data_25347 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25347 _Entry.Title ; Solution structure of 53BP1 tandem Tudor domains in complex with a p53K370me2 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-15 _Entry.Accession_date 2014-11-15 _Entry.Last_release_date 2014-11-18 _Entry.Original_release_date 2014-11-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Gaofeng Cui . . . . 25347 2 'Maria Victoria' Botuyan . . . . 25347 3 Georges Mer . . . . 25347 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25347 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 53BP1 . 25347 'Cell cycle' . 25347 'DNA damage response' . 25347 'Lysine methylation' . 25347 'Tudor domain' . 25347 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25347 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 585 25347 '15N chemical shifts' 116 25347 '1H chemical shifts' 940 25347 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-03-29 2014-11-15 update BMRB 'update entry citation' 25347 1 . . 2014-12-08 2014-11-15 original author 'original release' 25347 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25348 '53BP1 tandem Tudor domains in complex with a p53K382me2 peptide' 25347 PDB 2MWO 'BMRB Entry Tracking System' 25347 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25347 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.str.2014.11.013 _Citation.PubMed_ID 25579814 _Citation.Full_citation . _Citation.Title ; Structural plasticity of methyllysine recognition by the tandem tudor domain of 53BP1. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 23 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 312 _Citation.Page_last 321 _Citation.Year 2015 _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 Qiong Tong . . . . 25347 1 2 Gaofeng Cui . . . . 25347 1 3 'Maria Victoria' Botuyan . . . . 25347 1 4 Scott Rothbart . B. . . 25347 1 5 Ryo Hayashi . . . . 25347 1 6 Catherine Musselman . A. . . 25347 1 7 Namit Singh . . . . 25347 1 8 Ettore Appela . . . . 25347 1 9 Brian Strahl . D. . . 25347 1 10 Georges Mer . . . . 25347 1 11 Tatiana Kutateladze . G. . . 25347 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25347 _Assembly.ID 1 _Assembly.Name '53BP1 tandem Tudor domains in complex with a p53K370me2 peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 . yes native no no . . . 25347 1 2 entity_2 2 $entity_2 B . yes native no no . . . 25347 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25347 _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 ; GHMNSFVGLRVVAKWSSNGY FYSGKITRDVGAGKYKLLFD DGYECDVLGKDILLCDPIPL DTEVTALSEDEYFSAGVVKG HRKESGELYYSIEKEGQRKW YKRMAVILSLEQGNRLREQY GLG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13944.895 _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 -3 GLY . 25347 1 2 -2 HIS . 25347 1 3 -1 MET . 25347 1 4 1484 ASN . 25347 1 5 1485 SER . 25347 1 6 1486 PHE . 25347 1 7 1487 VAL . 25347 1 8 1488 GLY . 25347 1 9 1489 LEU . 25347 1 10 1490 ARG . 25347 1 11 1491 VAL . 25347 1 12 1492 VAL . 25347 1 13 1493 ALA . 25347 1 14 1494 LYS . 25347 1 15 1495 TRP . 25347 1 16 1496 SER . 25347 1 17 1497 SER . 25347 1 18 1498 ASN . 25347 1 19 1499 GLY . 25347 1 20 1500 TYR . 25347 1 21 1501 PHE . 25347 1 22 1502 TYR . 25347 1 23 1503 SER . 25347 1 24 1504 GLY . 25347 1 25 1505 LYS . 25347 1 26 1506 ILE . 25347 1 27 1507 THR . 25347 1 28 1508 ARG . 25347 1 29 1509 ASP . 25347 1 30 1510 VAL . 25347 1 31 1511 GLY . 25347 1 32 1512 ALA . 25347 1 33 1513 GLY . 25347 1 34 1514 LYS . 25347 1 35 1515 TYR . 25347 1 36 1516 LYS . 25347 1 37 1517 LEU . 25347 1 38 1518 LEU . 25347 1 39 1519 PHE . 25347 1 40 1520 ASP . 25347 1 41 1521 ASP . 25347 1 42 1522 GLY . 25347 1 43 1523 TYR . 25347 1 44 1524 GLU . 25347 1 45 1525 CYS . 25347 1 46 1526 ASP . 25347 1 47 1527 VAL . 25347 1 48 1528 LEU . 25347 1 49 1529 GLY . 25347 1 50 1530 LYS . 25347 1 51 1531 ASP . 25347 1 52 1532 ILE . 25347 1 53 1533 LEU . 25347 1 54 1534 LEU . 25347 1 55 1535 CYS . 25347 1 56 1536 ASP . 25347 1 57 1537 PRO . 25347 1 58 1538 ILE . 25347 1 59 1539 PRO . 25347 1 60 1540 LEU . 25347 1 61 1541 ASP . 25347 1 62 1542 THR . 25347 1 63 1543 GLU . 25347 1 64 1544 VAL . 25347 1 65 1545 THR . 25347 1 66 1546 ALA . 25347 1 67 1547 LEU . 25347 1 68 1548 SER . 25347 1 69 1549 GLU . 25347 1 70 1550 ASP . 25347 1 71 1551 GLU . 25347 1 72 1552 TYR . 25347 1 73 1553 PHE . 25347 1 74 1554 SER . 25347 1 75 1555 ALA . 25347 1 76 1556 GLY . 25347 1 77 1557 VAL . 25347 1 78 1558 VAL . 25347 1 79 1559 LYS . 25347 1 80 1560 GLY . 25347 1 81 1561 HIS . 25347 1 82 1562 ARG . 25347 1 83 1563 LYS . 25347 1 84 1564 GLU . 25347 1 85 1565 SER . 25347 1 86 1566 GLY . 25347 1 87 1567 GLU . 25347 1 88 1568 LEU . 25347 1 89 1569 TYR . 25347 1 90 1570 TYR . 25347 1 91 1571 SER . 25347 1 92 1572 ILE . 25347 1 93 1573 GLU . 25347 1 94 1574 LYS . 25347 1 95 1575 GLU . 25347 1 96 1576 GLY . 25347 1 97 1577 GLN . 25347 1 98 1578 ARG . 25347 1 99 1579 LYS . 25347 1 100 1580 TRP . 25347 1 101 1581 TYR . 25347 1 102 1582 LYS . 25347 1 103 1583 ARG . 25347 1 104 1584 MET . 25347 1 105 1585 ALA . 25347 1 106 1586 VAL . 25347 1 107 1587 ILE . 25347 1 108 1588 LEU . 25347 1 109 1589 SER . 25347 1 110 1590 LEU . 25347 1 111 1591 GLU . 25347 1 112 1592 GLN . 25347 1 113 1593 GLY . 25347 1 114 1594 ASN . 25347 1 115 1595 ARG . 25347 1 116 1596 LEU . 25347 1 117 1597 ARG . 25347 1 118 1598 GLU . 25347 1 119 1599 GLN . 25347 1 120 1600 TYR . 25347 1 121 1601 GLY . 25347 1 122 1602 LEU . 25347 1 123 1603 GLY . 25347 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 25347 1 . HIS 2 2 25347 1 . MET 3 3 25347 1 . ASN 4 4 25347 1 . SER 5 5 25347 1 . PHE 6 6 25347 1 . VAL 7 7 25347 1 . GLY 8 8 25347 1 . LEU 9 9 25347 1 . ARG 10 10 25347 1 . VAL 11 11 25347 1 . VAL 12 12 25347 1 . ALA 13 13 25347 1 . LYS 14 14 25347 1 . TRP 15 15 25347 1 . SER 16 16 25347 1 . SER 17 17 25347 1 . ASN 18 18 25347 1 . GLY 19 19 25347 1 . TYR 20 20 25347 1 . PHE 21 21 25347 1 . TYR 22 22 25347 1 . SER 23 23 25347 1 . GLY 24 24 25347 1 . LYS 25 25 25347 1 . ILE 26 26 25347 1 . THR 27 27 25347 1 . ARG 28 28 25347 1 . ASP 29 29 25347 1 . VAL 30 30 25347 1 . GLY 31 31 25347 1 . ALA 32 32 25347 1 . GLY 33 33 25347 1 . LYS 34 34 25347 1 . TYR 35 35 25347 1 . LYS 36 36 25347 1 . LEU 37 37 25347 1 . LEU 38 38 25347 1 . PHE 39 39 25347 1 . ASP 40 40 25347 1 . ASP 41 41 25347 1 . GLY 42 42 25347 1 . TYR 43 43 25347 1 . GLU 44 44 25347 1 . CYS 45 45 25347 1 . ASP 46 46 25347 1 . VAL 47 47 25347 1 . LEU 48 48 25347 1 . GLY 49 49 25347 1 . LYS 50 50 25347 1 . ASP 51 51 25347 1 . ILE 52 52 25347 1 . LEU 53 53 25347 1 . LEU 54 54 25347 1 . CYS 55 55 25347 1 . ASP 56 56 25347 1 . PRO 57 57 25347 1 . ILE 58 58 25347 1 . PRO 59 59 25347 1 . LEU 60 60 25347 1 . ASP 61 61 25347 1 . THR 62 62 25347 1 . GLU 63 63 25347 1 . VAL 64 64 25347 1 . THR 65 65 25347 1 . ALA 66 66 25347 1 . LEU 67 67 25347 1 . SER 68 68 25347 1 . GLU 69 69 25347 1 . ASP 70 70 25347 1 . GLU 71 71 25347 1 . TYR 72 72 25347 1 . PHE 73 73 25347 1 . SER 74 74 25347 1 . ALA 75 75 25347 1 . GLY 76 76 25347 1 . VAL 77 77 25347 1 . VAL 78 78 25347 1 . LYS 79 79 25347 1 . GLY 80 80 25347 1 . HIS 81 81 25347 1 . ARG 82 82 25347 1 . LYS 83 83 25347 1 . GLU 84 84 25347 1 . SER 85 85 25347 1 . GLY 86 86 25347 1 . GLU 87 87 25347 1 . LEU 88 88 25347 1 . TYR 89 89 25347 1 . TYR 90 90 25347 1 . SER 91 91 25347 1 . ILE 92 92 25347 1 . GLU 93 93 25347 1 . LYS 94 94 25347 1 . GLU 95 95 25347 1 . GLY 96 96 25347 1 . GLN 97 97 25347 1 . ARG 98 98 25347 1 . LYS 99 99 25347 1 . TRP 100 100 25347 1 . TYR 101 101 25347 1 . LYS 102 102 25347 1 . ARG 103 103 25347 1 . MET 104 104 25347 1 . ALA 105 105 25347 1 . VAL 106 106 25347 1 . ILE 107 107 25347 1 . LEU 108 108 25347 1 . SER 109 109 25347 1 . LEU 110 110 25347 1 . GLU 111 111 25347 1 . GLN 112 112 25347 1 . GLY 113 113 25347 1 . ASN 114 114 25347 1 . ARG 115 115 25347 1 . LEU 116 116 25347 1 . ARG 117 117 25347 1 . GLU 118 118 25347 1 . GLN 119 119 25347 1 . TYR 120 120 25347 1 . GLY 121 121 25347 1 . LEU 122 122 25347 1 . GLY 123 123 25347 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 25347 _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 ; RAHSSHLXSKKGQST ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1540.761 _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 1 363 ARG . 