 8.20 . . 1 . . . . . . . . 5953 1 529 . 1 1 100 100 CYS N N 15 117.18 . . 1 . . . . . . . . 5953 1 530 . 1 1 100 100 CYS CA C 13 59.06 . . 1 . . . . . . . . 5953 1 531 . 1 1 100 100 CYS CB C 13 46.28 . . 1 . . . . . . . . 5953 1 532 . 1 1 101 101 ASN H H 1 7.99 . . 1 . . . . . . . . 5953 1 533 . 1 1 101 101 ASN N N 15 116.22 . . 1 . . . . . . . . 5953 1 534 . 1 1 101 101 ASN CA C 13 52.19 . . 1 . . . . . . . . 5953 1 535 . 1 1 101 101 ASN C C 13 170.93 . . 1 . . . . . . . . 5953 1 536 . 1 1 101 101 ASN CB C 13 35.49 . . 1 . . . . . . . . 5953 1 537 . 1 1 102 102 ASP H H 1 7.48 . . 1 . . . . . . . . 5953 1 538 . 1 1 102 102 ASP N N 15 111.14 . . 1 . . . . . . . . 5953 1 539 . 1 1 102 102 ASP CA C 13 54.55 . . 1 . . . . . . . . 5953 1 540 . 1 1 102 102 ASP C C 13 174.88 . . 1 . . . . . . . . 5953 1 541 . 1 1 102 102 ASP CB C 13 43.14 . . 1 . . . . . . . . 5953 1 542 . 1 1 103 103 ASN H H 1 7.08 . . 1 . . . . . . . . 5953 1 543 . 1 1 103 103 ASN N N 15 114.81 . . 1 . . . . . . . . 5953 1 544 . 1 1 103 103 ASN CA C 13 51.49 . . 1 . . . . . . . . 5953 1 545 . 1 1 103 103 ASN CB C 13 38.79 . . 1 . . . . . . . . 5953 1 546 . 1 1 104 104 ILE CD1 C 13 14.03 . . 1 . . . . . . . . 5953 1 547 . 1 1 104 104 ILE HD11 H 1 0.53 . . 1 . . . . . . . . 5953 1 548 . 1 1 104 104 ILE HD12 H 1 0.53 . . 1 . . . . . . . . 5953 1 549 . 1 1 104 104 ILE HD13 H 1 0.53 . . 1 . . . . . . . . 5953 1 550 . 1 1 105 105 ILE CA C 13 60.53 . . 1 . . . . . . . . 5953 1 551 . 1 1 105 105 ILE C C 13 175.00 . . 1 . . . . . . . . 5953 1 552 . 1 1 105 105 ILE CB C 13 38.60 . . 1 . . . . . . . . 5953 1 553 . 1 1 105 105 ILE CD1 C 13 13.44 . . 1 . . . . . . . . 5953 1 554 . 1 1 105 105 ILE HD11 H 1 0.65 . . 1 . . . . . . . . 5953 1 555 . 1 1 105 105 ILE HD12 H 1 0.65 . . 1 . . . . . . . . 5953 1 556 . 1 1 105 105 ILE HD13 H 1 0.65 . . 1 . . . . . . . . 5953 1 557 . 1 1 106 106 PHE H H 1 8.59 . . 1 . . . . . . . . 5953 1 558 . 1 1 106 106 PHE N N 15 124.22 . . 1 . . . . . . . . 5953 1 559 . 1 1 106 106 PHE CA C 13 58.40 . . 1 . . . . . . . . 5953 1 560 . 1 1 106 106 PHE C C 13 176.16 . . 1 . . . . . . . . 5953 1 561 . 1 1 106 106 PHE CB C 13 39.00 . . 1 . . . . . . . . 5953 1 562 . 1 1 107 107 SER H H 1 8.11 . . 1 . . . . . . . . 5953 1 563 . 1 1 107 107 SER N N 15 114.14 . . 1 . . . . . . . . 5953 1 564 . 1 1 107 107 SER CA C 13 57.35 . . 1 . . . . . . . . 5953 1 565 . 1 1 107 107 SER C C 13 173.73 . . 1 . . . . . . . . 5953 1 566 . 1 1 107 107 SER CB C 13 63.79 . . 1 . . . . . . . . 5953 1 567 . 1 1 108 108 GLU H H 1 8.59 . . 1 . . . . . . . . 5953 1 568 . 1 1 108 108 GLU N N 15 123.75 . . 1 . . . . . . . . 5953 1 569 . 1 1 108 108 GLU CA C 13 56.45 . . 1 . . . . . . . . 5953 1 570 . 1 1 108 108 GLU C C 13 176.18 . . 1 . . . . . . . . 5953 1 571 . 1 1 108 108 GLU CB C 13 29.86 . . 1 . . . . . . . . 5953 1 572 . 1 1 109 109 GLU H H 1 8.29 . . 1 . . . . . . . . 5953 1 573 . 1 1 109 109 GLU N N 15 121.10 . . 1 . . . . . . . . 5953 1 574 . 1 1 109 109 GLU CA C 13 56.32 . . 1 . . . . . . . . 5953 1 575 . 1 1 109 109 GLU C C 13 176.08 . . 1 . . . . . . . . 5953 1 576 . 1 1 109 109 GLU CB C 13 29.49 . . 1 . . . . . . . . 5953 1 577 . 1 1 110 110 TYR H H 1 8.01 . . 1 . . . . . . . . 5953 1 578 . 1 1 110 110 TYR N N 15 120.42 . . 1 . . . . . . . . 5953 1 579 . 1 1 110 110 TYR CA C 13 57.45 . . 1 . . . . . . . . 5953 1 580 . 1 1 110 110 TYR CB C 13 37.96 . . 1 . . . . . . . . 5953 1 581 . 1 1 111 111 ASN H H 1 8.15 . . 1 . . . . . . . . 5953 1 582 . 1 1 111 111 ASN N N 15 120.32 . . 1 . . . . . . . . 5953 1 583 . 1 1 111 111 ASN CA C 13 51.28 . . 1 . . . . . . . . 5953 1 584 . 1 1 115 115 PRO CA C 13 63.34 . . 1 . . . . . . . . 5953 1 585 . 1 1 115 115 PRO C C 13 176.70 . . 1 . . . . . . . . 5953 1 586 . 1 1 115 115 PRO CB C 13 31.13 . . 1 . . . . . . . . 5953 1 587 . 1 1 116 116 GLU H H 1 8.15 . . 1 . . . . . . . . 5953 1 588 . 1 1 116 116 GLU N N 15 118.81 . . 1 . . . . . . . . 5953 1 589 . 1 1 116 116 GLU CA C 13 54.08 . . 1 . . . . . . . . 5953 1 590 . 1 1 116 116 GLU CB C 13 40.39 . . 1 . . . . . . . . 5953 1 stop_ save_