data_30659 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30659 _Entry.Title ; Solution structure of paxillin LIM4 in complex with kindlin-2 F0 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-08-26 _Entry.Accession_date 2019-08-26 _Entry.Last_release_date 2019-09-13 _Entry.Original_release_date 2019-09-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30659 stop_ 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.ORCID _Entry_author.Entry_ID 1 L. Zhu L. . . . 30659 2 J. Qin J. . . . 30659 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CELL ADHESION' . 30659 Complex . 30659 'LIM domain' . 30659 'Ubiquitin fold' . 30659 'Zinc finger' . 30659 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30659 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 506 30659 '15N chemical shifts' 150 30659 '1H chemical shifts' 985 30659 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 . . 2019-10-16 . original BMRB . 30659 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6U4N . 30659 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30659 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31590942 _Citation.Full_citation . _Citation.Title ; Structural Basis of Paxillin Recruitment by Kindlin-2 in Regulating Cell Adhesion ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2019 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Liang Zhu L. . . . 30659 1 2 Huan Liu H. . . . 30659 1 3 Fan Lu F. . . . 30659 1 4 Jun Yang J. . . . 30659 1 5 Tatiana Byzova T. V. . . 30659 1 6 Jun Qin J. . . . 30659 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30659 _Assembly.ID 1 _Assembly.Name 'Fermitin family homolog 2, Paxillin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30659 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30659 1 3 'entity_3, 1' 3 $entity_ZN C B no . . . . . . 30659 1 4 'entity_3, 2' 3 $entity_ZN D B no . . . . . . 30659 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 2 . 2 CYS 16 16 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . . . 30659 1 2 coordination single . 2 . 2 CYS 19 19 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . . . 30659 1 3 coordination single . 2 . 2 HIS 36 36 ND1 . 3 . 3 ZN 1 1 ZN . . . . . . . . . . . . 30659 1 4 coordination single . 2 . 2 HIS 39 39 ND1 . 3 . 3 ZN 1 1 ZN . . . . . . . . . . . . 30659 1 5 coordination single . 2 . 2 CYS 42 42 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . . . 30659 1 6 coordination single . 2 . 2 CYS 45 45 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . . . 30659 1 7 coordination single . 2 . 2 CYS 63 63 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . . . 30659 1 8 coordination single . 2 . 2 CYS 66 66 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . . . 30659 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30659 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMDPEFMALDGIRMPDGCY ADGTWELSVHVTDLNRDVTL RVTGEVHIGGVMLKLVEKLD VKKDWSDHALWWEKKRTWLL KTHWTLDKYGIQADAKLQFT PQHKLLRLQLPN ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13002.017 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Kindlin-2 na 30659 1 MIG-2 na 30659 1 'Mitogen-inducible gene 2 protein' na 30659 1 'PH domain-containing family C member 1' na 30659 1 'Pleckstrin homology domain-containing family C member 1' na 30659 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 -6 GLY . 30659 1 2 -5 ALA . 30659 1 3 -4 MET . 30659 1 4 -3 ASP . 30659 1 5 -2 PRO . 30659 1 6 -1 GLU . 30659 1 7 0 PHE . 30659 1 8 1 MET . 30659 1 9 2 ALA . 30659 1 10 3 LEU . 30659 1 11 4 ASP . 30659 1 12 5 GLY . 30659 1 13 6 ILE . 30659 1 14 7 ARG . 30659 1 15 8 MET . 30659 1 16 9 PRO . 30659 1 17 10 ASP . 30659 1 18 11 GLY . 30659 1 19 12 CYS . 30659 1 20 13 TYR . 30659 1 21 14 ALA . 30659 1 22 15 ASP . 30659 1 23 16 GLY . 30659 1 24 17 THR . 30659 1 25 18 TRP . 30659 1 26 19 GLU . 30659 1 27 20 LEU . 30659 1 28 21 SER . 30659 1 29 22 VAL . 30659 1 30 23 HIS . 30659 1 31 24 VAL . 30659 1 32 25 THR . 30659 1 33 26 ASP . 30659 1 34 27 LEU . 30659 1 35 28 ASN . 30659 1 36 29 ARG . 30659 1 37 30 ASP . 30659 1 38 31 VAL . 30659 1 39 32 THR . 30659 1 40 33 LEU . 30659 1 41 34 ARG . 30659 1 42 35 VAL . 30659 1 43 36 THR . 30659 1 44 37 GLY . 30659 1 45 38 GLU . 30659 1 46 39 VAL . 30659 1 47 40 HIS . 30659 1 48 41 ILE . 30659 1 49 42 GLY . 30659 1 50 43 GLY . 30659 1 51 44 VAL . 30659 1 52 45 MET . 30659 1 53 46 LEU . 30659 1 54 47 LYS . 30659 1 55 48 LEU . 30659 1 56 49 VAL . 30659 1 57 50 GLU . 30659 1 58 51 LYS . 30659 1 59 52 LEU . 30659 1 60 53 ASP . 30659 1 61 54 VAL . 30659 1 62 55 LYS . 30659 1 63 56 LYS . 30659 1 64 57 ASP . 30659 1 65 58 TRP . 30659 1 66 59 SER . 30659 1 67 60 ASP . 30659 1 68 61 HIS . 30659 1 69 62 ALA . 30659 1 70 63 LEU . 30659 1 71 64 TRP . 30659 1 72 65 TRP . 30659 1 73 66 GLU . 30659 1 74 67 LYS . 30659 1 75 68 LYS . 30659 1 76 69 ARG . 30659 1 77 70 THR . 30659 1 78 71 TRP . 30659 1 79 72 LEU . 30659 1 80 73 LEU . 30659 1 81 74 LYS . 30659 1 82 75 THR . 30659 1 83 76 HIS . 30659 1 84 77 TRP . 30659 1 85 78 THR . 30659 1 86 79 LEU . 30659 1 87 80 ASP . 30659 1 88 81 LYS . 30659 1 89 82 TYR . 30659 1 90 83 GLY . 30659 1 91 84 ILE . 30659 1 92 85 GLN . 30659 1 93 86 ALA . 30659 1 94 87 ASP . 30659 1 95 88 ALA . 30659 1 96 89 LYS . 30659 1 97 90 LEU . 30659 1 98 91 GLN . 30659 1 99 92 PHE . 30659 1 100 93 THR . 30659 1 101 94 PRO . 30659 1 102 95 GLN . 30659 1 103 96 HIS . 30659 1 104 97 LYS . 30659 1 105 98 LEU . 30659 1 106 99 LEU . 30659 1 107 100 ARG . 30659 1 108 101 LEU . 30659 1 109 102 GLN . 30659 1 110 103 LEU . 30659 1 111 104 PRO . 30659 1 112 105 ASN . 30659 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 . GLY 1 1 30659 1 . ALA 2 2 30659 1 . MET 3 3 30659 1 . ASP 4 4 30659 1 . PRO 5 5 30659 1 . GLU 6 6 30659 1 . PHE 7 7 30659 1 . MET 8 8 30659 1 . ALA 9 9 30659 1 . LEU 10 10 30659 1 . ASP 11 11 30659 1 . GLY 12 12 30659 1 . ILE 13 13 30659 1 . ARG 14 14 30659 1 . MET 15 15 30659 1 . PRO 16 16 30659 1 . ASP 17 17 30659 1 . GLY 18 18 30659 1 . CYS 19 19 30659 1 . TYR 20 20 30659 1 . ALA 21 21 30659 1 . ASP 22 22 30659 1 . GLY 23 23 30659 1 . THR 24 24 30659 1 . TRP 25 25 30659 1 . GLU 26 26 30659 1 . LEU 27 27 30659 1 . SER 28 28 30659 1 . VAL 29 29 30659 1 . HIS 30 30 30659 1 . VAL 31 31 30659 1 . THR 32 32 30659 1 . ASP 33 33 30659 1 . LEU 34 34 30659 1 . ASN 35 35 30659 1 . ARG 36 36 30659 1 . ASP 37 37 30659 1 . VAL 38 38 30659 1 . THR 39 39 30659 1 . LEU 40 40 30659 1 . ARG 41 41 30659 1 . VAL 42 42 30659 1 . THR 43 43 30659 1 . GLY 44 44 30659 1 . GLU 45 45 30659 1 . VAL 46 46 30659 1 . HIS 47 47 30659 1 . ILE 48 48 30659 1 . GLY 49 49 30659 1 . GLY 50 50 30659 1 . VAL 51 51 30659 1 . MET 52 52 30659 1 . LEU 53 53 30659 1 . LYS 54 54 30659 1 . LEU 55 55 30659 1 . VAL 56 56 30659 1 . GLU 57 57 30659 1 . LYS 58 58 30659 1 . LEU 59 59 30659 1 . ASP 60 60 30659 1 . VAL 61 61 30659 1 . LYS 62 62 30659 1 . LYS 63 63 30659 1 . ASP 64 64 30659 1 . TRP 65 65 30659 1 . SER 66 66 30659 1 . ASP 67 67 30659 1 . HIS 68 68 30659 1 . ALA 69 69 30659 1 . LEU 70 70 30659 1 . TRP 71 71 30659 1 . TRP 72 72 30659 1 . GLU 73 73 30659 1 . LYS 74 74 30659 1 . LYS 75 75 30659 1 . ARG 76 76 30659 1 . THR 77 77 30659 1 . TRP 78 78 30659 1 . LEU 79 79 30659 1 . LEU 80 80 30659 1 . LYS 81 81 30659 1 . THR 82 82 30659 1 . HIS 83 83 30659 1 . TRP 84 84 30659 1 . THR 85 85 30659 1 . LEU 86 86 30659 1 . ASP 87 87 30659 1 . LYS 88 88 30659 1 . TYR 89 89 30659 1 . GLY 90 90 30659 1 . ILE 91 91 30659 1 . GLN 92 92 30659 1 . ALA 93 93 30659 1 . ASP 94 94 30659 1 . ALA 95 95 30659 1 . LYS 96 96 30659 1 . LEU 97 97 30659 1 . GLN 98 98 30659 1 . PHE 99 99 30659 1 . THR 100 100 30659 1 . PRO 101 101 30659 1 . GLN 102 102 30659 1 . HIS 103 103 30659 1 . LYS 104 104 30659 1 . LEU 105 105 30659 1 . LEU 106 106 30659 1 . ARG 107 107 30659 1 . LEU 108 108 30659 1 . GLN 109 109 30659 1 . LEU 110 110 30659 1 . PRO 111 111 30659 1 . ASN 112 112 30659 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30659 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMDPEFYHERRGSLCSGCQ KPITGRCITAMAKKFHPEHF VCAFCLKQLNKGTFKEQNDK PYCQNCFLKLFC ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment 'LIM4 domain residues 527-591' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8309.760 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 534 GLY . 30659 2 2 535 ALA . 30659 2 3 536 MET . 30659 2 4 537 ASP . 30659 2 5 538 PRO . 30659 2 6 539 GLU . 30659 2 7 540 PHE . 30659 2 8 541 TYR . 30659 2 9 542 HIS . 30659 2 10 543 GLU . 30659 2 11 544 ARG . 30659 2 12 545 ARG . 30659 2 13 546 GLY . 30659 2 14 547 SER . 30659 2 15 548 LEU . 30659 2 16 549 CYS . 30659 2 17 550 SER . 30659 2 18 551 GLY . 30659 2 19 552 CYS . 30659 2 20 553 GLN . 30659 2 21 554 LYS . 30659 2 22 555 PRO . 30659 2 23 556 ILE . 30659 2 24 557 THR . 30659 2 25 558 GLY . 30659 2 26 559 ARG . 30659 2 27 560 CYS . 30659 2 28 561 ILE . 30659 2 29 562 THR . 30659 2 30 563 ALA . 30659 2 31 564 MET . 30659 2 32 565 ALA . 30659 2 33 566 LYS . 30659 2 34 567 LYS . 30659 2 35 568 PHE . 30659 2 36 569 HIS . 30659 2 37 570 PRO . 30659 2 38 571 GLU . 30659 2 39 572 HIS . 30659 2 40 573 PHE . 30659 2 41 574 VAL . 30659 2 42 575 CYS . 30659 2 43 576 ALA . 30659 2 44 577 PHE . 30659 2 45 578 CYS . 30659 2 46 579 LEU . 30659 2 47 580 LYS . 30659 2 48 581 GLN . 30659 2 49 582 LEU . 30659 2 50 583 ASN . 30659 2 51 584 LYS . 30659 2 52 585 GLY . 30659 2 53 586 THR . 30659 2 54 587 PHE . 30659 2 55 588 LYS . 30659 2 56 589 GLU . 30659 2 57 590 GLN . 30659 2 58 591 ASN . 30659 2 59 592 ASP . 30659 2 60 593 LYS . 30659 2 61 594 PRO . 30659 2 62 595 TYR . 30659 2 63 596 CYS . 30659 2 64 597 GLN . 30659 2 65 598 ASN . 30659 2 66 599 CYS . 30659 2 67 600 PHE . 30659 2 68 601 LEU . 30659 2 69 602 LYS . 30659 2 70 603 LEU . 30659 2 71 604 PHE . 30659 2 72 605 CYS . 30659 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 . GLY 1 1 30659 2 . ALA 2 2 30659 2 . MET 3 3 30659 2 . ASP 4 4 30659 2 . PRO 5 5 30659 2 . GLU 6 6 30659 2 . PHE 7 7 30659 2 . TYR 8 8 30659 2 . HIS 9 9 30659 2 . GLU 10 10 30659 2 . ARG 11 11 30659 2 . ARG 12 12 30659 2 . GLY 13 13 30659 2 . SER 14 14 30659 2 . LEU 15 15 30659 2 . CYS 16 16 30659 2 . SER 17 17 30659 2 . GLY 18 18 30659 2 . CYS 19 19 30659 2 . GLN 20 20 30659 2 . LYS 21 21 30659 2 . PRO 22 22 30659 2 . ILE 23 23 30659 2 . THR 24 24 30659 2 . GLY 25 25 30659 2 . ARG 26 26 30659 2 . CYS 27 27 30659 2 . ILE 28 28 30659 2 . THR 29 29 30659 2 . ALA 30 30 30659 2 . MET 31 31 30659 2 . ALA 32 32 30659 2 . LYS 33 33 30659 2 . LYS 34 34 30659 2 . PHE 35 35 30659 2 . HIS 36 36 30659 2 . PRO 37 37 30659 2 . GLU 38 38 30659 2 . HIS 39 39 30659 2 . PHE 40 40 30659 2 . VAL 41 41 30659 2 . CYS 42 42 30659 2 . ALA 43 43 30659 2 . PHE 44 44 30659 2 . CYS 45 45 30659 2 . LEU 46 46 30659 2 . LYS 47 47 30659 2 . GLN 48 48 30659 2 . LEU 49 49 30659 2 . ASN 50 50 30659 2 . LYS 51 51 30659 2 . GLY 52 52 30659 2 . THR 53 53 30659 2 . PHE 54 54 30659 2 . LYS 55 55 30659 2 . GLU 56 56 30659 2 . GLN 57 57 30659 2 . ASN 58 58 30659 2 . ASP 59 59 30659 2 . LYS 60 60 30659 2 . PRO 61 61 30659 2 . TYR 62 62 30659 2 . CYS 63 63 30659 2 . GLN 64 64 30659 2 . ASN 65 65 30659 2 . CYS 66 66 30659 2 . PHE 67 67 30659 2 . LEU 68 68 30659 2 . LYS 69 69 30659 2 . LEU 70 70 30659 2 . PHE 71 71 30659 2 . CYS 72 72 30659 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 30659 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 30659 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 30659 3 ZN 'Three letter code' 30659 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 30659 3 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 30659 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'FERMT2, KIND2, MIG2, PLEKHC1' . 30659 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . PXN . 30659 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 30659 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . plasmid . . pGST-1 . . . 30659 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . plasmid . . pGST-1 . . . 30659 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 30659 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 30659 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 30659 ZN [Zn++] SMILES CACTVS 3.341 30659 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 30659 ZN [Zn+2] SMILES ACDLabs 10.04 30659 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 30659 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30659 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 30659 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30659 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30659 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30659 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.55 mM U-15N, U-13C paxillin LIM4, 0.89 mM kindlin-2 F0, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'paxillin LIM4' '[U-15N; U-13C]' . . 2 $entity_2 . . 0.55 . . mM . . . . 30659 1 2 'kindlin-2 F0' 'natural abundance' . . 1 $entity_1 . . 0.89 . . mM . . . . 30659 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30659 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30659 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.54 mM U-15N, U-13C kindlin-2 F0, 0.85 mM paxillin LIM4, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'paxillin LIM4' 'natural abundance' . . 2 $entity_2 . . 0.85 . . mM . . . . 30659 2 2 'kindlin-2 F0' 'U-15N, U-13C' . . 1 $entity_1 . . 0.54 . . mM . . . . 30659 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30659 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30659 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.55 mM U-15N, U-13C paxillin LIM4, 0.89 mM kindlin-2 F0, 99.8% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'paxillin LIM4' 'U-15N, U-13C' . . 2 $entity_2 . . 0.55 . . mM . . . . 30659 3 2 'kindlin-2 F0' 'natural abundance' . . 1 $entity_1 . . 0.89 . . mM . . . . 30659 3 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30659 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30659 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.54 mM U-15N, U-13C kindlin-2 F0, 0.85 mM paxillin LIM4, 99.8% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'paxillin LIM4' 'natural abundance' . . 2 $entity_2 . . 0.85 . . mM . . . . 30659 4 2 'kindlin-2 F0' 'U-15N, U-13C' . . 1 $entity_1 . . 0.54 . . mM . . . . 30659 4 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30659 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30659 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 'ionic strength' 50 . mM 30659 1 pH 6.8 . pH 30659 1 pressure 1 . Pa 30659 1 temperature 298 . K 30659 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30659 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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 'ionic strength' 50 . mM 30659 2 pH 6.8 . pH 30659 2 pressure 1 . Pa 30659 2 temperature 298 . K 30659 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30659 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30659 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30659 1 . 'structure calculation' 30659 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30659 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30659 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 30659 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30659 _Software.ID 3 _Software.Type . _Software.Name PIPP _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 30659 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 30659 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30659 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30659 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 30659 4 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 30659 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30659 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 'AVANCE III' . 850 . . . 30659 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 30659 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N/13C-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30659 1 2 '3D 15N/13C-edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30659 1 3 '3D 15N/13C-filtered NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30659 1 4 '3D 15N/13C-filtered NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30659 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30659 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30659 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30659 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30659 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30659 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 '3D 15N/13C-edited NOESY' . . . 30659 1 2 '3D 15N/13C-edited NOESY' . . . 30659 1 3 '3D 15N/13C-filtered NOESY' . . . 30659 1 4 '3D 15N/13C-filtered NOESY' . . . 30659 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.Ambiguity_set_ID _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 8 8 MET H H 1 7.920 0.03 . 1 . . . . A 1 MET H . 30659 1 2 . 1 1 8 8 MET HA H 1 4.235 0.03 . 1 . . . . A 1 MET HA . 30659 1 3 . 1 1 8 8 MET HB2 H 1 1.905 0.03 . 2 . . . . A 1 MET HB2 . 30659 1 4 . 1 1 8 8 MET HB3 H 1 1.805 0.03 . 2 . . . . A 1 MET HB3 . 30659 1 5 . 1 1 8 8 MET HG2 H 1 2.385 0.03 . 2 . . . . A 1 MET HG2 . 30659 1 6 . 1 1 8 8 MET HG3 H 1 2.340 0.03 . 2 . . . . A 1 MET HG3 . 30659 1 7 . 1 1 8 8 MET CA C 13 55.330 0.50 . 