25347 2 2 364 ALA . 25347 2 3 365 HIS . 25347 2 4 366 SER . 25347 2 5 367 SER . 25347 2 6 368 HIS . 25347 2 7 369 LEU . 25347 2 8 370 MLY . 25347 2 9 371 SER . 25347 2 10 372 LYS . 25347 2 11 373 LYS . 25347 2 12 374 GLY . 25347 2 13 375 GLN . 25347 2 14 376 SER . 25347 2 15 377 THR . 25347 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 . ARG 1 1 25347 2 . ALA 2 2 25347 2 . HIS 3 3 25347 2 . SER 4 4 25347 2 . SER 5 5 25347 2 . HIS 6 6 25347 2 . LEU 7 7 25347 2 . MLY 8 8 25347 2 . SER 9 9 25347 2 . LYS 10 10 25347 2 . LYS 11 11 25347 2 . GLY 12 12 25347 2 . GLN 13 13 25347 2 . SER 14 14 25347 2 . THR 15 15 25347 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25347 _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 . . . . . . . . . . . . . 25347 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25347 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 25347 _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' . . . Escherichia coli . . . . . . pTEV . . . 25347 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 25347 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MLY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MLY _Chem_comp.Entry_ID 25347 _Chem_comp.ID MLY _Chem_comp.Provenance PDB _Chem_comp.Name N-DIMETHYL-LYSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code MLY _Chem_comp.PDB_code MLY _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 TRG _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code MLY _Chem_comp.Number_atoms_all 30 _Chem_comp.Number_atoms_nh 12 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1 _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 LYS _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C8 H18 N2 O2' _Chem_comp.Formula_weight 174.241 _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 2MYS _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 CN(C)CCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 25347 MLY CN(C)CCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25347 MLY CN(C)CCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 25347 MLY CN(C)CCCC[CH](N)C(O)=O SMILES CACTVS 3.341 25347 MLY InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1 InChI InChI 1.03 25347 MLY O=C(O)C(N)CCCCN(C)C SMILES ACDLabs 10.04 25347 MLY XXEWFEBMSGLYBY-ZETCQYMHSA-N InChIKey InChI 1.03 25347 MLY 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 '(2S)-2-amino-6-dimethylamino-hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25347 MLY N~6~,N~6~-dimethyl-L-lysine 'SYSTEMATIC NAME' ACDLabs 10.04 25347 MLY 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 N N N N . N . . N 0 . . . 1 no no . . . . 30.897 . 32.013 . 86.595 . -1.796 -0.012 -2.201 1 . 25347 MLY CA CA CA CA . C . . S 0 . . . 1 no no . . . . 30.008 . 31.772 . 85.465 . -0.408 0.467 -2.256 2 . 25347 MLY CB CB CB CB . C . . N 0 . . . 1 no no . . . . 28.866 . 32.726 . 85.430 . 0.352 -0.033 -1.026 3 . 25347 MLY CG CG CG CG . C . . N 0 . . . 1 no no . . . . 27.670 . 32.308 . 86.280 . -0.321 0.496 0.240 4 . 25347 MLY CD CD CD CD . C . . N 0 . . . 1 no no . . . . 27.216 . 30.876 . 86.047 . 0.439 -0.003 1.470 5 . 25347 MLY CE CE CE CE . C . . N 0 . . . 1 no no . . . . 25.708 . 30.712 . 86.248 . -0.233 0.526 2.737 6 . 25347 MLY NZ NZ NZ NZ . N . . N 0 . . . 1 no no . . . . 25.277 . 29.321 . 86.461 . 0.496 0.045 3.917 7 . 25347 MLY CH1 CH1 CH1 CH1 . C . . N 0 . . . 1 no no . . . . 23.809 . 29.228 . 86.351 . -0.197 0.587 5.093 8 . 25347 MLY CH2 CH2 CH2 CH2 . C . . N 0 . . . 1 no no . . . . 25.992 . 28.420 . 85.520 . 0.321 -1.412 3.958 9 . 25347 MLY C C C C . C . . N 0 . . . 1 no no . . . . 30.734 . 31.700 . 84.129 . 0.254 -0.054 -3.504 10 . 25347 MLY O O O O . O . . N 0 . . . 1 no no . . . . 31.846 . 32.183 . 83.971 . -0.089 -1.113 -3.973 11 . 25347 MLY OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 30.115 . 31.026 . 83.149 . 1.227 0.656 -4.095 12 . 25347 MLY H H H 1HN . H . . N 0 . . . 1 no no . . . . 31.679 . 31.359 . 86.619 . -2.166 0.271 -1.307 13 . 25347 MLY H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 30.383 . 32.004 . 87.476 . -1.754 -1.020 -2.191 14 . 25347 MLY HA HA HA HA . H . . N 0 . . . 1 no no . . . . 29.580 . 30.756 . 85.633 . -0.401 1.557 -2.269 15 . 25347 MLY HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 29.205 . 33.749 . 85.713 . 1.381 0.322 -1.067 16 . 25347 MLY HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 28.548 . 32.914 . 84.377 . 0.344 -1.123 -1.013 17 . 25347 MLY HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 27.878 . 32.481 . 87.361 . -1.350 0.141 0.281 18 . 25347 MLY HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 26.820 . 33.016 . 86.136 . -0.313 1.586 0.227 19 . 25347 MLY HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . 27.532 . 30.509 . 85.042 . 1.469 0.352 1.429 20 . 25347 MLY HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . 27.788 . 30.161 . 86.683 . 0.432 -1.093 1.483 21 . 25347 MLY HE2 HE2 HE2 1HE . H . . N 0 . . . 1 no no . . . . 25.351 . 31.363 . 87.080 . -1.263 0.170 2.777 22 . 25347 MLY HE3 HE3 HE3 2HE . H . . N 0 . . . 1 no no . . . . 25.148 . 31.168 . 85.398 . -0.226 1.616 2.724 23 . 25347 MLY HH11 HH11 HH11 1HC1 . H . . N 0 . . . 0 no no . . . . 23.482 . 28.174 . 86.512 . 0.310 0.256 5.999 24 . 25347 MLY HH12 HH12 HH12 2HC1 . H . . N 0 . . . 0 no no . . . . 23.291 . 29.936 . 87.039 . -0.190 1.676 5.050 25 . 25347 MLY HH13 HH13 HH13 3HC1 . H . . N 0 . . . 0 no no . . . . 23.434 . 29.638 . 85.384 . -1.227 0.230 5.103 26 . 25347 MLY HH21 HH21 HH21 1HC2 . H . . N 0 . . . 0 no no . . . . 25.665 . 27.366 . 85.681 . 0.822 -1.862 3.101 27 . 25347 MLY HH22 HH22 HH22 2HC2 . H . . N 0 . . . 0 no no . . . . 25.867 . 28.739 . 84.458 . 0.753 -1.804 4.878 28 . 25347 MLY HH23 HH23 HH23 3HC2 . H . . N 0 . . . 0 no no . . . . 27.099 . 28.531 . 85.593 . -0.741 -1.651 3.925 29 . 25347 MLY HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 30.568 . 30.981 . 82.315 . 1.653 0.321 -4.896 30 . 25347 MLY stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 25347 MLY 2 . SING N H no N 2 . 25347 MLY 3 . SING N H2 no N 3 . 25347 MLY 4 . SING CA CB no N 4 . 25347 MLY 5 . SING CA C no N 5 . 25347 MLY 6 . SING CA HA no N 6 . 25347 MLY 7 . SING CB CG no N 7 . 25347 MLY 8 . SING CB HB2 no N 8 . 25347 MLY 9 . SING CB HB3 no N 9 . 25347 MLY 10 . SING CG CD no N 10 . 25347 MLY 11 . SING CG HG2 no N 11 . 25347 MLY 12 . SING CG HG3 no N 12 . 25347 MLY 13 . SING CD CE no N 13 . 25347 MLY 14 . SING CD HD2 no N 14 . 25347 MLY 15 . SING CD HD3 no N 15 . 25347 MLY 16 . SING CE NZ no N 16 . 25347 MLY 17 . SING CE HE2 no N 17 . 25347 MLY 18 . SING CE HE3 no N 18 . 25347 MLY 19 . SING NZ CH1 no N 19 . 25347 MLY 20 . SING NZ CH2 no N 20 . 25347 MLY 21 . SING CH1 HH11 no N 21 . 25347 MLY 22 . SING CH1 HH12 no N 22 . 25347 MLY 23 . SING CH1 HH13 no N 23 . 25347 MLY 24 . SING CH2 HH21 no N 24 . 25347 MLY 25 . SING CH2 HH22 no N 25 . 25347 MLY 26 . SING CH2 HH23 no N 26 . 25347 MLY 27 . DOUB C O no N 27 . 25347 MLY 28 . SING C OXT no N 28 . 25347 MLY 29 . SING OXT HXT no N 29 . 25347 MLY stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25347 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25347 1 2 'sodium azide' 'natural abundance' . . . . . . 1.5 . . mM . . . . 25347 1 3 53BP1-Tudor '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2.0 . . mM . . . . 25347 1 4 p53K370me2 'natural abundance' . . 2 $entity_2 . . 6.0 . . mM . . . . 25347 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25347 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25347 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25347 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25347 2 2 'sodium azide' 'natural abundance' . . . . . . 1.5 . . mM . . . . 25347 2 3 53BP1-Tudor '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2.0 . . mM . . . . 25347 2 4 p53K370me2 'natural abundance' . . 2 $entity_2 . . 6.0 . . mM . . . . 25347 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25347 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25347 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25347 3 2 'sodium azide' 'natural abundance' . . . . . . 1.5 . . mM . . . . 25347 3 3 53BP1-Tudor 'natural abundance' . . 1 $entity_1 . . 5.0 . . mM . . . . 25347 3 4 p53Kc370me2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 2.0 . . mM . . . . 25347 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25347 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25347 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25347 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25347 4 2 'sodium azide' 'natural abundance' . . . . . . 1.5 . . mM . . . . 25347 4 3 53BP1-Tudor 'natural abundance' . . 1 $entity_1 . . 5.0 . . mM . . . . 25347 4 4 p53Kc370me2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 2.0 . . mM . . . . 25347 4 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25347 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 25347 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25347 5 2 'sodium azide' 'natural abundance' . . . . . . 1.5 . . mM . . . . 25347 5 3 53BP1-Tudor '[U-100% 15N]' . . 1 $entity_1 . . 2.0 . . mM . . . . 25347 5 4 p53K370me2 'natural abundance' . . 2 $entity_2 . . 6.0 . . mM . . . . 25347 5 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25347 5 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25347 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 25347 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 35 . . mM . . . . 25347 6 2 'sodium azide' 'natural abundance' . . . . . . 1.5 . . mM . . . . 25347 6 3 p53K370me2 'natural abundance' . . 2 $entity_2 . . 2.0 . . mM . . . . 25347 6 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25347 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 25347 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25347 7 2 'sodium azide' 'natural abundance' . . . . . . 1.5 . . mM . . . . 25347 7 3 p53Kc370me2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 2.0 . . mM . . . . 25347 7 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25347 7 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25347 7 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 25347 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 25347 1 pH 7.5 . pH 25347 1 pressure 1 . atm 25347 1 temperature 298 . K 25347 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 25347 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25347 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25347 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25347 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25347 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25347 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25347 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25347 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25347 3 stop_ save_ save_SANE _Software.Sf_category software _Software.Sf_framecode SANE _Software.Entry_ID 25347 _Software.ID 4 _Software.Name SANE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Duggan, Legge, Dyson & Wright' . . 25347 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25347 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25347 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25347 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25347 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25347 _Software.ID 6 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25347 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25347 6 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25347 _Software.ID 7 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25347 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25347 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25347 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25347 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 700 . . . 25347 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 25347 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 8 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 11 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 13 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 15 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 17 '3D 1H-15N TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 18 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 19 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 20 '3D 1H-15N NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 21 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 22 '3D Filtered (15N/13C)-Edited (13C)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 23 '3D Filtered (15N/13C)-Edited (13C)' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 24 '3D (HB)CB(CGCD)HD' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 25 '2D 1H-13C HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 26 '2D 1H-13C HSQC' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 27 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25347 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25347 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.00 na indirect 0.251449530 . . . . . 25347 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25347 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25347 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25347 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 '2D 1H-15N HSQC' . . . 25347 1 2 '2D 1H-15N HSQC' . . . 25347 1 3 '2D 1H-13C HSQC' . . . 25347 1 4 '2D 1H-13C HSQC' . . . 25347 1 5 '2D 1H-13C HSQC aromatic' . . . 25347 1 6 '3D HNCA' . . . 25347 1 7 '3D HNCACB' . . . 25347 1 8 '3D HNCACB' . . . 25347 1 9 '3D HNCO' . . . 25347 1 10 '3D CBCA(CO)NH' . . . 25347 1 11 '3D HN(CA)CO' . . . 25347 1 12 '3D H(CCO)NH' . . . 25347 1 14 '3D HBHA(CO)NH' . . . 25347 1 15 '3D (H)CCH-TOCSY' . . . 25347 1 17 '3D 1H-15N TOCSY' . . . 25347 1 18 '3D 1H-13C NOESY aliphatic' . . . 25347 1 19 '3D 1H-13C NOESY aromatic' . . . 25347 1 24 '3D (HB)CB(CGCD)HD' . . . 25347 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.772 0.03 . 2 . . . A -3 GLY HA2 . 25347 1 2 . 1 1 1 1 GLY HA3 H 1 3.772 0.03 . 2 . . . A -3 GLY HA3 . 25347 1 3 . 1 1 1 1 GLY CA C 13 44.063 0.30 . 1 . . . A -3 GLY CA . 25347 1 4 . 1 1 2 2 HIS HA H 1 4.672 0.03 . 1 . . . A -2 HIS HA . 25347 1 5 . 1 1 2 2 HIS HB2 H 1 3.098 0.03 . 2 . . . A -2 HIS HB2 . 25347 1 6 . 1 1 2 2 HIS HB3 H 1 3.098 0.03 . 2 . . . A -2 HIS HB3 . 25347 1 7 . 1 1 2 2 HIS HD2 H 1 7.012 0.03 . 1 . . . A -2 HIS HD2 . 25347 1 8 . 1 1 2 2 HIS HE1 H 1 7.797 0.03 . 1 . . . A -2 HIS HE1 . 25347 1 9 . 1 1 2 2 HIS CA C 13 56.734 0.30 . 1 . . . A -2 HIS CA . 25347 1 10 . 1 1 2 2 HIS CB C 13 31.478 0.30 . 1 . . . A -2 HIS CB . 25347 1 11 . 1 1 2 2 HIS CD2 C 13 119.682 0.30 . 1 . . . A -2 HIS CD2 . 25347 1 12 . 1 1 2 2 HIS CE1 C 13 138.788 0.30 . 1 . . . A -2 HIS CE1 . 25347 1 13 . 1 1 3 3 MET HA H 1 4.469 0.03 . 1 . . . A -1 MET HA . 25347 1 14 . 1 1 3 3 MET HB2 H 1 1.926 0.03 . 2 . . . A -1 MET HB2 . 25347 1 15 . 1 1 3 3 MET HB3 H 1 2.032 0.03 . 2 . . . A -1 MET HB3 . 25347 1 16 . 1 1 3 3 MET HG2 H 1 2.441 0.03 . 2 . . . A -1 MET HG2 . 25347 1 17 . 1 1 3 3 MET HG3 H 1 2.150 0.03 . 2 . . . A -1 MET HG3 . 25347 1 18 . 1 1 3 3 MET HE1 H 1 2.104 0.03 . 1 . . . A -1 MET HE1 . 25347 1 19 . 1 1 3 3 MET HE2 H 1 2.104 0.03 . 1 . . . A -1 MET HE2 . 25347 1 20 . 1 1 3 3 MET HE3 H 1 2.104 0.03 . 1 . . . A -1 MET HE3 . 25347 1 21 . 1 1 3 3 MET CA C 13 55.381 0.30 . 1 . . . A -1 MET CA . 25347 1 22 . 1 1 3 3 MET CB C 13 32.874 0.30 . 1 . . . A -1 MET CB . 25347 1 23 . 1 1 3 3 MET CG C 13 31.946 0.30 . 1 . . . A -1 MET CG . 25347 1 24 . 1 1 3 3 MET CE C 13 16.966 0.30 . 1 . . . A -1 MET CE . 25347 1 25 . 1 1 4 4 ASN HA H 1 4.619 0.03 . 1 . . . A 1484 ASN HA . 25347 1 26 . 1 1 4 4 ASN HB2 H 1 2.720 0.03 . 2 . . . A 1484 ASN HB2 . 25347 1 27 . 1 1 4 4 ASN HB3 H 1 2.720 0.03 . 2 . . . A 1484 ASN HB3 . 25347 1 28 . 1 1 4 4 ASN HD21 H 1 7.617 0.03 . 2 . . . A 1484 ASN HD21 . 25347 1 29 . 1 1 4 4 ASN HD22 H 1 6.944 0.03 . 2 . . . A 1484 ASN HD22 . 25347 1 30 . 1 1 4 4 ASN CA C 13 53.532 0.30 . 1 . . . A 1484 ASN CA . 25347 1 31 . 1 1 4 4 ASN CB C 13 39.232 0.30 . 1 . . . A 1484 ASN CB . 25347 1 32 . 1 1 4 4 ASN ND2 N 15 113.169 0.30 . 1 . . . A 1484 ASN ND2 . 25347 1 33 . 1 1 5 5 SER H H 1 7.824 0.03 . 1 . . . A 1485 SER H . 25347 1 34 . 1 1 5 5 SER HA H 1 4.433 0.03 . 1 . . . A 1485 SER HA . 25347 1 35 . 1 1 5 5 SER HB2 H 1 3.833 0.03 . 2 . . . A 1485 SER HB2 . 25347 1 36 . 1 1 5 5 SER HB3 H 1 3.685 0.03 . 2 . . . A 1485 SER HB3 . 25347 1 37 . 1 1 5 5 SER C C 13 174.740 0.30 . 