1 . . . . A 1 MET CA . 30659 1 8 . 1 1 8 8 MET CB C 13 32.780 0.50 . 1 . . . . A 1 MET CB . 30659 1 9 . 1 1 8 8 MET CG C 13 31.750 0.50 . 1 . . . . A 1 MET CG . 30659 1 10 . 1 1 8 8 MET N N 15 121.581 0.25 . 1 . . . . A 1 MET N . 30659 1 11 . 1 1 9 9 ALA H H 1 7.993 0.03 . 1 . . . . A 2 ALA H . 30659 1 12 . 1 1 9 9 ALA HA H 1 4.155 0.03 . 1 . . . . A 2 ALA HA . 30659 1 13 . 1 1 9 9 ALA HB1 H 1 1.270 0.03 . 1 . . . . A 2 ALA HB1 . 30659 1 14 . 1 1 9 9 ALA HB2 H 1 1.270 0.03 . 1 . . . . A 2 ALA HB2 . 30659 1 15 . 1 1 9 9 ALA HB3 H 1 1.270 0.03 . 1 . . . . A 2 ALA HB3 . 30659 1 16 . 1 1 9 9 ALA CA C 13 52.220 0.50 . 1 . . . . A 2 ALA CA . 30659 1 17 . 1 1 9 9 ALA CB C 13 18.770 0.50 . 1 . . . . A 2 ALA CB . 30659 1 18 . 1 1 9 9 ALA N N 15 124.500 0.25 . 1 . . . . A 2 ALA N . 30659 1 19 . 1 1 10 10 LEU H H 1 8.042 0.03 . 1 . . . . A 3 LEU H . 30659 1 20 . 1 1 10 10 LEU HA H 1 4.188 0.03 . 1 . . . . A 3 LEU HA . 30659 1 21 . 1 1 10 10 LEU HB2 H 1 1.530 0.03 . 2 . . . . A 3 LEU HB2 . 30659 1 22 . 1 1 10 10 LEU HB3 H 1 1.470 0.03 . 2 . . . . A 3 LEU HB3 . 30659 1 23 . 1 1 10 10 LEU HG H 1 1.415 0.03 . 1 . . . . A 3 LEU HG . 30659 1 24 . 1 1 10 10 LEU HD11 H 1 0.715 0.03 . 2 . . . . A 3 LEU HD11 . 30659 1 25 . 1 1 10 10 LEU HD12 H 1 0.715 0.03 . 2 . . . . A 3 LEU HD12 . 30659 1 26 . 1 1 10 10 LEU HD13 H 1 0.715 0.03 . 2 . . . . A 3 LEU HD13 . 30659 1 27 . 1 1 10 10 LEU HD21 H 1 0.695 0.03 . 2 . . . . A 3 LEU HD21 . 30659 1 28 . 1 1 10 10 LEU HD22 H 1 0.695 0.03 . 2 . . . . A 3 LEU HD22 . 30659 1 29 . 1 1 10 10 LEU HD23 H 1 0.695 0.03 . 2 . . . . A 3 LEU HD23 . 30659 1 30 . 1 1 10 10 LEU CA C 13 55.060 0.50 . 1 . . . . A 3 LEU CA . 30659 1 31 . 1 1 10 10 LEU CB C 13 41.970 0.50 . 1 . . . . A 3 LEU CB . 30659 1 32 . 1 1 10 10 LEU CG C 13 26.720 0.50 . 1 . . . . A 3 LEU CG . 30659 1 33 . 1 1 10 10 LEU CD1 C 13 24.550 0.50 . 2 . . . . A 3 LEU CD1 . 30659 1 34 . 1 1 10 10 LEU CD2 C 13 23.480 0.50 . 2 . . . . A 3 LEU CD2 . 30659 1 35 . 1 1 10 10 LEU N N 15 121.021 0.25 . 1 . . . . A 3 LEU N . 30659 1 36 . 1 1 11 11 ASP H H 1 8.120 0.03 . 1 . . . . A 4 ASP H . 30659 1 37 . 1 1 11 11 ASP HA H 1 4.430 0.03 . 1 . . . . A 4 ASP HA . 30659 1 38 . 1 1 11 11 ASP HB2 H 1 2.545 0.03 . 2 . . . . A 4 ASP HB2 . 30659 1 39 . 1 1 11 11 ASP CA C 13 54.290 0.50 . 1 . . . . A 4 ASP CA . 30659 1 40 . 1 1 11 11 ASP CB C 13 40.950 0.50 . 1 . . . . A 4 ASP CB . 30659 1 41 . 1 1 11 11 ASP N N 15 119.765 0.25 . 1 . . . . A 4 ASP N . 30659 1 42 . 1 1 12 12 GLY H H 1 8.090 0.03 . 1 . . . . A 5 GLY H . 30659 1 43 . 1 1 12 12 GLY HA2 H 1 3.835 0.03 . 2 . . . . A 5 GLY HA2 . 30659 1 44 . 1 1 12 12 GLY CA C 13 45.150 0.50 . 1 . . . . A 5 GLY CA . 30659 1 45 . 1 1 12 12 GLY N N 15 108.268 0.25 . 1 . . . . A 5 GLY N . 30659 1 46 . 1 1 13 13 ILE H H 1 7.765 0.03 . 1 . . . . A 6 ILE H . 30659 1 47 . 1 1 13 13 ILE HA H 1 4.055 0.03 . 1 . . . . A 6 ILE HA . 30659 1 48 . 1 1 13 13 ILE HB H 1 1.760 0.03 . 1 . . . . A 6 ILE HB . 30659 1 49 . 1 1 13 13 ILE HG12 H 1 1.345 0.03 . 2 . . . . A 6 ILE HG12 . 30659 1 50 . 1 1 13 13 ILE HG13 H 1 1.045 0.03 . 2 . . . . A 6 ILE HG13 . 30659 1 51 . 1 1 13 13 ILE HG21 H 1 0.765 0.03 . 1 . . . . A 6 ILE HG21 . 30659 1 52 . 1 1 13 13 ILE HG22 H 1 0.765 0.03 . 1 . . . . A 6 ILE HG22 . 30659 1 53 . 1 1 13 13 ILE HG23 H 1 0.765 0.03 . 1 . . . . A 6 ILE HG23 . 30659 1 54 . 1 1 13 13 ILE HD11 H 1 0.730 0.03 . 1 . . . . A 6 ILE HD11 . 30659 1 55 . 1 1 13 13 ILE HD12 H 1 0.730 0.03 . 1 . . . . A 6 ILE HD12 . 30659 1 56 . 1 1 13 13 ILE HD13 H 1 0.730 0.03 . 1 . . . . A 6 ILE HD13 . 30659 1 57 . 1 1 13 13 ILE CA C 13 60.710 0.50 . 1 . . . . A 6 ILE CA . 30659 1 58 . 1 1 13 13 ILE CB C 13 38.430 0.50 . 1 . . . . A 6 ILE CB . 30659 1 59 . 1 1 13 13 ILE CG1 C 13 26.900 0.50 . 1 . . . . A 6 ILE CG1 . 30659 1 60 . 1 1 13 13 ILE CG2 C 13 17.330 0.50 . 1 . . . . A 6 ILE CG2 . 30659 1 61 . 1 1 13 13 ILE CD1 C 13 12.490 0.50 . 1 . . . . A 6 ILE CD1 . 30659 1 62 . 1 1 13 13 ILE N N 15 119.901 0.25 . 1 . . . . A 6 ILE N . 30659 1 63 . 1 1 14 14 ARG H H 1 8.305 0.03 . 1 . . . . A 7 ARG H . 30659 1 64 . 1 1 14 14 ARG HA H 1 4.115 0.03 . 1 . . . . A 7 ARG HA . 30659 1 65 . 1 1 14 14 ARG HB2 H 1 1.580 0.03 . 2 . . . . A 7 ARG HB2 . 30659 1 66 . 1 1 14 14 ARG HB3 H 1 1.515 0.03 . 2 . . . . A 7 ARG HB3 . 30659 1 67 . 1 1 14 14 ARG HG2 H 1 1.295 0.03 . 2 . . . . A 7 ARG HG2 . 30659 1 68 . 1 1 14 14 ARG HD2 H 1 2.932 0.03 . 2 . . . . A 7 ARG HD2 . 30659 1 69 . 1 1 14 14 ARG CA C 13 55.380 0.50 . 1 . . . . A 7 ARG CA . 30659 1 70 . 1 1 14 14 ARG CB C 13 30.990 0.50 . 1 . . . . A 7 ARG CB . 30659 1 71 . 1 1 14 14 ARG CG C 13 26.950 0.50 . 1 . . . . A 7 ARG CG . 30659 1 72 . 1 1 14 14 ARG CD C 13 43.000 0.50 . 1 . . . . A 7 ARG CD . 30659 1 73 . 1 1 14 14 ARG N N 15 125.586 0.25 . 1 . . . . A 7 ARG N . 30659 1 74 . 1 1 15 15 MET H H 1 8.485 0.03 . 1 . . . . A 8 MET H . 30659 1 75 . 1 1 15 15 MET HA H 1 4.125 0.03 . 1 . . . . A 8 MET HA . 30659 1 76 . 1 1 15 15 MET HB2 H 1 1.980 0.03 . 2 . . . . A 8 MET HB2 . 30659 1 77 . 1 1 15 15 MET HG2 H 1 2.545 0.03 . 2 . . . . A 8 MET HG2 . 30659 1 78 . 1 1 15 15 MET HG3 H 1 2.385 0.03 . 2 . . . . A 8 MET HG3 . 30659 1 79 . 1 1 15 15 MET CA C 13 55.330 0.50 . 1 . . . . A 8 MET CA . 30659 1 80 . 1 1 15 15 MET CB C 13 31.990 0.50 . 1 . . . . A 8 MET CB . 30659 1 81 . 1 1 15 15 MET CG C 13 32.160 0.50 . 1 . . . . A 8 MET CG . 30659 1 82 . 1 1 15 15 MET N N 15 123.601 0.25 . 1 . . . . A 8 MET N . 30659 1 83 . 1 1 16 16 PRO HA H 1 4.235 0.03 . 1 . . . . A 9 PRO HA . 30659 1 84 . 1 1 16 16 PRO HB2 H 1 2.210 0.03 . 2 . . . . A 9 PRO HB2 . 30659 1 85 . 1 1 16 16 PRO HB3 H 1 1.775 0.03 . 2 . . . . A 9 PRO HB3 . 30659 1 86 . 1 1 16 16 PRO HG2 H 1 1.910 0.03 . 2 . . . . A 9 PRO HG2 . 30659 1 87 . 1 1 16 16 PRO HD2 H 1 3.750 0.03 . 2 . . . . A 9 PRO HD2 . 30659 1 88 . 1 1 16 16 PRO HD3 H 1 3.560 0.03 . 2 . . . . A 9 PRO HD3 . 30659 1 89 . 1 1 16 16 PRO CA C 13 63.630 0.50 . 1 . . . . A 9 PRO CA . 30659 1 90 . 1 1 16 16 PRO CB C 13 31.820 0.50 . 1 . . . . A 9 PRO CB . 30659 1 91 . 1 1 16 16 PRO CG C 13 27.150 0.50 . 1 . . . . A 9 PRO CG . 30659 1 92 . 1 1 16 16 PRO CD C 13 50.560 0.50 . 1 . . . . A 9 PRO CD . 30659 1 93 . 1 1 17 17 ASP H H 1 7.986 0.03 . 1 . . . . A 10 ASP H . 30659 1 94 . 1 1 17 17 ASP HA H 1 4.360 0.03 . 1 . . . . A 10 ASP HA . 30659 1 95 . 1 1 17 17 ASP HB2 H 1 2.660 0.03 . 2 . . . . A 10 ASP HB2 . 30659 1 96 . 1 1 17 17 ASP HB3 H 1 2.535 0.03 . 2 . . . . A 10 ASP HB3 . 30659 1 97 . 1 1 17 17 ASP CA C 13 54.130 0.50 . 1 . . . . A 10 ASP CA . 30659 1 98 . 1 1 17 17 ASP CB C 13 40.430 0.50 . 1 . . . . A 10 ASP CB . 30659 1 99 . 1 1 17 17 ASP N N 15 117.729 0.25 . 1 . . . . A 10 ASP N . 30659 1 100 . 1 1 18 18 GLY H H 1 8.230 0.03 . 1 . . . . A 11 GLY H . 30659 1 101 . 1 1 18 18 GLY HA2 H 1 3.983 0.03 . 2 . . . . A 11 GLY HA2 . 30659 1 102 . 1 1 18 18 GLY HA3 H 1 3.600 0.03 . 2 . . . . A 11 GLY HA3 . 30659 1 103 . 1 1 18 18 GLY CA C 13 45.040 0.50 . 1 . . . . A 11 GLY CA . 30659 1 104 . 1 1 18 18 GLY N N 15 108.659 0.25 . 1 . . . . A 11 GLY N . 30659 1 105 . 1 1 19 19 CYS H H 1 7.810 0.03 . 1 . . . . A 12 CYS H . 30659 1 106 . 1 1 19 19 CYS HA H 1 4.550 0.03 . 1 . . . . A 12 CYS HA . 30659 1 107 . 1 1 19 19 CYS HB2 H 1 2.825 0.03 . 2 . . . . A 12 CYS HB2 . 30659 1 108 . 1 1 19 19 CYS CA C 13 58.350 0.50 . 1 . . . . A 12 CYS CA . 30659 1 109 . 1 1 19 19 CYS CB C 13 28.400 0.50 . 1 . . . . A 12 CYS CB . 30659 1 110 . 1 1 19 19 CYS N N 15 118.111 0.25 . 1 . . . . A 12 CYS N . 30659 1 111 . 1 1 20 20 TYR H H 1 8.575 0.03 . 1 . . . . A 13 TYR H . 30659 1 112 . 1 1 20 20 TYR HA H 1 4.550 0.03 . 1 . . . . A 13 TYR HA . 30659 1 113 . 1 1 20 20 TYR HB2 H 1 3.020 0.03 . 2 . . . . A 13 TYR HB2 . 30659 1 114 . 1 1 20 20 TYR HB3 H 1 2.855 0.03 . 2 . . . . A 13 TYR HB3 . 30659 1 115 . 1 1 20 20 TYR CA C 13 58.470 0.50 . 1 . . . . A 13 TYR CA . 30659 1 116 . 1 1 20 20 TYR CB C 13 39.090 0.50 . 1 . . . . A 13 TYR CB . 30659 1 117 . 1 1 20 20 TYR N N 15 120.894 0.25 . 1 . . . . A 13 TYR N . 30659 1 118 . 1 1 21 21 ALA H H 1 8.665 0.03 . 1 . . . . A 14 ALA H . 30659 1 119 . 1 1 21 21 ALA HA H 1 4.145 0.03 . 1 . . . . A 14 ALA HA . 30659 1 120 . 1 1 21 21 ALA HB1 H 1 1.340 0.03 . 1 . . . . A 14 ALA HB1 . 30659 1 121 . 1 1 21 21 ALA HB2 H 1 1.340 0.03 . 1 . . . . A 14 ALA HB2 . 30659 1 122 . 1 1 21 21 ALA HB3 H 1 1.340 0.03 . 1 . . . . A 14 ALA HB3 . 30659 1 123 . 1 1 21 21 ALA CA C 13 53.450 0.50 . 1 . . . . A 14 ALA CA . 30659 1 124 . 1 1 21 21 ALA CB C 13 18.630 0.50 . 1 . . . . A 14 ALA CB . 30659 1 125 . 1 1 21 21 ALA N N 15 124.746 0.25 . 1 . . . . A 14 ALA N . 30659 1 126 . 1 1 22 22 ASP H H 1 7.885 0.03 . 1 . . . . A 15 ASP H . 30659 1 127 . 1 1 22 22 ASP HA H 1 4.425 0.03 . 1 . . . . A 15 ASP HA . 30659 1 128 . 1 1 22 22 ASP HB2 H 1 2.855 0.03 . 2 . . . . A 15 ASP HB2 . 30659 1 129 . 1 1 22 22 ASP HB3 H 1 2.515 0.03 . 2 . . . . A 15 ASP HB3 . 30659 1 130 . 1 1 22 22 ASP CA C 13 53.500 0.50 . 1 . . . . A 15 ASP CA . 30659 1 131 . 1 1 22 22 ASP CB C 13 40.370 0.50 . 1 . . . . A 15 ASP CB . 30659 1 132 . 1 1 22 22 ASP N N 15 117.118 0.25 . 1 . . . . A 15 ASP N . 30659 1 133 . 1 1 23 23 GLY H H 1 8.299 0.03 . 1 . . . . A 16 GLY H . 30659 1 134 . 1 1 23 23 GLY HA2 H 1 4.160 0.03 . 2 . . . . A 16 GLY HA2 . 30659 1 135 . 1 1 23 23 GLY HA3 H 1 3.825 0.03 . 2 . . . . A 16 GLY HA3 . 30659 1 136 . 1 1 23 23 GLY CA C 13 45.370 0.50 . 1 . . . . A 16 GLY CA . 30659 1 137 . 1 1 23 23 GLY N N 15 108.837 0.25 . 1 . . . . A 16 GLY N . 30659 1 138 . 1 1 24 24 THR H H 1 7.815 0.03 . 1 . . . . A 17 THR H . 30659 1 139 . 1 1 24 24 THR HA H 1 4.660 0.03 . 1 . . . . A 17 THR HA . 30659 1 140 . 1 1 24 24 THR HB H 1 3.900 0.03 . 1 . . . . A 17 THR HB . 30659 1 141 . 1 1 24 24 THR HG21 H 1 0.820 0.03 . 1 . . . . A 17 THR HG21 . 30659 1 142 . 1 1 24 24 THR HG22 H 1 0.820 0.03 . 1 . . . . A 17 THR HG22 . 30659 1 143 . 1 1 24 24 THR HG23 H 1 0.820 0.03 . 1 . . . . A 17 THR HG23 . 30659 1 144 . 1 1 24 24 THR CA C 13 60.540 0.50 . 1 . . . . A 17 THR CA . 30659 1 145 . 1 1 24 24 THR CB C 13 72.100 0.50 . 1 . . . . A 17 THR CB . 30659 1 146 . 1 1 24 24 THR CG2 C 13 21.300 0.50 . 1 . . . . A 17 THR CG2 . 30659 1 147 . 1 1 24 24 THR N N 15 110.712 0.25 . 1 . . . . A 17 THR N . 30659 1 148 . 1 1 25 25 TRP H H 1 8.577 0.03 . 1 . . . . A 18 TRP H . 30659 1 149 . 1 1 25 25 TRP HA H 1 4.945 0.03 . 1 . . . . A 18 TRP HA . 30659 1 150 . 1 1 25 25 TRP HB2 H 1 3.400 0.03 . 2 . . . . A 18 TRP HB2 . 30659 1 151 . 1 1 25 25 TRP HB3 H 1 3.275 0.03 . 2 . . . . A 18 TRP HB3 . 30659 1 152 . 1 1 25 25 TRP HD1 H 1 7.214 0.03 . 1 . . . . A 18 TRP HD1 . 30659 1 153 . 1 1 25 25 TRP HE1 H 1 9.780 0.03 . 1 . . . . A 18 TRP HE1 . 30659 1 154 . 1 1 25 25 TRP HZ2 H 1 7.018 0.03 . 1 . . . . A 18 TRP HZ2 . 30659 1 155 . 1 1 25 25 TRP CA C 13 54.620 0.50 . 1 . . . . A 18 TRP CA . 30659 1 156 . 1 1 25 25 TRP CB C 13 30.650 0.50 . 1 . . . . A 18 TRP CB . 30659 1 157 . 1 1 25 25 TRP N N 15 117.279 0.25 . 1 . . . . A 18 TRP N . 30659 1 158 . 1 1 25 25 TRP NE1 N 15 128.327 0.25 . 1 . . . . A 18 TRP NE1 . 30659 1 159 . 1 1 26 26 GLU H H 1 8.774 0.03 . 1 . . . . A 19 GLU H . 30659 1 160 . 1 1 26 26 GLU HA H 1 4.866 0.03 . 1 . . . . A 19 GLU HA . 30659 1 161 . 1 1 26 26 GLU HB2 H 1 1.985 0.03 . 2 . . . . A 19 GLU HB2 . 30659 1 162 . 1 1 26 26 GLU HB3 H 1 1.755 0.03 . 2 . . . . A 19 GLU HB3 . 30659 1 163 . 1 1 26 26 GLU HG2 H 1 2.255 0.03 . 2 . . . . A 19 GLU HG2 . 30659 1 164 . 1 1 26 26 GLU HG3 H 1 1.900 0.03 . 2 . . . . A 19 GLU HG3 . 30659 1 165 . 1 1 26 26 GLU CA C 13 55.710 0.50 . 1 . . . . A 19 GLU CA . 30659 1 166 . 1 1 26 26 GLU CB C 13 31.500 0.50 . 1 . . . . A 19 GLU CB . 30659 1 167 . 1 1 26 26 GLU CG C 13 37.530 0.50 . 1 . . . . A 19 GLU CG . 30659 1 168 . 1 1 26 26 GLU N N 15 117.729 0.25 . 1 . . . . A 19 GLU N . 30659 1 169 . 1 1 27 27 LEU HA H 1 4.880 0.03 . 1 . . . . A 20 LEU HA . 30659 1 170 . 1 1 27 27 LEU HB2 H 1 1.452 0.03 . 2 . . . . A 20 LEU HB2 . 30659 1 171 . 1 1 27 27 LEU HB3 H 1 1.150 0.03 . 2 . . . . A 20 LEU HB3 . 30659 1 172 . 1 1 27 27 LEU HG H 1 1.220 0.03 . 1 . . . . A 20 LEU HG . 30659 1 173 . 1 1 27 27 LEU HD11 H 1 0.735 0.03 . 2 . . . . A 20 LEU HD11 . 30659 1 174 . 1 1 27 27 LEU HD12 H 1 0.735 0.03 . 2 . . . . A 20 LEU HD12 . 30659 1 175 . 1 1 27 27 LEU HD13 H 1 0.735 0.03 . 2 . . . . A 20 LEU HD13 . 30659 1 176 . 1 1 27 27 LEU HD21 H 1 0.500 0.03 . 2 . . . . A 20 LEU HD21 . 30659 1 177 . 1 1 27 27 LEU HD22 H 1 0.500 0.03 . 2 . . . . A 20 LEU HD22 . 30659 1 178 . 1 1 27 27 LEU HD23 H 1 0.500 0.03 . 2 . . . . A 20 LEU HD23 . 30659 1 179 . 1 1 27 27 LEU CA C 13 53.252 0.50 . 1 . . . . A 20 LEU CA . 30659 1 180 . 1 1 27 27 LEU CB C 13 45.540 0.50 . 1 . . . . A 20 LEU CB . 30659 1 181 . 1 1 27 27 LEU CG C 13 26.970 0.50 . 1 . . . . A 20 LEU CG . 30659 1 182 . 1 1 27 27 LEU CD1 C 13 23.710 0.50 . 2 . . . . A 20 LEU CD1 . 30659 1 183 . 1 1 27 27 LEU CD2 C 13 26.690 0.50 . 2 . . . . A 20 LEU CD2 . 30659 1 184 . 1 1 28 28 SER H H 1 8.685 0.03 . 1 . . . . A 21 SER H . 30659 1 185 . 1 1 28 28 SER HA H 1 4.830 0.03 . 1 . . . . A 21 SER HA . 30659 1 186 . 1 1 28 28 SER HB2 H 1 3.755 0.03 . 2 . . . . A 21 SER HB2 . 30659 1 187 . 1 1 28 28 SER CA C 13 57.880 0.50 . 1 . . . . A 21 SER CA . 30659 1 188 . 1 1 28 28 SER CB C 13 63.920 0.50 . 1 . . . . A 21 SER CB . 30659 1 189 . 1 1 28 28 SER N N 15 121.369 0.25 . 1 . . . . A 21 SER N . 30659 1 190 . 1 1 29 29 VAL H H 1 8.865 0.03 . 1 . . . . A 22 VAL H . 30659 1 191 . 1 1 29 29 VAL HA H 1 4.370 0.03 . 1 . . . . A 22 VAL HA . 30659 1 192 . 1 1 29 29 VAL HB H 1 1.665 0.03 . 1 . . . . A 22 VAL HB . 30659 1 193 . 1 1 29 29 VAL HG11 H 1 0.505 0.03 . 2 . . . . A 22 VAL HG11 . 30659 1 194 . 1 1 29 29 VAL HG12 H 1 0.505 0.03 . 2 . . . . A 22 VAL HG12 . 30659 1 195 . 1 1 29 29 VAL HG13 H 1 0.505 0.03 . 2 . . . . A 22 VAL HG13 . 30659 1 196 . 1 1 29 29 VAL HG21 H 1 0.480 0.03 . 2 . . . . A 22 VAL HG21 . 30659 1 197 . 1 1 29 29 VAL HG22 H 1 0.480 0.03 . 2 . . . . A 22 VAL HG22 . 30659 1 198 . 1 1 29 29 VAL HG23 H 1 0.480 0.03 . 2 . . . . A 22 VAL HG23 . 30659 1 199 . 1 1 29 29 VAL CA C 13 60.440 0.50 . 1 . . . . A 22 VAL CA . 30659 1 200 . 1 1 29 29 VAL CB C 13 34.450 0.50 . 1 . . . . A 22 VAL CB . 30659 1 201 . 1 1 29 29 VAL CG1 C 13 22.630 0.50 . 2 . . . . A 22 VAL CG1 . 30659 1 202 . 1 1 29 29 VAL CG2 C 13 20.180 0.50 . 2 . . . . A 22 VAL CG2 . 30659 1 203 . 1 1 29 29 VAL N N 15 125.883 0.25 . 1 . . . . A 22 VAL N . 30659 1 204 . 1 1 30 30 HIS H H 1 8.695 0.03 . 1 . . . . A 23 HIS H . 30659 1 205 . 1 1 30 30 HIS HA H 1 5.220 0.03 . 1 . . . . A 23 HIS HA . 30659 1 206 . 1 1 30 30 HIS HB2 H 1 3.220 0.03 . 2 . . . . A 23 HIS HB2 . 30659 1 207 . 1 1 30 30 HIS HB3 H 1 3.140 0.03 . 2 . . . . A 23 HIS HB3 . 30659 1 208 . 1 1 30 30 HIS CA C 13 55.250 0.50 . 1 . . . . A 23 HIS CA . 30659 1 209 . 1 1 30 30 HIS CB C 13 30.290 0.50 . 1 . . . . A 23 HIS CB . 30659 1 210 . 1 1 30 30 HIS N N 15 125.908 0.25 . 1 . . . . A 23 HIS N . 30659 1 211 . 1 1 31 31 VAL H H 1 9.153 0.03 . 1 . . . . A 24 VAL H . 30659 1 212 . 1 1 31 31 VAL HA H 1 4.865 0.03 . 1 . . . . A 24 VAL HA . 30659 1 213 . 1 1 31 31 VAL HB H 1 2.130 0.03 . 1 . . . . A 24 VAL HB . 30659 1 214 . 1 1 31 31 VAL HG11 H 1 1.310 0.03 . 2 . . . . A 24 VAL HG11 . 30659 1 215 . 1 1 31 31 VAL HG12 H 1 1.310 0.03 . 2 . . . . A 24 VAL HG12 . 30659 1 216 . 1 1 31 31 VAL HG13 H 1 1.310 0.03 . 2 . . . . A 24 VAL HG13 . 30659 1 217 . 1 1 31 31 VAL HG21 H 1 0.980 0.03 . 2 . . . . A 24 VAL HG21 . 30659 1 218 . 1 1 31 31 VAL HG22 H 1 0.980 0.03 . 2 . . . . A 24 VAL HG22 . 30659 1 219 . 1 1 31 31 VAL HG23 H 1 0.980 0.03 . 2 . . . . A 24 VAL HG23 . 30659 1 220 . 1 1 31 31 VAL CA C 13 61.640 0.50 . 1 . . . . A 24 VAL CA . 30659 1 221 . 1 1 31 31 VAL CB C 13 31.040 0.50 . 1 . . . . A 24 VAL CB . 30659 1 222 . 1 1 31 31 VAL CG1 C 13 22.350 0.50 . 2 . . . . A 24 VAL CG1 . 30659 1 223 . 1 1 31 31 VAL CG2 C 13 21.350 0.50 . 2 . . . . A 24 VAL CG2 . 30659 1 224 . 1 1 31 31 VAL N N 15 130.142 0.25 . 1 . . . . A 24 VAL N . 30659 1 225 . 1 1 32 32 THR H H 1 8.290 0.03 . 1 . . . . A 25 THR H . 30659 1 226 . 1 1 32 32 THR HA H 1 3.885 0.03 . 1 . . . . A 25 THR HA . 30659 1 227 . 1 1 32 32 THR HB H 1 4.250 0.03 . 1 . . . . A 25 THR HB . 30659 1 228 . 1 1 32 32 THR HG21 H 1 1.385 0.03 . 1 . . . . A 25 THR HG21 . 30659 1 229 . 1 1 32 32 THR HG22 H 1 1.385 0.03 . 1 . . . . A 25 THR HG22 . 30659 1 230 . 1 1 32 32 THR HG23 H 1 1.385 0.03 . 1 . . . . A 25 THR HG23 . 30659 1 231 . 1 1 32 32 THR CA C 13 66.210 0.50 . 1 . . . . A 25 THR CA . 30659 1 232 . 1 1 32 32 THR CB C 13 68.220 0.50 . 1 . . . . A 25 THR CB . 30659 1 233 . 1 1 32 32 THR CG2 C 13 22.150 0.50 . 1 . . . . A 25 THR CG2 . 30659 1 234 . 1 1 32 32 THR N N 15 122.319 0.25 . 1 . . . . A 25 THR N . 30659 1 235 . 1 1 33 33 ASP CA C 13 56.331 0.50 . 1 . . . . A 26 ASP CA . 30659 1 236 . 1 1 33 33 ASP CB C 13 40.200 0.50 . 1 . . . . A 26 ASP CB . 30659 1 237 . 1 1 34 34 LEU HA H 1 4.430 0.03 . 1 . . . . A 27 LEU HA . 30659 1 238 . 1 1 34 34 LEU HB2 H 1 1.597 0.03 . 2 . . . . A 27 LEU HB2 . 30659 1 239 . 1 1 34 34 LEU HB3 H 1 1.515 0.03 . 2 . . . . A 27 LEU HB3 . 30659 1 240 . 1 1 34 34 LEU HG H 1 1.592 0.03 . 1 . . . . A 27 LEU HG . 30659 1 241 . 1 1 34 34 LEU HD11 H 1 0.960 0.03 . 2 . . . . A 27 LEU HD11 . 30659 1 242 . 1 1 34 34 LEU HD12 H 1 0.960 0.03 . 2 . . . . A 27 LEU HD12 . 30659 1 243 . 1 1 34 34 LEU HD13 H 1 0.960 0.03 . 2 . . . . A 27 LEU HD13 . 30659 1 244 . 1 1 34 34 LEU HD21 H 1 0.798 0.03 . 2 . . . . A 27 LEU HD21 . 30659 1 245 . 1 1 34 34 LEU HD22 H 1 0.798 0.03 . 2 . . . . A 27 LEU HD22 . 