1 . . . A 1485 SER C . 25347 1 38 . 1 1 5 5 SER CA C 13 57.800 0.30 . 1 . . . A 1485 SER CA . 25347 1 39 . 1 1 5 5 SER CB C 13 63.927 0.30 . 1 . . . A 1485 SER CB . 25347 1 40 . 1 1 5 5 SER N N 15 114.332 0.30 . 1 . . . A 1485 SER N . 25347 1 41 . 1 1 6 6 PHE H H 1 8.974 0.03 . 1 . . . A 1486 PHE H . 25347 1 42 . 1 1 6 6 PHE HA H 1 4.720 0.03 . 1 . . . A 1486 PHE HA . 25347 1 43 . 1 1 6 6 PHE HB2 H 1 3.250 0.03 . 2 . . . A 1486 PHE HB2 . 25347 1 44 . 1 1 6 6 PHE HB3 H 1 2.669 0.03 . 2 . . . A 1486 PHE HB3 . 25347 1 45 . 1 1 6 6 PHE HD1 H 1 7.146 0.03 . 3 . . . A 1486 PHE HD1 . 25347 1 46 . 1 1 6 6 PHE HD2 H 1 7.146 0.03 . 3 . . . A 1486 PHE HD2 . 25347 1 47 . 1 1 6 6 PHE HE1 H 1 7.304 0.03 . 3 . . . A 1486 PHE HE1 . 25347 1 48 . 1 1 6 6 PHE HE2 H 1 7.304 0.03 . 3 . . . A 1486 PHE HE2 . 25347 1 49 . 1 1 6 6 PHE HZ H 1 7.268 0.03 . 1 . . . A 1486 PHE HZ . 25347 1 50 . 1 1 6 6 PHE C C 13 175.260 0.30 . 1 . . . A 1486 PHE C . 25347 1 51 . 1 1 6 6 PHE CA C 13 57.609 0.30 . 1 . . . A 1486 PHE CA . 25347 1 52 . 1 1 6 6 PHE CB C 13 39.395 0.30 . 1 . . . A 1486 PHE CB . 25347 1 53 . 1 1 6 6 PHE CD1 C 13 131.408 0.30 . 3 . . . A 1486 PHE CD1 . 25347 1 54 . 1 1 6 6 PHE CD2 C 13 131.408 0.30 . 3 . . . A 1486 PHE CD2 . 25347 1 55 . 1 1 6 6 PHE CE1 C 13 131.319 0.30 . 3 . . . A 1486 PHE CE1 . 25347 1 56 . 1 1 6 6 PHE CE2 C 13 131.319 0.30 . 3 . . . A 1486 PHE CE2 . 25347 1 57 . 1 1 6 6 PHE CZ C 13 129.489 0.30 . 1 . . . A 1486 PHE CZ . 25347 1 58 . 1 1 6 6 PHE N N 15 122.758 0.30 . 1 . . . A 1486 PHE N . 25347 1 59 . 1 1 7 7 VAL H H 1 7.730 0.03 . 1 . . . A 1487 VAL H . 25347 1 60 . 1 1 7 7 VAL HA H 1 3.273 0.03 . 1 . . . A 1487 VAL HA . 25347 1 61 . 1 1 7 7 VAL HB H 1 1.981 0.03 . 1 . . . A 1487 VAL HB . 25347 1 62 . 1 1 7 7 VAL HG11 H 1 0.883 0.03 . 2 . . . A 1487 VAL HG11 . 25347 1 63 . 1 1 7 7 VAL HG12 H 1 0.883 0.03 . 2 . . . A 1487 VAL HG12 . 25347 1 64 . 1 1 7 7 VAL HG13 H 1 0.883 0.03 . 2 . . . A 1487 VAL HG13 . 25347 1 65 . 1 1 7 7 VAL HG21 H 1 1.043 0.03 . 2 . . . A 1487 VAL HG21 . 25347 1 66 . 1 1 7 7 VAL HG22 H 1 1.043 0.03 . 2 . . . A 1487 VAL HG22 . 25347 1 67 . 1 1 7 7 VAL HG23 H 1 1.043 0.03 . 2 . . . A 1487 VAL HG23 . 25347 1 68 . 1 1 7 7 VAL C C 13 177.270 0.30 . 1 . . . A 1487 VAL C . 25347 1 69 . 1 1 7 7 VAL CA C 13 65.878 0.30 . 1 . . . A 1487 VAL CA . 25347 1 70 . 1 1 7 7 VAL CB C 13 31.007 0.30 . 1 . . . A 1487 VAL CB . 25347 1 71 . 1 1 7 7 VAL CG1 C 13 21.563 0.30 . 1 . . . A 1487 VAL CG1 . 25347 1 72 . 1 1 7 7 VAL CG2 C 13 22.942 0.30 . 1 . . . A 1487 VAL CG2 . 25347 1 73 . 1 1 7 7 VAL N N 15 118.346 0.30 . 1 . . . A 1487 VAL N . 25347 1 74 . 1 1 8 8 GLY H H 1 8.970 0.03 . 1 . . . A 1488 GLY H . 25347 1 75 . 1 1 8 8 GLY HA2 H 1 4.432 0.03 . 2 . . . A 1488 GLY HA2 . 25347 1 76 . 1 1 8 8 GLY HA3 H 1 3.665 0.03 . 2 . . . A 1488 GLY HA3 . 25347 1 77 . 1 1 8 8 GLY C C 13 174.197 0.30 . 1 . . . A 1488 GLY C . 25347 1 78 . 1 1 8 8 GLY CA C 13 44.888 0.30 . 1 . . . A 1488 GLY CA . 25347 1 79 . 1 1 8 8 GLY N N 15 116.531 0.30 . 1 . . . A 1488 GLY N . 25347 1 80 . 1 1 9 9 LEU H H 1 7.593 0.03 . 1 . . . A 1489 LEU H . 25347 1 81 . 1 1 9 9 LEU HA H 1 4.297 0.03 . 1 . . . A 1489 LEU HA . 25347 1 82 . 1 1 9 9 LEU HB2 H 1 1.516 0.03 . 2 . . . A 1489 LEU HB2 . 25347 1 83 . 1 1 9 9 LEU HB3 H 1 1.767 0.03 . 2 . . . A 1489 LEU HB3 . 25347 1 84 . 1 1 9 9 LEU HG H 1 1.642 0.03 . 1 . . . A 1489 LEU HG . 25347 1 85 . 1 1 9 9 LEU HD11 H 1 0.911 0.03 . 2 . . . A 1489 LEU HD11 . 25347 1 86 . 1 1 9 9 LEU HD12 H 1 0.911 0.03 . 2 . . . A 1489 LEU HD12 . 25347 1 87 . 1 1 9 9 LEU HD13 H 1 0.911 0.03 . 2 . . . A 1489 LEU HD13 . 25347 1 88 . 1 1 9 9 LEU HD21 H 1 1.066 0.03 . 2 . . . A 1489 LEU HD21 . 25347 1 89 . 1 1 9 9 LEU HD22 H 1 1.066 0.03 . 2 . . . A 1489 LEU HD22 . 25347 1 90 . 1 1 9 9 LEU HD23 H 1 1.066 0.03 . 2 . . . A 1489 LEU HD23 . 25347 1 91 . 1 1 9 9 LEU C C 13 176.803 0.30 . 1 . . . A 1489 LEU C . 25347 1 92 . 1 1 9 9 LEU CA C 13 55.275 0.30 . 1 . . . A 1489 LEU CA . 25347 1 93 . 1 1 9 9 LEU CB C 13 41.744 0.30 . 1 . . . A 1489 LEU CB . 25347 1 94 . 1 1 9 9 LEU CG C 13 26.860 0.30 . 1 . . . A 1489 LEU CG . 25347 1 95 . 1 1 9 9 LEU CD1 C 13 22.615 0.30 . 1 . . . A 1489 LEU CD1 . 25347 1 96 . 1 1 9 9 LEU CD2 C 13 26.633 0.30 . 1 . . . A 1489 LEU CD2 . 25347 1 97 . 1 1 9 9 LEU N N 15 120.267 0.30 . 1 . . . A 1489 LEU N . 25347 1 98 . 1 1 10 10 ARG H H 1 8.286 0.03 . 1 . . . A 1490 ARG H . 25347 1 99 . 1 1 10 10 ARG HA H 1 4.760 0.03 . 1 . . . A 1490 ARG HA . 25347 1 100 . 1 1 10 10 ARG HB2 H 1 1.772 0.03 . 2 . . . A 1490 ARG HB2 . 25347 1 101 . 1 1 10 10 ARG HB3 H 1 1.943 0.03 . 2 . . . A 1490 ARG HB3 . 25347 1 102 . 1 1 10 10 ARG HG2 H 1 1.674 0.03 . 2 . . . A 1490 ARG HG2 . 25347 1 103 . 1 1 10 10 ARG HG3 H 1 1.764 0.03 . 2 . . . A 1490 ARG HG3 . 25347 1 104 . 1 1 10 10 ARG HD2 H 1 3.092 0.03 . 2 . . . A 1490 ARG HD2 . 25347 1 105 . 1 1 10 10 ARG HD3 H 1 3.092 0.03 . 2 . . . A 1490 ARG HD3 . 25347 1 106 . 1 1 10 10 ARG HE H 1 6.894 0.03 . 1 . . . A 1490 ARG HE . 25347 1 107 . 1 1 10 10 ARG C C 13 175.486 0.30 . 1 . . . A 1490 ARG C . 25347 1 108 . 1 1 10 10 ARG CA C 13 56.866 0.30 . 1 . . . A 1490 ARG CA . 25347 1 109 . 1 1 10 10 ARG CB C 13 30.274 0.30 . 1 . . . A 1490 ARG CB . 25347 1 110 . 1 1 10 10 ARG CG C 13 29.350 0.30 . 1 . . . A 1490 ARG CG . 25347 1 111 . 1 1 10 10 ARG CD C 13 42.131 0.30 . 1 . . . A 1490 ARG CD . 25347 1 112 . 1 1 10 10 ARG N N 15 120.564 0.30 . 1 . . . A 1490 ARG N . 25347 1 113 . 1 1 11 11 VAL H H 1 8.330 0.03 . 1 . . . A 1491 VAL H . 25347 1 114 . 1 1 11 11 VAL HA H 1 4.981 0.03 . 1 . . . A 1491 VAL HA . 25347 1 115 . 1 1 11 11 VAL HB H 1 2.283 0.03 . 1 . . . A 1491 VAL HB . 25347 1 116 . 1 1 11 11 VAL HG11 H 1 0.401 0.03 . 2 . . . A 1491 VAL HG11 . 25347 1 117 . 1 1 11 11 VAL HG12 H 1 0.401 0.03 . 2 . . . A 1491 VAL HG12 . 25347 1 118 . 1 1 11 11 VAL HG13 H 1 0.401 0.03 . 2 . . . A 1491 VAL HG13 . 25347 1 119 . 1 1 11 11 VAL HG21 H 1 0.724 0.03 . 2 . . . A 1491 VAL HG21 . 25347 1 120 . 1 1 11 11 VAL HG22 H 1 0.724 0.03 . 2 . . . A 1491 VAL HG22 . 25347 1 121 . 1 1 11 11 VAL HG23 H 1 0.724 0.03 . 2 . . . A 1491 VAL HG23 . 25347 1 122 . 1 1 11 11 VAL C C 13 176.053 0.30 . 1 . . . A 1491 VAL C . 25347 1 123 . 1 1 11 11 VAL CA C 13 58.549 0.30 . 1 . . . A 1491 VAL CA . 25347 1 124 . 1 1 11 11 VAL CB C 13 36.564 0.30 . 1 . . . A 1491 VAL CB . 25347 1 125 . 1 1 11 11 VAL CG1 C 13 18.330 0.30 . 1 . . . A 1491 VAL CG1 . 25347 1 126 . 1 1 11 11 VAL CG2 C 13 22.594 0.30 . 1 . . . A 1491 VAL CG2 . 25347 1 127 . 1 1 11 11 VAL N N 15 110.442 0.30 . 1 . . . A 1491 VAL N . 25347 1 128 . 1 1 12 12 VAL H H 1 8.659 0.03 . 1 . . . A 1492 VAL H . 25347 1 129 . 1 1 12 12 VAL HA H 1 5.120 0.03 . 1 . . . A 1492 VAL HA . 25347 1 130 . 1 1 12 12 VAL HB H 1 1.917 0.03 . 1 . . . A 1492 VAL HB . 25347 1 131 . 1 1 12 12 VAL HG11 H 1 0.872 0.03 . 2 . . . A 1492 VAL HG11 . 25347 1 132 . 1 1 12 12 VAL HG12 H 1 0.872 0.03 . 2 . . . A 1492 VAL HG12 . 25347 1 133 . 1 1 12 12 VAL HG13 H 1 0.872 0.03 . 2 . . . A 1492 VAL HG13 . 25347 1 134 . 1 1 12 12 VAL HG21 H 1 0.863 0.03 . 2 . . . A 1492 VAL HG21 . 25347 1 135 . 1 1 12 12 VAL HG22 H 1 0.863 0.03 . 2 . . . A 1492 VAL HG22 . 25347 1 136 . 1 1 12 12 VAL HG23 H 1 0.863 0.03 . 2 . . . A 1492 VAL HG23 . 25347 1 137 . 1 1 12 12 VAL C C 13 175.118 0.30 . 1 . . . A 1492 VAL C . 25347 1 138 . 1 1 12 12 VAL CA C 13 61.195 0.30 . 1 . . . A 1492 VAL CA . 25347 1 139 . 1 1 12 12 VAL CB C 13 33.772 0.30 . 1 . . . A 1492 VAL CB . 25347 1 140 . 1 1 12 12 VAL CG1 C 13 22.128 0.30 . 1 . . . A 1492 VAL CG1 . 25347 1 141 . 1 1 12 12 VAL CG2 C 13 21.364 0.30 . 1 . . . A 1492 VAL CG2 . 25347 1 142 . 1 1 12 12 VAL N N 15 116.787 0.30 . 1 . . . A 1492 VAL N . 25347 1 143 . 1 1 13 13 ALA H H 1 9.839 0.03 . 1 . . . A 1493 ALA H . 25347 1 144 . 1 1 13 13 ALA HA H 1 5.867 0.03 . 1 . . . A 1493 ALA HA . 25347 1 145 . 1 1 13 13 ALA HB1 H 1 1.476 0.03 . 1 . . . A 1493 ALA HB1 . 25347 1 146 . 1 1 13 13 ALA HB2 H 1 1.476 0.03 . 1 . . . A 1493 ALA HB2 . 25347 1 147 . 1 1 13 13 ALA HB3 H 1 1.476 0.03 . 1 . . . A 1493 ALA HB3 . 25347 1 148 . 1 1 13 13 ALA C C 13 175.415 0.30 . 1 . . . A 1493 ALA C . 25347 1 149 . 1 1 13 13 ALA CA C 13 51.265 0.30 . 1 . . . A 1493 ALA CA . 25347 1 150 . 1 1 13 13 ALA CB C 13 25.088 0.30 . 1 . . . A 1493 ALA CB . 25347 1 151 . 1 1 13 13 ALA N N 15 126.829 0.30 . 1 . . . A 1493 ALA N . 25347 1 152 . 1 1 14 14 LYS H H 1 8.185 0.03 . 1 . . . A 1494 LYS H . 25347 1 153 . 1 1 14 14 LYS HA H 1 4.478 0.03 . 1 . . . A 1494 LYS HA . 25347 1 154 . 1 1 14 14 LYS HB2 H 1 0.566 0.03 . 2 . . . A 1494 LYS HB2 . 25347 1 155 . 1 1 14 14 LYS HB3 H 1 1.179 0.03 . 2 . . . A 1494 LYS HB3 . 25347 1 156 . 1 1 14 14 LYS HG2 H 1 0.866 0.03 . 2 . . . A 1494 LYS HG2 . 25347 1 157 . 1 1 14 14 LYS HG3 H 1 0.642 0.03 . 2 . . . A 1494 LYS HG3 . 25347 1 158 . 1 1 14 14 LYS HD2 H 1 1.053 0.03 . 2 . . . A 1494 LYS HD2 . 25347 1 159 . 1 1 14 14 LYS HD3 H 1 1.241 0.03 . 2 . . . A 1494 LYS HD3 . 25347 1 160 . 1 1 14 14 LYS HE2 H 1 2.649 0.03 . 2 . . . A 1494 LYS HE2 . 25347 1 161 . 1 1 14 14 LYS HE3 H 1 2.731 0.03 . 2 . . . A 1494 LYS HE3 . 25347 1 162 . 1 1 14 14 LYS CA C 13 55.091 0.30 . 1 . . . A 1494 LYS CA . 25347 1 163 . 1 1 14 14 LYS CB C 13 34.255 0.30 . 1 . . . A 1494 LYS CB . 25347 1 164 . 1 1 14 14 LYS CG C 13 23.110 0.30 . 1 . . . A 1494 LYS CG . 25347 1 165 . 1 1 14 14 LYS CD C 13 29.565 0.30 . 1 . . . A 1494 LYS CD . 25347 1 166 . 1 1 14 14 LYS CE C 13 41.880 0.30 . 1 . . . A 1494 LYS CE . 25347 1 167 . 1 1 14 14 LYS N N 15 123.962 0.30 . 1 . . . A 1494 LYS N . 25347 1 168 . 1 1 15 15 TRP HA H 1 4.704 0.03 . 1 . . . A 1495 TRP HA . 25347 1 169 . 1 1 15 15 TRP HB2 H 1 3.098 0.03 . 2 . . . A 1495 TRP HB2 . 25347 1 170 . 1 1 15 15 TRP HB3 H 1 3.098 0.03 . 2 . . . A 1495 TRP HB3 . 25347 1 171 . 1 1 15 15 TRP HD1 H 1 7.306 0.03 . 1 . . . A 1495 TRP HD1 . 25347 1 172 . 1 1 15 15 TRP HE3 H 1 7.212 0.03 . 1 . . . A 1495 TRP HE3 . 25347 1 173 . 1 1 15 15 TRP HZ2 H 1 7.044 0.03 . 1 . . . A 1495 TRP HZ2 . 25347 1 174 . 1 1 15 15 TRP HZ3 H 1 7.136 0.03 . 1 . . . A 1495 TRP HZ3 . 25347 1 175 . 1 1 15 15 TRP HH2 H 1 6.826 0.03 . 1 . . . A 1495 TRP HH2 . 25347 1 176 . 1 1 15 15 TRP CA C 13 56.880 0.30 . 1 . . . A 1495 TRP CA . 25347 1 177 . 1 1 15 15 TRP CB C 13 31.447 0.30 . 1 . . . A 1495 TRP CB . 25347 1 178 . 1 1 15 15 TRP CD1 C 13 128.439 0.30 . 1 . . . A 1495 TRP CD1 . 25347 1 179 . 1 1 15 15 TRP CZ2 C 13 114.395 0.30 . 1 . . . A 1495 TRP CZ2 . 25347 1 180 . 1 1 15 15 TRP CH2 C 13 124.755 0.30 . 1 . . . A 1495 TRP CH2 . 25347 1 181 . 1 1 16 16 SER HA H 1 4.268 0.03 . 1 . . . A 1496 SER HA . 25347 1 182 . 1 1 16 16 SER HB2 H 1 3.589 0.03 . 2 . . . A 1496 SER HB2 . 25347 1 183 . 1 1 16 16 SER HB3 H 1 3.317 0.03 . 2 . . . A 1496 SER HB3 . 25347 1 184 . 1 1 16 16 SER CA C 13 58.440 0.30 . 1 . . . A 1496 SER CA . 25347 1 185 . 1 1 16 16 SER CB C 13 64.123 0.30 . 1 . . . A 1496 SER CB . 25347 1 186 . 1 1 17 17 SER HA H 1 4.465 0.03 . 1 . . . A 1497 SER HA . 25347 1 187 . 1 1 17 17 SER HB2 H 1 3.940 0.03 . 2 . . . A 1497 SER HB2 . 25347 1 188 . 1 1 17 17 SER HB3 H 1 3.597 0.03 . 2 . . . A 1497 SER HB3 . 25347 1 189 . 1 1 17 17 SER CA C 13 58.560 0.30 . 1 . . . A 1497 SER CA . 25347 1 190 . 1 1 17 17 SER CB C 13 63.980 0.30 . 1 . . . A 1497 SER CB . 25347 1 191 . 1 1 18 18 ASN HA H 1 4.953 0.03 . 1 . . . A 1498 ASN HA . 25347 1 192 . 1 1 18 18 ASN HB2 H 1 2.977 0.03 . 2 . . . A 1498 ASN HB2 . 25347 1 193 . 1 1 18 18 ASN HB3 H 1 3.313 0.03 . 2 . . . A 1498 ASN HB3 . 25347 1 194 . 1 1 18 18 ASN HD22 H 1 7.458 0.03 . 2 . . . A 1498 ASN HD22 . 25347 1 195 . 1 1 18 18 ASN CA C 13 52.451 0.30 . 1 . . . A 1498 ASN CA . 25347 1 196 . 1 1 18 18 ASN CB C 13 39.874 0.30 . 1 . . . A 1498 ASN CB . 25347 1 197 . 1 1 18 18 ASN ND2 N 15 110.183 0.30 . 1 . . . A 1498 ASN ND2 . 25347 1 198 . 1 1 19 19 GLY HA2 H 1 3.645 0.03 . 2 . . . A 1499 GLY HA2 . 25347 1 199 . 1 1 19 19 GLY HA3 H 1 3.809 0.03 . 2 . . . A 1499 GLY HA3 . 25347 1 200 . 1 1 19 19 GLY CA C 13 47.043 0.30 . 1 . . . A 1499 GLY CA . 25347 1 201 . 1 1 20 20 TYR H H 1 7.720 0.03 . 1 . . . A 1500 TYR H . 25347 1 202 . 1 1 20 20 TYR HA H 1 4.846 0.03 . 1 . . . A 1500 TYR HA . 25347 1 203 . 1 1 20 20 TYR HB2 H 1 2.297 0.03 . 2 . . . A 1500 TYR HB2 . 25347 1 204 . 1 1 20 20 TYR HB3 H 1 2.297 0.03 . 2 . . . A 1500 TYR HB3 . 25347 1 205 . 1 1 20 20 TYR HD1 H 1 6.831 0.03 . 3 . . . A 1500 TYR HD1 . 25347 1 206 . 1 1 20 20 TYR HD2 H 1 6.831 0.03 . 3 . . . A 1500 TYR HD2 . 25347 1 207 . 1 1 20 20 TYR HE1 H 1 6.796 0.03 . 3 . . . A 1500 TYR HE1 . 25347 1 208 . 1 1 20 20 TYR HE2 H 1 6.796 0.03 . 3 . . . A 1500 TYR HE2 . 25347 1 209 . 1 1 20 20 TYR C C 13 175.189 0.30 . 1 . . . A 1500 TYR C . 25347 1 210 . 1 1 20 20 TYR CA C 13 57.564 0.30 . 1 . . . A 1500 TYR CA . 25347 1 211 . 1 1 20 20 TYR CB C 13 39.894 0.30 . 1 . . . A 1500 TYR CB . 25347 1 212 . 1 1 20 20 TYR CD1 C 13 133.014 0.30 . 3 . . . A 1500 TYR CD1 . 25347 1 213 . 1 1 20 20 TYR CD2 C 13 133.014 0.30 . 3 . . . A 1500 TYR CD2 . 25347 1 214 . 1 1 20 20 TYR CE1 C 13 118.262 0.30 . 3 . . . A 1500 TYR CE1 . 25347 1 215 . 1 1 20 20 TYR CE2 C 13 118.262 0.30 . 3 . . . A 1500 TYR CE2 . 25347 1 216 . 1 1 20 20 TYR N N 15 115.026 0.30 . 1 . . . A 1500 TYR N . 25347 1 217 . 1 1 21 21 PHE H H 1 9.793 0.03 . 1 . . . A 1501 PHE H . 25347 1 218 . 1 1 21 21 PHE HA H 1 5.089 0.03 . 1 . . . A 1501 PHE HA . 25347 1 219 . 1 1 21 21 PHE HB2 H 1 3.028 0.03 . 2 . . . A 1501 PHE HB2 . 25347 1 220 . 1 1 21 21 PHE HB3 H 1 2.586 0.03 . 2 . . . A 1501 PHE HB3 . 25347 1 221 . 1 1 21 21 PHE HD1 H 1 6.952 0.03 . 3 . . . A 1501 PHE HD1 . 25347 1 222 . 1 1 21 21 PHE HD2 H 1 6.952 0.03 . 3 . . . A 1501 PHE HD2 . 25347 1 223 . 1 1 21 21 PHE HE1 H 1 7.080 0.03 . 3 . . . A 1501 PHE HE1 . 25347 1 224 . 1 1 21 21 PHE HE2 H 1 7.080 0.03 . 3 . . . A 1501 PHE HE2 . 25347 1 225 . 1 1 21 21 PHE HZ H 1 7.142 0.03 . 1 . . . A 1501 PHE HZ . 25347 1 226 . 1 1 21 21 PHE C C 13 175.288 0.30 . 1 . . . A 1501 PHE C . 25347 1 227 . 1 1 21 21 PHE CA C 13 55.533 0.30 . 1 . . . A 1501 PHE CA . 25347 1 228 . 1 1 21 21 PHE CB C 13 40.650 0.30 . 1 . . . A 1501 PHE CB . 25347 1 229 . 1 1 21 21 PHE CD1 C 13 131.484 0.30 . 3 . . . A 1501 PHE CD1 . 25347 1 230 . 1 1 21 21 PHE CD2 C 13 131.484 0.30 . 3 . . . A 1501 PHE CD2 . 25347 1 231 . 1 1 21 21 PHE CE1 C 13 131.468 0.30 . 3 . . . A 1501 PHE CE1 . 25347 1 232 . 1 1 21 21 PHE CE2 C 13 131.468 0.30 . 3 . . . A 1501 PHE CE2 . 25347 1 233 . 1 1 21 21 PHE CZ C 13 129.436 0.30 . 1 . . . A 1501 PHE CZ . 25347 1 234 . 1 1 21 21 PHE N N 15 117.565 0.30 . 1 . . . A 1501 PHE N . 25347 1 235 . 1 1 22 22 TYR H H 1 9.104 0.03 . 1 . . . A 1502 TYR H . 25347 1 236 . 1 1 22 22 TYR HA H 1 5.094 0.03 . 1 . . . A 1502 TYR HA . 25347 1 237 . 1 1 22 22 TYR HB2 H 1 3.404 0.03 . 2 . . . A 1502 TYR HB2 . 25347 1 238 . 1 1 22 22 TYR HB3 H 1 3.022 0.03 . 2 . . . A 1502 TYR HB3 . 25347 1 239 . 1 1 22 22 TYR HD1 H 1 6.902 0.03 . 3 . . . A 1502 TYR HD1 . 25347 1 240 . 1 1 22 22 TYR HD2 H 1 6.902 0.03 . 3 . . . A 1502 TYR HD2 . 25347 1 241 . 1 1 22 22 TYR HE1 H 1 6.584 0.03 . 3 . . . A 1502 TYR HE1 . 25347 1 242 . 1 1 22 22 TYR HE2 H 1 6.584 0.03 . 3 . . . A 1502 TYR HE2 . 25347 1 243 . 1 1 22 22 TYR C C 13 176.449 0.30 . 1 . . . A 1502 TYR C . 25347 1 244 . 1 1 22 22 TYR CA C 13 56.608 0.30 . 1 . . . A 1502 TYR CA . 25347 1 245 . 1 1 22 22 TYR CB C 13 43.572 0.30 . 1 . . . A 1502 TYR CB . 25347 1 246 . 1 1 22 22 TYR CD1 C 13 132.670 0.30 . 3 . . . A 1502 TYR CD1 . 25347 1 247 . 1 1 22 22 TYR CD2 C 13 132.670 0.30 . 3 . . . A 1502 TYR CD2 . 25347 1 248 . 1 1 22 22 TYR CE1 C 13 117.152 0.30 . 3 . . . A 1502 TYR CE1 . 25347 1 249 . 1 1 22 22 TYR CE2 C 13 117.152 0.30 . 3 . . . A 1502 TYR CE2 . 25347 1 250 . 1 1 22 22 TYR N N 15 119.247 0.30 . 1 . . . A 1502 TYR N . 25347 1 251 . 1 1 23 23 SER H H 1 9.630 0.03 . 1 . . . A 1503 SER H . 25347 1 252 . 1 1 23 23 SER HA H 1 4.976 0.03 . 1 . . . A 1503 SER HA . 25347 1 253 . 1 1 23 23 SER HB2 H 1 4.474 0.03 . 2 . . . A 1503 SER HB2 . 25347 1 254 . 1 1 23 23 SER HB3 H 1 4.190 0.03 . 2 . . . A 1503 SER HB3 . 25347 1 255 . 1 1 23 23 SER CA C 13 59.426 0.30 . 1 . . . A 1503 SER CA . 25347 1 256 . 1 1 23 23 SER CB C 13 63.889 0.30 . 1 . . . A 1503 SER CB . 25347 1 257 . 1 1 23 23 SER N N 15 116.361 0.30 . 1 . . . A 1503 SER N . 25347 1 258 . 1 1 24 24 GLY H H 1 8.534 0.03 . 1 . . . A 1504 GLY H . 25347 1 259 . 1 1 24 24 GLY HA2 H 1 4.518 0.03 . 2 . . . A 1504 GLY HA2 . 25347 1 260 . 1 1 24 24 GLY HA3 H 1 3.712 0.03 . 2 . . . A 1504 GLY HA3 . 25347 1 261 . 1 1 24 24 GLY C C 13 170.657 0.30 . 1 . . . A 1504 GLY C . 25347 1 262 . 1 1 24 24 GLY CA C 13 46.875 0.30 . 1 . . . A 1504 GLY CA . 25347 1 263 . 1 1 24 24 GLY N N 15 111.628 0.30 . 1 . . . A 1504 GLY N . 