30659 1 246 . 1 1 34 34 LEU HD23 H 1 0.798 0.03 . 2 . . . . A 27 LEU HD23 . 30659 1 247 . 1 1 34 34 LEU CA C 13 53.750 0.50 . 1 . . . . A 27 LEU CA . 30659 1 248 . 1 1 34 34 LEU CB C 13 43.830 0.50 . 1 . . . . A 27 LEU CB . 30659 1 249 . 1 1 34 34 LEU CG C 13 27.060 0.50 . 1 . . . . A 27 LEU CG . 30659 1 250 . 1 1 34 34 LEU CD1 C 13 26.220 0.50 . 2 . . . . A 27 LEU CD1 . 30659 1 251 . 1 1 34 34 LEU CD2 C 13 22.560 0.50 . 2 . . . . A 27 LEU CD2 . 30659 1 252 . 1 1 35 35 ASN H H 1 7.767 0.03 . 1 . . . . A 28 ASN H . 30659 1 253 . 1 1 35 35 ASN HA H 1 4.204 0.03 . 1 . . . . A 28 ASN HA . 30659 1 254 . 1 1 35 35 ASN HB2 H 1 3.243 0.03 . 2 . . . . A 28 ASN HB2 . 30659 1 255 . 1 1 35 35 ASN HB3 H 1 2.530 0.03 . 2 . . . . A 28 ASN HB3 . 30659 1 256 . 1 1 35 35 ASN HD21 H 1 7.485 0.03 . 2 . . . . A 28 ASN HD21 . 30659 1 257 . 1 1 35 35 ASN HD22 H 1 6.690 0.03 . 2 . . . . A 28 ASN HD22 . 30659 1 258 . 1 1 35 35 ASN CA C 13 53.650 0.50 . 1 . . . . A 28 ASN CA . 30659 1 259 . 1 1 35 35 ASN CB C 13 36.750 0.50 . 1 . . . . A 28 ASN CB . 30659 1 260 . 1 1 35 35 ASN N N 15 117.050 0.25 . 1 . . . . A 28 ASN N . 30659 1 261 . 1 1 35 35 ASN ND2 N 15 110.220 0.25 . 1 . . . . A 28 ASN ND2 . 30659 1 262 . 1 1 36 36 ARG H H 1 6.752 0.03 . 1 . . . . A 29 ARG H . 30659 1 263 . 1 1 36 36 ARG HA H 1 4.700 0.03 . 1 . . . . A 29 ARG HA . 30659 1 264 . 1 1 36 36 ARG HB2 H 1 1.555 0.03 . 2 . . . . A 29 ARG HB2 . 30659 1 265 . 1 1 36 36 ARG HB3 H 1 1.535 0.03 . 2 . . . . A 29 ARG HB3 . 30659 1 266 . 1 1 36 36 ARG HG2 H 1 1.510 0.03 . 2 . . . . A 29 ARG HG2 . 30659 1 267 . 1 1 36 36 ARG HG3 H 1 1.430 0.03 . 2 . . . . A 29 ARG HG3 . 30659 1 268 . 1 1 36 36 ARG HD2 H 1 3.090 0.03 . 2 . . . . A 29 ARG HD2 . 30659 1 269 . 1 1 36 36 ARG CA C 13 54.900 0.50 . 1 . . . . A 29 ARG CA . 30659 1 270 . 1 1 36 36 ARG CB C 13 34.700 0.50 . 1 . . . . A 29 ARG CB . 30659 1 271 . 1 1 36 36 ARG CG C 13 26.200 0.50 . 1 . . . . A 29 ARG CG . 30659 1 272 . 1 1 36 36 ARG CD C 13 43.210 0.50 . 1 . . . . A 29 ARG CD . 30659 1 273 . 1 1 36 36 ARG N N 15 114.530 0.25 . 1 . . . . A 29 ARG N . 30659 1 274 . 1 1 37 37 ASP H H 1 8.800 0.03 . 1 . . . . A 30 ASP H . 30659 1 275 . 1 1 37 37 ASP HA H 1 5.520 0.03 . 1 . . . . A 30 ASP HA . 30659 1 276 . 1 1 37 37 ASP HB2 H 1 2.438 0.03 . 2 . . . . A 30 ASP HB2 . 30659 1 277 . 1 1 37 37 ASP CA C 13 53.660 0.50 . 1 . . . . A 30 ASP CA . 30659 1 278 . 1 1 37 37 ASP CB C 13 42.260 0.50 . 1 . . . . A 30 ASP CB . 30659 1 279 . 1 1 37 37 ASP N N 15 124.067 0.25 . 1 . . . . A 30 ASP N . 30659 1 280 . 1 1 38 38 VAL H H 1 9.082 0.03 . 1 . . . . A 31 VAL H . 30659 1 281 . 1 1 38 38 VAL HA H 1 4.275 0.03 . 1 . . . . A 31 VAL HA . 30659 1 282 . 1 1 38 38 VAL HB H 1 1.660 0.03 . 1 . . . . A 31 VAL HB . 30659 1 283 . 1 1 38 38 VAL HG11 H 1 0.635 0.03 . 2 . . . . A 31 VAL HG11 . 30659 1 284 . 1 1 38 38 VAL HG12 H 1 0.635 0.03 . 2 . . . . A 31 VAL HG12 . 30659 1 285 . 1 1 38 38 VAL HG13 H 1 0.635 0.03 . 2 . . . . A 31 VAL HG13 . 30659 1 286 . 1 1 38 38 VAL HG21 H 1 0.680 0.03 . 2 . . . . A 31 VAL HG21 . 30659 1 287 . 1 1 38 38 VAL HG22 H 1 0.680 0.03 . 2 . . . . A 31 VAL HG22 . 30659 1 288 . 1 1 38 38 VAL HG23 H 1 0.680 0.03 . 2 . . . . A 31 VAL HG23 . 30659 1 289 . 1 1 38 38 VAL CA C 13 60.700 0.50 . 1 . . . . A 31 VAL CA . 30659 1 290 . 1 1 38 38 VAL CB C 13 35.140 0.50 . 1 . . . . A 31 VAL CB . 30659 1 291 . 1 1 38 38 VAL CG1 C 13 20.590 0.50 . 2 . . . . A 31 VAL CG1 . 30659 1 292 . 1 1 38 38 VAL CG2 C 13 21.660 0.50 . 2 . . . . A 31 VAL CG2 . 30659 1 293 . 1 1 38 38 VAL N N 15 122.430 0.25 . 1 . . . . A 31 VAL N . 30659 1 294 . 1 1 39 39 THR H H 1 8.405 0.03 . 1 . . . . A 32 THR H . 30659 1 295 . 1 1 39 39 THR HA H 1 5.040 0.03 . 1 . . . . A 32 THR HA . 30659 1 296 . 1 1 39 39 THR HB H 1 3.805 0.03 . 1 . . . . A 32 THR HB . 30659 1 297 . 1 1 39 39 THR HG21 H 1 0.985 0.03 . 1 . . . . A 32 THR HG21 . 30659 1 298 . 1 1 39 39 THR HG22 H 1 0.985 0.03 . 1 . . . . A 32 THR HG22 . 30659 1 299 . 1 1 39 39 THR HG23 H 1 0.985 0.03 . 1 . . . . A 32 THR HG23 . 30659 1 300 . 1 1 39 39 THR CA C 13 60.810 0.50 . 1 . . . . A 32 THR CA . 30659 1 301 . 1 1 39 39 THR CB C 13 70.170 0.50 . 1 . . . . A 32 THR CB . 30659 1 302 . 1 1 39 39 THR CG2 C 13 21.710 0.50 . 1 . . . . A 32 THR CG2 . 30659 1 303 . 1 1 39 39 THR N N 15 120.419 0.25 . 1 . . . . A 32 THR N . 30659 1 304 . 1 1 40 40 LEU H H 1 8.775 0.03 . 1 . . . . A 33 LEU H . 30659 1 305 . 1 1 40 40 LEU HA H 1 4.590 0.03 . 1 . . . . A 33 LEU HA . 30659 1 306 . 1 1 40 40 LEU HB2 H 1 1.340 0.03 . 2 . . . . A 33 LEU HB2 . 30659 1 307 . 1 1 40 40 LEU HB3 H 1 1.050 0.03 . 2 . . . . A 33 LEU HB3 . 30659 1 308 . 1 1 40 40 LEU HD11 H 1 0.505 0.03 . 2 . . . . A 33 LEU HD11 . 30659 1 309 . 1 1 40 40 LEU HD12 H 1 0.505 0.03 . 2 . . . . A 33 LEU HD12 . 30659 1 310 . 1 1 40 40 LEU HD13 H 1 0.505 0.03 . 2 . . . . A 33 LEU HD13 . 30659 1 311 . 1 1 40 40 LEU HD21 H 1 0.540 0.03 . 2 . . . . A 33 LEU HD21 . 30659 1 312 . 1 1 40 40 LEU HD22 H 1 0.540 0.03 . 2 . . . . A 33 LEU HD22 . 30659 1 313 . 1 1 40 40 LEU HD23 H 1 0.540 0.03 . 2 . . . . A 33 LEU HD23 . 30659 1 314 . 1 1 40 40 LEU CA C 13 52.580 0.50 . 1 . . . . A 33 LEU CA . 30659 1 315 . 1 1 40 40 LEU CB C 13 45.550 0.50 . 1 . . . . A 33 LEU CB . 30659 1 316 . 1 1 40 40 LEU CD1 C 13 26.730 0.50 . 2 . . . . A 33 LEU CD1 . 30659 1 317 . 1 1 40 40 LEU CD2 C 13 23.780 0.50 . 2 . . . . A 33 LEU CD2 . 30659 1 318 . 1 1 40 40 LEU N N 15 124.670 0.25 . 1 . . . . A 33 LEU N . 30659 1 319 . 1 1 41 41 ARG H H 1 8.285 0.03 . 1 . . . . A 34 ARG H . 30659 1 320 . 1 1 41 41 ARG HA H 1 4.635 0.03 . 1 . . . . A 34 ARG HA . 30659 1 321 . 1 1 41 41 ARG HB2 H 1 1.490 0.03 . 2 . . . . A 34 ARG HB2 . 30659 1 322 . 1 1 41 41 ARG HB3 H 1 1.560 0.03 . 2 . . . . A 34 ARG HB3 . 30659 1 323 . 1 1 41 41 ARG HG2 H 1 1.342 0.03 . 2 . . . . A 34 ARG HG2 . 30659 1 324 . 1 1 41 41 ARG HG3 H 1 1.162 0.03 . 2 . . . . A 34 ARG HG3 . 30659 1 325 . 1 1 41 41 ARG HD2 H 1 2.762 0.03 . 2 . . . . A 34 ARG HD2 . 30659 1 326 . 1 1 41 41 ARG HD3 H 1 2.687 0.03 . 2 . . . . A 34 ARG HD3 . 30659 1 327 . 1 1 41 41 ARG CA C 13 55.420 0.50 . 1 . . . . A 34 ARG CA . 30659 1 328 . 1 1 41 41 ARG CB C 13 29.500 0.50 . 1 . . . . A 34 ARG CB . 30659 1 329 . 1 1 41 41 ARG CG C 13 26.860 0.50 . 1 . . . . A 34 ARG CG . 30659 1 330 . 1 1 41 41 ARG CD C 13 42.660 0.50 . 1 . . . . A 34 ARG CD . 30659 1 331 . 1 1 41 41 ARG N N 15 122.268 0.25 . 1 . . . . A 34 ARG N . 30659 1 332 . 1 1 42 42 VAL H H 1 8.640 0.03 . 1 . . . . A 35 VAL H . 30659 1 333 . 1 1 42 42 VAL HA H 1 4.410 0.03 . 1 . . . . A 35 VAL HA . 30659 1 334 . 1 1 42 42 VAL HB H 1 1.520 0.03 . 1 . . . . A 35 VAL HB . 30659 1 335 . 1 1 42 42 VAL HG11 H 1 0.340 0.03 . 2 . . . . A 35 VAL HG11 . 30659 1 336 . 1 1 42 42 VAL HG12 H 1 0.340 0.03 . 2 . . . . A 35 VAL HG12 . 30659 1 337 . 1 1 42 42 VAL HG13 H 1 0.340 0.03 . 2 . . . . A 35 VAL HG13 . 30659 1 338 . 1 1 42 42 VAL HG21 H 1 -0.910 0.03 . 2 . . . . A 35 VAL HG21 . 30659 1 339 . 1 1 42 42 VAL HG22 H 1 -0.910 0.03 . 2 . . . . A 35 VAL HG22 . 30659 1 340 . 1 1 42 42 VAL HG23 H 1 -0.910 0.03 . 2 . . . . A 35 VAL HG23 . 30659 1 341 . 1 1 42 42 VAL CA C 13 58.590 0.50 . 1 . . . . A 35 VAL CA . 30659 1 342 . 1 1 42 42 VAL CB C 13 35.790 0.50 . 1 . . . . A 35 VAL CB . 30659 1 343 . 1 1 42 42 VAL CG1 C 13 21.310 0.50 . 2 . . . . A 35 VAL CG1 . 30659 1 344 . 1 1 42 42 VAL CG2 C 13 16.690 0.50 . 2 . . . . A 35 VAL CG2 . 30659 1 345 . 1 1 42 42 VAL N N 15 117.797 0.25 . 1 . . . . A 35 VAL N . 30659 1 346 . 1 1 43 43 THR H H 1 6.150 0.03 . 1 . . . . A 36 THR H . 30659 1 347 . 1 1 43 43 THR HA H 1 4.123 0.03 . 1 . . . . A 36 THR HA . 30659 1 348 . 1 1 43 43 THR HB H 1 4.370 0.03 . 1 . . . . A 36 THR HB . 30659 1 349 . 1 1 43 43 THR HG21 H 1 0.963 0.03 . 1 . . . . A 36 THR HG21 . 30659 1 350 . 1 1 43 43 THR HG22 H 1 0.963 0.03 . 1 . . . . A 36 THR HG22 . 30659 1 351 . 1 1 43 43 THR HG23 H 1 0.963 0.03 . 1 . . . . A 36 THR HG23 . 30659 1 352 . 1 1 43 43 THR CA C 13 59.460 0.50 . 1 . . . . A 36 THR CA . 30659 1 353 . 1 1 43 43 THR CB C 13 71.570 0.50 . 1 . . . . A 36 THR CB . 30659 1 354 . 1 1 43 43 THR CG2 C 13 21.750 0.50 . 1 . . . . A 36 THR CG2 . 30659 1 355 . 1 1 43 43 THR N N 15 104.136 0.25 . 1 . . . . A 36 THR N . 30659 1 356 . 1 1 44 44 GLY H H 1 9.125 0.03 . 1 . . . . A 37 GLY H . 30659 1 357 . 1 1 44 44 GLY HA2 H 1 4.325 0.03 . 2 . . . . A 37 GLY HA2 . 30659 1 358 . 1 1 44 44 GLY HA3 H 1 3.935 0.03 . 2 . . . . A 37 GLY HA3 . 30659 1 359 . 1 1 44 44 GLY CA C 13 46.830 0.50 . 1 . . . . A 37 GLY CA . 30659 1 360 . 1 1 44 44 GLY N N 15 105.791 0.25 . 1 . . . . A 37 GLY N . 30659 1 361 . 1 1 45 45 GLU H H 1 7.470 0.03 . 1 . . . . A 38 GLU H . 30659 1 362 . 1 1 45 45 GLU HA H 1 4.290 0.03 . 1 . . . . A 38 GLU HA . 30659 1 363 . 1 1 45 45 GLU HB2 H 1 1.725 0.03 . 2 . . . . A 38 GLU HB2 . 30659 1 364 . 1 1 45 45 GLU HB3 H 1 2.075 0.03 . 2 . . . . A 38 GLU HB3 . 30659 1 365 . 1 1 45 45 GLU HG2 H 1 2.190 0.03 . 2 . . . . A 38 GLU HG2 . 30659 1 366 . 1 1 45 45 GLU CA C 13 55.500 0.50 . 1 . . . . A 38 GLU CA . 30659 1 367 . 1 1 45 45 GLU CB C 13 29.600 0.50 . 1 . . . . A 38 GLU CB . 30659 1 368 . 1 1 45 45 GLU CG C 13 36.210 0.50 . 1 . . . . A 38 GLU CG . 30659 1 369 . 1 1 45 45 GLU N N 15 113.979 0.25 . 1 . . . . A 38 GLU N . 30659 1 370 . 1 1 46 46 VAL H H 1 7.230 0.03 . 1 . . . . A 39 VAL H . 30659 1 371 . 1 1 46 46 VAL HA H 1 3.725 0.03 . 1 . . . . A 39 VAL HA . 30659 1 372 . 1 1 46 46 VAL HB H 1 1.890 0.03 . 1 . . . . A 39 VAL HB . 30659 1 373 . 1 1 46 46 VAL HG11 H 1 0.940 0.03 . 2 . . . . A 39 VAL HG11 . 30659 1 374 . 1 1 46 46 VAL HG12 H 1 0.940 0.03 . 2 . . . . A 39 VAL HG12 . 30659 1 375 . 1 1 46 46 VAL HG13 H 1 0.940 0.03 . 2 . . . . A 39 VAL HG13 . 30659 1 376 . 1 1 46 46 VAL HG21 H 1 0.860 0.03 . 2 . . . . A 39 VAL HG21 . 30659 1 377 . 1 1 46 46 VAL HG22 H 1 0.860 0.03 . 2 . . . . A 39 VAL HG22 . 30659 1 378 . 1 1 46 46 VAL HG23 H 1 0.860 0.03 . 2 . . . . A 39 VAL HG23 . 30659 1 379 . 1 1 46 46 VAL CA C 13 63.400 0.50 . 1 . . . . A 39 VAL CA . 30659 1 380 . 1 1 46 46 VAL CB C 13 31.590 0.50 . 1 . . . . A 39 VAL CB . 30659 1 381 . 1 1 46 46 VAL CG1 C 13 23.150 0.50 . 2 . . . . A 39 VAL CG1 . 30659 1 382 . 1 1 46 46 VAL CG2 C 13 21.310 0.50 . 2 . . . . A 39 VAL CG2 . 30659 1 383 . 1 1 46 46 VAL N N 15 121.802 0.25 . 1 . . . . A 39 VAL N . 30659 1 384 . 1 1 47 47 HIS H H 1 8.395 0.03 . 1 . . . . A 40 HIS H . 30659 1 385 . 1 1 47 47 HIS HA H 1 5.212 0.03 . 1 . . . . A 40 HIS HA . 30659 1 386 . 1 1 47 47 HIS HB2 H 1 3.140 0.03 . 2 . . . . A 40 HIS HB2 . 30659 1 387 . 1 1 47 47 HIS HB3 H 1 3.300 0.03 . 2 . . . . A 40 HIS HB3 . 30659 1 388 . 1 1 47 47 HIS CA C 13 54.660 0.50 . 1 . . . . A 40 HIS CA . 30659 1 389 . 1 1 47 47 HIS CB C 13 30.910 0.50 . 1 . . . . A 40 HIS CB . 30659 1 390 . 1 1 47 47 HIS N N 15 123.388 0.25 . 1 . . . . A 40 HIS N . 30659 1 391 . 1 1 48 48 ILE H H 1 8.743 0.03 . 1 . . . . A 41 ILE H . 30659 1 392 . 1 1 48 48 ILE HA H 1 3.450 0.03 . 1 . . . . A 41 ILE HA . 30659 1 393 . 1 1 48 48 ILE HB H 1 2.364 0.03 . 1 . . . . A 41 ILE HB . 30659 1 394 . 1 1 48 48 ILE HG12 H 1 1.400 0.03 . 2 . . . . A 41 ILE HG12 . 30659 1 395 . 1 1 48 48 ILE HG13 H 1 1.990 0.03 . 2 . . . . A 41 ILE HG13 . 30659 1 396 . 1 1 48 48 ILE HG21 H 1 0.505 0.03 . 1 . . . . A 41 ILE HG21 . 30659 1 397 . 1 1 48 48 ILE HG22 H 1 0.505 0.03 . 1 . . . . A 41 ILE HG22 . 30659 1 398 . 1 1 48 48 ILE HG23 H 1 0.505 0.03 . 1 . . . . A 41 ILE HG23 . 30659 1 399 . 1 1 48 48 ILE HD11 H 1 0.795 0.03 . 1 . . . . A 41 ILE HD11 . 30659 1 400 . 1 1 48 48 ILE HD12 H 1 0.795 0.03 . 1 . . . . A 41 ILE HD12 . 30659 1 401 . 1 1 48 48 ILE HD13 H 1 0.795 0.03 . 1 . . . . A 41 ILE HD13 . 30659 1 402 . 1 1 48 48 ILE CA C 13 62.450 0.50 . 1 . . . . A 41 ILE CA . 30659 1 403 . 1 1 48 48 ILE CB C 13 34.230 0.50 . 1 . . . . A 41 ILE CB . 30659 1 404 . 1 1 48 48 ILE CG1 C 13 27.800 0.50 . 1 . . . . A 41 ILE CG1 . 30659 1 405 . 1 1 48 48 ILE CG2 C 13 9.300 0.50 . 1 . . . . A 41 ILE CG2 . 30659 1 406 . 1 1 48 48 ILE CD1 C 13 17.880 0.50 . 1 . . . . A 41 ILE CD1 . 30659 1 407 . 1 1 48 48 ILE N N 15 124.067 0.25 . 1 . . . . A 41 ILE N . 30659 1 408 . 1 1 49 49 GLY H H 1 9.670 0.03 . 1 . . . . A 42 GLY H . 30659 1 409 . 1 1 49 49 GLY HA2 H 1 3.720 0.03 . 2 . . . . A 42 GLY HA2 . 30659 1 410 . 1 1 49 49 GLY HA3 H 1 3.822 0.03 . 2 . . . . A 42 GLY HA3 . 30659 1 411 . 1 1 49 49 GLY CA C 13 47.150 0.50 . 1 . . . . A 42 GLY CA . 30659 1 412 . 1 1 49 49 GLY N N 15 107.505 0.25 . 1 . . . . A 42 GLY N . 30659 1 413 . 1 1 50 50 GLY HA2 H 1 3.789 0.03 . 2 . . . . A 43 GLY HA2 . 30659 1 414 . 1 1 50 50 GLY HA3 H 1 3.490 0.03 . 2 . . . . A 43 GLY HA3 . 30659 1 415 . 1 1 50 50 GLY CA C 13 47.000 0.50 . 1 . . . . A 43 GLY CA . 30659 1 416 . 1 1 51 51 VAL H H 1 7.770 0.03 . 1 . . . . A 44 VAL H . 30659 1 417 . 1 1 51 51 VAL HA H 1 3.030 0.03 . 1 . . . . A 44 VAL HA . 30659 1 418 . 1 1 51 51 VAL HB H 1 2.135 0.03 . 1 . . . . A 44 VAL HB . 30659 1 419 . 1 1 51 51 VAL HG11 H 1 0.668 0.03 . 2 . . . . A 44 VAL HG11 . 30659 1 420 . 1 1 51 51 VAL HG12 H 1 0.668 0.03 . 2 . . . . A 44 VAL HG12 . 30659 1 421 . 1 1 51 51 VAL HG13 H 1 0.668 0.03 . 2 . . . . A 44 VAL HG13 . 30659 1 422 . 1 1 51 51 VAL HG21 H 1 0.375 0.03 . 2 . . . . A 44 VAL HG21 . 30659 1 423 . 1 1 51 51 VAL HG22 H 1 0.375 0.03 . 2 . . . . A 44 VAL HG22 . 30659 1 424 . 1 1 51 51 VAL HG23 H 1 0.375 0.03 . 2 . . . . A 44 VAL HG23 . 30659 1 425 . 1 1 51 51 VAL CA C 13 66.660 0.50 . 1 . . . . A 44 VAL CA . 30659 1 426 . 1 1 51 51 VAL CB C 13 30.550 0.50 . 1 . . . . A 44 VAL CB . 30659 1 427 . 1 1 51 51 VAL CG1 C 13 23.320 0.50 . 2 . . . . A 44 VAL CG1 . 30659 1 428 . 1 1 51 51 VAL CG2 C 13 21.140 0.50 . 2 . . . . A 44 VAL CG2 . 30659 1 429 . 1 1 51 51 VAL N N 15 122.956 0.25 . 1 . . . . A 44 VAL N . 30659 1 430 . 1 1 52 52 MET HA H 1 3.410 0.03 . 1 . . . . A 45 MET HA . 30659 1 431 . 1 1 52 52 MET HB2 H 1 2.185 0.03 . 2 . . . . A 45 MET HB2 . 30659 1 432 . 1 1 52 52 MET HG2 H 1 2.754 0.03 . 2 . . . . A 45 MET HG2 . 30659 1 433 . 1 1 52 52 MET HE1 H 1 2.282 0.03 . 1 . . . . A 45 MET HE1 . 30659 1 434 . 1 1 52 52 MET HE2 H 1 2.282 0.03 . 1 . . . . A 45 MET HE2 . 30659 1 435 . 1 1 52 52 MET HE3 H 1 2.282 0.03 . 1 . . . . A 45 MET HE3 . 30659 1 436 . 1 1 52 52 MET CA C 13 59.830 0.50 . 1 . . . . A 45 MET CA . 30659 1 437 . 1 1 52 52 MET CB C 13 32.310 0.50 . 1 . . . . A 45 MET CB . 30659 1 438 . 1 1 52 52 MET CG C 13 32.280 0.50 . 1 . . . . A 45 MET CG . 30659 1 439 . 1 1 52 52 MET CE C 13 16.390 0.50 . 1 . . . . A 45 MET CE . 30659 1 440 . 1 1 53 53 LEU H H 1 7.635 0.03 . 1 . . . . A 46 LEU H . 30659 1 441 . 1 1 53 53 LEU HA H 1 3.830 0.03 . 1 . . . . A 46 LEU HA . 30659 1 442 . 1 1 53 53 LEU HB2 H 1 1.615 0.03 . 2 . . . . A 46 LEU HB2 . 30659 1 443 . 1 1 53 53 LEU HB3 H 1 1.508 0.03 . 2 . . . . A 46 LEU HB3 . 30659 1 444 . 1 1 53 53 LEU HG H 1 1.680 0.03 . 1 . . . . A 46 LEU HG . 30659 1 445 . 1 1 53 53 LEU HD11 H 1 0.725 0.03 . 2 . . . . A 46 LEU HD11 . 30659 1 446 . 1 1 53 53 LEU HD12 H 1 0.725 0.03 . 2 . . . . A 46 LEU HD12 . 30659 1 447 . 1 1 53 53 LEU HD13 H 1 0.725 0.03 . 2 . . . . A 46 LEU HD13 . 30659 1 448 . 1 1 53 53 LEU HD21 H 1 0.725 0.03 . 2 . . . . A 46 LEU HD21 . 30659 1 449 . 1 1 53 53 LEU HD22 H 1 0.725 0.03 . 2 . . . . A 46 LEU HD22 . 30659 1 450 . 1 1 53 53 LEU HD23 H 1 0.725 0.03 . 2 . . . . A 46 LEU HD23 . 30659 1 451 . 1 1 53 53 LEU CA C 13 57.950 0.50 . 1 . . . . A 46 LEU CA . 30659 1 452 . 1 1 53 53 LEU CB C 13 41.930 0.50 . 1 . . . . A 46 LEU CB . 30659 1 453 . 1 1 53 53 LEU CG C 13 26.700 0.50 . 1 . . . . A 46 LEU CG . 30659 1 454 . 1 1 53 53 LEU CD1 C 13 24.840 0.50 . 2 . . . . A 46 LEU CD1 . 30659 1 455 . 1 1 53 53 LEU CD2 C 13 23.450 0.50 . 2 . . . . A 46 LEU CD2 . 30659 1 456 . 1 1 53 53 LEU N N 15 117.924 0.25 . 1 . . . . A 46 LEU N . 30659 1 457 . 1 1 54 54 LYS HA H 1 3.825 0.03 . 1 . . . . A 47 LYS HA . 30659 1 458 . 1 1 54 54 LYS HB2 H 1 1.645 0.03 . 2 . . . . A 47 LYS HB2 . 30659 1 459 . 1 1 54 54 LYS HB3 H 1 1.560 0.03 . 2 . . . . A 47 LYS HB3 . 30659 1 460 . 1 1 54 54 LYS HG2 H 1 1.358 0.03 . 2 . . . . A 47 LYS HG2 . 30659 1 461 . 1 1 54 54 LYS HD2 H 1 1.280 0.03 . 2 . . . . A 47 LYS HD2 . 30659 1 462 . 1 1 54 54 LYS HD3 H 1 1.475 0.03 . 2 . . . . A 47 LYS HD3 . 30659 1 463 . 1 1 54 54 LYS HE2 H 1 2.785 0.03 . 2 . . . . A 47 LYS HE2 . 30659 1 464 . 1 1 54 54 LYS CA C 13 57.980 0.50 . 1 . . . . A 47 LYS CA . 30659 1 465 . 1 1 54 54 LYS CB C 13 32.840 0.50 . 1 . . . . A 47 LYS CB . 30659 1 466 . 1 1 54 54 LYS CG C 13 24.970 0.50 . 1 . . . . A 47 LYS CG . 30659 1 467 . 1 1 54 54 LYS CD C 13 28.490 0.50 . 1 . . . . A 47 LYS CD . 30659 1 468 . 1 1 54 54 LYS CE C 13 41.760 0.50 . 1 . . . . A 47 LYS CE . 30659 1 469 . 1 1 55 55 LEU H H 1 8.020 0.03 . 1 . . . . A 48 LEU H . 30659 1 470 . 1 1 55 55 LEU HA H 1 3.570 0.03 . 1 . . . . A 48 LEU HA . 30659 1 471 . 1 1 55 55 LEU HB2 H 1 1.125 0.03 . 2 . . . . A 48 LEU HB2 . 30659 1 472 . 1 1 55 55 LEU HG H 1 0.925 0.03 . 1 . . . . A 48 LEU HG . 30659 1 473 . 1 1 55 55 LEU HD11 H 1 0.140 0.03 . 2 . . . . A 48 LEU HD11 . 30659 1 474 . 1 1 55 55 LEU HD12 H 1 0.140 0.03 . 2 . . . . A 48 LEU HD12 . 30659 1 475 . 1 1 55 55 LEU HD13 H 1 0.140 0.03 . 2 . . . . A 48 LEU HD13 . 30659 1 476 . 1 1 55 55 LEU HD21 H 1 -0.118 0.03 . 2 . . . . A 48 LEU HD21 . 30659 1 477 . 1 1 55 55 LEU HD22 H 1 -0.118 0.03 . 2 . . . . A 48 LEU HD22 . 30659 1 478 . 1 1 55 55 LEU HD23 H 1 -0.118 0.03 . 2 . . . . A 48 LEU HD23 . 30659 1 479 . 1 1 55 55 LEU CA C 13 57.790 0.50 . 1 . . . . A 48 LEU CA . 30659 1 480 . 1 1 55 55 LEU CB C 13 41.590 0.50 . 1 . . . . A 48 LEU CB . 30659 1 481 . 1 1 55 55 LEU CG C 13 26.280 0.50 . 1 . . . . A 48 LEU CG . 30659 1 482 . 1 1 55 55 LEU CD1 C 13 24.350 0.50 . 2 . . . . A 48 LEU CD1 . 30659 1 483 . 1 1 55 55 LEU CD2 C 13 25.390 0.50 . 2 . . . . A 48 LEU CD2 . 30659 1 484 . 1 1 55 55 LEU N N 15 119.324 0.25 . 1 . . . . A 48 LEU N . 30659 1 485 . 1 1 56 56 VAL HA H 1 2.920 0.03 . 1 . . . . A 49 VAL HA . 30659 1 486 . 1 1 56 56 VAL HB H 1 1.940 0.03 . 1 . . . . A 49 VAL HB . 30659 1 487 . 1 1 56 56 VAL HG11 H 1 0.790 0.03 . 2 . . . . A 49 VAL HG11 . 30659 1 488 . 1 1 56 56 VAL HG12 H 1 0.790 0.03 . 2 . . . . A 49 VAL HG12 . 30659 1 489 . 1 1 56 56 VAL HG13 H 1 0.790 0.03 . 2 . . . . A 49 VAL HG13 . 30659 1 490 . 1 1 56 56 VAL HG21 H 1 0.695 0.03 . 2 . . . . A 49 VAL HG21 . 30659 1 491 . 1 1 56 56 VAL HG22 H 1 0.695 0.03 . 2 . . . . A 49 VAL HG22 . 30659 1 492 . 1 1 56 56 VAL HG23 H 1 0.695 0.03 . 2 . . . . A 49 VAL HG23 . 30659 1 493 . 1 1 56 56 VAL CA C 13 66.310 0.50 . 1 . . . . A 49 VAL CA . 30659 1 494 . 1 1 56 56 VAL CB C 13 31.300 0.50 . 1 . . . . A 49 VAL CB . 30659 1 495 . 1 1 56 56 VAL CG1 C 13 21.090 0.50 . 2 . . . . A 49 VAL CG1 . 30659 1 496 . 1 1 56 56 VAL CG2 C 13 21.690 0.50 . 2 . . . . A 49 VAL CG2 . 30659 1 497 . 1 1 57 57 GLU HA H 1 4.000 0.03 . 1 . . . . A 50 GLU HA . 30659 1 498 . 1 1 57 57 GLU HB2 H 1 2.065 0.03 . 2 . . . . A 50 GLU HB2 . 30659 1 499 . 1 1 57 57 GLU HG2 H 1 2.410 0.03 . 2 . . . . A 50 GLU HG2 . 30659 1 500 . 1 1 57 57 GLU HG3 H 1 2.095 0.03 . 2 . . . . A 50 GLU HG3 . 30659 1 501 . 1 1 57 57 GLU CA C 13 58.760 0.50 . 1 . . . . A 50 GLU CA . 30659 1 502 . 1 1 57 57 GLU CB C 13 29.610 0.50 . 1 . . . . A 50 GLU CB . 30659 1 503 . 1 1 57 57 GLU CG C 13 36.580 0.50 . 1 . . . . A 50 GLU CG . 30659 1 504 . 1 1 58 58 LYS H H 1 7.490 0.03 . 1 . . . . A 51 LYS H . 30659 1 505 . 1 1 58 58 LYS HA H 1 4.055 0.03 . 1 . . . . A 51 LYS HA . 30659 1 506 . 1 1 58 58 LYS HB2 H 1 1.770 0.03 . 2 . . . . A 51 LYS HB2 . 30659 1 507 . 1 1 58 58 LYS HG2 H 1 1.350 0.03 . 2 . . . . A 51 LYS HG2 . 30659 1 508 . 1 1 58 58 LYS HG3 H 1 1.500 0.03 . 2 . . . . A 51 LYS HG3 . 30659 1 509 . 1 1 58 58 LYS HD2 H 1 1.500 0.03 . 2 . . . . A 51 LYS HD2 . 30659 1 510 . 1 1 58 58 LYS HD3 H 1 1.358 0.03 . 2 . . . . A 51 LYS HD3 . 30659 1 511 . 1 1 58 58 LYS HE2 H 1 2.887 0.03 . 2 . . . . A 51 LYS HE2 . 30659 1 512 . 1 1 58 58 LYS CA C 13 57.180 0.50 . 1 . . . . A 51 LYS CA . 30659 1 513 . 1 1 58 58 LYS CB C 13 32.400 0.50 . 1 . . . . A 51 LYS CB . 30659 1 514 . 1 1 58 58 LYS CG C 13 24.960 0.50 . 1 . . . . A 51 LYS CG . 30659 1 515 . 1 1 58 58 LYS CD C 13 28.790 0.50 . 1 . . . . A 51 LYS CD . 30659 1 516 . 1 1 58 58 LYS CE C 13 42.000 0.50 . 1 . . . . A 51 LYS CE . 30659 1 517 . 1 1 58 58 LYS N N 15 117.924 0.25 . 1 . . . . A 51 LYS N . 30659 1 518 . 1 1 59 59 LEU HA H 1 4.162 0.03 . 1 . . . . A 52 LEU HA . 30659 1 519 . 1 1 59 59 LEU HB2 H 1 1.170 0.03 . 2 . . . . A 52 LEU HB2 . 30659 1 520 . 1 1 59 59 LEU HG H 1 1.555 0.03 . 1 . . . . A 52 LEU HG . 30659 1 521 . 1 1 59 59 LEU HD11 H 1 0.500 0.03 . 2 . . . . A 52 LEU HD11 . 30659 1 522 . 1 1 59 59 LEU HD12 H 1 0.500 0.03 . 2 . . . . A 52 LEU HD12 . 30659 1 523 . 1 1 59 59 LEU HD13 H 1 0.500 0.03 . 2 . . . . A 52 LEU HD13 . 30659 1 524 . 1 1 59 59 LEU CA C 13 54.860 0.50 . 1 . . . . A 52 LEU CA . 30659 1 525 . 1 1 59 59 LEU CB C 13 42.700 0.50 . 1 . . . . A 52 LEU CB . 30659 1 526 . 1 1 59 59 LEU CG C 13 25.450 0.50 . 1 . . . . A 52 LEU CG . 30659 1 527 . 1 1 59 59 LEU CD1 C 13 22.850 0.50 . 2 . . . . A 52 LEU CD1 . 30659 1 528 . 1 1 60 60 ASP HA H 1 4.425 0.03 . 1 . . . . A 53 ASP HA . 30659 1 529 . 1 1 60 60 ASP HB2 H 1 2.860 0.03 . 2 . . . . A 53 ASP HB2 . 30659 1 530 . 1 1 60 60 ASP HB3 H 1 2.695 0.03 . 2 . . . . A 53 ASP HB3 . 30659 1 531 . 1 1 60 60 ASP CA C 13 54.600 0.50 . 1 . . . . A 53 ASP CA . 30659 1 532 . 1 1 60 60 ASP CB C 13 40.280 0.50 . 1 . . . . A 53 ASP CB . 30659 1 533 . 1 1 61 61 VAL H H 1 8.113 0.03 . 1 . . . . A 54 VAL H . 30659 1 534 . 1 1 61 61 VAL HA H 1 4.286 0.03 . 1 . . . . A 54 VAL HA . 30659 1 535 . 1 1 61 61 VAL HB H 1 2.191 0.03 . 1 . . . . A 54 VAL HB . 30659 1 536 . 1 1 61 61 VAL HG11 H 1 0.856 0.03 . 2 . . . . A 54 VAL HG11 . 30659 1 537 . 1 1 61 61 VAL HG12 H 1 0.856 0.03 . 2 . . . . A 54 VAL HG12 . 30659 1 538 . 1 1 61 61 VAL HG13 H 1 0.856 0.03 . 2 . . . . A 54 VAL HG13 . 30659 1 539 . 1 1 61 61 VAL CA C 13 61.890 0.50 . 1 . . . . A 54 VAL CA . 30659 1 540 . 1 1 61 61 VAL CB C 13 33.280 0.50 . 1 . . . . A 54 VAL CB . 30659 1 541 . 1 1 61 61 VAL CG1 C 13 20.290 0.50 . 2 . . . . A 54 VAL CG1 . 30659 1 542 . 1 1 61 61 VAL N N 15 124.670 0.25 . 1 . . . . A 54 VAL N . 30659 1 543 . 1 1 62 62 LYS HA H 1 4.280 0.03 . 1 . . . . A 55 LYS HA . 30659 1 544 . 1 1 62 62 LYS HB2 H 1 1.661 0.03 . 2 . . . . A 55 LYS HB2 . 30659 1 545 . 1 1 62 62 LYS HG2 H 1 1.355 0.03 . 2 . . . . A 55 LYS HG2 . 30659 1 546 . 1 1 62 62 LYS HG3 H 1 1.235 0.03 . 2 . . . . A 55 LYS HG3 . 30659 1 547 . 1 1 62 62 LYS HD2 H 1 1.565 0.03 . 2 . . . . A 55 LYS HD2 . 30659 1 548 . 1 1 62 62 LYS HE2 H 1 2.870 0.03 . 2 . . . . A 55 LYS HE2 . 30659 1 549 . 1 1 62 62 LYS CA C 13 56.040 0.50 . 1 . . . . A 55 LYS CA . 30659 1 550 . 1 1 62 62 LYS CB C 13 30.990 0.50 . 1 . . . . A 55 LYS CB . 30659 1 551 . 1 1 62 62 LYS CG C 13 24.700 0.50 . 1 . . . . A 55 LYS CG . 30659 1 552 . 1 1 62 62 LYS CD C 13 28.650 0.50 . 1 . . . . A 55 LYS CD . 30659 1 553 . 1 1 62 62 LYS CE C 13 41.870 0.50 . 1 . . . . A 55 LYS CE . 30659 1 554 . 1 1 63 63 LYS HA H 1 3.940 0.03 . 1 . . . . A 56 LYS HA . 30659 1 555 . 1 1 63 63 LYS HB2 H 1 1.072 0.03 . 2 . . . . A 56 LYS HB2 . 30659 1 556 . 1 1 63 63 LYS HD2 H 1 1.090 0.03 . 2 . . . . A 56 LYS HD2 . 30659 1 557 . 1 1 63 63 LYS HE2 H 1 2.341 0.03 . 2 . . . . A 56 LYS HE2 . 30659 1 558 . 1 1 63 63 LYS CA C 13 54.530 0.50 . 1 . . . . A 56 LYS CA . 30659 1 559 . 1 1 63 63 LYS CB C 13 34.440 0.50 . 1 . . . . A 56 LYS CB . 30659 1 560 . 1 1 63 63 LYS CG C 13 24.490 0.50 . 1 . . . . A 56 LYS CG . 30659 1 561 . 1 1 63 63 LYS CD C 13 28.570 0.50 . 1 . . . . A 56 LYS CD . 30659 1 562 . 1 1 63 63 LYS CE C 13 41.850 0.50 . 1 . . . . A 56 LYS CE . 30659 1 563 . 1 1 64 64 ASP H H 1 7.857 0.03 . 1 . . . . A 57 ASP H . 30659 1 564 . 1 1 64 64 ASP HA H 1 4.530 0.03 . 1 . . . . A 57 ASP HA . 30659 1 565 . 1 1 64 64 ASP HB2 H 1 2.593 0.03 . 2 . . . . A 57 ASP HB2 . 30659 1 566 . 1 1 64 64 ASP HB3 H 1 2.350 0.03 . 2 . . . . A 57 ASP HB3 . 30659 1 567 . 1 1 64 64 ASP CA C 13 52.500 0.50 . 1 . . . . A 57 ASP CA . 30659 1 568 . 1 1 64 64 ASP CB C 13 40.320 0.50 . 1 . . . . A 57 ASP CB . 30659 1 569 . 1 1 64 64 ASP N N 15 118.645 0.25 . 1 . . . . A 57 ASP N . 30659 1 570 . 1 1 65 65 TRP HA H 1 4.540 0.03 . 1 . . . . A 58 TRP HA . 30659 1 571 . 1 1 65 65 TRP HB2 H 1 3.479 0.03 . 2 . . . . A 58 TRP HB2 . 30659 1 572 . 1 1 65 65 TRP HB3 H 1 2.910 0.03 . 2 . . . . A 58 TRP HB3 . 30659 1 573 . 1 1 65 65 TRP CA C 13 52.860 0.50 . 1 . . . . A 58 TRP CA . 30659 1 574 . 1 1 65 65 TRP CB C 13 29.420 0.50 . 1 . . . . A 58 TRP CB . 30659 1 575 . 1 1 66 66 SER H H 1 8.640 0.03 . 1 . . . . A 59 SER H . 30659 1 576 . 1 1 66 66 SER HA H 1 4.048 0.03 . 1 . . . . A 59 SER HA . 30659 1 577 . 1 1 66 66 SER HB2 H 1 3.965 0.03 . 2 . . . . A 59 SER HB2 . 30659 1 578 . 1 1 66 66 SER HB3 H 1 3.948 0.03 . 2 . . . . A 59 SER HB3 . 30659 1 579 . 1 1 66 66 SER CA C 13 62.350 0.50 . 1 . . . . A 59 SER CA . 30659 1 580 . 1 1 66 66 SER CB C 13 63.110 0.50 . 1 . . . . A 59 SER CB . 30659 1 581 . 1 1 66 66 SER N N 15 117.729 0.25 . 1 . . . . A 59 SER N . 30659 1 582 . 1 1 67 67 ASP H H 1 8.965 0.03 . 1 . . . . A 60 ASP H . 30659 1 583 . 1 1 67 67 ASP HA H 1 4.885 0.03 . 1 . . . . A 60 ASP HA . 30659 1 584 . 1 1 67 67 ASP HB2 H 1 2.540 0.03 . 2 . . . . A 60 ASP HB2 . 30659 1 585 . 1 1 67 67 ASP CA C 13 53.550 0.50 . 1 . . . . A 60 ASP CA . 30659 1 586 . 1 1 67 67 ASP CB C 13 42.560 0.50 . 1 . . . . A 60 ASP CB . 30659 1 587 . 1 1 67 67 ASP N N 15 121.038 0.25 . 1 . . . . A 60 ASP N . 30659 1 588 . 1 1 68 68 HIS H H 1 7.913 0.03 . 1 . . . . A 61 HIS H . 30659 1 589 . 1 1 68 68 HIS HA H 1 4.295 0.03 . 1 . . . . A 61 HIS HA . 30659 1 590 . 1 1 68 68 HIS HB2 H 1 2.675 0.03 . 2 . . . . A 61 HIS HB2 . 30659 1 591 . 1 1 68 68 HIS HB3 H 1 0.829 0.03 . 2 . . . . A 61 HIS HB3 . 30659 1 592 . 1 1 68 68 HIS CA C 13 56.860 0.50 . 1 . . . . A 61 HIS CA . 30659 1 593 . 1 1 68 68 HIS CB C 13 30.500 0.50 . 1 . . . . A 61 HIS CB . 30659 1 594 . 1 1 68 68 HIS N N 15 121.530 0.25 . 1 . . . . A 61 HIS N . 30659 1 595 . 1 1 69 69 ALA H H 1 8.620 0.03 . 1 . . . . A 62 ALA H . 30659 1 596 . 1 1 69 69 ALA HA H 1 3.622 0.03 . 1 . . . . A 62 ALA HA . 30659 1 597 . 1 1 69 69 ALA HB1 H 1 1.370 0.03 . 1 . . . . A 62 ALA HB1 . 30659 1 598 . 1 1 69 69 ALA HB2 H 1 1.370 0.03 . 1 . . . . A 62 ALA HB2 . 30659 1 599 . 1 1 69 69 ALA HB3 H 1 1.370 0.03 . 1 . . . . A 62 ALA HB3 . 30659 1 600 . 1 1 69 69 ALA CA C 13 51.026 0.50 . 1 . . . . A 62 ALA CA . 30659 1 601 . 1 1 69 69 ALA CB C 13 23.280 0.50 . 1 . . . . A 62 ALA CB . 30659 1 602 . 1 1 69 69 ALA N N 15 122.260 0.25 . 1 . . . . A 62 ALA N . 30659 1 603 . 1 1 70 70 LEU H H 1 9.075 0.03 . 1 . . . . A 63 LEU H . 30659 1 604 . 1 1 70 70 LEU HA H 1 5.654 0.03 . 1 . . . . A 63 LEU HA . 30659 1 605 . 1 1 70 70 LEU HB2 H 1 2.075 0.03 . 2 . . . . A 63 LEU HB2 . 30659 1 606 . 1 1 70 70 LEU HB3 H 1 1.140 0.03 . 2 . . . . A 63 LEU HB3 . 30659 1 607 . 1 1 70 70 LEU HG H 1 1.770 0.03 . 1 . . . . A 63 LEU HG . 30659 1 608 . 1 1 70 70 LEU HD11 H 1 0.633 0.03 . 2 . . . . A 63 LEU HD11 . 30659 1 609 . 1 1 70 70 LEU HD12 H 1 0.633 0.03 . 2 . . . . A 63 LEU HD12 . 30659 1 610 . 1 1 70 70 LEU HD13 H 1 0.633 0.03 . 2 . . . . A 63 LEU HD13 . 30659 1 611 . 1 1 70 70 LEU HD21 H 1 0.765 0.03 . 2 . . . . A 63 LEU HD21 . 30659 1 612 . 1 1 70 70 LEU HD22 H 1 0.765 0.03 . 2 . . . . A 63 LEU HD22 . 30659 1 613 . 1 1 70 70 LEU HD23 H 1 0.765 0.03 . 2 . . . . A 63 LEU HD23 . 30659 1 614 . 1 1 70 70 LEU CA C 13 53.930 0.50 . 1 . . . . A 63 LEU CA . 30659 1 615 . 1 1 70 70 LEU CB C 13 44.300 0.50 . 1 . . . . A 63 LEU CB . 30659 1 616 . 1 1 70 70 LEU CG C 13 26.910 0.50 . 1 . . . . A 63 LEU CG . 30659 1 617 . 1 1 70 70 LEU CD1 C 13 23.750 0.50 . 2 . . . . A 63 LEU CD1 . 30659 1 618 . 1 1 70 70 LEU CD2 C 13 26.130 0.50 . 2 . . . . A 63 LEU CD2 . 30659 1 619 . 1 1 70 70 LEU N N 15 119.553 0.25 . 1 . . . . A 63 LEU N . 30659 1 620 . 1 1 71 71 TRP H H 1 9.590 0.03 . 1 . . . . A 64 TRP H . 30659 1 621 . 1 1 71 71 TRP HA H 1 5.235 0.03 . 1 . . . . A 64 TRP HA . 30659 1 622 . 1 1 71 71 TRP HB2 H 1 2.550 0.03 . 2 . . . . A 64 TRP HB2 . 30659 1 623 . 1 1 71 71 TRP HB3 H 1 2.168 0.03 . 2 . . . . A 64 TRP HB3 . 30659 1 624 . 1 1 71 71 TRP HE1 H 1 10.365 0.03 . 1 . . . . A 64 TRP HE1 . 30659 1 625 . 1 1 71 71 TRP CA C 13 56.220 0.50 . 1 . . . . A 64 TRP CA . 30659 1 626 . 1 1 71 71 TRP CB C 13 32.210 0.50 . 1 . . . . A 64 TRP CB . 30659 1 627 . 1 1 71 71 TRP N N 15 125.348 0.25 . 1 . . . . A 64 TRP N . 30659 1 628 . 1 1 71 71 TRP NE1 N 15 128.827 0.25 . 1 . . . . A 64 TRP NE1 . 30659 1 629 . 1 1 72 72 TRP H H 1 8.252 0.03 . 1 . . . . A 65 TRP H . 30659 1 630 . 1 1 72 72 TRP HA H 1 4.980 0.03 . 1 . . . . A 65 TRP HA . 30659 1 631 . 1 1 72 72 TRP HB2 H 1 3.210 0.03 . 2 . . . . A 65 TRP HB2 . 30659 1 632 . 1 1 72 72 TRP HB3 H 1 3.140 0.03 . 2 . . . . A 65 TRP HB3 . 30659 1 633 . 1 1 72 72 TRP HE1 H 1 10.280 0.03 . 1 . . . . A 65 TRP HE1 . 30659 1 634 . 1 1 72 72 TRP CA C 13 51.440 0.50 . 1 . . . . A 65 TRP CA . 30659 1 635 . 1 1 72 72 TRP CB C 13 30.490 0.50 . 1 . . . . A 65 TRP CB . 30659 1 636 . 1 1 72 72 TRP N N 15 129.888 0.25 . 1 . . . . A 65 TRP N . 30659 1 637 . 1 1 72 72 TRP NE1 N 15 127.665 0.25 . 1 . . . . A 65 TRP NE1 . 30659 1 638 . 1 1 73 73 GLU H H 1 8.899 0.03 . 1 . . . . A 66 GLU H . 30659 1 639 . 1 1 73 73 GLU HA H 1 3.250 0.03 . 1 . . . . A 66 GLU HA . 30659 1 640 . 1 1 73 73 GLU HB2 H 1 2.160 0.03 . 2 . . . . A 66 GLU HB2 . 30659 1 641 . 1 1 73 73 GLU HB3 H 1 2.010 0.03 . 2 . . . . A 66 GLU HB3 . 30659 1 642 . 1 1 73 73 GLU HG2 H 1 2.220 0.03 . 2 . . . . A 66 GLU HG2 . 30659 1 643 . 1 1 73 73 GLU HG3 H 1 2.110 0.03 . 2 . . . . A 66 GLU HG3 . 30659 1 644 . 1 1 73 73 GLU CA C 13 59.920 0.50 . 1 . . . . A 66 GLU CA . 30659 1 645 . 1 1 73 73 GLU CB C 13 29.060 0.50 . 1 . . . . A 66 GLU CB . 30659 1 646 . 1 1 73 73 GLU CG C 13 35.110 0.50 . 1 . . . . A 66 GLU CG . 30659 1 647 . 1 1 73 73 GLU N N 15 128.997 0.25 . 1 . . . . A 66 GLU N . 30659 1 648 . 1 1 74 74 LYS H H 1 7.810 0.03 . 1 . . . . A 67 LYS H . 30659 1 649 . 1 1 74 74 LYS HA H 1 3.657 0.03 . 1 . . . . A 67 LYS HA . 30659 1 650 . 1 1 74 74 LYS HB2 H 1 1.694 0.03 . 2 . . . . A 67 LYS HB2 . 30659 1 651 . 1 1 74 74 LYS HB3 H 1 0.841 0.03 . 2 . . . . A 67 LYS HB3 . 30659 1 652 . 1 1 74 74 LYS HG2 H 1 0.988 0.03 . 2 . . . . A 67 LYS HG2 . 30659 1 653 . 1 1 74 74 LYS HG3 H 1 1.180 0.03 . 2 . . . . A 67 LYS HG3 . 30659 1 654 . 1 1 74 74 LYS HD2 H 1 1.491 0.03 . 2 . . . . A 67 LYS HD2 . 30659 1 655 . 1 1 74 74 LYS HE2 H 1 2.810 0.03 . 2 . . . . A 67 LYS HE2 . 30659 1 656 . 1 1 74 74 LYS CA C 13 58.660 0.50 . 1 . . . . A 67 LYS CA . 30659 1 657 . 1 1 74 74 LYS CB C 13 32.540 0.50 . 1 . . . . A 67 LYS CB . 30659 1 658 . 1 1 74 74 LYS CG C 13 24.550 0.50 . 1 . . . . A 67 LYS CG . 30659 1 659 . 1 1 74 74 LYS CD C 13 28.920 0.50 . 1 . . . . A 67 LYS CD . 30659 1 660 . 1 1 74 74 LYS CE C 13 41.740 0.50 . 1 . . . . A 67 LYS CE . 30659 1 661 . 1 1 74 74 LYS N N 15 117.373 0.25 . 1 . . . . A 67 LYS N . 30659 1 662 . 1 1 75 75 LYS H H 1 7.445 0.03 . 1 . . . . A 68 LYS H . 30659 1 663 . 1 1 75 75 LYS HA H 1 3.895 0.03 . 1 . . . . A 68 LYS HA . 30659 1 664 . 1 1 75 75 LYS HB2 H 1 1.345 0.03 . 2 . . . . A 68 LYS HB2 . 30659 1 665 . 1 1 75 75 LYS HB3 H 1 0.121 0.03 . 2 . . . . A 68 LYS HB3 . 30659 1 666 . 1 1 75 75 LYS HG2 H 1 -0.100 0.03 . 2 . . . . A 68 LYS HG2 . 30659 1 667 . 1 1 75 75 LYS HG3 H 1 -0.155 0.03 . 2 . . . . A 68 LYS HG3 . 30659 1 668 . 1 1 75 75 LYS HD2 H 1 0.980 0.03 . 2 . . . . A 68 LYS HD2 . 30659 1 669 . 1 1 75 75 LYS HE2 H 1 2.545 0.03 . 2 . . . . A 68 LYS HE2 . 30659 1 670 . 1 1 75 75 LYS HE3 H 1 2.480 0.03 . 2 . . . . A 68 LYS HE3 . 30659 1 671 . 1 1 75 75 LYS CA C 13 53.140 0.50 . 1 . . . . A 68 LYS CA . 30659 1 672 . 1 1 75 75 LYS CB C 13 32.200 0.50 . 1 . . . . A 68 LYS CB . 30659 1 673 . 1 1 75 75 LYS CG C 13 23.650 0.50 . 1 . . . . A 68 LYS CG . 30659 1 674 . 1 1 75 75 LYS CD C 13 27.770 0.50 . 1 . . . . A 68 LYS CD . 30659 1 675 . 1 1 75 75 LYS CE C 13 41.600 0.50 . 1 . . . . A 68 LYS CE . 30659 1 676 . 1 1 75 75 LYS N N 15 121.191 0.25 . 1 . . . . A 68 LYS N . 30659 1 677 . 1 1 76 76 ARG H H 1 7.445 0.03 . 1 . . . . A 69 ARG H . 30659 1 678 . 1 1 76 76 ARG HA H 1 2.810 0.03 . 1 . . . . A 69 ARG HA . 30659 1 679 . 1 1 76 76 ARG HB2 H 1 1.770 0.03 . 2 . . . . A 69 ARG HB2 . 30659 1 680 . 1 1 76 76 ARG HB3 H 1 1.520 0.03 . 2 . . . . A 69 ARG HB3 . 30659 1 681 . 1 1 76 76 ARG HD2 H 1 3.165 0.03 . 2 . . . . A 69 ARG HD2 . 30659 1 682 . 1 1 76 76 ARG CA C 13 56.316 0.50 . 1 . . . . A 69 ARG CA . 30659 1 683 . 1 1 76 76 ARG CB C 13 27.090 0.50 . 1 . . . . A 69 ARG CB . 30659 1 684 . 1 1 76 76 ARG CD C 13 43.120 0.50 . 1 . . . . A 69 ARG CD . 30659 1 685 . 1 1 76 76 ARG N N 15 121.191 0.25 . 1 . . . . A 69 ARG N . 30659 1 686 . 1 1 77 77 THR H H 1 6.230 0.03 . 1 . . . . A 70 THR H . 30659 1 687 . 1 1 77 77 THR HA H 1 4.545 0.03 . 1 . . . . A 70 THR HA . 30659 1 688 . 1 1 77 77 THR HB H 1 3.540 0.03 . 1 . . . . A 70 THR HB . 30659 1 689 . 1 1 77 77 THR HG21 H 1 1.085 0.03 . 1 . . . . A 70 THR HG21 . 30659 1 690 . 1 1 77 77 THR HG22 H 1 1.085 0.03 . 1 . . . . A 70 THR HG22 . 30659 1 691 . 1 1 77 77 THR HG23 H 1 1.085 0.03 . 1 . . . . A 70 THR HG23 . 30659 1 692 . 1 1 77 77 THR CA C 13 61.630 0.50 . 1 . . . . A 70 THR CA . 30659 1 693 . 1 1 77 77 THR CB C 13 72.350 0.50 . 1 . . . . A 70 THR CB . 30659 1 694 . 1 1 77 77 THR CG2 C 13 20.190 0.50 . 1 . . . . A 70 THR CG2 . 30659 1 695 . 1 1 77 77 THR N N 15 110.475 0.25 . 1 . . . . A 70 THR N . 30659 1 696 . 1 1 78 78 TRP H H 1 8.805 0.03 . 1 . . . . A 71 TRP H . 30659 1 697 . 1 1 78 78 TRP HA H 1 4.750 0.03 . 1 . . . . A 71 TRP HA . 30659 1 698 . 1 1 78 78 TRP HB2 H 1 3.222 0.03 . 2 . . . . A 71 TRP HB2 . 30659 1 699 . 1 1 78 78 TRP HB3 H 1 3.135 0.03 . 2 . . . . A 71 TRP HB3 . 30659 1 700 . 1 1 78 78 TRP HE1 H 1 9.990 0.03 . 1 . . . . A 71 TRP HE1 . 30659 1 701 . 1 1 78 78 TRP CA C 13 56.240 0.50 . 1 . . . . A 71 TRP CA . 30659 1 702 . 1 1 78 78 TRP CB C 13 30.500 0.50 . 1 . . . . A 71 TRP CB . 30659 1 703 . 1 1 78 78 TRP N N 15 127.096 0.25 . 1 . . . . A 71 TRP N . 30659 1 704 . 1 1 78 78 TRP NE1 N 15 130.355 0.25 . 1 . . . . A 71 TRP NE1 . 30659 1 705 . 1 1 79 79 LEU H H 1 9.175 0.03 . 1 . . . . A 72 LEU H . 30659 1 706 . 1 1 79 79 LEU HA H 1 4.435 0.03 . 1 . . . . A 72 LEU HA . 30659 1 707 . 1 1 79 79 LEU HB2 H 1 1.855 0.03 . 2 . . . . A 72 LEU HB2 . 30659 1 708 . 1 1 79 79 LEU HB3 H 1 0.710 0.03 . 2 . . . . A 72 LEU HB3 . 30659 1 709 . 1 1 79 79 LEU HG H 1 1.191 0.03 . 1 . . . . A 72 LEU HG . 30659 1 710 . 1 1 79 79 LEU HD11 H 1 0.367 0.03 . 2 . . . . A 72 LEU HD11 . 30659 1 711 . 1 1 79 79 LEU HD12 H 1 0.367 0.03 . 2 . . . . A 72 LEU HD12 . 30659 1 712 . 1 1 79 79 LEU HD13 H 1 0.367 0.03 . 2 . . . . A 72 LEU HD13 . 30659 1 713 . 1 1 79 79 LEU HD21 H 1 -0.040 0.03 . 2 . . . . A 72 LEU HD21 . 30659 1 714 . 1 1 79 79 LEU HD22 H 1 -0.040 0.03 . 2 . . . . A 72 LEU HD22 . 30659 1 715 . 1 1 79 79 LEU HD23 H 1 -0.040 0.03 . 2 . . . . A 72 LEU HD23 . 30659 1 716 . 