25347 1 264 . 1 1 25 25 LYS H H 1 8.227 0.03 . 1 . . . A 1505 LYS H . 25347 1 265 . 1 1 25 25 LYS HA H 1 5.334 0.03 . 1 . . . A 1505 LYS HA . 25347 1 266 . 1 1 25 25 LYS HB2 H 1 1.559 0.03 . 2 . . . A 1505 LYS HB2 . 25347 1 267 . 1 1 25 25 LYS HB3 H 1 1.497 0.03 . 2 . . . A 1505 LYS HB3 . 25347 1 268 . 1 1 25 25 LYS HG2 H 1 1.262 0.03 . 2 . . . A 1505 LYS HG2 . 25347 1 269 . 1 1 25 25 LYS HG3 H 1 1.262 0.03 . 2 . . . A 1505 LYS HG3 . 25347 1 270 . 1 1 25 25 LYS HD2 H 1 1.585 0.03 . 2 . . . A 1505 LYS HD2 . 25347 1 271 . 1 1 25 25 LYS HD3 H 1 1.585 0.03 . 2 . . . A 1505 LYS HD3 . 25347 1 272 . 1 1 25 25 LYS HE2 H 1 2.870 0.03 . 2 . . . A 1505 LYS HE2 . 25347 1 273 . 1 1 25 25 LYS HE3 H 1 2.870 0.03 . 2 . . . A 1505 LYS HE3 . 25347 1 274 . 1 1 25 25 LYS C C 13 172.626 0.30 . 1 . . . A 1505 LYS C . 25347 1 275 . 1 1 25 25 LYS CA C 13 54.768 0.30 . 1 . . . A 1505 LYS CA . 25347 1 276 . 1 1 25 25 LYS CB C 13 36.863 0.30 . 1 . . . A 1505 LYS CB . 25347 1 277 . 1 1 25 25 LYS CG C 13 24.425 0.30 . 1 . . . A 1505 LYS CG . 25347 1 278 . 1 1 25 25 LYS CD C 13 29.754 0.30 . 1 . . . A 1505 LYS CD . 25347 1 279 . 1 1 25 25 LYS CE C 13 41.911 0.30 . 1 . . . A 1505 LYS CE . 25347 1 280 . 1 1 25 25 LYS N N 15 119.714 0.30 . 1 . . . A 1505 LYS N . 25347 1 281 . 1 1 26 26 ILE H H 1 8.152 0.03 . 1 . . . A 1506 ILE H . 25347 1 282 . 1 1 26 26 ILE HA H 1 4.417 0.03 . 1 . . . A 1506 ILE HA . 25347 1 283 . 1 1 26 26 ILE HB H 1 2.163 0.03 . 1 . . . A 1506 ILE HB . 25347 1 284 . 1 1 26 26 ILE HG12 H 1 1.646 0.03 . 1 . . . A 1506 ILE HG12 . 25347 1 285 . 1 1 26 26 ILE HG13 H 1 0.697 0.03 . 1 . . . A 1506 ILE HG13 . 25347 1 286 . 1 1 26 26 ILE HG21 H 1 0.994 0.03 . 1 . . . A 1506 ILE HG21 . 25347 1 287 . 1 1 26 26 ILE HG22 H 1 0.994 0.03 . 1 . . . A 1506 ILE HG22 . 25347 1 288 . 1 1 26 26 ILE HG23 H 1 0.994 0.03 . 1 . . . A 1506 ILE HG23 . 25347 1 289 . 1 1 26 26 ILE HD11 H 1 0.540 0.03 . 1 . . . A 1506 ILE HD11 . 25347 1 290 . 1 1 26 26 ILE HD12 H 1 0.540 0.03 . 1 . . . A 1506 ILE HD12 . 25347 1 291 . 1 1 26 26 ILE HD13 H 1 0.540 0.03 . 1 . . . A 1506 ILE HD13 . 25347 1 292 . 1 1 26 26 ILE C C 13 177.667 0.30 . 1 . . . A 1506 ILE C . 25347 1 293 . 1 1 26 26 ILE CA C 13 62.460 0.30 . 1 . . . A 1506 ILE CA . 25347 1 294 . 1 1 26 26 ILE CB C 13 37.786 0.30 . 1 . . . A 1506 ILE CB . 25347 1 295 . 1 1 26 26 ILE CG1 C 13 28.470 0.30 . 1 . . . A 1506 ILE CG1 . 25347 1 296 . 1 1 26 26 ILE CG2 C 13 18.899 0.30 . 1 . . . A 1506 ILE CG2 . 25347 1 297 . 1 1 26 26 ILE CD1 C 13 13.794 0.30 . 1 . . . A 1506 ILE CD1 . 25347 1 298 . 1 1 26 26 ILE N N 15 122.743 0.30 . 1 . . . A 1506 ILE N . 25347 1 299 . 1 1 27 27 THR H H 1 9.552 0.03 . 1 . . . A 1507 THR H . 25347 1 300 . 1 1 27 27 THR HA H 1 4.654 0.03 . 1 . . . A 1507 THR HA . 25347 1 301 . 1 1 27 27 THR HB H 1 4.250 0.03 . 1 . . . A 1507 THR HB . 25347 1 302 . 1 1 27 27 THR HG21 H 1 1.156 0.03 . 1 . . . A 1507 THR HG21 . 25347 1 303 . 1 1 27 27 THR HG22 H 1 1.156 0.03 . 1 . . . A 1507 THR HG22 . 25347 1 304 . 1 1 27 27 THR HG23 H 1 1.156 0.03 . 1 . . . A 1507 THR HG23 . 25347 1 305 . 1 1 27 27 THR C C 13 175.784 0.30 . 1 . . . A 1507 THR C . 25347 1 306 . 1 1 27 27 THR CA C 13 62.119 0.30 . 1 . . . A 1507 THR CA . 25347 1 307 . 1 1 27 27 THR CB C 13 69.759 0.30 . 1 . . . A 1507 THR CB . 25347 1 308 . 1 1 27 27 THR CG2 C 13 23.382 0.30 . 1 . . . A 1507 THR CG2 . 25347 1 309 . 1 1 27 27 THR N N 15 120.292 0.30 . 1 . . . A 1507 THR N . 25347 1 310 . 1 1 28 28 ARG H H 1 7.631 0.03 . 1 . . . A 1508 ARG H . 25347 1 311 . 1 1 28 28 ARG HA H 1 4.438 0.03 . 1 . . . A 1508 ARG HA . 25347 1 312 . 1 1 28 28 ARG HB2 H 1 1.900 0.03 . 2 . . . A 1508 ARG HB2 . 25347 1 313 . 1 1 28 28 ARG HB3 H 1 1.664 0.03 . 2 . . . A 1508 ARG HB3 . 25347 1 314 . 1 1 28 28 ARG HG2 H 1 1.522 0.03 . 2 . . . A 1508 ARG HG2 . 25347 1 315 . 1 1 28 28 ARG HG3 H 1 1.693 0.03 . 2 . . . A 1508 ARG HG3 . 25347 1 316 . 1 1 28 28 ARG HD2 H 1 3.137 0.03 . 2 . . . A 1508 ARG HD2 . 25347 1 317 . 1 1 28 28 ARG HD3 H 1 3.137 0.03 . 2 . . . A 1508 ARG HD3 . 25347 1 318 . 1 1 28 28 ARG C C 13 173.787 0.30 . 1 . . . A 1508 ARG C . 25347 1 319 . 1 1 28 28 ARG CA C 13 56.887 0.30 . 1 . . . A 1508 ARG CA . 25347 1 320 . 1 1 28 28 ARG CB C 13 34.603 0.30 . 1 . . . A 1508 ARG CB . 25347 1 321 . 1 1 28 28 ARG CG C 13 27.450 0.30 . 1 . . . A 1508 ARG CG . 25347 1 322 . 1 1 28 28 ARG CD C 13 43.659 0.30 . 1 . . . A 1508 ARG CD . 25347 1 323 . 1 1 28 28 ARG N N 15 119.639 0.30 . 1 . . . A 1508 ARG N . 25347 1 324 . 1 1 29 29 ASP H H 1 9.080 0.03 . 1 . . . A 1509 ASP H . 25347 1 325 . 1 1 29 29 ASP HA H 1 4.734 0.03 . 1 . . . A 1509 ASP HA . 25347 1 326 . 1 1 29 29 ASP HB2 H 1 2.589 0.03 . 2 . . . A 1509 ASP HB2 . 25347 1 327 . 1 1 29 29 ASP HB3 H 1 3.030 0.03 . 2 . . . A 1509 ASP HB3 . 25347 1 328 . 1 1 29 29 ASP C C 13 176.492 0.30 . 1 . . . A 1509 ASP C . 25347 1 329 . 1 1 29 29 ASP CA C 13 53.979 0.30 . 1 . . . A 1509 ASP CA . 25347 1 330 . 1 1 29 29 ASP CB C 13 41.160 0.30 . 1 . . . A 1509 ASP CB . 25347 1 331 . 1 1 29 29 ASP N N 15 126.352 0.30 . 1 . . . A 1509 ASP N . 25347 1 332 . 1 1 30 30 VAL H H 1 7.400 0.03 . 1 . . . A 1510 VAL H . 25347 1 333 . 1 1 30 30 VAL HA H 1 4.138 0.03 . 1 . . . A 1510 VAL HA . 25347 1 334 . 1 1 30 30 VAL HB H 1 2.081 0.03 . 1 . . . A 1510 VAL HB . 25347 1 335 . 1 1 30 30 VAL HG11 H 1 0.863 0.03 . 2 . . . A 1510 VAL HG11 . 25347 1 336 . 1 1 30 30 VAL HG12 H 1 0.863 0.03 . 2 . . . A 1510 VAL HG12 . 25347 1 337 . 1 1 30 30 VAL HG13 H 1 0.863 0.03 . 2 . . . A 1510 VAL HG13 . 25347 1 338 . 1 1 30 30 VAL HG21 H 1 0.670 0.03 . 2 . . . A 1510 VAL HG21 . 25347 1 339 . 1 1 30 30 VAL HG22 H 1 0.670 0.03 . 2 . . . A 1510 VAL HG22 . 25347 1 340 . 1 1 30 30 VAL HG23 H 1 0.670 0.03 . 2 . . . A 1510 VAL HG23 . 25347 1 341 . 1 1 30 30 VAL C C 13 175.925 0.30 . 1 . . . A 1510 VAL C . 25347 1 342 . 1 1 30 30 VAL CA C 13 62.299 0.30 . 1 . . . A 1510 VAL CA . 25347 1 343 . 1 1 30 30 VAL CB C 13 31.559 0.30 . 1 . . . A 1510 VAL CB . 25347 1 344 . 1 1 30 30 VAL CG1 C 13 22.130 0.30 . 1 . . . A 1510 VAL CG1 . 25347 1 345 . 1 1 30 30 VAL CG2 C 13 20.602 0.30 . 1 . . . A 1510 VAL CG2 . 25347 1 346 . 1 1 30 30 VAL N N 15 120.846 0.30 . 1 . . . A 1510 VAL N . 25347 1 347 . 1 1 31 31 GLY H H 1 7.908 0.03 . 1 . . . A 1511 GLY H . 25347 1 348 . 1 1 31 31 GLY HA2 H 1 4.302 0.03 . 2 . . . A 1511 GLY HA2 . 25347 1 349 . 1 1 31 31 GLY HA3 H 1 3.755 0.03 . 2 . . . A 1511 GLY HA3 . 25347 1 350 . 1 1 31 31 GLY C C 13 173.730 0.30 . 1 . . . A 1511 GLY C . 25347 1 351 . 1 1 31 31 GLY CA C 13 44.422 0.30 . 1 . . . A 1511 GLY CA . 25347 1 352 . 1 1 31 31 GLY N N 15 110.892 0.30 . 1 . . . A 1511 GLY N . 25347 1 353 . 1 1 32 32 ALA H H 1 8.733 0.03 . 1 . . . A 1512 ALA H . 25347 1 354 . 1 1 32 32 ALA HA H 1 4.016 0.03 . 1 . . . A 1512 ALA HA . 25347 1 355 . 1 1 32 32 ALA HB1 H 1 1.385 0.03 . 1 . . . A 1512 ALA HB1 . 25347 1 356 . 1 1 32 32 ALA HB2 H 1 1.385 0.03 . 1 . . . A 1512 ALA HB2 . 25347 1 357 . 1 1 32 32 ALA HB3 H 1 1.385 0.03 . 1 . . . A 1512 ALA HB3 . 25347 1 358 . 1 1 32 32 ALA C C 13 177.483 0.30 . 1 . . . A 1512 ALA C . 25347 1 359 . 1 1 32 32 ALA CA C 13 52.736 0.30 . 1 . . . A 1512 ALA CA . 25347 1 360 . 1 1 32 32 ALA CB C 13 17.278 0.30 . 1 . . . A 1512 ALA CB . 25347 1 361 . 1 1 32 32 ALA N N 15 120.402 0.30 . 1 . . . A 1512 ALA N . 25347 1 362 . 1 1 33 33 GLY H H 1 8.395 0.03 . 1 . . . A 1513 GLY H . 25347 1 363 . 1 1 33 33 GLY HA2 H 1 4.173 0.03 . 2 . . . A 1513 GLY HA2 . 25347 1 364 . 1 1 33 33 GLY HA3 H 1 3.736 0.03 . 2 . . . A 1513 GLY HA3 . 25347 1 365 . 1 1 33 33 GLY C C 13 173.603 0.30 . 1 . . . A 1513 GLY C . 25347 1 366 . 1 1 33 33 GLY CA C 13 45.947 0.30 . 1 . . . A 1513 GLY CA . 25347 1 367 . 1 1 33 33 GLY N N 15 105.203 0.30 . 1 . . . A 1513 GLY N . 25347 1 368 . 1 1 34 34 LYS H H 1 7.407 0.03 . 1 . . . A 1514 LYS H . 25347 1 369 . 1 1 34 34 LYS HA H 1 4.947 0.03 . 1 . . . A 1514 LYS HA . 25347 1 370 . 1 1 34 34 LYS HB2 H 1 1.670 0.03 . 2 . . . A 1514 LYS HB2 . 25347 1 371 . 1 1 34 34 LYS HB3 H 1 1.442 0.03 . 2 . . . A 1514 LYS HB3 . 25347 1 372 . 1 1 34 34 LYS HG2 H 1 1.156 0.03 . 2 . . . A 1514 LYS HG2 . 25347 1 373 . 1 1 34 34 LYS HG3 H 1 1.026 0.03 . 2 . . . A 1514 LYS HG3 . 25347 1 374 . 1 1 34 34 LYS HD2 H 1 1.363 0.03 . 2 . . . A 1514 LYS HD2 . 25347 1 375 . 1 1 34 34 LYS HD3 H 1 1.363 0.03 . 2 . . . A 1514 LYS HD3 . 25347 1 376 . 