1 1 79 79 LEU CA C 13 52.250 0.50 . 1 . . . . A 72 LEU CA . 30659 1 717 . 1 1 79 79 LEU CB C 13 38.240 0.50 . 1 . . . . A 72 LEU CB . 30659 1 718 . 1 1 79 79 LEU CG C 13 25.290 0.50 . 1 . . . . A 72 LEU CG . 30659 1 719 . 1 1 79 79 LEU CD1 C 13 26.840 0.50 . 2 . . . . A 72 LEU CD1 . 30659 1 720 . 1 1 79 79 LEU CD2 C 13 21.850 0.50 . 2 . . . . A 72 LEU CD2 . 30659 1 721 . 1 1 79 79 LEU N N 15 125.425 0.25 . 1 . . . . A 72 LEU N . 30659 1 722 . 1 1 80 80 LEU H H 1 7.230 0.03 . 1 . . . . A 73 LEU H . 30659 1 723 . 1 1 80 80 LEU HA H 1 4.324 0.03 . 1 . . . . A 73 LEU HA . 30659 1 724 . 1 1 80 80 LEU HB2 H 1 1.610 0.03 . 2 . . . . A 73 LEU HB2 . 30659 1 725 . 1 1 80 80 LEU HG H 1 1.584 0.03 . 1 . . . . A 73 LEU HG . 30659 1 726 . 1 1 80 80 LEU HD11 H 1 0.790 0.03 . 2 . . . . A 73 LEU HD11 . 30659 1 727 . 1 1 80 80 LEU HD12 H 1 0.790 0.03 . 2 . . . . A 73 LEU HD12 . 30659 1 728 . 1 1 80 80 LEU HD13 H 1 0.790 0.03 . 2 . . . . A 73 LEU HD13 . 30659 1 729 . 1 1 80 80 LEU HD21 H 1 0.660 0.03 . 2 . . . . A 73 LEU HD21 . 30659 1 730 . 1 1 80 80 LEU HD22 H 1 0.660 0.03 . 2 . . . . A 73 LEU HD22 . 30659 1 731 . 1 1 80 80 LEU HD23 H 1 0.660 0.03 . 2 . . . . A 73 LEU HD23 . 30659 1 732 . 1 1 80 80 LEU CA C 13 54.700 0.50 . 1 . . . . A 73 LEU CA . 30659 1 733 . 1 1 80 80 LEU CB C 13 42.170 0.50 . 1 . . . . A 73 LEU CB . 30659 1 734 . 1 1 80 80 LEU CG C 13 26.550 0.50 . 1 . . . . A 73 LEU CG . 30659 1 735 . 1 1 80 80 LEU CD1 C 13 24.950 0.50 . 2 . . . . A 73 LEU CD1 . 30659 1 736 . 1 1 80 80 LEU CD2 C 13 21.770 0.50 . 2 . . . . A 73 LEU CD2 . 30659 1 737 . 1 1 80 80 LEU N N 15 118.951 0.25 . 1 . . . . A 73 LEU N . 30659 1 738 . 1 1 81 81 LYS H H 1 7.885 0.03 . 1 . . . . A 74 LYS H . 30659 1 739 . 1 1 81 81 LYS HA H 1 4.357 0.03 . 1 . . . . A 74 LYS HA . 30659 1 740 . 1 1 81 81 LYS HB2 H 1 1.237 0.03 . 2 . . . . A 74 LYS HB2 . 30659 1 741 . 1 1 81 81 LYS HG2 H 1 1.253 0.03 . 2 . . . . A 74 LYS HG2 . 30659 1 742 . 1 1 81 81 LYS HG3 H 1 0.265 0.03 . 2 . . . . A 74 LYS HG3 . 30659 1 743 . 1 1 81 81 LYS HD2 H 1 0.570 0.03 . 2 . . . . A 74 LYS HD2 . 30659 1 744 . 1 1 81 81 LYS HD3 H 1 0.105 0.03 . 2 . . . . A 74 LYS HD3 . 30659 1 745 . 1 1 81 81 LYS HE2 H 1 2.465 0.03 . 2 . . . . A 74 LYS HE2 . 30659 1 746 . 1 1 81 81 LYS HE3 H 1 2.410 0.03 . 2 . . . . A 74 LYS HE3 . 30659 1 747 . 1 1 81 81 LYS CA C 13 54.660 0.50 . 1 . . . . A 74 LYS CA . 30659 1 748 . 1 1 81 81 LYS CB C 13 29.090 0.50 . 1 . . . . A 74 LYS CB . 30659 1 749 . 1 1 81 81 LYS CG C 13 23.470 0.50 . 1 . . . . A 74 LYS CG . 30659 1 750 . 1 1 81 81 LYS CD C 13 27.900 0.50 . 1 . . . . A 74 LYS CD . 30659 1 751 . 1 1 81 81 LYS CE C 13 42.020 0.50 . 1 . . . . A 74 LYS CE . 30659 1 752 . 1 1 81 81 LYS N N 15 119.553 0.25 . 1 . . . . A 74 LYS N . 30659 1 753 . 1 1 82 82 THR HA H 1 3.769 0.03 . 1 . . . . A 75 THR HA . 30659 1 754 . 1 1 82 82 THR HB H 1 4.194 0.03 . 1 . . . . A 75 THR HB . 30659 1 755 . 1 1 82 82 THR HG21 H 1 1.175 0.03 . 1 . . . . A 75 THR HG21 . 30659 1 756 . 1 1 82 82 THR HG22 H 1 1.175 0.03 . 1 . . . . A 75 THR HG22 . 30659 1 757 . 1 1 82 82 THR HG23 H 1 1.175 0.03 . 1 . . . . A 75 THR HG23 . 30659 1 758 . 1 1 82 82 THR CA C 13 64.650 0.50 . 1 . . . . A 75 THR CA . 30659 1 759 . 1 1 82 82 THR CB C 13 68.260 0.50 . 1 . . . . A 75 THR CB . 30659 1 760 . 1 1 82 82 THR CG2 C 13 23.080 0.50 . 1 . . . . A 75 THR CG2 . 30659 1 761 . 1 1 83 83 HIS H H 1 8.835 0.03 . 1 . . . . A 76 HIS H . 30659 1 762 . 1 1 83 83 HIS HA H 1 4.773 0.03 . 1 . . . . A 76 HIS HA . 30659 1 763 . 1 1 83 83 HIS HB2 H 1 3.305 0.03 . 2 . . . . A 76 HIS HB2 . 30659 1 764 . 1 1 83 83 HIS HB3 H 1 3.047 0.03 . 2 . . . . A 76 HIS HB3 . 30659 1 765 . 1 1 83 83 HIS CA C 13 56.612 0.50 . 1 . . . . A 76 HIS CA . 30659 1 766 . 1 1 83 83 HIS CB C 13 30.210 0.50 . 1 . . . . A 76 HIS CB . 30659 1 767 . 1 1 83 83 HIS N N 15 117.118 0.25 . 1 . . . . A 76 HIS N . 30659 1 768 . 1 1 84 84 TRP H H 1 7.533 0.03 . 1 . . . . A 77 TRP H . 30659 1 769 . 1 1 84 84 TRP HA H 1 4.733 0.03 . 1 . . . . A 77 TRP HA . 30659 1 770 . 1 1 84 84 TRP HB2 H 1 3.430 0.03 . 2 . . . . A 77 TRP HB2 . 30659 1 771 . 1 1 84 84 TRP HB3 H 1 2.854 0.03 . 2 . . . . A 77 TRP HB3 . 30659 1 772 . 1 1 84 84 TRP HE1 H 1 10.100 0.03 . 1 . . . . A 77 TRP HE1 . 30659 1 773 . 1 1 84 84 TRP CA C 13 57.850 0.50 . 1 . . . . A 77 TRP CA . 30659 1 774 . 1 1 84 84 TRP CB C 13 30.390 0.50 . 1 . . . . A 77 TRP CB . 30659 1 775 . 1 1 84 84 TRP N N 15 123.032 0.25 . 1 . . . . A 77 TRP N . 30659 1 776 . 1 1 84 84 TRP NE1 N 15 127.198 0.25 . 1 . . . . A 77 TRP NE1 . 30659 1 777 . 1 1 85 85 THR H H 1 6.970 0.03 . 1 . . . . A 78 THR H . 30659 1 778 . 1 1 85 85 THR HA H 1 4.900 0.03 . 1 . . . . A 78 THR HA . 30659 1 779 . 1 1 85 85 THR HB H 1 5.000 0.03 . 1 . . . . A 78 THR HB . 30659 1 780 . 1 1 85 85 THR HG21 H 1 1.105 0.03 . 1 . . . . A 78 THR HG21 . 30659 1 781 . 1 1 85 85 THR HG22 H 1 1.105 0.03 . 1 . . . . A 78 THR HG22 . 30659 1 782 . 1 1 85 85 THR HG23 H 1 1.105 0.03 . 1 . . . . A 78 THR HG23 . 30659 1 783 . 1 1 85 85 THR CA C 13 59.500 0.50 . 1 . . . . A 78 THR CA . 30659 1 784 . 1 1 85 85 THR CB C 13 70.600 0.50 . 1 . . . . A 78 THR CB . 30659 1 785 . 1 1 85 85 THR CG2 C 13 22.230 0.50 . 1 . . . . A 78 THR CG2 . 30659 1 786 . 1 1 85 85 THR N N 15 108.099 0.25 . 1 . . . . A 78 THR N . 30659 1 787 . 1 1 86 86 LEU H H 1 8.020 0.03 . 1 . . . . A 79 LEU H . 30659 1 788 . 1 1 86 86 LEU HA H 1 3.975 0.03 . 1 . . . . A 79 LEU HA . 30659 1 789 . 1 1 86 86 LEU HB2 H 1 2.060 0.03 . 2 . . . . A 79 LEU HB2 . 30659 1 790 . 1 1 86 86 LEU HB3 H 1 1.635 0.03 . 2 . . . . A 79 LEU HB3 . 30659 1 791 . 1 1 86 86 LEU HG H 1 1.680 0.03 . 1 . . . . A 79 LEU HG . 30659 1 792 . 1 1 86 86 LEU HD11 H 1 0.515 0.03 . 2 . . . . A 79 LEU HD11 . 30659 1 793 . 1 1 86 86 LEU HD12 H 1 0.515 0.03 . 2 . . . . A 79 LEU HD12 . 30659 1 794 . 1 1 86 86 LEU HD13 H 1 0.515 0.03 . 2 . . . . A 79 LEU HD13 . 30659 1 795 . 1 1 86 86 LEU HD21 H 1 0.575 0.03 . 2 . . . . A 79 LEU HD21 . 30659 1 796 . 1 1 86 86 LEU HD22 H 1 0.575 0.03 . 2 . . . . A 79 LEU HD22 . 30659 1 797 . 1 1 86 86 LEU HD23 H 1 0.575 0.03 . 2 . . . . A 79 LEU HD23 . 30659 1 798 . 1 1 86 86 LEU CA C 13 58.750 0.50 . 1 . . . . A 79 LEU CA . 30659 1 799 . 1 1 86 86 LEU CB C 13 40.450 0.50 . 1 . . . . A 79 LEU CB . 30659 1 800 . 1 1 86 86 LEU CG C 13 26.420 0.50 . 1 . . . . A 79 LEU CG . 30659 1 801 . 1 1 86 86 LEU CD1 C 13 22.950 0.50 . 2 . . . . A 79 LEU CD1 . 30659 1 802 . 1 1 86 86 LEU CD2 C 13 26.310 0.50 . 2 . . . . A 79 LEU CD2 . 30659 1 803 . 1 1 86 86 LEU N N 15 119.324 0.25 . 1 . . . . A 79 LEU N . 30659 1 804 . 1 1 87 87 ASP H H 1 8.875 0.03 . 1 . . . . A 80 ASP H . 30659 1 805 . 1 1 87 87 ASP HA H 1 4.385 0.03 . 1 . . . . A 80 ASP HA . 30659 1 806 . 1 1 87 87 ASP HB2 H 1 2.415 0.03 . 2 . . . . A 80 ASP HB2 . 30659 1 807 . 1 1 87 87 ASP HB3 H 1 2.350 0.03 . 2 . . . . A 80 ASP HB3 . 30659 1 808 . 1 1 87 87 ASP CA C 13 57.320 0.50 . 1 . . . . A 80 ASP CA . 30659 1 809 . 1 1 87 87 ASP CB C 13 40.320 0.50 . 1 . . . . A 80 ASP CB . 30659 1 810 . 1 1 87 87 ASP N N 15 118.408 0.25 . 1 . . . . A 80 ASP N . 30659 1 811 . 1 1 88 88 LYS H H 1 8.075 0.03 . 1 . . . . A 81 LYS H . 30659 1 812 . 1 1 88 88 LYS HA H 1 3.650 0.03 . 1 . . . . A 81 LYS HA . 30659 1 813 . 1 1 88 88 LYS HB2 H 1 1.420 0.03 . 2 . . . . A 81 LYS HB2 . 30659 1 814 . 1 1 88 88 LYS HG2 H 1 0.145 0.03 . 2 . . . . A 81 LYS HG2 . 30659 1 815 . 1 1 88 88 LYS HG3 H 1 0.470 0.03 . 2 . . . . A 81 LYS HG3 . 30659 1 816 . 1 1 88 88 LYS HD2 H 1 0.904 0.03 . 2 . . . . A 81 LYS HD2 . 30659 1 817 . 1 1 88 88 LYS HD3 H 1 0.374 0.03 . 2 . . . . A 81 LYS HD3 . 30659 1 818 . 1 1 88 88 LYS HE2 H 1 2.936 0.03 . 2 . . . . A 81 LYS HE2 . 30659 1 819 . 1 1 88 88 LYS CA C 13 59.020 0.50 . 1 . . . . A 81 LYS CA . 30659 1 820 . 1 1 88 88 LYS CB C 13 31.680 0.50 . 1 . . . . A 81 LYS CB . 30659 1 821 . 1 1 88 88 LYS CG C 13 24.360 0.50 . 1 . . . . A 81 LYS CG . 30659 1 822 . 1 1 88 88 LYS CD C 13 28.200 0.50 . 1 . . . . A 81 LYS CD . 30659 1 823 . 1 1 88 88 LYS CE C 13 42.000 0.50 . 1 . . . . A 81 LYS CE . 30659 1 824 . 1 1 88 88 LYS N N 15 123.304 0.25 . 1 . . . . A 81 LYS N . 30659 1 825 . 1 1 89 89 TYR H H 1 7.615 0.03 . 1 . . . . A 82 TYR H . 30659 1 826 . 1 1 89 89 TYR HA H 1 4.533 0.03 . 1 . . . . A 82 TYR HA . 30659 1 827 . 1 1 89 89 TYR HB2 H 1 3.197 0.03 . 2 . . . . A 82 TYR HB2 . 30659 1 828 . 1 1 89 89 TYR HB3 H 1 2.778 0.03 . 2 . . . . A 82 TYR HB3 . 30659 1 829 . 1 1 89 89 TYR CA C 13 61.750 0.50 . 1 . . . . A 82 TYR CA . 30659 1 830 . 1 1 89 89 TYR CB C 13 40.550 0.50 . 1 . . . . A 82 TYR CB . 30659 1 831 . 1 1 89 89 TYR N N 15 115.693 0.25 . 1 . . . . A 82 TYR N . 30659 1 832 . 1 1 90 90 GLY H H 1 7.980 0.03 . 1 . . . . A 83 GLY H . 30659 1 833 . 1 1 90 90 GLY HA2 H 1 4.240 0.03 . 2 . . . . A 83 GLY HA2 . 30659 1 834 . 1 1 90 90 GLY HA3 H 1 3.805 0.03 . 2 . . . . A 83 GLY HA3 . 30659 1 835 . 1 1 90 90 GLY CA C 13 45.510 0.50 . 1 . . . . A 83 GLY CA . 30659 1 836 . 1 1 90 90 GLY N N 15 108.209 0.25 . 1 . . . . A 83 GLY N . 30659 1 837 . 1 1 91 91 ILE H H 1 7.730 0.03 . 1 . . . . A 84 ILE H . 30659 1 838 . 1 1 91 91 ILE HA H 1 3.300 0.03 . 1 . . . . A 84 ILE HA . 30659 1 839 . 1 1 91 91 ILE HB H 1 1.425 0.03 . 1 . . . . A 84 ILE HB . 30659 1 840 . 1 1 91 91 ILE HG12 H 1 0.770 0.03 . 2 . . . . A 84 ILE HG12 . 30659 1 841 . 1 1 91 91 ILE HG13 H 1 -0.540 0.03 . 2 . . . . A 84 ILE HG13 . 30659 1 842 . 1 1 91 91 ILE HG21 H 1 0.470 0.03 . 1 . . . . A 84 ILE HG21 . 30659 1 843 . 1 1 91 91 ILE HG22 H 1 0.470 0.03 . 1 . . . . A 84 ILE HG22 . 30659 1 844 . 1 1 91 91 ILE HG23 H 1 0.470 0.03 . 1 . . . . A 84 ILE HG23 . 30659 1 845 . 1 1 91 91 ILE HD11 H 1 -0.085 0.03 . 1 . . . . A 84 ILE HD11 . 30659 1 846 . 1 1 91 91 ILE HD12 H 1 -0.085 0.03 . 1 . . . . A 84 ILE HD12 . 30659 1 847 . 1 1 91 91 ILE HD13 H 1 -0.085 0.03 . 1 . . . . A 84 ILE HD13 . 30659 1 848 . 1 1 91 91 ILE CA C 13 61.700 0.50 . 1 . . . . A 84 ILE CA . 30659 1 849 . 1 1 91 91 ILE CB C 13 37.350 0.50 . 1 . . . . A 84 ILE CB . 30659 1 850 . 1 1 91 91 ILE CG1 C 13 27.440 0.50 . 1 . . . . A 84 ILE CG1 . 30659 1 851 . 1 1 91 91 ILE CG2 C 13 17.900 0.50 . 1 . . . . A 84 ILE CG2 . 30659 1 852 . 1 1 91 91 ILE CD1 C 13 13.740 0.50 . 1 . . . . A 84 ILE CD1 . 30659 1 853 . 1 1 91 91 ILE N N 15 122.574 0.25 . 1 . . . . A 84 ILE N . 30659 1 854 . 1 1 92 92 GLN H H 1 7.645 0.03 . 1 . . . . A 85 GLN H . 30659 1 855 . 1 1 92 92 GLN HA H 1 3.765 0.03 . 1 . . . . A 85 GLN HA . 30659 1 856 . 1 1 92 92 GLN HB2 H 1 1.665 0.03 . 2 . . . . A 85 GLN HB2 . 30659 1 857 . 1 1 92 92 GLN HG2 H 1 1.995 0.03 . 2 . . . . A 85 GLN HG2 . 30659 1 858 . 1 1 92 92 GLN HE21 H 1 7.390 0.03 . 2 . . . . A 85 GLN HE21 . 30659 1 859 . 1 1 92 92 GLN HE22 H 1 6.610 0.03 . 2 . . . . A 85 GLN HE22 . 30659 1 860 . 1 1 92 92 GLN CA C 13 53.720 0.50 . 1 . . . . A 85 GLN CA . 30659 1 861 . 1 1 92 92 GLN CB C 13 30.890 0.50 . 1 . . . . A 85 GLN CB . 30659 1 862 . 1 1 92 92 GLN CG C 13 33.840 0.50 . 1 . . . . A 85 GLN CG . 30659 1 863 . 1 1 92 92 GLN N N 15 125.204 0.25 . 1 . . . . A 85 GLN N . 30659 1 864 . 1 1 92 92 GLN NE2 N 15 112.282 0.25 . 1 . . . . A 85 GLN NE2 . 30659 1 865 . 1 1 93 93 ALA H H 1 6.791 0.03 . 1 . . . . A 86 ALA H . 30659 1 866 . 1 1 93 93 ALA HA H 1 3.755 0.03 . 1 . . . . A 86 ALA HA . 30659 1 867 . 1 1 93 93 ALA HB1 H 1 1.045 0.03 . 1 . . . . A 86 ALA HB1 . 30659 1 868 . 1 1 93 93 ALA HB2 H 1 1.045 0.03 . 1 . . . . A 86 ALA HB2 . 30659 1 869 . 1 1 93 93 ALA HB3 H 1 1.045 0.03 . 1 . . . . A 86 ALA HB3 . 30659 1 870 . 1 1 93 93 ALA CA C 13 53.910 0.50 . 1 . . . . A 86 ALA CA . 30659 1 871 . 1 1 93 93 ALA CB C 13 18.670 0.50 . 1 . . . . A 86 ALA CB . 30659 1 872 . 1 1 93 93 ALA N N 15 118.001 0.25 . 1 . . . . A 86 ALA N . 30659 1 873 . 1 1 94 94 ASP HA H 1 4.390 0.03 . 1 . . . . A 87 ASP HA . 30659 1 874 . 1 1 94 94 ASP HB2 H 1 2.765 0.03 . 2 . . . . A 87 ASP HB2 . 30659 1 875 . 1 1 94 94 ASP HB3 H 1 2.560 0.03 . 2 . . . . A 87 ASP HB3 . 30659 1 876 . 1 1 94 94 ASP CA C 13 54.060 0.50 . 1 . . . . A 87 ASP CA . 30659 1 877 . 1 1 94 94 ASP CB C 13 39.340 0.50 . 1 . . . . A 87 ASP CB . 30659 1 878 . 1 1 95 95 ALA H H 1 7.866 0.03 . 1 . . . . A 88 ALA H . 30659 1 879 . 1 1 95 95 ALA HA H 1 4.261 0.03 . 1 . . . . A 88 ALA HA . 30659 1 880 . 1 1 95 95 ALA HB1 H 1 1.215 0.03 . 1 . . . . A 88 ALA HB1 . 30659 1 881 . 1 1 95 95 ALA HB2 H 1 1.215 0.03 . 1 . . . . A 88 ALA HB2 . 30659 1 882 . 1 1 95 95 ALA HB3 H 1 1.215 0.03 . 1 . . . . A 88 ALA HB3 . 30659 1 883 . 1 1 95 95 ALA CA C 13 52.770 0.50 . 1 . . . . A 88 ALA CA . 30659 1 884 . 1 1 95 95 ALA CB C 13 19.760 0.50 . 1 . . . . A 88 ALA CB . 30659 1 885 . 1 1 95 95 ALA N N 15 123.991 0.25 . 1 . . . . A 88 ALA N . 30659 1 886 . 1 1 96 96 LYS H H 1 8.405 0.03 . 1 . . . . A 89 LYS H . 30659 1 887 . 1 1 96 96 LYS HA H 1 4.814 0.03 . 1 . . . . A 89 LYS HA . 30659 1 888 . 1 1 96 96 LYS HB2 H 1 1.875 0.03 . 2 . . . . A 89 LYS HB2 . 30659 1 889 . 1 1 96 96 LYS HB3 H 1 1.755 0.03 . 2 . . . . A 89 LYS HB3 . 30659 1 890 . 1 1 96 96 LYS HG2 H 1 1.455 0.03 . 2 . . . . A 89 LYS HG2 . 30659 1 891 . 1 1 96 96 LYS HG3 H 1 1.365 0.03 . 2 . . . . A 89 LYS HG3 . 30659 1 892 . 1 1 96 96 LYS HD2 H 1 1.620 0.03 . 2 . . . . A 89 LYS HD2 . 30659 1 893 . 1 1 96 96 LYS HE2 H 1 2.910 0.03 . 2 . . . . A 89 LYS HE2 . 30659 1 894 . 1 1 96 96 LYS CA C 13 54.736 0.50 . 1 . . . . A 89 LYS CA . 30659 1 895 . 1 1 96 96 LYS CB C 13 32.390 0.50 . 1 . . . . A 89 LYS CB . 30659 1 896 . 1 1 96 96 LYS CG C 13 24.320 0.50 . 1 . . . . A 89 LYS CG . 30659 1 897 . 1 1 96 96 LYS CD C 13 28.780 0.50 . 1 . . . . A 89 LYS CD . 30659 1 898 . 1 1 96 96 LYS CE C 13 42.000 0.50 . 1 . . . . A 89 LYS CE . 30659 1 899 . 1 1 96 96 LYS N N 15 120.419 0.25 . 1 . . . . A 89 LYS N . 30659 1 900 . 1 1 97 97 LEU H H 1 8.546 0.03 . 1 . . . . A 90 LEU H . 30659 1 901 . 1 1 97 97 LEU HA H 1 5.075 0.03 . 1 . . . . A 90 LEU HA . 30659 1 902 . 1 1 97 97 LEU HB2 H 1 1.770 0.03 . 2 . . . . A 90 LEU HB2 . 30659 1 903 . 1 1 97 97 LEU HB3 H 1 1.270 0.03 . 2 . . . . A 90 LEU HB3 . 30659 1 904 . 1 1 97 97 LEU HG H 1 1.420 0.03 . 1 . . . . A 90 LEU HG . 30659 1 905 . 1 1 97 97 LEU HD11 H 1 0.490 0.03 . 2 . . . . A 90 LEU HD11 . 30659 1 906 . 1 1 97 97 LEU HD12 H 1 0.490 0.03 . 2 . . . . A 90 LEU HD12 . 30659 1 907 . 1 1 97 97 LEU HD13 H 1 0.490 0.03 . 2 . . . . A 90 LEU HD13 . 30659 1 908 . 1 1 97 97 LEU HD21 H 1 0.285 0.03 . 2 . . . . A 90 LEU HD21 . 30659 1 909 . 1 1 97 97 LEU HD22 H 1 0.285 0.03 . 2 . . . . A 90 LEU HD22 . 30659 1 910 . 1 1 97 97 LEU HD23 H 1 0.285 0.03 . 2 . . . . A 90 LEU HD23 . 30659 1 911 . 1 1 97 97 LEU CA C 13 53.060 0.50 . 1 . . . . A 90 LEU CA . 30659 1 912 . 1 1 97 97 LEU CB C 13 44.850 0.50 . 1 . . . . A 90 LEU CB . 30659 1 913 . 1 1 97 97 LEU CG C 13 26.880 0.50 . 1 . . . . A 90 LEU CG . 30659 1 914 . 1 1 97 97 LEU CD1 C 13 25.950 0.50 . 2 . . . . A 90 LEU CD1 . 30659 1 915 . 1 1 97 97 LEU CD2 C 13 22.260 0.50 . 2 . . . . A 90 LEU CD2 . 30659 1 916 . 1 1 97 97 LEU N N 15 122.515 0.25 . 1 . . . . A 90 LEU N . 30659 1 917 . 1 1 98 98 GLN H H 1 9.050 0.03 . 1 . . . . A 91 GLN H . 30659 1 918 . 1 1 98 98 GLN HA H 1 5.670 0.03 . 1 . . . . A 91 GLN HA . 30659 1 919 . 1 1 98 98 GLN HB2 H 1 2.280 0.03 . 2 . . . . A 91 GLN HB2 . 30659 1 920 . 1 1 98 98 GLN HB3 H 1 2.225 0.03 . 2 . . . . A 91 GLN HB3 . 30659 1 921 . 1 1 98 98 GLN HG2 H 1 2.695 0.03 . 2 . . . . A 91 GLN HG2 . 30659 1 922 . 1 1 98 98 GLN HG3 H 1 2.475 0.03 . 2 . . . . A 91 GLN HG3 . 30659 1 923 . 1 1 98 98 GLN HE21 H 1 7.560 0.03 . 2 . . . . A 91 GLN HE21 . 30659 1 924 . 1 1 98 98 GLN HE22 H 1 6.840 0.03 . 2 . . . . A 91 GLN HE22 . 30659 1 925 . 1 1 98 98 GLN CA C 13 54.050 0.50 . 1 . . . . A 91 GLN CA . 30659 1 926 . 1 1 98 98 GLN CB C 13 32.290 0.50 . 1 . . . . A 91 GLN CB . 30659 1 927 . 1 1 98 98 GLN CG C 13 34.140 0.50 . 1 . . . . A 91 GLN CG . 30659 1 928 . 1 1 98 98 GLN N N 15 119.536 0.25 . 1 . . . . A 91 GLN N . 30659 1 929 . 1 1 98 98 GLN NE2 N 15 111.255 0.25 . 1 . . . . A 91 GLN NE2 . 30659 1 930 . 1 1 99 99 PHE H H 1 9.265 0.03 . 1 . . . . A 92 PHE H . 30659 1 931 . 1 1 99 99 PHE HA H 1 5.670 0.03 . 1 . . . . A 92 PHE HA . 30659 1 932 . 1 1 99 99 PHE HB2 H 1 2.515 0.03 . 2 . . . . A 92 PHE HB2 . 30659 1 933 . 1 1 99 99 PHE HB3 H 1 3.135 0.03 . 2 . . . . A 92 PHE HB3 . 30659 1 934 . 1 1 99 99 PHE CA C 13 53.930 0.50 . 1 . . . . A 92 PHE CA . 30659 1 935 . 1 1 99 99 PHE CB C 13 41.080 0.50 . 1 . . . . A 92 PHE CB . 30659 1 936 . 1 1 99 99 PHE N N 15 125.450 0.25 . 1 . . . . A 92 PHE N . 30659 1 937 . 1 1 100 100 THR H H 1 8.835 0.03 . 1 . . . . A 93 THR H . 30659 1 938 . 1 1 100 100 THR HA H 1 5.100 0.03 . 1 . . . . A 93 THR HA . 30659 1 939 . 1 1 100 100 THR HB H 1 3.900 0.03 . 1 . . . . A 93 THR HB . 30659 1 940 . 1 1 100 100 THR HG21 H 1 1.230 0.03 . 1 . . . . A 93 THR HG21 . 30659 1 941 . 1 1 100 100 THR HG22 H 1 1.230 0.03 . 1 . . . . A 93 THR HG22 . 30659 1 942 . 1 1 100 100 THR HG23 H 1 1.230 0.03 . 1 . . . . A 93 THR HG23 . 30659 1 943 . 1 1 100 100 THR CA C 13 58.830 0.50 . 1 . . . . A 93 THR CA . 30659 1 944 . 1 1 100 100 THR CB C 13 73.610 0.50 . 1 . . . . A 93 THR CB . 30659 1 945 . 1 1 100 100 THR CG2 C 13 19.700 0.50 . 1 . . . . A 93 THR CG2 . 30659 1 946 . 1 1 100 100 THR N N 15 124.322 0.25 . 1 . . . . A 93 THR N . 30659 1 947 . 1 1 101 101 PRO HA H 1 3.755 0.03 . 1 . . . . A 94 PRO HA . 30659 1 948 . 1 1 101 101 PRO HB2 H 1 1.743 0.03 . 2 . . . . A 94 PRO HB2 . 30659 1 949 . 1 1 101 101 PRO HG2 H 1 1.726 0.03 . 2 . . . . A 94 PRO HG2 . 30659 1 950 . 1 1 101 101 PRO HD2 H 1 3.530 0.03 . 2 . . . . A 94 PRO HD2 . 