1 1 34 34 LYS HE2 H 1 2.883 0.03 . 2 . . . A 1514 LYS HE2 . 25347 1 377 . 1 1 34 34 LYS HE3 H 1 2.883 0.03 . 2 . . . A 1514 LYS HE3 . 25347 1 378 . 1 1 34 34 LYS C C 13 174.282 0.30 . 1 . . . A 1514 LYS C . 25347 1 379 . 1 1 34 34 LYS CA C 13 55.397 0.30 . 1 . . . A 1514 LYS CA . 25347 1 380 . 1 1 34 34 LYS CB C 13 35.752 0.30 . 1 . . . A 1514 LYS CB . 25347 1 381 . 1 1 34 34 LYS CG C 13 25.729 0.30 . 1 . . . A 1514 LYS CG . 25347 1 382 . 1 1 34 34 LYS CD C 13 29.589 0.30 . 1 . . . A 1514 LYS CD . 25347 1 383 . 1 1 34 34 LYS CE C 13 42.157 0.30 . 1 . . . A 1514 LYS CE . 25347 1 384 . 1 1 34 34 LYS N N 15 119.776 0.30 . 1 . . . A 1514 LYS N . 25347 1 385 . 1 1 35 35 TYR H H 1 8.837 0.03 . 1 . . . A 1515 TYR H . 25347 1 386 . 1 1 35 35 TYR HA H 1 4.845 0.03 . 1 . . . A 1515 TYR HA . 25347 1 387 . 1 1 35 35 TYR HB2 H 1 3.018 0.03 . 2 . . . A 1515 TYR HB2 . 25347 1 388 . 1 1 35 35 TYR HB3 H 1 3.018 0.03 . 2 . . . A 1515 TYR HB3 . 25347 1 389 . 1 1 35 35 TYR HD1 H 1 7.053 0.03 . 3 . . . A 1515 TYR HD1 . 25347 1 390 . 1 1 35 35 TYR HD2 H 1 7.053 0.03 . 3 . . . A 1515 TYR HD2 . 25347 1 391 . 1 1 35 35 TYR HE1 H 1 6.785 0.03 . 3 . . . A 1515 TYR HE1 . 25347 1 392 . 1 1 35 35 TYR HE2 H 1 6.785 0.03 . 3 . . . A 1515 TYR HE2 . 25347 1 393 . 1 1 35 35 TYR C C 13 173.943 0.30 . 1 . . . A 1515 TYR C . 25347 1 394 . 1 1 35 35 TYR CA C 13 57.520 0.30 . 1 . . . A 1515 TYR CA . 25347 1 395 . 1 1 35 35 TYR CB C 13 40.651 0.30 . 1 . . . A 1515 TYR CB . 25347 1 396 . 1 1 35 35 TYR CD1 C 13 133.138 0.30 . 3 . . . A 1515 TYR CD1 . 25347 1 397 . 1 1 35 35 TYR CD2 C 13 133.138 0.30 . 3 . . . A 1515 TYR CD2 . 25347 1 398 . 1 1 35 35 TYR CE1 C 13 118.108 0.30 . 3 . . . A 1515 TYR CE1 . 25347 1 399 . 1 1 35 35 TYR CE2 C 13 118.108 0.30 . 3 . . . A 1515 TYR CE2 . 25347 1 400 . 1 1 35 35 TYR N N 15 119.614 0.30 . 1 . . . A 1515 TYR N . 25347 1 401 . 1 1 36 36 LYS H H 1 9.082 0.03 . 1 . . . A 1516 LYS H . 25347 1 402 . 1 1 36 36 LYS HA H 1 4.901 0.03 . 1 . . . A 1516 LYS HA . 25347 1 403 . 1 1 36 36 LYS HB2 H 1 1.539 0.03 . 2 . . . A 1516 LYS HB2 . 25347 1 404 . 1 1 36 36 LYS HB3 H 1 1.788 0.03 . 2 . . . A 1516 LYS HB3 . 25347 1 405 . 1 1 36 36 LYS HG2 H 1 1.315 0.03 . 2 . . . A 1516 LYS HG2 . 25347 1 406 . 1 1 36 36 LYS HG3 H 1 1.315 0.03 . 2 . . . A 1516 LYS HG3 . 25347 1 407 . 1 1 36 36 LYS HD2 H 1 1.420 0.03 . 2 . . . A 1516 LYS HD2 . 25347 1 408 . 1 1 36 36 LYS HD3 H 1 1.657 0.03 . 2 . . . A 1516 LYS HD3 . 25347 1 409 . 1 1 36 36 LYS HE2 H 1 2.912 0.03 . 2 . . . A 1516 LYS HE2 . 25347 1 410 . 1 1 36 36 LYS HE3 H 1 2.753 0.03 . 2 . . . A 1516 LYS HE3 . 25347 1 411 . 1 1 36 36 LYS C C 13 174.240 0.30 . 1 . . . A 1516 LYS C . 25347 1 412 . 1 1 36 36 LYS CA C 13 56.313 0.30 . 1 . . . A 1516 LYS CA . 25347 1 413 . 1 1 36 36 LYS CB C 13 32.639 0.30 . 1 . . . A 1516 LYS CB . 25347 1 414 . 1 1 36 36 LYS CG C 13 23.639 0.30 . 1 . . . A 1516 LYS CG . 25347 1 415 . 1 1 36 36 LYS CD C 13 28.010 0.30 . 1 . . . A 1516 LYS CD . 25347 1 416 . 1 1 36 36 LYS CE C 13 40.532 0.30 . 1 . . . A 1516 LYS CE . 25347 1 417 . 1 1 36 36 LYS N N 15 124.191 0.30 . 1 . . . A 1516 LYS N . 25347 1 418 . 1 1 37 37 LEU H H 1 9.201 0.03 . 1 . . . A 1517 LEU H . 25347 1 419 . 1 1 37 37 LEU HA H 1 4.790 0.03 . 1 . . . A 1517 LEU HA . 25347 1 420 . 1 1 37 37 LEU HB2 H 1 1.201 0.03 . 2 . . . A 1517 LEU HB2 . 25347 1 421 . 1 1 37 37 LEU HB3 H 1 1.468 0.03 . 2 . . . A 1517 LEU HB3 . 25347 1 422 . 1 1 37 37 LEU HG H 1 1.271 0.03 . 1 . . . A 1517 LEU HG . 25347 1 423 . 1 1 37 37 LEU HD11 H 1 0.424 0.03 . 2 . . . A 1517 LEU HD11 . 25347 1 424 . 1 1 37 37 LEU HD12 H 1 0.424 0.03 . 2 . . . A 1517 LEU HD12 . 25347 1 425 . 1 1 37 37 LEU HD13 H 1 0.424 0.03 . 2 . . . A 1517 LEU HD13 . 25347 1 426 . 1 1 37 37 LEU HD21 H 1 0.117 0.03 . 2 . . . A 1517 LEU HD21 . 25347 1 427 . 1 1 37 37 LEU HD22 H 1 0.117 0.03 . 2 . . . A 1517 LEU HD22 . 25347 1 428 . 1 1 37 37 LEU HD23 H 1 0.117 0.03 . 2 . . . A 1517 LEU HD23 . 25347 1 429 . 1 1 37 37 LEU C C 13 175.316 0.30 . 1 . . . A 1517 LEU C . 25347 1 430 . 1 1 37 37 LEU CA C 13 51.977 0.30 . 1 . . . A 1517 LEU CA . 25347 1 431 . 1 1 37 37 LEU CB C 13 45.043 0.30 . 1 . . . A 1517 LEU CB . 25347 1 432 . 1 1 37 37 LEU CG C 13 28.220 0.30 . 1 . . . A 1517 LEU CG . 25347 1 433 . 1 1 37 37 LEU CD1 C 13 24.820 0.30 . 1 . . . A 1517 LEU CD1 . 25347 1 434 . 1 1 37 37 LEU CD2 C 13 24.041 0.30 . 1 . . . A 1517 LEU CD2 . 25347 1 435 . 1 1 37 37 LEU N N 15 132.460 0.30 . 1 . . . A 1517 LEU N . 25347 1 436 . 1 1 38 38 LEU H H 1 8.533 0.03 . 1 . . . A 1518 LEU H . 25347 1 437 . 1 1 38 38 LEU HA H 1 4.892 0.03 . 1 . . . A 1518 LEU HA . 25347 1 438 . 1 1 38 38 LEU HB2 H 1 1.748 0.03 . 2 . . . A 1518 LEU HB2 . 25347 1 439 . 1 1 38 38 LEU HB3 H 1 1.430 0.03 . 2 . . . A 1518 LEU HB3 . 25347 1 440 . 1 1 38 38 LEU HG H 1 1.466 0.03 . 1 . . . A 1518 LEU HG . 25347 1 441 . 1 1 38 38 LEU HD11 H 1 0.877 0.03 . 2 . . . A 1518 LEU HD11 . 25347 1 442 . 1 1 38 38 LEU HD12 H 1 0.877 0.03 . 2 . . . A 1518 LEU HD12 . 25347 1 443 . 1 1 38 38 LEU HD13 H 1 0.877 0.03 . 2 . . . A 1518 LEU HD13 . 25347 1 444 . 1 1 38 38 LEU HD21 H 1 0.883 0.03 . 2 . . . A 1518 LEU HD21 . 25347 1 445 . 1 1 38 38 LEU HD22 H 1 0.883 0.03 . 2 . . . A 1518 LEU HD22 . 25347 1 446 . 1 1 38 38 LEU HD23 H 1 0.883 0.03 . 2 . . . A 1518 LEU HD23 . 25347 1 447 . 1 1 38 38 LEU C C 13 177.624 0.30 . 1 . . . A 1518 LEU C . 25347 1 448 . 1 1 38 38 LEU CA C 13 53.544 0.30 . 1 . . . A 1518 LEU CA . 25347 1 449 . 1 1 38 38 LEU CB C 13 44.054 0.30 . 1 . . . A 1518 LEU CB . 25347 1 450 . 1 1 38 38 LEU CG C 13 27.149 0.30 . 1 . . . A 1518 LEU CG . 25347 1 451 . 1 1 38 38 LEU CD1 C 13 26.376 0.30 . 1 . . . A 1518 LEU CD1 . 25347 1 452 . 1 1 38 38 LEU CD2 C 13 23.288 0.30 . 1 . . . A 1518 LEU CD2 . 25347 1 453 . 1 1 38 38 LEU N N 15 122.433 0.30 . 1 . . . A 1518 LEU N . 25347 1 454 . 1 1 39 39 PHE H H 1 9.688 0.03 . 1 . . . A 1519 PHE H . 25347 1 455 . 1 1 39 39 PHE HA H 1 4.828 0.03 . 1 . . . A 1519 PHE HA . 25347 1 456 . 1 1 39 39 PHE HB2 H 1 3.387 0.03 . 2 . . . A 1519 PHE HB2 . 25347 1 457 . 1 1 39 39 PHE HB3 H 1 3.479 0.03 . 2 . . . A 1519 PHE HB3 . 25347 1 458 . 1 1 39 39 PHE HD1 H 1 7.145 0.03 . 3 . . . A 1519 PHE HD1 . 25347 1 459 . 1 1 39 39 PHE HD2 H 1 7.145 0.03 . 3 . . . A 1519 PHE HD2 . 25347 1 460 . 1 1 39 39 PHE HE1 H 1 7.370 0.03 . 3 . . . A 1519 PHE HE1 . 25347 1 461 . 1 1 39 39 PHE HE2 H 1 7.370 0.03 . 3 . . . A 1519 PHE HE2 . 25347 1 462 . 1 1 39 39 PHE HZ H 1 7.261 0.03 . 1 . . . A 1519 PHE HZ . 25347 1 463 . 1 1 39 39 PHE C C 13 178.120 0.30 . 1 . . . A 1519 PHE C . 25347 1 464 . 1 1 39 39 PHE CA C 13 60.467 0.30 . 1 . . . A 1519 PHE CA . 25347 1 465 . 1 1 39 39 PHE CB C 13 39.810 0.30 . 1 . . . A 1519 PHE CB . 25347 1 466 . 1 1 39 39 PHE CE1 C 13 131.979 0.30 . 3 . . . A 1519 PHE CE1 . 25347 1 467 . 1 1 39 39 PHE CE2 C 13 131.979 0.30 . 3 . . . A 1519 PHE CE2 . 25347 1 468 . 1 1 39 39 PHE N N 15 129.267 0.30 . 1 . . . A 1519 PHE N . 25347 1 469 . 1 1 40 40 ASP H H 1 8.929 0.03 . 1 . . . A 1520 ASP H . 25347 1 470 . 1 1 40 40 ASP HA H 1 4.599 0.03 . 1 . . . A 1520 ASP HA . 25347 1 471 . 1 1 40 40 ASP HB2 H 1 3.045 0.03 . 2 . . . A 1520 ASP HB2 . 25347 1 472 . 1 1 40 40 ASP HB3 H 1 2.607 0.03 . 2 . . . A 1520 ASP HB3 . 25347 1 473 . 1 1 40 40 ASP C C 13 176.336 0.30 . 1 . . . A 1520 ASP C . 25347 1 474 . 1 1 40 40 ASP CA C 13 57.526 0.30 . 1 . . . A 1520 ASP CA . 25347 1 475 . 1 1 40 40 ASP CB C 13 40.080 0.30 . 1 . . . A 1520 ASP CB . 25347 1 476 . 1 1 40 40 ASP N N 15 123.179 0.30 . 1 . . . A 1520 ASP N . 25347 1 477 . 1 1 41 41 ASP H H 1 8.155 0.03 . 1 . . . A 1521 ASP H . 25347 1 478 . 1 1 41 41 ASP HA H 1 4.547 0.03 . 1 . . . A 1521 ASP HA . 25347 1 479 . 1 1 41 41 ASP HB2 H 1 3.080 0.03 . 2 . . . A 1521 ASP HB2 . 25347 1 480 . 1 1 41 41 ASP HB3 H 1 2.680 0.03 . 2 . . . A 1521 ASP HB3 . 25347 1 481 . 1 1 41 41 ASP C C 13 177.001 0.30 . 1 . . . A 1521 ASP C . 25347 1 482 . 1 1 41 41 ASP CA C 13 53.931 0.30 . 1 . . . A 1521 ASP CA . 25347 1 483 . 1 1 41 41 ASP CB C 13 39.423 0.30 . 1 . . . A 1521 ASP CB . 25347 1 484 . 1 1 41 41 ASP N N 15 116.735 0.30 . 1 . . . A 1521 ASP N . 25347 1 485 . 1 1 42 42 GLY H H 1 8.421 0.03 . 1 . . . A 1522 GLY H . 25347 1 486 . 1 1 42 42 GLY HA2 H 1 4.436 0.03 . 2 . . . A 1522 GLY HA2 . 25347 1 487 . 1 1 42 42 GLY HA3 H 1 3.650 0.03 . 2 . . . A 1522 GLY HA3 . 25347 1 488 . 