30659 1 951 . 1 1 101 101 PRO HD3 H 1 3.115 0.03 . 2 . . . . A 94 PRO HD3 . 30659 1 952 . 1 1 101 101 PRO CA C 13 63.570 0.50 . 1 . . . . A 94 PRO CA . 30659 1 953 . 1 1 101 101 PRO CB C 13 31.510 0.50 . 1 . . . . A 94 PRO CB . 30659 1 954 . 1 1 101 101 PRO CG C 13 27.120 0.50 . 1 . . . . A 94 PRO CG . 30659 1 955 . 1 1 101 101 PRO CD C 13 50.970 0.50 . 1 . . . . A 94 PRO CD . 30659 1 956 . 2 2 2 2 ALA HA H 1 4.112 0.03 . 1 . . . . B 535 ALA HA . 30659 1 957 . 2 2 2 2 ALA HB1 H 1 1.265 0.03 . 1 . . . . B 535 ALA HB1 . 30659 1 958 . 2 2 2 2 ALA HB2 H 1 1.265 0.03 . 1 . . . . B 535 ALA HB2 . 30659 1 959 . 2 2 2 2 ALA HB3 H 1 1.265 0.03 . 1 . . . . B 535 ALA HB3 . 30659 1 960 . 2 2 2 2 ALA CA C 13 52.788 0.50 . 1 . . . . B 535 ALA CA . 30659 1 961 . 2 2 2 2 ALA CB C 13 18.966 0.50 . 1 . . . . B 535 ALA CB . 30659 1 962 . 2 2 3 3 MET H H 1 8.349 0.03 . 1 . . . . B 536 MET H . 30659 1 963 . 2 2 3 3 MET HA H 1 4.370 0.03 . 1 . . . . B 536 MET HA . 30659 1 964 . 2 2 3 3 MET HB2 H 1 1.950 0.03 . 2 . . . . B 536 MET HB2 . 30659 1 965 . 2 2 3 3 MET HB3 H 1 1.845 0.03 . 2 . . . . B 536 MET HB3 . 30659 1 966 . 2 2 3 3 MET HG2 H 1 2.427 0.03 . 2 . . . . B 536 MET HG2 . 30659 1 967 . 2 2 3 3 MET HG3 H 1 2.355 0.03 . 2 . . . . B 536 MET HG3 . 30659 1 968 . 2 2 3 3 MET CA C 13 54.718 0.50 . 1 . . . . B 536 MET CA . 30659 1 969 . 2 2 3 3 MET CB C 13 32.150 0.50 . 1 . . . . B 536 MET CB . 30659 1 970 . 2 2 3 3 MET CG C 13 32.270 0.50 . 1 . . . . B 536 MET CG . 30659 1 971 . 2 2 3 3 MET N N 15 118.129 0.25 . 1 . . . . B 536 MET N . 30659 1 972 . 2 2 4 4 ASP H H 1 8.056 0.03 . 1 . . . . B 537 ASP H . 30659 1 973 . 2 2 4 4 ASP HA H 1 4.718 0.03 . 1 . . . . B 537 ASP HA . 30659 1 974 . 2 2 4 4 ASP HB2 H 1 2.634 0.03 . 2 . . . . B 537 ASP HB2 . 30659 1 975 . 2 2 4 4 ASP HB3 H 1 2.461 0.03 . 2 . . . . B 537 ASP HB3 . 30659 1 976 . 2 2 4 4 ASP CA C 13 52.519 0.50 . 1 . . . . B 537 ASP CA . 30659 1 977 . 2 2 4 4 ASP CB C 13 40.591 0.50 . 1 . . . . B 537 ASP CB . 30659 1 978 . 2 2 4 4 ASP N N 15 123.081 0.25 . 1 . . . . B 537 ASP N . 30659 1 979 . 2 2 5 5 PRO HA H 1 4.227 0.03 . 1 . . . . B 538 PRO HA . 30659 1 980 . 2 2 5 5 PRO HB2 H 1 2.142 0.03 . 2 . . . . B 538 PRO HB2 . 30659 1 981 . 2 2 5 5 PRO HG2 H 1 1.898 0.03 . 2 . . . . B 538 PRO HG2 . 30659 1 982 . 2 2 5 5 PRO HG3 H 1 1.735 0.03 . 2 . . . . B 538 PRO HG3 . 30659 1 983 . 2 2 5 5 PRO HD2 H 1 3.755 0.03 . 2 . . . . B 538 PRO HD2 . 30659 1 984 . 2 2 5 5 PRO HD3 H 1 3.624 0.03 . 2 . . . . B 538 PRO HD3 . 30659 1 985 . 2 2 5 5 PRO CA C 13 63.553 0.50 . 1 . . . . B 538 PRO CA . 30659 1 986 . 2 2 5 5 PRO CB C 13 31.831 0.50 . 1 . . . . B 538 PRO CB . 30659 1 987 . 2 2 5 5 PRO CG C 13 27.156 0.50 . 1 . . . . B 538 PRO CG . 30659 1 988 . 2 2 5 5 PRO CD C 13 50.515 0.50 . 1 . . . . B 538 PRO CD . 30659 1 989 . 2 2 6 6 GLU H H 1 8.415 0.03 . 1 . . . . B 539 GLU H . 30659 1 990 . 2 2 6 6 GLU HA H 1 3.991 0.03 . 1 . . . . B 539 GLU HA . 30659 1 991 . 2 2 6 6 GLU HB2 H 1 1.932 0.03 . 2 . . . . B 539 GLU HB2 . 30659 1 992 . 2 2 6 6 GLU HB3 H 1 1.746 0.03 . 2 . . . . B 539 GLU HB3 . 30659 1 993 . 2 2 6 6 GLU HG2 H 1 2.048 0.03 . 2 . . . . B 539 GLU HG2 . 30659 1 994 . 2 2 6 6 GLU HG3 H 1 1.943 0.03 . 2 . . . . B 539 GLU HG3 . 30659 1 995 . 2 2 6 6 GLU CA C 13 56.892 0.50 . 1 . . . . B 539 GLU CA . 30659 1 996 . 2 2 6 6 GLU CB C 13 29.582 0.50 . 1 . . . . B 539 GLU CB . 30659 1 997 . 2 2 6 6 GLU CG C 13 36.090 0.50 . 1 . . . . B 539 GLU CG . 30659 1 998 . 2 2 6 6 GLU N N 15 119.470 0.25 . 1 . . . . B 539 GLU N . 30659 1 999 . 2 2 7 7 PHE H H 1 7.893 0.03 . 1 . . . . B 540 PHE H . 30659 1 1000 . 2 2 7 7 PHE HA H 1 4.443 0.03 . 1 . . . . B 540 PHE HA . 30659 1 1001 . 2 2 7 7 PHE HB2 H 1 2.898 0.03 . 2 . . . . B 540 PHE HB2 . 30659 1 1002 . 2 2 7 7 PHE HB3 H 1 2.848 0.03 . 2 . . . . B 540 PHE HB3 . 30659 1 1003 . 2 2 7 7 PHE CA C 13 57.948 0.50 . 1 . . . . B 540 PHE CA . 30659 1 1004 . 2 2 7 7 PHE CB C 13 39.638 0.50 . 1 . . . . B 540 PHE CB . 30659 1 1005 . 2 2 7 7 PHE N N 15 119.350 0.25 . 1 . . . . B 540 PHE N . 30659 1 1006 . 2 2 8 8 TYR H H 1 7.933 0.03 . 1 . . . . B 541 TYR H . 30659 1 1007 . 2 2 8 8 TYR HA H 1 4.315 0.03 . 1 . . . . B 541 TYR HA . 30659 1 1008 . 2 2 8 8 TYR HB2 H 1 2.846 0.03 . 2 . . . . B 541 TYR HB2 . 30659 1 1009 . 2 2 8 8 TYR HB3 H 1 2.791 0.03 . 2 . . . . B 541 TYR HB3 . 30659 1 1010 . 2 2 8 8 TYR CA C 13 57.948 0.50 . 1 . . . . B 541 TYR CA . 30659 1 1011 . 2 2 8 8 TYR CB C 13 39.180 0.50 . 1 . . . . B 541 TYR CB . 30659 1 1012 . 2 2 8 8 TYR N N 15 120.621 0.25 . 1 . . . . B 541 TYR N . 30659 1 1013 . 2 2 9 9 HIS H H 1 7.923 0.03 . 1 . . . . B 542 HIS H . 30659 1 1014 . 2 2 9 9 HIS HA H 1 4.352 0.03 . 1 . . . . B 542 HIS HA . 30659 1 1015 . 2 2 9 9 HIS HB2 H 1 2.966 0.03 . 2 . . . . B 542 HIS HB2 . 30659 1 1016 . 2 2 9 9 HIS HB3 H 1 2.881 0.03 . 2 . . . . B 542 HIS HB3 . 30659 1 1017 . 2 2 9 9 HIS CA C 13 55.943 0.50 . 1 . . . . B 542 HIS CA . 30659 1 1018 . 2 2 9 9 HIS CB C 13 30.321 0.50 . 1 . . . . B 542 HIS CB . 30659 1 1019 . 2 2 9 9 HIS N N 15 121.178 0.25 . 1 . . . . B 542 HIS N . 30659 1 1020 . 2 2 10 10 GLU H H 1 8.199 0.03 . 1 . . . . B 543 GLU H . 30659 1 1021 . 2 2 10 10 GLU HA H 1 4.069 0.03 . 1 . . . . B 543 GLU HA . 30659 1 1022 . 2 2 10 10 GLU HB2 H 1 1.830 0.03 . 2 . . . . B 543 GLU HB2 . 30659 1 1023 . 2 2 10 10 GLU HG2 H 1 2.084 0.03 . 2 . . . . B 543 GLU HG2 . 30659 1 1024 . 2 2 10 10 GLU CA C 13 56.491 0.50 . 1 . . . . B 543 GLU CA . 30659 1 1025 . 2 2 10 10 GLU CB C 13 29.976 0.50 . 1 . . . . B 543 GLU CB . 30659 1 1026 . 2 2 10 10 GLU CG C 13 36.080 0.50 . 1 . . . . B 543 GLU CG . 30659 1 1027 . 2 2 10 10 GLU N N 15 122.371 0.25 . 1 . . . . B 543 GLU N . 30659 1 1028 . 2 2 11 11 ARG H H 1 8.343 0.03 . 1 . . . . B 544 ARG H . 30659 1 1029 . 2 2 11 11 ARG HA H 1 4.226 0.03 . 1 . . . . B 544 ARG HA . 30659 1 1030 . 2 2 11 11 ARG HB2 H 1 1.751 0.03 . 2 . . . . B 544 ARG HB2 . 30659 1 1031 . 2 2 11 11 ARG HB3 H 1 1.627 0.03 . 2 . . . . B 544 ARG HB3 . 30659 1 1032 . 2 2 11 11 ARG HG2 H 1 1.473 0.03 . 2 . . . . B 544 ARG HG2 . 30659 1 1033 . 2 2 11 11 ARG HD2 H 1 3.013 0.03 . 2 . . . . B 544 ARG HD2 . 30659 1 1034 . 2 2 11 11 ARG CA C 13 56.029 0.50 . 1 . . . . B 544 ARG CA . 30659 1 1035 . 2 2 11 11 ARG CB C 13 30.359 0.50 . 1 . . . . B 544 ARG CB . 30659 1 1036 . 2 2 11 11 ARG CG C 13 26.913 0.50 . 1 . . . . B 544 ARG CG . 30659 1 1037 . 2 2 11 11 ARG CD C 13 43.140 0.50 . 1 . . . . B 544 ARG CD . 30659 1 1038 . 2 2 11 11 ARG N N 15 122.148 0.25 . 1 . . . . B 544 ARG N . 30659 1 1039 . 2 2 12 12 ARG H H 1 8.198 0.03 . 1 . . . . B 545 ARG H . 30659 1 1040 . 2 2 12 12 ARG HA H 1 4.221 0.03 . 1 . . . . B 545 ARG HA . 30659 1 1041 . 2 2 12 12 ARG HB2 H 1 1.751 0.03 . 2 . . . . B 545 ARG HB2 . 30659 1 1042 . 2 2 12 12 ARG HB3 H 1 1.627 0.03 . 2 . . . . B 545 ARG HB3 . 30659 1 1043 . 2 2 12 12 ARG HG2 H 1 1.473 0.03 . 2 . . . . B 545 ARG HG2 . 30659 1 1044 . 2 2 12 12 ARG HD2 H 1 3.013 0.03 . 2 . . . . B 545 ARG HD2 . 30659 1 1045 . 2 2 12 12 ARG CA C 13 55.710 0.50 . 1 . . . . B 545 ARG CA . 30659 1 1046 . 2 2 12 12 ARG CB C 13 30.352 0.50 . 1 . . . . B 545 ARG CB . 30659 1 1047 . 2 2 12 12 ARG CG C 13 26.898 0.50 . 1 . . . . B 545 ARG CG . 30659 1 1048 . 2 2 12 12 ARG CD C 13 43.134 0.50 . 1 . . . . B 545 ARG CD . 30659 1 1049 . 2 2 12 12 ARG N N 15 121.422 0.25 . 1 . . . . B 545 ARG N . 30659 1 1050 . 2 2 13 13 GLY H H 1 8.289 0.03 . 1 . . . . B 546 GLY H . 30659 1 1051 . 2 2 13 13 GLY HA2 H 1 3.803 0.03 . 2 . . . . B 546 GLY HA2 . 30659 1 1052 . 2 2 13 13 GLY CA C 13 45.092 0.50 . 1 . . . . B 546 GLY CA . 30659 1 1053 . 2 2 13 13 GLY N N 15 109.499 0.25 . 1 . . . . B 546 GLY N . 30659 1 1054 . 2 2 14 14 SER H H 1 8.183 0.03 . 1 . . . . B 547 SER H . 30659 1 1055 . 2 2 14 14 SER HA H 1 4.257 0.03 . 1 . . . . B 547 SER HA . 30659 1 1056 . 2 2 14 14 SER HB2 H 1 3.555 0.03 . 2 . . . . B 547 SER HB2 . 30659 1 1057 . 2 2 14 14 SER HB3 H 1 3.465 0.03 . 2 . . . . B 547 SER HB3 . 30659 1 1058 . 2 2 14 14 SER CA C 13 58.384 0.50 . 1 . . . . B 547 SER CA . 30659 1 1059 . 2 2 14 14 SER CB C 13 64.034 0.50 . 1 . . . . B 547 SER CB . 30659 1 1060 . 2 2 14 14 SER N N 15 115.871 0.25 . 1 . . . . B 547 SER N . 30659 1 1061 . 2 2 15 15 LEU H H 1 8.194 0.03 . 1 . . . . B 548 LEU H . 30659 1 1062 . 2 2 15 15 LEU HA H 1 4.084 0.03 . 1 . . . . B 548 LEU HA . 30659 1 1063 . 2 2 15 15 LEU HB2 H 1 1.385 0.03 . 2 . . . . B 548 LEU HB2 . 30659 1 1064 . 2 2 15 15 LEU HB3 H 1 0.795 0.03 . 2 . . . . B 548 LEU HB3 . 30659 1 1065 . 2 2 15 15 LEU HG H 1 1.370 0.03 . 1 . . . . B 548 LEU HG . 30659 1 1066 . 2 2 15 15 LEU HD11 H 1 0.447 0.03 . 2 . . . . B 548 LEU HD11 . 30659 1 1067 . 2 2 15 15 LEU HD12 H 1 0.447 0.03 . 2 . . . . B 548 LEU HD12 . 30659 1 1068 . 2 2 15 15 LEU HD13 H 1 0.447 0.03 . 2 . . . . B 548 LEU HD13 . 30659 1 1069 . 2 2 15 15 LEU HD21 H 1 0.632 0.03 . 2 . . . . B 548 LEU HD21 . 30659 1 1070 . 2 2 15 15 LEU HD22 H 1 0.632 0.03 . 2 . . . . B 548 LEU HD22 . 30659 1 1071 . 2 2 15 15 LEU HD23 H 1 0.632 0.03 . 2 . . . . B 548 LEU HD23 . 30659 1 1072 . 2 2 15 15 LEU CA C 13 53.538 0.50 . 1 . . . . B 548 LEU CA . 30659 1 1073 . 2 2 15 15 LEU CB C 13 43.122 0.50 . 1 . . . . B 548 LEU CB . 30659 1 1074 . 2 2 15 15 LEU CG C 13 26.260 0.50 . 1 . . . . B 548 LEU CG . 30659 1 1075 . 2 2 15 15 LEU CD1 C 13 22.427 0.50 . 2 . . . . B 548 LEU CD1 . 30659 1 1076 . 2 2 15 15 LEU CD2 C 13 24.528 0.50 . 2 . . . . B 548 LEU CD2 . 30659 1 1077 . 2 2 15 15 LEU N N 15 122.821 0.25 . 1 . . . . B 548 LEU N . 30659 1 1078 . 2 2 16 16 CYS H H 1 8.019 0.03 . 1 . . . . B 549 CYS H . 30659 1 1079 . 2 2 16 16 CYS HA H 1 4.278 0.03 . 1 . . . . B 549 CYS HA . 30659 1 1080 . 2 2 16 16 CYS HB2 H 1 3.511 0.03 . 2 . . . . B 549 CYS HB2 . 30659 1 1081 . 2 2 16 16 CYS HB3 H 1 2.195 0.03 . 2 . . . . B 549 CYS HB3 . 30659 1 1082 . 2 2 16 16 CYS CA C 13 57.282 0.50 . 1 . . . . B 549 CYS CA . 30659 1 1083 . 2 2 16 16 CYS CB C 13 31.458 0.50 . 1 . . . . B 549 CYS CB . 30659 1 1084 . 2 2 16 16 CYS N N 15 122.780 0.25 . 1 . . . . B 549 CYS N . 30659 1 1085 . 2 2 17 17 SER H H 1 8.772 0.03 . 1 . . . . B 550 SER H . 30659 1 1086 . 2 2 17 17 SER HA H 1 4.083 0.03 . 1 . . . . B 550 SER HA . 30659 1 1087 . 2 2 17 17 SER HB2 H 1 3.461 0.03 . 2 . . . . B 550 SER HB2 . 30659 1 1088 . 2 2 17 17 SER HB3 H 1 2.987 0.03 . 2 . . . . B 550 SER HB3 . 30659 1 1089 . 2 2 17 17 SER CA C 13 61.666 0.50 . 1 . . . . B 550 SER CA . 30659 1 1090 . 2 2 17 17 SER CB C 13 63.207 0.50 . 1 . . . . B 550 SER CB . 30659 1 1091 . 2 2 17 17 SER N N 15 125.520 0.25 . 1 . . . . B 550 SER N . 30659 1 1092 . 2 2 18 18 GLY H H 1 9.083 0.03 . 1 . . . . B 551 GLY H . 30659 1 1093 . 2 2 18 18 GLY HA2 H 1 4.345 0.03 . 2 . . . . B 551 GLY HA2 . 30659 1 1094 . 2 2 18 18 GLY HA3 H 1 3.844 0.03 . 2 . . . . B 551 GLY HA3 . 30659 1 1095 . 2 2 18 18 GLY CA C 13 46.108 0.50 . 1 . . . . B 551 GLY CA . 30659 1 1096 . 2 2 18 18 GLY N N 15 110.873 0.25 . 1 . . . . B 551 GLY N . 30659 1 1097 . 2 2 19 19 CYS H H 1 7.785 0.03 . 1 . . . . B 552 CYS H . 30659 1 1098 . 2 2 19 19 CYS HA H 1 4.753 0.03 . 1 . . . . B 552 CYS HA . 30659 1 1099 . 2 2 19 19 CYS HB2 H 1 3.102 0.03 . 2 . . . . B 552 CYS HB2 . 30659 1 1100 . 2 2 19 19 CYS HB3 H 1 2.198 0.03 . 2 . . . . B 552 CYS HB3 . 30659 1 1101 . 2 2 19 19 CYS CA C 13 58.186 0.50 . 1 . . . . B 552 CYS CA . 30659 1 1102 . 2 2 19 19 CYS CB C 13 31.506 0.50 . 1 . . . . B 552 CYS CB . 30659 1 1103 . 2 2 19 19 CYS N N 15 118.706 0.25 . 1 . . . . B 552 CYS N . 30659 1 1104 . 2 2 20 20 GLN H H 1 8.269 0.03 . 1 . . . . B 553 GLN H . 30659 1 1105 . 2 2 20 20 GLN HA H 1 3.871 0.03 . 1 . . . . B 553 GLN HA . 30659 1 1106 . 2 2 20 20 GLN HB2 H 1 2.255 0.03 . 2 . . . . B 553 GLN HB2 . 30659 1 1107 . 2 2 20 20 GLN HG2 H 1 2.183 0.03 . 2 . . . . B 553 GLN HG2 . 30659 1 1108 . 2 2 20 20 GLN HG3 H 1 2.103 0.03 . 2 . . . . B 553 GLN HG3 . 30659 1 1109 . 2 2 20 20 GLN HE21 H 1 7.140 0.03 . 2 . . . . B 553 GLN HE21 . 30659 1 1110 . 2 2 20 20 GLN HE22 H 1 6.520 0.03 . 2 . . . . B 553 GLN HE22 . 30659 1 1111 . 2 2 20 20 GLN CA C 13 57.357 0.50 . 1 . . . . B 553 GLN CA . 30659 1 1112 . 2 2 20 20 GLN CB C 13 25.073 0.50 . 1 . . . . B 553 GLN CB . 30659 1 1113 . 2 2 20 20 GLN CG C 13 33.723 0.50 . 1 . . . . B 553 GLN CG . 30659 1 1114 . 2 2 20 20 GLN N N 15 116.391 0.25 . 1 . . . . B 553 GLN N . 30659 1 1115 . 2 2 20 20 GLN NE2 N 15 112.111 0.25 . 1 . . . . B 553 GLN NE2 . 30659 1 1116 . 2 2 21 21 LYS H H 1 8.099 0.03 . 1 . . . . B 554 LYS H . 30659 1 1117 . 2 2 21 21 LYS HA H 1 4.890 0.03 . 1 . . . . B 554 LYS HA . 30659 1 1118 . 2 2 21 21 LYS HB2 H 1 2.140 0.03 . 2 . . . . B 554 LYS HB2 . 30659 1 1119 . 2 2 21 21 LYS HB3 H 1 1.895 0.03 . 2 . . . . B 554 LYS HB3 . 30659 1 1120 . 2 2 21 21 LYS HG2 H 1 1.530 0.03 . 2 . . . . B 554 LYS HG2 . 30659 1 1121 . 2 2 21 21 LYS HG3 H 1 1.425 0.03 . 2 . . . . B 554 LYS HG3 . 30659 1 1122 . 2 2 21 21 LYS HD2 H 1 1.691 0.03 . 2 . . . . B 554 LYS HD2 . 30659 1 1123 . 2 2 21 21 LYS HD3 H 1 1.641 0.03 . 2 . . . . B 554 LYS HD3 . 30659 1 1124 . 2 2 21 21 LYS CA C 13 53.475 0.50 . 1 . . . . B 554 LYS CA . 30659 1 1125 . 2 2 21 21 LYS CB C 13 31.920 0.50 . 1 . . . . B 554 LYS CB . 30659 1 1126 . 2 2 21 21 LYS CG C 13 24.490 0.50 . 1 . . . . B 554 LYS CG . 30659 1 1127 . 2 2 21 21 LYS CD C 13 28.520 0.50 . 1 . . . . B 554 LYS CD . 30659 1 1128 . 2 2 21 21 LYS N N 15 118.030 0.25 . 1 . . . . B 554 LYS N . 30659 1 1129 . 2 2 22 22 PRO HA H 1 4.310 0.03 . 1 . . . . B 555 PRO HA . 30659 1 1130 . 2 2 22 22 PRO HB2 H 1 2.145 0.03 . 2 . . . . B 555 PRO HB2 . 30659 1 1131 . 2 2 22 22 PRO HB3 H 1 1.629 0.03 . 2 . . . . B 555 PRO HB3 . 30659 1 1132 . 2 2 22 22 PRO HG2 H 1 1.735 0.03 . 2 . . . . B 555 PRO HG2 . 30659 1 1133 . 2 2 22 22 PRO HG3 H 1 1.960 0.03 . 2 . . . . B 555 PRO HG3 . 30659 1 1134 . 2 2 22 22 PRO HD2 H 1 3.515 0.03 . 2 . . . . B 555 PRO HD2 . 30659 1 1135 . 2 2 22 22 PRO HD3 H 1 3.690 0.03 . 2 . . . . B 555 PRO HD3 . 30659 1 1136 . 2 2 22 22 PRO CA C 13 63.020 0.50 . 1 . . . . B 555 PRO CA . 30659 1 1137 . 2 2 22 22 PRO CB C 13 32.370 0.50 . 1 . . . . B 555 PRO CB . 30659 1 1138 . 2 2 22 22 PRO CG C 13 27.120 0.50 . 1 . . . . B 555 PRO CG . 30659 1 1139 . 2 2 22 22 PRO CD C 13 50.500 0.50 . 1 . . . . B 555 PRO CD . 30659 1 1140 . 2 2 23 23 ILE H H 1 8.204 0.03 . 1 . . . . B 556 ILE H . 30659 1 1141 . 2 2 23 23 ILE HA H 1 3.961 0.03 . 1 . . . . B 556 ILE HA . 30659 1 1142 . 2 2 23 23 ILE HB H 1 1.290 0.03 . 1 . . . . B 556 ILE HB . 30659 1 1143 . 2 2 23 23 ILE HG12 H 1 1.108 0.03 . 2 . . . . B 556 ILE HG12 . 30659 1 1144 . 2 2 23 23 ILE HG13 H 1 -0.455 0.03 . 2 . . . . B 556 ILE HG13 . 30659 1 1145 . 2 2 23 23 ILE HG21 H 1 0.505 0.03 . 1 . . . . B 556 ILE HG21 . 30659 1 1146 . 2 2 23 23 ILE HG22 H 1 0.505 0.03 . 1 . . . . B 556 ILE HG22 . 30659 1 1147 . 2 2 23 23 ILE HG23 H 1 0.505 0.03 . 1 . . . . B 556 ILE HG23 . 30659 1 1148 . 2 2 23 23 ILE HD11 H 1 0.175 0.03 . 1 . . . . B 556 ILE HD11 . 30659 1 1149 . 2 2 23 23 ILE HD12 H 1 0.175 0.03 . 1 . . . . B 556 ILE HD12 . 30659 1 1150 . 2 2 23 23 ILE HD13 H 1 0.175 0.03 . 1 . . . . B 556 ILE HD13 . 30659 1 1151 . 2 2 23 23 ILE CA C 13 60.540 0.50 . 1 . . . . B 556 ILE CA . 30659 1 1152 . 2 2 23 23 ILE CB C 13 38.300 0.50 . 1 . . . . B 556 ILE CB . 30659 1 1153 . 2 2 23 23 ILE CG1 C 13 26.020 0.50 . 1 . . . . B 556 ILE CG1 . 30659 1 1154 . 2 2 23 23 ILE CG2 C 13 17.870 0.50 . 1 . . . . B 556 ILE CG2 . 30659 1 1155 . 2 2 23 23 ILE CD1 C 13 14.560 0.50 . 1 . . . . B 556 ILE CD1 . 30659 1 1156 . 2 2 23 23 ILE N N 15 123.081 0.25 . 1 . . . . B 556 ILE N . 30659 1 1157 . 2 2 24 24 THR HA H 1 4.389 0.03 . 1 . . . . B 557 THR HA . 30659 1 1158 . 2 2 24 24 THR HB H 1 4.192 0.03 . 1 . . . . B 557 THR HB . 30659 1 1159 . 2 2 24 24 THR HG21 H 1 1.033 0.03 . 1 . . . . B 557 THR HG21 . 30659 1 1160 . 2 2 24 24 THR HG22 H 1 1.033 0.03 . 1 . . . . B 557 THR HG22 . 30659 1 1161 . 2 2 24 24 THR HG23 H 1 1.033 0.03 . 1 . . . . B 557 THR HG23 . 30659 1 1162 . 2 2 24 24 THR CA C 13 61.214 0.50 . 1 . . . . B 557 THR CA . 30659 1 1163 . 2 2 24 24 THR CB C 13 69.372 0.50 . 1 . . . . B 557 THR CB . 30659 1 1164 . 2 2 24 24 THR CG2 C 13 21.157 0.50 . 1 . . . . B 557 THR CG2 . 30659 1 1165 . 2 2 25 25 GLY H H 1 8.037 0.03 . 1 . . . . B 558 GLY H . 30659 1 1166 . 2 2 25 25 GLY HA2 H 1 3.917 0.03 . 2 . . . . B 558 GLY HA2 . 30659 1 1167 . 2 2 25 25 GLY HA3 H 1 3.803 0.03 . 2 . . . . B 558 GLY HA3 . 30659 1 1168 . 2 2 25 25 GLY CA C 13 44.514 0.50 . 1 . . . . B 558 GLY CA . 30659 1 1169 . 2 2 25 25 GLY N N 15 113.552 0.25 . 1 . . . . B 558 GLY N . 30659 1 1170 . 2 2 26 26 ARG H H 1 8.377 0.03 . 1 . . . . B 559 ARG H . 30659 1 1171 . 2 2 26 26 ARG HA H 1 4.031 0.03 . 1 . . . . B 559 ARG HA . 30659 1 1172 . 2 2 26 26 ARG HB2 H 1 1.628 0.03 . 2 . . . . B 559 ARG HB2 . 30659 1 1173 . 2 2 26 26 ARG HG2 H 1 1.575 0.03 . 2 . . . . B 559 ARG HG2 . 30659 1 1174 . 2 2 26 26 ARG HG3 H 1 1.450 0.03 . 2 . . . . B 559 ARG HG3 . 30659 1 1175 . 2 2 26 26 ARG HD2 H 1 3.077 0.03 . 2 . . . . B 559 ARG HD2 . 30659 1 1176 . 2 2 26 26 ARG CA C 13 57.178 0.50 . 1 . . . . B 559 ARG CA . 30659 1 1177 . 2 2 26 26 ARG CB C 13 30.683 0.50 . 1 . . . . B 559 ARG CB . 30659 1 1178 . 2 2 26 26 ARG CG C 13 27.405 0.50 . 1 . . . . B 559 ARG CG . 30659 1 1179 . 2 2 26 26 ARG CD C 13 43.245 0.50 . 1 . . . . B 559 ARG CD . 30659 1 1180 . 2 2 26 26 ARG N N 15 124.909 0.25 . 1 . . . . B 559 ARG N . 30659 1 1181 . 2 2 27 27 CYS H H 1 8.374 0.03 . 1 . . . . B 560 CYS H . 30659 1 1182 . 2 2 27 27 CYS HA H 1 4.883 0.03 . 1 . . . . B 560 CYS HA . 30659 1 1183 . 2 2 27 27 CYS HB2 H 1 2.672 0.03 . 2 . . . . B 560 CYS HB2 . 30659 1 1184 . 2 2 27 27 CYS HB3 H 1 2.589 0.03 . 2 . . . . B 560 CYS HB3 . 30659 1 1185 . 2 2 27 27 CYS CA C 13 55.859 0.50 . 1 . . . . B 560 CYS CA . 30659 1 1186 . 2 2 27 27 CYS CB C 13 30.724 0.50 . 1 . . . . B 560 CYS CB . 30659 1 1187 . 2 2 27 27 CYS N N 15 118.331 0.25 . 1 . . . . B 560 CYS N . 30659 1 1188 . 2 2 28 28 ILE H H 1 8.734 0.03 . 1 . . . . B 561 ILE H . 30659 1 1189 . 2 2 28 28 ILE HA H 1 4.367 0.03 . 1 . . . . B 561 ILE HA . 30659 1 1190 . 2 2 28 28 ILE HB H 1 1.427 0.03 . 1 . . . . B 561 ILE HB . 30659 1 1191 . 2 2 28 28 ILE HG12 H 1 1.317 0.03 . 2 . . . . B 561 ILE HG12 . 30659 1 1192 . 2 2 28 28 ILE HG13 H 1 0.986 0.03 . 2 . . . . B 561 ILE HG13 . 30659 1 1193 . 2 2 28 28 ILE HG21 H 1 0.206 0.03 . 1 . . . . B 561 ILE HG21 . 30659 1 1194 . 2 2 28 28 ILE HG22 H 1 0.206 0.03 . 1 . . . . B 561 ILE HG22 . 30659 1 1195 . 2 2 28 28 ILE HG23 H 1 0.206 0.03 . 1 . . . . B 561 ILE HG23 . 30659 1 1196 . 2 2 28 28 ILE HD11 H 1 0.710 0.03 . 1 . . . . B 561 ILE HD11 . 30659 1 1197 . 2 2 28 28 ILE HD12 H 1 0.710 0.03 . 1 . . . . B 561 ILE HD12 . 30659 1 1198 . 2 2 28 28 ILE HD13 H 1 0.710 0.03 . 1 . . . . B 561 ILE HD13 . 30659 1 1199 . 2 2 28 28 ILE CA C 13 59.221 0.50 . 1 . . . . B 561 ILE CA . 30659 1 1200 . 2 2 28 28 ILE CB C 13 39.812 0.50 . 1 . . . . B 561 ILE CB . 30659 1 1201 . 2 2 28 28 ILE CG1 C 13 27.455 0.50 . 1 . . . . B 561 ILE CG1 . 30659 1 1202 . 2 2 28 28 ILE CG2 C 13 16.305 0.50 . 1 . . . . B 561 ILE CG2 . 30659 1 1203 . 2 2 28 28 ILE CD1 C 13 12.359 0.50 . 1 . . . . B 561 ILE CD1 . 30659 1 1204 . 2 2 28 28 ILE N N 15 123.939 0.25 . 1 . . . . B 561 ILE N . 30659 1 1205 . 2 2 29 29 THR H H 1 8.323 0.03 . 1 . . . . B 562 THR H . 30659 1 1206 . 2 2 29 29 THR HA H 1 5.030 0.03 . 1 . . . . B 562 THR HA . 30659 1 1207 . 2 2 29 29 THR HB H 1 3.859 0.03 . 1 . . . . B 562 THR HB . 30659 1 1208 . 2 2 29 29 THR HG21 H 1 0.912 0.03 . 1 . . . . B 562 THR HG21 . 30659 1 1209 . 2 2 29 29 THR HG22 H 1 0.912 0.03 . 1 . . . . B 562 THR HG22 . 30659 1 1210 . 2 2 29 29 THR HG23 H 1 0.912 0.03 . 1 . . . . B 562 THR HG23 . 30659 1 1211 . 2 2 29 29 THR CA C 13 60.119 0.50 . 1 . . . . B 562 THR CA . 30659 1 1212 . 2 2 29 29 THR CB C 13 69.223 0.50 . 1 . . . . B 562 THR CB . 30659 1 1213 . 2 2 29 29 THR CG2 C 13 20.718 0.50 . 1 . . . . B 562 THR CG2 . 30659 1 1214 . 2 2 29 29 THR N N 15 122.148 0.25 . 1 . . . . B 562 THR N . 30659 1 1215 . 2 2 30 30 ALA H H 1 8.475 0.03 . 1 . . . . B 563 ALA H . 30659 1 1216 . 2 2 30 30 ALA HA H 1 4.318 0.03 . 1 . . . . B 563 ALA HA . 30659 1 1217 . 2 2 30 30 ALA HB1 H 1 0.512 0.03 . 1 . . . . B 563 ALA HB1 . 30659 1 1218 . 2 2 30 30 ALA HB2 H 1 0.512 0.03 . 1 . . . . B 563 ALA HB2 . 30659 1 1219 . 2 2 30 30 ALA HB3 H 1 0.512 0.03 . 1 . . . . B 563 ALA HB3 . 30659 1 1220 . 2 2 30 30 ALA CA C 13 51.623 0.50 . 1 . . . . B 563 ALA CA . 30659 1 1221 . 2 2 30 30 ALA CB C 13 21.881 0.50 . 1 . . . . B 563 ALA CB . 30659 1 1222 . 2 2 30 30 ALA N N 15 127.629 0.25 . 1 . . . . B 563 ALA N . 30659 1 1223 . 2 2 31 31 MET H H 1 9.210 0.03 . 1 . . . . B 564 MET H . 30659 1 1224 . 2 2 31 31 MET HA H 1 3.926 0.03 . 1 . . . . B 564 MET HA . 30659 1 1225 . 2 2 31 31 MET HB2 H 1 2.247 0.03 . 2 . . . . B 564 MET HB2 . 30659 1 1226 . 2 2 31 31 MET HB3 H 1 2.167 0.03 . 2 . . . . B 564 MET HB3 . 30659 1 1227 . 2 2 31 31 MET HG2 H 1 2.492 0.03 . 2 . . . . B 564 MET HG2 . 30659 1 1228 . 2 2 31 31 MET HG3 H 1 2.230 0.03 . 2 . . . . B 564 MET HG3 . 30659 1 1229 . 2 2 31 31 MET CA C 13 56.593 0.50 . 1 . . . . B 564 MET CA . 30659 1 1230 . 2 2 31 31 MET CB C 13 30.445 0.50 . 1 . . . . B 564 MET CB . 30659 1 1231 . 2 2 31 31 MET CG C 13 32.047 0.50 . 1 . . . . B 564 MET CG . 30659 1 1232 . 2 2 31 31 MET N N 15 117.522 0.25 . 1 . . . . B 564 MET N . 30659 1 1233 . 2 2 32 32 ALA H H 1 8.513 0.03 . 1 . . . . B 565 ALA H . 30659 1 1234 . 2 2 32 32 ALA HA H 1 3.713 0.03 . 1 . . . . B 565 ALA HA . 30659 1 1235 . 2 2 32 32 ALA HB1 H 1 1.387 0.03 . 1 . . . . B 565 ALA HB1 . 30659 1 1236 . 2 2 32 32 ALA HB2 H 1 1.387 0.03 . 1 . . . . B 565 ALA HB2 . 30659 1 1237 . 2 2 32 32 ALA HB3 H 1 1.387 0.03 . 1 . . . . B 565 ALA HB3 . 30659 1 1238 . 2 2 32 32 ALA CA C 13 53.182 0.50 . 1 . . . . B 565 ALA CA . 30659 1 1239 . 2 2 32 32 ALA CB C 13 16.991 0.50 . 1 . . . . B 565 ALA CB . 30659 1 1240 . 2 2 32 32 ALA N N 15 114.332 0.25 . 1 . . . . B 565 ALA N . 30659 1 1241 . 2 2 33 33 LYS H H 1 7.979 0.03 . 1 . . . . B 566 LYS H . 30659 1 1242 . 2 2 33 33 LYS HA H 1 4.309 0.03 . 1 . . . . B 566 LYS HA . 30659 1 1243 . 2 2 33 33 LYS HB2 H 1 1.689 0.03 . 2 . . . . B 566 LYS HB2 . 30659 1 1244 . 2 2 33 33 LYS HB3 H 1 1.414 0.03 . 2 . . . . B 566 LYS HB3 . 30659 1 1245 . 2 2 33 33 LYS HG2 H 1 1.245 0.03 . 2 . . . . B 566 LYS HG2 . 30659 1 1246 . 2 2 33 33 LYS HG3 H 1 1.405 0.03 . 2 . . . . B 566 LYS HG3 . 30659 1 1247 . 2 2 33 33 LYS HD2 H 1 1.518 0.03 . 2 . . . . B 566 LYS HD2 . 30659 1 1248 . 2 2 33 33 LYS HD3 H 1 1.388 0.03 . 2 . . . . B 566 LYS HD3 . 30659 1 1249 . 2 2 33 33 LYS HE2 H 1 3.018 0.03 . 2 . . . . B 566 LYS HE2 . 30659 1 1250 . 2 2 33 33 LYS CA C 13 54.994 0.50 . 1 . . . . B 566 LYS CA . 30659 1 1251 . 2 2 33 33 LYS CB C 13 36.791 0.50 . 1 . . . . B 566 LYS CB . 30659 1 1252 . 2 2 33 33 LYS CG C 13 25.002 0.50 . 1 . . . . B 566 LYS CG . 30659 1 1253 . 2 2 33 33 LYS CD C 13 29.306 0.50 . 1 . . . . B 566 LYS CD . 30659 1 1254 . 2 2 33 33 LYS CE C 13 43.290 0.50 . 1 . . . . B 566 LYS CE . 30659 1 1255 . 2 2 33 33 LYS N N 15 121.368 0.25 . 1 . . . . B 566 LYS N . 30659 1 1256 . 2 2 34 34 LYS H H 1 7.908 0.03 . 1 . . . . B 567 LYS H . 30659 1 1257 . 2 2 34 34 LYS HA H 1 5.040 0.03 . 1 . . . . B 567 LYS HA . 30659 1 1258 . 2 2 34 34 LYS HB2 H 1 1.287 0.03 . 2 . . . . B 567 LYS HB2 . 30659 1 1259 . 2 2 34 34 LYS HB3 H 1 1.207 0.03 . 2 . . . . B 567 LYS HB3 . 30659 1 1260 . 2 2 34 34 LYS HG2 H 1 1.150 0.03 . 2 . . . . B 567 LYS HG2 . 30659 1 1261 . 2 2 34 34 LYS HD2 H 1 1.276 0.03 . 2 . . . . B 567 LYS HD2 . 30659 1 1262 . 2 2 34 34 LYS HD3 H 1 1.401 0.03 . 2 . . . . B 567 LYS HD3 . 30659 1 1263 . 2 2 34 34 LYS HE2 H 1 2.674 0.03 . 2 . . . . B 567 LYS HE2 . 30659 1 1264 . 2 2 34 34 LYS CA C 13 54.391 0.50 . 1 . . . . B 567 LYS CA . 30659 1 1265 . 2 2 34 34 LYS CB C 13 35.781 0.50 . 1 . . . . B 567 LYS CB . 30659 1 1266 . 2 2 34 34 LYS CG C 13 25.298 0.50 . 1 . . . . B 567 LYS CG . 30659 1 1267 . 2 2 34 34 LYS CD C 13 29.402 0.50 . 1 . . . . B 567 LYS CD . 30659 1 1268 . 2 2 34 34 LYS CE C 13 42.173 0.50 . 1 . . . . B 567 LYS CE . 30659 1 1269 . 2 2 34 34 LYS N N 15 117.782 0.25 . 1 . . . . B 567 LYS N . 30659 1 1270 . 2 2 35 35 PHE H H 1 8.686 0.03 . 1 . . . . B 568 PHE H . 30659 1 1271 . 2 2 35 35 PHE HA H 1 5.573 0.03 . 1 . . . . B 568 PHE HA . 30659 1 1272 . 2 2 35 35 PHE HB2 H 1 3.146 0.03 . 2 . . . . B 568 PHE HB2 . 30659 1 1273 . 2 2 35 35 PHE HB3 H 1 2.203 0.03 . 2 . . . . B 568 PHE HB3 . 30659 1 1274 . 2 2 35 35 PHE CA C 13 56.245 0.50 . 1 . . . . B 568 PHE CA . 30659 1 1275 . 2 2 35 35 PHE CB C 13 43.380 0.50 . 1 . . . . B 568 PHE CB . 30659 1 1276 . 2 2 35 35 PHE N N 15 115.442 0.25 . 1 . . . . B 568 PHE N . 30659 1 1277 . 2 2 36 36 HIS H H 1 9.274 0.03 . 1 . . . . B 569 HIS H . 30659 1 1278 . 2 2 36 36 HIS HA H 1 4.598 0.03 . 1 . . . . B 569 HIS HA . 30659 1 1279 . 2 2 36 36 HIS HB2 H 1 2.387 0.03 . 2 . . . . B 569 HIS HB2 . 30659 1 1280 . 2 2 36 36 HIS HB3 H 1 3.205 0.03 . 2 . . . . B 569 HIS HB3 . 30659 1 1281 . 2 2 36 36 HIS CA C 13 58.212 0.50 . 1 . . . . B 569 HIS CA . 30659 1 1282 . 2 2 36 36 HIS CB C 13 29.093 0.50 . 1 . . . . B 569 HIS CB . 30659 1 1283 . 2 2 36 36 HIS N N 15 123.180 0.25 . 1 . . . . B 569 HIS N . 30659 1 1284 . 2 2 37 37 PRO HA H 1 3.966 0.03 . 1 . . . . B 570 PRO HA . 30659 1 1285 . 2 2 37 37 PRO HB2 H 1 2.298 0.03 . 2 . . . . B 570 PRO HB2 . 30659 1 1286 . 2 2 37 37 PRO HB3 H 1 1.875 0.03 . 2 . . . . B 570 PRO HB3 . 30659 1 1287 . 2 2 37 37 PRO HG2 H 1 2.080 0.03 . 2 . . . . B 570 PRO HG2 . 30659 1 1288 . 2 2 37 37 PRO HG3 H 1 1.600 0.03 . 2 . . . . B 570 PRO HG3 . 30659 1 1289 . 2 2 37 37 PRO HD2 H 1 4.030 0.03 . 2 . . . . B 570 PRO HD2 . 30659 1 1290 . 2 2 37 37 PRO HD3 H 1 3.785 0.03 . 2 . . . . B 570 PRO HD3 . 30659 1 1291 . 2 2 37 37 PRO CA C 13 66.475 0.50 . 1 . . . . B 570 PRO CA . 30659 1 1292 . 2 2 37 37 PRO CB C 13 31.010 0.50 . 1 . . . . B 570 PRO CB . 30659 1 1293 . 2 2 37 37 PRO CG C 13 28.186 0.50 . 1 . . . . B 570 PRO CG . 30659 1 1294 . 2 2 37 37 PRO CD C 13 49.707 0.50 . 1 . . . . B 570 PRO CD . 30659 1 1295 . 2 2 38 38 GLU H H 1 9.914 0.03 . 1 . . . . B 571 GLU H . 30659 1 1296 . 2 2 38 38 GLU HA H 1 4.014 0.03 . 1 . . . . B 571 GLU HA . 30659 1 1297 . 2 2 38 38 GLU HB2 H 1 1.800 0.03 . 2 . . . . B 571 GLU HB2 . 30659 1 1298 . 2 2 38 38 GLU HB3 H 1 1.687 0.03 . 2 . . . . B 571 GLU HB3 . 30659 1 1299 . 2 2 38 38 GLU HG2 H 1 1.953 0.03 . 2 . . . . B 571 GLU HG2 . 30659 1 1300 . 2 2 38 38 GLU HG3 H 1 1.465 0.03 . 2 . . . . B 571 GLU HG3 . 30659 1 1301 . 2 2 38 38 GLU CA C 13 57.579 0.50 . 1 . . . . B 571 GLU CA . 30659 1 1302 . 2 2 38 38 GLU CB C 13 27.565 0.50 . 1 . . . . B 571 GLU CB . 30659 1 1303 . 2 2 38 38 GLU CG C 13 35.277 0.50 . 1 . . . . B 571 GLU CG . 30659 1 1304 . 2 2 38 38 GLU N N 15 114.010 0.25 . 1 . . . . B 571 GLU N . 30659 1 1305 . 2 2 39 39 HIS H H 1 8.126 0.03 . 1 . . . . B 572 HIS H . 30659 1 1306 . 2 2 39 39 HIS HA H 1 4.973 0.03 . 1 . . . . B 572 HIS HA . 30659 1 1307 . 2 2 39 39 HIS HB2 H 1 3.603 0.03 . 2 . . . . B 572 HIS HB2 . 30659 1 1308 . 2 2 39 39 HIS HB3 H 1 3.203 0.03 . 2 . . . . B 572 HIS HB3 . 30659 1 1309 . 2 2 39 39 HIS CA C 13 52.847 0.50 . 1 . . . . B 572 HIS CA . 30659 1 1310 . 2 2 39 39 HIS CB C 13 32.386 0.50 . 1 . . . . B 572 HIS CB . 30659 1 1311 . 2 2 39 39 HIS N N 15 116.321 0.25 . 1 . . . . B 572 HIS N . 30659 1 1312 . 2 2 40 40 PHE H H 1 7.398 0.03 . 1 . . . . B 573 PHE H . 30659 1 1313 . 2 2 40 40 PHE HA H 1 4.215 0.03 . 1 . . . . B 573 PHE HA . 30659 1 1314 . 2 2 40 40 PHE HB2 H 1 2.947 0.03 . 2 . . . . B 573 PHE HB2 . 30659 1 1315 . 2 2 40 40 PHE HB3 H 1 1.957 0.03 . 2 . . . . B 573 PHE HB3 . 30659 1 1316 . 2 2 40 40 PHE CA C 13 55.684 0.50 . 1 . . . . B 573 PHE CA . 30659 1 1317 . 2 2 40 40 PHE CB C 13 36.875 0.50 . 1 . . . . B 573 PHE CB . 30659 1 1318 . 2 2 40 40 PHE N N 15 125.830 0.25 . 1 . . . . B 573 PHE N . 30659 1 1319 . 2 2 41 41 VAL H H 1 6.653 0.03 . 1 . . . . B 574 VAL H . 30659 1 1320 . 2 2 41 41 VAL HA H 1 4.623 0.03 . 1 . . . . B 574 VAL HA . 30659 1 1321 . 2 2 41 41 VAL HB H 1 1.378 0.03 . 1 . . . . B 574 VAL HB . 30659 1 1322 . 2 2 41 41 VAL HG11 H 1 0.411 0.03 . 2 . . . . B 574 VAL HG11 . 30659 1 1323 . 2 2 41 41 VAL HG12 H 1 0.411 0.03 . 2 . . . . B 574 VAL HG12 . 30659 1 1324 . 2 2 41 41 VAL HG13 H 1 0.411 0.03 . 2 . . . . B 574 VAL HG13 . 30659 1 1325 . 2 2 41 41 VAL HG21 H 1 0.390 0.03 . 2 . . . . B 574 VAL HG21 . 30659 1 1326 . 2 2 41 41 VAL HG22 H 1 0.390 0.03 . 2 . . . . B 574 VAL HG22 . 30659 1 1327 . 2 2 41 41 VAL HG23 H 1 0.390 0.03 . 2 . . . . B 574 VAL HG23 . 30659 1 1328 . 2 2 41 41 VAL CA C 13 56.501 0.50 . 1 . . . . B 574 VAL CA . 30659 1 1329 . 2 2 41 41 VAL CB C 13 35.217 0.50 . 1 . . . . B 574 VAL CB . 30659 1 1330 . 2 2 41 41 VAL CG1 C 13 21.149 0.50 . 2 . . . . B 574 VAL CG1 . 30659 1 1331 . 2 2 41 41 VAL CG2 C 13 17.495 0.50 . 2 . . . . B 574 VAL CG2 . 30659 1 1332 . 2 2 41 41 VAL N N 15 114.142 0.25 . 1 . . . . B 574 VAL N . 30659 1 1333 . 2 2 42 42 CYS H H 1 8.307 0.03 . 1 . . . . B 575 CYS H . 30659 1 1334 . 2 2 42 42 CYS HA H 1 3.732 0.03 . 1 . . . . B 575 CYS HA . 30659 1 1335 . 2 2 42 42 CYS HB2 H 1 3.251 0.03 . 2 . . . . B 575 CYS HB2 . 30659 1 1336 . 2 2 42 42 CYS HB3 H 1 2.648 0.03 . 2 . . . . B 575 CYS HB3 . 30659 1 1337 . 2 2 42 42 CYS CA C 13 59.236 0.50 . 1 . . . . B 575 CYS CA . 30659 1 1338 . 2 2 42 42 CYS CB C 13 30.925 0.50 . 1 . . . . B 575 CYS CB . 30659 1 1339 . 2 2 42 42 CYS N N 15 122.511 0.25 . 1 . . . . B 575 CYS N . 30659 1 1340 . 2 2 43 43 ALA H H 1 8.801 0.03 . 1 . . . . B 576 ALA H . 30659 1 1341 . 2 2 43 43 ALA HA H 1 3.973 0.03 . 1 . . . . B 576 ALA HA . 30659 1 1342 . 2 2 43 43 ALA HB1 H 1 1.103 0.03 . 1 . . . . B 576 ALA HB1 . 30659 1 1343 . 2 2 43 43 ALA HB2 H 1 1.103 0.03 . 1 . . . . B 576 ALA HB2 . 30659 1 1344 . 2 2 43 43 ALA HB3 H 1 1.103 0.03 . 1 . . . . B 576 ALA HB3 . 30659 1 1345 . 2 2 43 43 ALA CA C 13 53.990 0.50 . 1 . . . . B 576 ALA CA . 30659 1 1346 . 2 2 43 43 ALA CB C 13 18.225 0.50 . 1 . . . . B 576 ALA CB . 30659 1 1347 . 2 2 43 43 ALA N N 15 130.518 0.25 . 1 . . . . B 576 ALA N . 30659 1 1348 . 2 2 44 44 PHE HA H 1 4.805 0.03 . 1 . . . . B 577 PHE HA . 30659 1 1349 . 2 2 44 44 PHE HB2 H 1 4.050 0.03 . 2 . . . . B 577 PHE HB2 . 30659 1 1350 . 2 2 44 44 PHE HB3 H 1 3.004 0.03 . 2 . . . . B 577 PHE HB3 . 30659 1 1351 . 2 2 44 44 PHE CA C 13 60.428 0.50 . 1 . . . . B 577 PHE CA . 30659 1 1352 . 2 2 44 44 PHE CB C 13 39.638 0.50 . 1 . . . . B 577 PHE CB . 30659 1 1353 . 2 2 45 45 CYS HA H 1 4.588 0.03 . 1 . . . . B 578 CYS HA . 30659 1 1354 . 2 2 45 45 CYS HB2 H 1 3.205 0.03 . 2 . . . . B 578 CYS HB2 . 30659 1 1355 . 2 2 45 45 CYS HB3 H 1 2.725 0.03 . 2 . . . . B 578 CYS HB3 . 30659 1 1356 . 2 2 45 45 CYS CA C 13 59.552 0.50 . 1 . . . . B 578 CYS CA . 30659 1 1357 . 2 2 45 45 CYS CB C 13 32.145 0.50 . 1 . . . . B 578 CYS CB . 30659 1 1358 . 2 2 46 46 LEU HA H 1 4.049 0.03 . 1 . . . . B 579 LEU HA . 30659 1 1359 . 2 2 46 46 LEU HB2 H 1 1.981 0.03 . 2 . . . . B 579 LEU HB2 . 30659 1 1360 . 2 2 46 46 LEU HB3 H 1 1.510 0.03 . 2 . . . . B 579 LEU HB3 . 30659 1 1361 . 2 2 46 46 LEU HG H 1 1.176 0.03 . 1 . . . . B 579 LEU HG . 30659 1 1362 . 2 2 46 46 LEU HD11 H 1 0.614 0.03 . 2 . . . . B 579 LEU HD11 . 30659 1 1363 . 2 2 46 46 LEU HD12 H 1 0.614 0.03 . 2 . . . . B 579 LEU HD12 . 30659 1 1364 . 2 2 46 46 LEU HD13 H 1 0.614 0.03 . 2 . . . . B 579 LEU HD13 . 30659 1 1365 . 2 2 46 46 LEU HD21 H 1 0.699 0.03 . 2 . . . . B 579 LEU HD21 . 30659 1 1366 . 2 2 46 46 LEU HD22 H 1 0.699 0.03 . 2 . . . . B 579 LEU HD22 . 30659 1 1367 . 2 2 46 46 LEU HD23 H 1 0.699 0.03 . 2 . . . . B 579 LEU HD23 . 30659 1 1368 . 2 2 46 46 LEU CA C 13 56.721 0.50 . 1 . . . . B 579 LEU CA . 30659 1 1369 . 2 2 46 46 LEU CB C 13 38.143 0.50 . 1 . . . . B 579 LEU CB . 30659 1 1370 . 2 2 46 46 LEU CG C 13 27.199 0.50 . 1 . . . . B 579 LEU CG . 30659 1 1371 . 2 2 46 46 LEU CD1 C 13 22.351 0.50 . 2 . . . . B 579 LEU CD1 . 30659 1 1372 . 2 2 46 46 LEU CD2 C 13 24.918 0.50 . 2 . . . . B 579 LEU CD2 . 30659 1 1373 . 2 2 47 47 LYS HA H 1 4.151 0.03 . 1 . . . . B 580 LYS HA . 30659 1 1374 . 2 2 47 47 LYS HB2 H 1 1.919 0.03 . 2 . . . . B 580 LYS HB2 . 30659 1 1375 . 2 2 47 47 LYS HB3 H 1 1.599 0.03 . 2 . . . . B 580 LYS HB3 . 30659 1 1376 . 2 2 47 47 LYS HG2 H 1 1.425 0.03 . 2 . . . . B 580 LYS HG2 . 30659 1 1377 . 2 2 47 47 LYS HG3 H 1 1.395 0.03 . 2 . . . . B 580 LYS HG3 . 30659 1 1378 . 2 2 47 47 LYS HD2 H 1 1.655 0.03 . 2 . . . . B 580 LYS HD2 . 30659 1 1379 . 2 2 47 47 LYS HE2 H 1 2.987 0.03 . 2 . . . . B 580 LYS HE2 . 30659 1 1380 . 2 2 47 47 LYS CA C 13 56.633 0.50 . 1 . . . . B 580 LYS CA . 30659 1 1381 . 2 2 47 47 LYS CB C 13 33.279 0.50 . 1 . . . . B 580 LYS CB . 30659 1 1382 . 2 2 47 47 LYS CG C 13 24.971 0.50 . 1 . . . . B 580 LYS CG . 30659 1 1383 . 2 2 47 47 LYS CD C 13 29.271 0.50 . 1 . . . . B 580 LYS CD . 30659 1 1384 . 2 2 47 47 LYS CE C 13 41.904 0.50 . 1 . . . . B 580 LYS CE . 30659 1 1385 . 2 2 48 48 GLN H H 1 8.391 0.03 . 1 . . . . B 581 GLN H . 30659 1 1386 . 2 2 48 48 GLN HA H 1 3.927 0.03 . 1 . . . . B 581 GLN HA . 30659 1 1387 . 2 2 48 48 GLN HB2 H 1 1.923 0.03 . 2 . . . . B 581 GLN HB2 . 30659 1 1388 . 2 2 48 48 GLN HB3 H 1 1.878 0.03 . 2 . . . . B 581 GLN HB3 . 30659 1 1389 . 2 2 48 48 GLN HG2 H 1 2.323 0.03 . 2 . . . . B 581 GLN HG2 . 30659 1 1390 . 2 2 48 48 GLN HG3 H 1 2.283 0.03 . 2 . . . . B 581 GLN HG3 . 30659 1 1391 . 2 2 48 48 GLN HE21 H 1 7.385 0.03 . 2 . . . . B 581 GLN HE21 . 30659 1 1392 . 2 2 48 48 GLN HE22 H 1 6.980 0.03 . 2 . . . . B 581 GLN HE22 . 30659 1 1393 . 2 2 48 48 GLN CA C 13 57.437 0.50 . 1 . . . . B 581 GLN CA . 30659 1 1394 . 2 2 48 48 GLN CB C 13 28.558 0.50 . 1 . . . . B 581 GLN CB . 30659 1 1395 . 2 2 48 48 GLN CG C 13 34.085 0.50 . 1 . . . . B 581 GLN CG . 30659 1 1396 . 2 2 48 48 GLN N N 15 121.740 0.25 . 1 . . . . B 581 GLN N . 30659 1 1397 . 2 2 48 48 GLN NE2 N 15 112.198 0.25 . 1 . . . . B 581 GLN NE2 . 30659 1 1398 . 2 2 49 49 LEU H H 1 8.103 0.03 . 1 . . . . B 582 LEU H . 30659 1 1399 . 2 2 49 49 LEU HA H 1 4.292 0.03 . 1 . . . . B 582 LEU HA . 30659 1 1400 . 2 2 49 49 LEU HB2 H 1 0.665 0.03 . 2 . . . . B 582 LEU HB2 . 30659 1 1401 . 2 2 49 49 LEU HB3 H 1 0.605 0.03 . 2 . . . . B 582 LEU HB3 . 30659 1 1402 . 2 2 49 49 LEU HG H 1 1.106 0.03 . 1 . . . . B 582 LEU HG . 30659 1 1403 . 2 2 49 49 LEU HD11 H 1 0.510 0.03 . 2 . . . . B 582 LEU HD11 . 30659 1 1404 . 2 2 49 49 LEU HD12 H 1 0.510 0.03 . 2 . . . . B 582 LEU HD12 . 30659 1 1405 . 2 2 49 49 LEU HD13 H 1 0.510 0.03 . 2 . . . . B 582 LEU HD13 . 30659 1 1406 . 2 2 49 49 LEU HD21 H 1 -0.470 0.03 . 2 . . . . B 582 LEU HD21 . 30659 1 1407 . 2 2 49 49 LEU HD22 H 1 -0.470 0.03 . 2 . . . . B 582 LEU HD22 . 30659 1 1408 . 2 2 49 49 LEU HD23 H 1 -0.470 0.03 . 2 . . . . B 582 LEU HD23 . 30659 1 1409 . 2 2 49 49 LEU CA C 13 53.096 0.50 . 1 . . . . B 582 LEU CA . 30659 1 1410 . 2 2 49 49 LEU CB C 13 43.606 0.50 . 1 . . . . B 582 LEU CB . 30659 1 1411 . 2 2 49 49 LEU CG C 13 25.621 0.50 . 1 . . . . B 582 LEU CG . 30659 1 1412 . 2 2 49 49 LEU CD1 C 13 22.186 0.50 . 2 . . . . B 582 LEU CD1 . 30659 1 1413 . 2 2 49 49 LEU CD2 C 13 25.940 0.50 . 2 . . . . B 582 LEU CD2 . 30659 1 1414 . 2 2 49 49 LEU N N 15 126.081 0.25 . 1 . . . . B 582 LEU N . 30659 1 1415 . 2 2 50 50 ASN H H 1 8.144 0.03 . 1 . . . . B 583 ASN H . 30659 1 1416 . 2 2 50 50 ASN HA H 1 4.838 0.03 . 1 . . . . B 583 ASN HA . 30659 1 1417 . 2 2 50 50 ASN HB2 H 1 2.901 0.03 . 2 . . . . B 583 ASN HB2 . 30659 1 1418 . 2 2 50 50 ASN HB3 H 1 2.783 0.03 . 2 . . . . B 583 ASN HB3 . 30659 1 1419 . 2 2 50 50 ASN HD21 H 1 7.665 0.03 . 2 . . . . B 583 ASN HD21 . 30659 1 1420 . 2 2 50 50 ASN HD22 H 1 6.950 0.03 . 2 . . . . B 583 ASN HD22 . 30659 1 1421 . 2 2 50 50 ASN CA C 13 51.974 0.50 . 1 . . . . B 583 ASN CA . 30659 1 1422 . 2 2 50 50 ASN CB C 13 40.846 0.50 . 1 . . . . B 583 ASN CB . 30659 1 1423 . 2 2 50 50 ASN N N 15 116.779 0.25 . 1 . . . . B 583 ASN N . 30659 1 1424 . 2 2 50 50 ASN ND2 N 15 114.769 0.25 . 1 . . . . B 583 ASN ND2 . 30659 1 1425 . 2 2 51 51 LYS H H 1 9.100 0.03 . 1 . . . . B 584 LYS H . 30659 1 1426 . 2 2 51 51 LYS HA H 1 4.155 0.03 . 1 . . . . B 584 LYS HA . 30659 1 1427 . 2 2 51 51 LYS HB2 H 1 1.819 0.03 . 2 . . . . B 584 LYS HB2 . 30659 1 1428 . 2 2 51 51 LYS HG2 H 1 1.434 0.03 . 2 . . . . B 584 LYS HG2 . 30659 1 1429 . 2 2 51 51 LYS HD2 H 1 1.663 0.03 . 2 . . . . B 584 LYS HD2 . 30659 1 1430 . 2 2 51 51 LYS HE2 H 1 3.000 0.03 . 2 . . . . B 584 LYS HE2 . 30659 1 1431 . 2 2 51 51 LYS CA C 13 59.010 0.50 . 1 . . . . B 584 LYS CA . 30659 1 1432 . 2 2 51 51 LYS CB C 13 31.941 0.50 . 1 . . . . B 584 LYS CB . 30659 1 1433 . 2 2 51 51 LYS CG C 13 24.742 0.50 . 1 . . . . B 584 LYS CG . 30659 1 1434 . 2 2 51 51 LYS CD C 13 29.183 0.50 . 1 . . . . B 584 LYS CD . 30659 1 1435 . 2 2 51 51 LYS CE C 13 41.986 0.50 . 1 . . . . B 584 LYS CE . 30659 1 1436 . 2 2 51 51 LYS N N 15 122.478 0.25 . 1 . . . . B 584 LYS N . 30659 1 1437 . 2 2 52 52 GLY H H 1 8.696 0.03 . 1 . . . . B 585 GLY H . 30659 1 1438 . 2 2 52 52 GLY HA2 H 1 4.123 0.03 . 2 . . . . B 585 GLY HA2 . 30659 1 1439 . 2 2 52 52 GLY HA3 H 1 3.912 0.03 . 2 . . . . B 585 GLY HA3 . 30659 1 1440 . 2 2 52 52 GLY CA C 13 45.325 0.50 . 1 . . . . B 585 GLY CA . 30659 1 1441 . 2 2 52 52 GLY N N 15 106.330 0.25 . 1 . . . . B 585 GLY N . 30659 1 1442 . 2 2 53 53 THR H H 1 7.593 0.03 . 1 . . . . B 586 THR H . 30659 1 1443 . 2 2 53 53 THR HA H 1 4.596 0.03 . 1 . . . . B 586 THR HA . 30659 1 1444 . 2 2 53 53 THR HB H 1 4.415 0.03 . 1 . . . . B 586 THR HB . 30659 1 1445 . 2 2 53 53 THR HG21 H 1 1.044 0.03 . 1 . . . . B 586 THR HG21 . 30659 1 1446 . 2 2 53 53 THR HG22 H 1 1.044 0.03 . 1 . . . . B 586 THR HG22 . 30659 1 1447 . 2 2 53 53 THR HG23 H 1 1.044 0.03 . 1 . . . . B 586 THR HG23 . 30659 1 1448 . 2 2 53 53 THR CA C 13 60.678 0.50 . 1 . . . . B 586 THR CA . 30659 1 1449 . 2 2 53 53 THR CB C 13 70.590 0.50 . 1 . . . . B 586 THR CB . 30659 1 1450 . 2 2 53 53 THR CG2 C 13 21.651 0.50 . 1 . . . . B 586 THR CG2 . 30659 1 1451 . 2 2 53 53 THR N N 15 107.766 0.25 . 1 . . . . B 586 THR N . 30659 1 1452 . 2 2 54 54 PHE H H 1 7.421 0.03 . 1 . . . . B 587 PHE H . 30659 1 1453 . 2 2 54 54 PHE HA H 1 4.999 0.03 . 1 . . . . B 587 PHE HA . 30659 1 1454 . 2 2 54 54 PHE HB2 H 1 2.932 0.03 . 2 . . . . B 587 PHE HB2 . 30659 1 1455 . 2 2 54 54 PHE HB3 H 1 2.861 0.03 . 2 . . . . B 587 PHE HB3 . 30659 1 1456 . 2 2 54 54 PHE CA C 13 56.023 0.50 . 1 . . . . B 587 PHE CA . 30659 1 1457 . 2 2 54 54 PHE CB C 13 41.609 0.50 . 1 . . . . B 587 PHE CB . 30659 1 1458 . 2 2 54 54 PHE N N 15 120.159 0.25 . 1 . . . . B 587 PHE N . 30659 1 1459 . 2 2 55 55 LYS H H 1 9.148 0.03 . 1 . . . . B 588 LYS H . 30659 1 1460 . 2 2 55 55 LYS HA H 1 4.112 0.03 . 1 . . . . B 588 LYS HA . 30659 1 1461 . 2 2 55 55 LYS HB2 H 1 1.036 0.03 . 2 . . . . B 588 LYS HB2 . 30659 1 1462 . 2 2 55 55 LYS HB3 H 1 0.758 0.03 . 2 . . . . B 588 LYS HB3 . 30659 1 1463 . 2 2 55 55 LYS HG2 H 1 0.588 0.03 . 2 . . . . B 588 LYS HG2 . 30659 1 1464 . 2 2 55 55 LYS HG3 H 1 0.828 0.03 . 2 . . . . B 588 LYS HG3 . 30659 1 1465 . 2 2 55 55 LYS HD2 H 1 1.010 0.03 . 2 . . . . B 588 LYS HD2 . 30659 1 1466 . 2 2 55 55 LYS HD3 H 1 0.885 0.03 . 2 . . . . B 588 LYS HD3 . 30659 1 1467 . 2 2 55 55 LYS HE2 H 1 2.335 0.03 . 2 . . . . B 588 LYS HE2 . 30659 1 1468 . 2 2 55 55 LYS HE3 H 1 2.220 0.03 . 2 . . . . B 588 LYS HE3 . 30659 1 1469 . 2 2 55 55 LYS CA C 13 52.812 0.50 . 1 . . . . B 588 LYS CA . 30659 1 1470 . 2 2 55 55 LYS CB C 13 34.908 0.50 . 1 . . . . B 588 LYS CB . 30659 1 1471 . 2 2 55 55 LYS CG C 13 23.379 0.50 . 1 . . . . B 588 LYS CG . 30659 1 1472 . 2 2 55 55 LYS CD C 13 27.100 0.50 . 1 . . . . B 588 LYS CD . 30659 1 1473 . 2 2 55 55 LYS CE C 13 41.369 0.50 . 1 . . . . B 588 LYS CE . 30659 1 1474 . 2 2 55 55 LYS N N 15 121.562 0.25 . 1 . . . . B 588 LYS N . 30659 1 1475 . 2 2 56 56 GLU H H 1 8.233 0.03 . 1 . . . . B 589 GLU H . 30659 1 1476 . 2 2 56 56 GLU HA H 1 5.297 0.03 . 1 . . . . B 589 GLU HA . 30659 1 1477 . 2 2 56 56 GLU HB2 H 1 1.944 0.03 . 2 . . . . B 589 GLU HB2 . 30659 1 1478 . 2 2 56 56 GLU HB3 H 1 1.874 0.03 . 2 . . . . B 589 GLU HB3 . 30659 1 1479 . 2 2 56 56 GLU HG2 H 1 2.134 0.03 . 2 . . . . B 589 GLU HG2 . 30659 1 1480 . 2 2 56 56 GLU HG3 H 1 2.044 0.03 . 2 . . . . B 589 GLU HG3 . 30659 1 1481 . 2 2 56 56 GLU CA C 13 54.654 0.50 . 1 . . . . B 589 GLU CA . 30659 1 1482 . 2 2 56 56 GLU CB C 13 32.097 0.50 . 1 . . . . B 589 GLU CB . 30659 1 1483 . 2 2 56 56 GLU CG C 13 36.184 0.50 . 1 . . . . B 589 GLU CG . 30659 1 1484 . 2 2 56 56 GLU N N 15 122.024 0.25 . 1 . . . . B 589 GLU N . 30659 1 1485 . 2 2 57 57 GLN H H 1 9.065 0.03 . 1 . . . . B 590 GLN H . 30659 1 1486 . 2 2 57 57 GLN HA H 1 4.253 0.03 . 1 . . . . B 590 GLN HA . 30659 1 1487 . 2 2 57 57 GLN HB2 H 1 1.182 0.03 . 2 . . . . B 590 GLN HB2 . 30659 1 1488 . 2 2 57 57 GLN HG2 H 1 1.518 0.03 . 2 . . . . B 590 GLN HG2 . 30659 1 1489 . 2 2 57 57 GLN HG3 H 1 1.468 0.03 . 2 . . . . B 590 GLN HG3 . 30659 1 1490 . 2 2 57 57 GLN HE21 H 1 6.865 0.03 . 2 . . . . B 590 GLN HE21 . 30659 1 1491 . 2 2 57 57 GLN HE22 H 1 6.665 0.03 . 2 . . . . B 590 GLN HE22 . 30659 1 1492 . 2 2 57 57 GLN CA C 13 56.352 0.50 . 1 . . . . B 590 GLN CA . 30659 1 1493 . 2 2 57 57 GLN CB C 13 31.540 0.50 . 1 . . . . B 590 GLN CB . 30659 1 1494 . 2 2 57 57 GLN CG C 13 31.260 0.50 . 1 . . . . B 590 GLN CG . 30659 1 1495 . 2 2 57 57 GLN N N 15 123.762 0.25 . 1 . . . . B 590 GLN N . 30659 1 1496 . 2 2 57 57 GLN NE2 N 15 110.589 0.25 . 1 . . . . B 590 GLN NE2 . 30659 1 1497 . 2 2 58 58 ASN H H 1 9.458 0.03 . 1 . . . . B 591 ASN H . 30659 1 1498 . 2 2 58 58 ASN HA H 1 4.240 0.03 . 1 . . . . B 591 ASN HA . 30659 1 1499 . 2 2 58 58 ASN HB2 H 1 2.997 0.03 . 2 . . . . B 591 ASN HB2 . 30659 1 1500 . 2 2 58 58 ASN HB3 H 1 2.753 0.03 . 2 . . . . B 591 ASN HB3 . 30659 1 1501 . 2 2 58 58 ASN HD21 H 1 7.735 0.03 . 2 . . . . B 591 ASN HD21 . 30659 1 1502 . 2 2 58 58 ASN HD22 H 1 6.905 0.03 . 2 . . . . B 591 ASN HD22 . 30659 1 1503 . 2 2 58 58 ASN CA C 13 54.385 0.50 . 1 . . . . B 591 ASN CA . 30659 1 1504 . 2 2 58 58 ASN CB C 13 36.934 0.50 . 1 . . . . B 591 ASN CB . 30659 1 1505 . 2 2 58 58 ASN N N 15 126.688 0.25 . 1 . . . . B 591 ASN N . 30659 1 1506 . 2 2 58 58 ASN ND2 N 15 112.528 0.25 . 1 . . . . B 591 ASN ND2 . 30659 1 1507 . 2 2 59 59 ASP H H 1 9.090 0.03 . 1 . . . . B 592 ASP H . 30659 1 1508 . 2 2 59 59 ASP HA H 1 4.161 0.03 . 1 . . . . B 592 ASP HA . 30659 1 1509 . 2 2 59 59 ASP HB2 H 1 2.969 0.03 . 2 . . . . B 592 ASP HB2 . 30659 1 1510 . 2 2 59 59 ASP HB3 H 1 2.683 0.03 . 2 . . . . B 592 ASP HB3 . 30659 1 1511 . 2 2 59 59 ASP CA C 13 55.791 0.50 . 1 . . . . B 592 ASP CA . 30659 1 1512 . 2 2 59 59 ASP CB C 13 40.202 0.50 . 1 . . . . B 592 ASP CB . 30659 1 1513 . 2 2 59 59 ASP N N 15 111.158 0.25 . 1 . . . . B 592 ASP N . 30659 1 1514 . 2 2 60 60 LYS H H 1 7.790 0.03 . 1 . . . . B 593 LYS H . 30659 1 1515 . 2 2 60 60 LYS HA H 1 4.767 0.03 . 1 . . . . B 593 LYS HA . 30659 1 1516 . 2 2 60 60 LYS HB2 H 1 1.868 0.03 . 2 . . . . B 593 LYS HB2 . 30659 1 1517 . 2 2 60 60 LYS HB3 H 1 1.363 0.03 . 2 . . . . B 593 LYS HB3 . 30659 1 1518 . 2 2 60 60 LYS HG2 H 1 1.665 0.03 . 2 . . . . B 593 LYS HG2 . 30659 1 1519 . 2 2 60 60 LYS HG3 H 1 1.514 0.03 . 2 . . . . B 593 LYS HG3 . 30659 1 1520 . 2 2 60 60 LYS HD2 H 1 1.670 0.03 . 2 . . . . B 593 LYS HD2 . 30659 1 1521 . 2 2 60 60 LYS HE2 H 1 3.022 0.03 . 2 . . . . B 593 LYS HE2 . 30659 1 1522 . 2 2 60 60 LYS CA C 13 53.047 0.50 . 1 . . . . B 593 LYS CA . 30659 1 1523 . 2 2 60 60 LYS CB C 13 34.935 0.50 . 1 . . . . B 593 LYS CB . 30659 1 1524 . 2 2 60 60 LYS CG C 13 24.980 0.50 . 1 . . . . B 593 LYS CG . 30659 1 1525 . 2 2 60 60 LYS CD C 13 28.980 0.50 . 1 . . . . B 593 LYS CD . 30659 1 1526 . 2 2 60 60 LYS CE C 13 42.390 0.50 . 1 . . . . B 593 LYS CE . 30659 1 1527 . 2 2 60 60 LYS N N 15 118.710 0.25 . 1 . . . . B 593 LYS N . 30659 1 1528 . 2 2 61 61 PRO HA H 1 5.130 0.03 . 1 . . . . B 594 PRO HA . 30659 1 1529 . 2 2 61 61 PRO HB2 H 1 1.616 0.03 . 2 . . . . B 594 PRO HB2 . 30659 1 1530 . 2 2 61 61 PRO HB3 H 1 1.064 0.03 . 2 . . . . B 594 PRO HB3 . 30659 1 1531 . 2 2 61 61 PRO HG2 H 1 2.131 0.03 . 2 . . . . B 594 PRO HG2 . 30659 1 1532 . 2 2 61 61 PRO HG3 H 1 1.411 0.03 . 2 . . . . B 594 PRO HG3 . 30659 1 1533 . 2 2 61 61 PRO HD2 H 1 3.611 0.03 . 2 . . . . B 594 PRO HD2 . 30659 1 1534 . 2 2 61 61 PRO HD3 H 1 3.526 0.03 . 2 . . . . B 594 PRO HD3 . 30659 1 1535 . 2 2 61 61 PRO CA C 13 60.908 0.50 . 1 . . . . B 594 PRO CA . 30659 1 1536 . 2 2 61 61 PRO CB C 13 31.927 0.50 . 1 . . . . B 594 PRO CB . 30659 1 1537 . 2 2 61 61 PRO CG C 13 25.151 0.50 . 1 . . . . B 594 PRO CG . 30659 1 1538 . 2 2 61 61 PRO CD C 13 49.582 0.50 . 1 . . . . B 594 PRO CD . 30659 1 1539 . 2 2 62 62 TYR H H 1 8.960 0.03 . 1 . . . . B 595 TYR H . 30659 1 1540 . 2 2 62 62 TYR HA H 1 5.711 0.03 . 1 . . . . B 595 TYR HA . 30659 1 1541 . 2 2 62 62 TYR HB2 H 1 3.388 0.03 . 2 . . . . B 595 TYR HB2 . 30659 1 1542 . 2 2 62 62 TYR HB3 H 1 2.671 0.03 . 2 . . . . B 595 TYR HB3 . 30659 1 1543 . 2 2 62 62 TYR CA C 13 56.805 0.50 . 1 . . . . B 595 TYR CA . 30659 1 1544 . 2 2 62 62 TYR CB C 13 43.914 0.50 . 1 . . . . B 595 TYR CB . 30659 1 1545 . 2 2 62 62 TYR N N 15 115.838 0.25 . 1 . . . . B 595 TYR N . 30659 1 1546 . 2 2 63 63 CYS H H 1 9.683 0.03 . 1 . . . . B 596 CYS H . 30659 1 1547 . 2 2 63 63 CYS HA H 1 4.828 0.03 . 1 . . . . B 596 CYS HA . 30659 1 1548 . 2 2 63 63 CYS HB2 H 1 3.397 0.03 . 2 . . . . B 596 CYS HB2 . 30659 1 1549 . 2 2 63 63 CYS HB3 H 1 2.803 0.03 . 2 . . . . B 596 CYS HB3 . 30659 1 1550 . 2 2 63 63 CYS CA C 13 57.383 0.50 . 1 . . . . B 596 CYS CA . 30659 1 1551 . 2 2 63 63 CYS CB C 13 30.749 0.50 . 1 . . . . B 596 CYS CB . 30659 1 1552 . 2 2 63 63 CYS N N 15 120.250 0.25 . 1 . . . . B 596 CYS N . 30659 1 1553 . 2 2 64 64 GLN H H 1 8.718 0.03 . 1 . . . . B 597 GLN H . 30659 1 1554 . 2 2 64 64 GLN HA H 1 3.864 0.03 . 1 . . . . B 597 GLN HA . 30659 1 1555 . 2 2 64 64 GLN HB2 H 1 2.022 0.03 . 2 . . . . B 597 GLN HB2 . 30659 1 1556 . 2 2 64 64 GLN HG2 H 1 2.327 0.03 . 2 . . . . B 597 GLN HG2 . 30659 1 1557 . 2 2 64 64 GLN HE21 H 1 7.305 0.03 . 2 . . . . B 597 GLN HE21 . 30659 1 1558 . 2 2 64 64 GLN HE22 H 1 6.805 0.03 . 2 . . . . B 597 GLN HE22 . 30659 1 1559 . 2 2 64 64 GLN CA C 13 59.544 0.50 . 1 . . . . B 597 GLN CA . 30659 1 1560 . 2 2 64 64 GLN CB C 13 28.152 0.50 . 1 . . . . B 597 GLN CB . 30659 1 1561 . 2 2 64 64 GLN CG C 13 33.661 0.50 . 1 . . . . B 597 GLN CG . 30659 1 1562 . 2 2 64 64 GLN N N 15 118.859 0.25 . 1 . . . . B 597 GLN N . 30659 1 1563 . 2 2 64 64 GLN NE2 N 15 110.981 0.25 . 1 . . . . B 597 GLN NE2 . 30659 1 1564 . 2 2 65 65 ASN H H 1 8.134 0.03 . 1 . . . . B 598 ASN H . 30659 1 1565 . 2 2 65 65 ASN HA H 1 4.398 0.03 . 1 . . . . B 598 ASN HA . 30659 1 1566 . 2 2 65 65 ASN HB2 H 1 2.995 0.03 . 2 . . . . B 598 ASN HB2 . 30659 1 1567 . 2 2 65 65 ASN HB3 H 1 2.812 0.03 . 2 . . . . B 598 ASN HB3 . 30659 1 1568 . 2 2 65 65 ASN HD21 H 1 7.815 0.03 . 2 . . . . B 598 ASN HD21 . 30659 1 1569 . 2 2 65 65 ASN HD22 H 1 6.970 0.03 . 2 . . . . B 598 ASN HD22 . 30659 1 1570 . 2 2 65 65 ASN CA C 13 56.839 0.50 . 1 . . . . B 598 ASN CA . 30659 1 1571 . 2 2 65 65 ASN CB C 13 38.591 0.50 . 1 . . . . B 598 ASN CB . 30659 1 1572 . 2 2 65 65 ASN N N 15 116.981 0.25 . 1 . . . . B 598 ASN N . 30659 1 1573 . 2 2 65 65 ASN ND2 N 15 113.671 0.25 . 1 . . . . B 598 ASN ND2 . 30659 1 1574 . 2 2 66 66 CYS H H 1 9.241 0.03 . 1 . . . . B 599 CYS H . 30659 1 1575 . 2 2 66 66 CYS HA H 1 3.787 0.03 . 1 . . . . B 599 CYS HA . 30659 1 1576 . 2 2 66 66 CYS HB2 H 1 3.198 0.03 . 2 . . . . B 599 CYS HB2 . 30659 1 1577 . 2 2 66 66 CYS HB3 H 1 2.885 0.03 . 2 . . . . B 599 CYS HB3 . 30659 1 1578 . 2 2 66 66 CYS CA C 13 65.037 0.50 . 1 . . . . B 599 CYS CA . 30659 1 1579 . 2 2 66 66 CYS CB C 13 29.266 0.50 . 1 . . . . B 599 CYS CB . 30659 1 1580 . 2 2 66 66 CYS N N 15 125.557 0.25 . 1 . . . . B 599 CYS N . 30659 1 1581 . 2 2 67 67 PHE H H 1 8.747 0.03 . 1 . . . . B 600 PHE H . 30659 1 1582 . 2 2 67 67 PHE HA H 1 3.825 0.03 . 1 . . . . B 600 PHE HA . 30659 1 1583 . 2 2 67 67 PHE HB2 H 1 3.093 0.03 . 2 . . . . B 600 PHE HB2 . 30659 1 1584 . 2 2 67 67 PHE HB3 H 1 2.950 0.03 . 2 . . . . B 600 PHE HB3 . 30659 1 1585 . 2 2 67 67 PHE CA C 13 61.524 0.50 . 1 . . . . B 600 PHE CA . 30659 1 1586 . 2 2 67 67 PHE CB C 13 39.655 0.50 . 1 . . . . B 600 PHE CB . 30659 1 1587 . 2 2 67 67 PHE N N 15 119.391 0.25 . 1 . . . . B 600 PHE N . 30659 1 1588 . 2 2 68 68 LEU H H 1 7.853 0.03 . 1 . . . . B 601 LEU H . 30659 1 1589 . 2 2 68 68 LEU HA H 1 3.918 0.03 . 1 . . . . B 601 LEU HA . 30659 1 1590 . 2 2 68 68 LEU HB2 H 1 1.811 0.03 . 2 . . . . B 601 LEU HB2 . 30659 1 1591 . 2 2 68 68 LEU HB3 H 1 1.495 0.03 . 2 . . . . B 601 LEU HB3 . 30659 1 1592 . 2 2 68 68 LEU HG H 1 1.860 0.03 . 1 . . . . B 601 LEU HG . 30659 1 1593 . 2 2 68 68 LEU HD11 H 1 0.893 0.03 . 2 . . . . B 601 LEU HD11 . 30659 1 1594 . 2 2 68 68 LEU HD12 H 1 0.893 0.03 . 2 . . . . B 601 LEU HD12 . 30659 1 1595 . 2 2 68 68 LEU HD13 H 1 0.893 0.03 . 2 . . . . B 601 LEU HD13 . 30659 1 1596 . 2 2 68 68 LEU HD21 H 1 0.883 0.03 . 2 . . . . B 601 LEU HD21 . 30659 1 1597 . 2 2 68 68 LEU HD22 H 1 0.883 0.03 . 2 . . . . B 601 LEU HD22 . 30659 1 1598 . 2 2 68 68 LEU HD23 H 1 0.883 0.03 . 2 . . . . B 601 LEU HD23 . 30659 1 1599 . 2 2 68 68 LEU CA C 13 57.582 0.50 . 1 . . . . B 601 LEU CA . 30659 1 1600 . 2 2 68 68 LEU CB C 13 42.135 0.50 . 1 . . . . B 601 LEU CB . 30659 1 1601 . 2 2 68 68 LEU CG C 13 27.086 0.50 . 1 . . . . B 601 LEU CG . 30659 1 1602 . 2 2 68 68 LEU CD1 C 13 23.475 0.50 . 2 . . . . B 601 LEU CD1 . 30659 1 1603 . 2 2 68 68 LEU CD2 C 13 24.867 0.50 . 2 . . . . B 601 LEU CD2 . 30659 1 1604 . 2 2 68 68 LEU N N 15 117.060 0.25 . 1 . . . . B 601 LEU N . 30659 1 1605 . 2 2 69 69 LYS H H 1 7.212 0.03 . 1 . . . . B 602 LYS H . 30659 1 1606 . 2 2 69 69 LYS HA H 1 3.812 0.03 . 1 . . . . B 602 LYS HA . 30659 1 1607 . 2 2 69 69 LYS HB2 H 1 1.643 0.03 . 2 . . . . B 602 LYS HB2 . 30659 1 1608 . 2 2 69 69 LYS HB3 H 1 1.522 0.03 . 2 . . . . B 602 LYS HB3 . 30659 1 1609 . 2 2 69 69 LYS HG2 H 1 1.244 0.03 . 2 . . . . B 602 LYS HG2 . 30659 1 1610 . 2 2 69 69 LYS HG3 H 1 1.150 0.03 . 2 . . . . B 602 LYS HG3 . 30659 1 1611 . 2 2 69 69 LYS HD2 H 1 1.426 0.03 . 2 . . . . B 602 LYS HD2 . 30659 1 1612 . 2 2 69 69 LYS HE2 H 1 2.794 0.03 . 2 . . . . B 602 LYS HE2 . 30659 1 1613 . 2 2 69 69 LYS HE3 H 1 2.724 0.03 . 2 . . . . B 602 LYS HE3 . 30659 1 1614 . 2 2 69 69 LYS CA C 13 58.141 0.50 . 1 . . . . B 602 LYS CA . 30659 1 1615 . 2 2 69 69 LYS CB C 13 32.603 0.50 . 1 . . . . B 602 LYS CB . 30659 1 1616 . 2 2 69 69 LYS CG C 13 24.442 0.50 . 1 . . . . B 602 LYS CG . 30659 1 1617 . 2 2 69 69 LYS CD C 13 28.937 0.50 . 1 . . . . B 602 LYS CD . 30659 1 1618 . 2 2 69 69 LYS CE C 13 41.827 0.50 . 1 . . . . B 602 LYS CE . 30659 1 1619 . 2 2 69 69 LYS N N 15 117.274 0.25 . 1 . . . . B 602 LYS N . 30659 1 1620 . 2 2 70 70 LEU HA H 1 3.536 0.03 . 1 . . . . B 603 LEU HA . 30659 1 1621 . 2 2 70 70 LEU HG H 1 0.888 0.03 . 1 . . . . B 603 LEU HG . 30659 1 1622 . 2 2 70 70 LEU HD11 H 1 0.005 0.03 . 2 . . . . B 603 LEU HD11 . 30659 1 1623 . 2 2 70 70 LEU HD12 H 1 0.005 0.03 . 2 . . . . B 603 LEU HD12 . 30659 1 1624 . 2 2 70 70 LEU HD13 H 1 0.005 0.03 . 2 . . . . B 603 LEU HD13 . 30659 1 1625 . 2 2 70 70 LEU HD21 H 1 -0.219 0.03 . 2 . . . . B 603 LEU HD21 . 30659 1 1626 . 2 2 70 70 LEU HD22 H 1 -0.219 0.03 . 2 . . . . B 603 LEU HD22 . 30659 1 1627 . 2 2 70 70 LEU HD23 H 1 -0.219 0.03 . 2 . . . . B 603 LEU HD23 . 30659 1 1628 . 2 2 70 70 LEU CA C 13 56.201 0.50 . 1 . . . . B 603 LEU CA . 30659 1 1629 . 2 2 70 70 LEU CB C 13 41.470 0.50 . 1 . . . . B 603 LEU CB . 30659 1 1630 . 2 2 70 70 LEU CG C 13 26.319 0.50 . 1 . . . . B 603 LEU CG . 30659 1 1631 . 2 2 70 70 LEU CD1 C 13 21.371 0.50 . 2 . . . . B 603 LEU CD1 . 30659 1 1632 . 2 2 70 70 LEU CD2 C 13 24.933 0.50 . 2 . . . . B 603 LEU CD2 . 30659 1 1633 . 2 2 71 71 PHE HA H 1 4.654 0.03 . 1 . . . . B 604 PHE HA . 30659 1 1634 . 2 2 71 71 PHE HB2 H 1 2.834 0.03 . 2 . . . . B 604 PHE HB2 . 30659 1 1635 . 2 2 71 71 PHE CA C 13 56.691 0.50 . 1 . . . . B 604 PHE CA . 30659 1 1636 . 2 2 71 71 PHE CB C 13 39.397 0.50 . 1 . . . . B 604 PHE CB . 30659 1 1637 . 2 2 72 72 CYS HA H 1 4.350 0.03 . 1 . . . . B 605 CYS HA . 30659 1 1638 . 2 2 72 72 CYS HB2 H 1 3.000 0.03 . 2 . . . . B 605 CYS HB2 . 30659 1 1639 . 2 2 72 72 CYS HB3 H 1 2.885 0.03 . 2 . . . . B 605 CYS HB3 . 30659 1 1640 . 2 2 72 72 CYS CA C 13 59.280 0.50 . 1 . . . . B 605 CYS CA . 30659 1 1641 . 2 2 72 72 CYS CB C 13 29.450 0.50 . 1 . . . . B 605 CYS CB . 30659 1 stop_ save_