1 1 42 42 GLY C C 13 173.900 0.30 . 1 . . . A 1522 GLY C . 25347 1 489 . 1 1 42 42 GLY CA C 13 45.186 0.30 . 1 . . . A 1522 GLY CA . 25347 1 490 . 1 1 42 42 GLY N N 15 108.795 0.30 . 1 . . . A 1522 GLY N . 25347 1 491 . 1 1 43 43 TYR H H 1 7.686 0.03 . 1 . . . A 1523 TYR H . 25347 1 492 . 1 1 43 43 TYR HA H 1 4.477 0.03 . 1 . . . A 1523 TYR HA . 25347 1 493 . 1 1 43 43 TYR HB2 H 1 2.803 0.03 . 2 . . . A 1523 TYR HB2 . 25347 1 494 . 1 1 43 43 TYR HB3 H 1 2.803 0.03 . 2 . . . A 1523 TYR HB3 . 25347 1 495 . 1 1 43 43 TYR HD1 H 1 7.040 0.03 . 3 . . . A 1523 TYR HD1 . 25347 1 496 . 1 1 43 43 TYR HD2 H 1 7.040 0.03 . 3 . . . A 1523 TYR HD2 . 25347 1 497 . 1 1 43 43 TYR HE1 H 1 6.762 0.03 . 3 . . . A 1523 TYR HE1 . 25347 1 498 . 1 1 43 43 TYR HE2 H 1 6.762 0.03 . 3 . . . A 1523 TYR HE2 . 25347 1 499 . 1 1 43 43 TYR C C 13 174.594 0.30 . 1 . . . A 1523 TYR C . 25347 1 500 . 1 1 43 43 TYR CA C 13 58.524 0.30 . 1 . . . A 1523 TYR CA . 25347 1 501 . 1 1 43 43 TYR CB C 13 39.207 0.30 . 1 . . . A 1523 TYR CB . 25347 1 502 . 1 1 43 43 TYR CD1 C 13 133.300 0.30 . 3 . . . A 1523 TYR CD1 . 25347 1 503 . 1 1 43 43 TYR CD2 C 13 133.700 0.30 . 3 . . . A 1523 TYR CD2 . 25347 1 504 . 1 1 43 43 TYR CE1 C 13 118.101 0.30 . 3 . . . A 1523 TYR CE1 . 25347 1 505 . 1 1 43 43 TYR CE2 C 13 118.101 0.30 . 3 . . . A 1523 TYR CE2 . 25347 1 506 . 1 1 43 43 TYR N N 15 122.586 0.30 . 1 . . . A 1523 TYR N . 25347 1 507 . 1 1 44 44 GLU H H 1 7.819 0.03 . 1 . . . A 1524 GLU H . 25347 1 508 . 1 1 44 44 GLU HA H 1 5.753 0.03 . 1 . . . A 1524 GLU HA . 25347 1 509 . 1 1 44 44 GLU HB2 H 1 1.827 0.03 . 2 . . . A 1524 GLU HB2 . 25347 1 510 . 1 1 44 44 GLU HB3 H 1 1.929 0.03 . 2 . . . A 1524 GLU HB3 . 25347 1 511 . 1 1 44 44 GLU HG2 H 1 2.162 0.03 . 2 . . . A 1524 GLU HG2 . 25347 1 512 . 1 1 44 44 GLU HG3 H 1 1.990 0.03 . 2 . . . A 1524 GLU HG3 . 25347 1 513 . 1 1 44 44 GLU C C 13 176.463 0.30 . 1 . . . A 1524 GLU C . 25347 1 514 . 1 1 44 44 GLU CA C 13 54.096 0.30 . 1 . . . A 1524 GLU CA . 25347 1 515 . 1 1 44 44 GLU CB C 13 33.763 0.30 . 1 . . . A 1524 GLU CB . 25347 1 516 . 1 1 44 44 GLU CG C 13 37.501 0.30 . 1 . . . A 1524 GLU CG . 25347 1 517 . 1 1 44 44 GLU N N 15 126.487 0.30 . 1 . . . A 1524 GLU N . 25347 1 518 . 1 1 45 45 CYS H H 1 8.606 0.03 . 1 . . . A 1525 CYS H . 25347 1 519 . 1 1 45 45 CYS HA H 1 4.733 0.03 . 1 . . . A 1525 CYS HA . 25347 1 520 . 1 1 45 45 CYS HB2 H 1 3.107 0.03 . 2 . . . A 1525 CYS HB2 . 25347 1 521 . 1 1 45 45 CYS HB3 H 1 2.890 0.03 . 2 . . . A 1525 CYS HB3 . 25347 1 522 . 1 1 45 45 CYS C C 13 171.634 0.30 . 1 . . . A 1525 CYS C . 25347 1 523 . 1 1 45 45 CYS CA C 13 57.000 0.30 . 1 . . . A 1525 CYS CA . 25347 1 524 . 1 1 45 45 CYS CB C 13 31.033 0.30 . 1 . . . A 1525 CYS CB . 25347 1 525 . 1 1 45 45 CYS N N 15 118.975 0.30 . 1 . . . A 1525 CYS N . 25347 1 526 . 1 1 46 46 ASP H H 1 8.576 0.03 . 1 . . . A 1526 ASP H . 25347 1 527 . 1 1 46 46 ASP HA H 1 5.608 0.03 . 1 . . . A 1526 ASP HA . 25347 1 528 . 1 1 46 46 ASP HB2 H 1 2.651 0.03 . 2 . . . A 1526 ASP HB2 . 25347 1 529 . 1 1 46 46 ASP HB3 H 1 2.243 0.03 . 2 . . . A 1526 ASP HB3 . 25347 1 530 . 1 1 46 46 ASP C C 13 176.676 0.30 . 1 . . . A 1526 ASP C . 25347 1 531 . 1 1 46 46 ASP CA C 13 53.866 0.30 . 1 . . . A 1526 ASP CA . 25347 1 532 . 1 1 46 46 ASP CB C 13 41.159 0.30 . 1 . . . A 1526 ASP CB . 25347 1 533 . 1 1 46 46 ASP N N 15 121.783 0.30 . 1 . . . A 1526 ASP N . 25347 1 534 . 1 1 47 47 VAL H H 1 9.626 0.03 . 1 . . . A 1527 VAL H . 25347 1 535 . 1 1 47 47 VAL HA H 1 4.542 0.03 . 1 . . . A 1527 VAL HA . 25347 1 536 . 1 1 47 47 VAL HB H 1 2.031 0.03 . 1 . . . A 1527 VAL HB . 25347 1 537 . 1 1 47 47 VAL HG11 H 1 1.317 0.03 . 2 . . . A 1527 VAL HG11 . 25347 1 538 . 1 1 47 47 VAL HG12 H 1 1.317 0.03 . 2 . . . A 1527 VAL HG12 . 25347 1 539 . 1 1 47 47 VAL HG13 H 1 1.317 0.03 . 2 . . . A 1527 VAL HG13 . 25347 1 540 . 1 1 47 47 VAL HG21 H 1 1.114 0.03 . 2 . . . A 1527 VAL HG21 . 25347 1 541 . 1 1 47 47 VAL HG22 H 1 1.114 0.03 . 2 . . . A 1527 VAL HG22 . 25347 1 542 . 1 1 47 47 VAL HG23 H 1 1.114 0.03 . 2 . . . A 1527 VAL HG23 . 25347 1 543 . 1 1 47 47 VAL C C 13 175.104 0.30 . 1 . . . A 1527 VAL C . 25347 1 544 . 1 1 47 47 VAL CA C 13 61.249 0.30 . 1 . . . A 1527 VAL CA . 25347 1 545 . 1 1 47 47 VAL CB C 13 36.485 0.30 . 1 . . . A 1527 VAL CB . 25347 1 546 . 1 1 47 47 VAL CG1 C 13 22.754 0.30 . 1 . . . A 1527 VAL CG1 . 25347 1 547 . 1 1 47 47 VAL CG2 C 13 22.662 0.30 . 1 . . . A 1527 VAL CG2 . 25347 1 548 . 1 1 47 47 VAL N N 15 123.861 0.30 . 1 . . . A 1527 VAL N . 25347 1 549 . 1 1 48 48 LEU H H 1 9.063 0.03 . 1 . . . A 1528 LEU H . 25347 1 550 . 1 1 48 48 LEU HA H 1 4.714 0.03 . 1 . . . A 1528 LEU HA . 25347 1 551 . 1 1 48 48 LEU HB2 H 1 1.748 0.03 . 2 . . . A 1528 LEU HB2 . 25347 1 552 . 1 1 48 48 LEU HB3 H 1 1.869 0.03 . 2 . . . A 1528 LEU HB3 . 25347 1 553 . 1 1 48 48 LEU HG H 1 1.883 0.03 . 1 . . . A 1528 LEU HG . 25347 1 554 . 1 1 48 48 LEU HD11 H 1 0.986 0.03 . 2 . . . A 1528 LEU HD11 . 25347 1 555 . 1 1 48 48 LEU HD12 H 1 0.986 0.03 . 2 . . . A 1528 LEU HD12 . 25347 1 556 . 1 1 48 48 LEU HD13 H 1 0.986 0.03 . 2 . . . A 1528 LEU HD13 . 25347 1 557 . 1 1 48 48 LEU HD21 H 1 1.033 0.03 . 2 . . . A 1528 LEU HD21 . 25347 1 558 . 1 1 48 48 LEU HD22 H 1 1.033 0.03 . 2 . . . A 1528 LEU HD22 . 25347 1 559 . 1 1 48 48 LEU HD23 H 1 1.033 0.03 . 2 . . . A 1528 LEU HD23 . 25347 1 560 . 1 1 48 48 LEU C C 13 179.281 0.30 . 1 . . . A 1528 LEU C . 25347 1 561 . 1 1 48 48 LEU CA C 13 55.254 0.30 . 1 . . . A 1528 LEU CA . 25347 1 562 . 1 1 48 48 LEU CB C 13 43.104 0.30 . 1 . . . A 1528 LEU CB . 25347 1 563 . 1 1 48 48 LEU CG C 13 27.452 0.30 . 1 . . . A 1528 LEU CG . 25347 1 564 . 1 1 48 48 LEU CD1 C 13 23.583 0.30 . 1 . . . A 1528 LEU CD1 . 25347 1 565 . 1 1 48 48 LEU CD2 C 13 25.641 0.30 . 1 . . . A 1528 LEU CD2 . 25347 1 566 . 1 1 48 48 LEU N N 15 125.944 0.30 . 1 . . . A 1528 LEU N . 25347 1 567 . 1 1 49 49 GLY H H 1 9.074 0.03 . 1 . . . A 1529 GLY H . 25347 1 568 . 1 1 49 49 GLY HA2 H 1 4.193 0.03 . 2 . . . A 1529 GLY HA2 . 25347 1 569 . 1 1 49 49 GLY HA3 H 1 3.794 0.03 . 2 . . . A 1529 GLY HA3 . 25347 1 570 . 1 1 49 49 GLY C C 13 175.302 0.30 . 1 . . . A 1529 GLY C . 25347 1 571 . 1 1 49 49 GLY CA C 13 48.297 0.30 . 1 . . . A 1529 GLY CA . 25347 1 572 . 1 1 49 49 GLY N N 15 109.273 0.30 . 1 . . . A 1529 GLY N . 25347 1 573 . 1 1 50 50 LYS H H 1 7.910 0.03 . 1 . . . A 1530 LYS H . 25347 1 574 . 1 1 50 50 LYS HA H 1 4.292 0.03 . 1 . . . A 1530 LYS HA . 25347 1 575 . 1 1 50 50 LYS HB2 H 1 1.899 0.03 . 2 . . . A 1530 LYS HB2 . 25347 1 576 . 1 1 50 50 LYS HB3 H 1 1.899 0.03 . 2 . . . A 1530 LYS HB3 . 25347 1 577 . 1 1 50 50 LYS HG2 H 1 1.389 0.03 . 2 . . . A 1530 LYS HG2 . 25347 1 578 . 1 1 50 50 LYS HG3 H 1 1.443 0.03 . 2 . . . A 1530 LYS HG3 . 25347 1 579 . 1 1 50 50 LYS HD2 H 1 1.760 0.03 . 2 . . . A 1530 LYS HD2 . 25347 1 580 . 1 1 50 50 LYS HD3 H 1 1.672 0.03 . 2 . . . A 1530 LYS HD3 . 25347 1 581 . 1 1 50 50 LYS HE2 H 1 3.027 0.03 . 2 . . . A 1530 LYS HE2 . 25347 1 582 . 1 1 50 50 LYS HE3 H 1 3.027 0.03 . 2 . . . A 1530 LYS HE3 . 25347 1 583 . 1 1 50 50 LYS C C 13 176.123 0.30 . 1 . . . A 1530 LYS C . 25347 1 584 . 1 1 50 50 LYS CA C 13 58.070 0.30 . 1 . . . A 1530 LYS CA . 25347 1 585 . 1 1 50 50 LYS CB C 13 31.868 0.30 . 1 . . . A 1530 LYS CB . 25347 1 586 . 1 1 50 50 LYS CG C 13 23.745 0.30 . 1 . . . A 1530 LYS CG . 25347 1 587 . 1 1 50 50 LYS CD C 13 29.344 0.30 . 1 . . . A 1530 LYS CD . 25347 1 588 . 1 1 50 50 LYS CE C 13 42.138 0.30 . 1 . . . A 1530 LYS CE . 25347 1 589 . 1 1 50 50 LYS N N 15 115.364 0.30 . 1 . . . A 1530 LYS N . 25347 1 590 . 1 1 51 51 ASP H H 1 8.112 0.03 . 1 . . . A 1531 ASP H . 25347 1 591 . 1 1 51 51 ASP HA H 1 5.058 0.03 . 1 . . . A 1531 ASP HA . 25347 1 592 . 1 1 51 51 ASP HB2 H 1 2.879 0.03 . 2 . . . A 1531 ASP HB2 . 25347 1 593 . 1 1 51 51 ASP HB3 H 1 3.270 0.03 . 2 . . . A 1531 ASP HB3 . 25347 1 594 . 1 1 51 51 ASP C C 13 173.475 0.30 . 1 . . . A 1531 ASP C . 25347 1 595 . 1 1 51 51 ASP CA C 13 54.388 0.30 . 1 . . . A 1531 ASP CA . 25347 1 596 . 1 1 51 51 ASP CB C 13 42.306 0.30 . 1 . . . A 1531 ASP CB . 25347 1 597 . 1 1 51 51 ASP N N 15 120.601 0.30 . 1 . . . A 1531 ASP N . 25347 1 598 . 1 1 52 52 ILE H H 1 7.656 0.03 . 1 . . . A 1532 ILE H . 25347 1 599 . 1 1 52 52 ILE HA H 1 4.469 0.03 . 1 . . . A 1532 ILE HA . 25347 1 600 . 1 1 52 52 ILE HB H 1 1.899 0.03 . 1 . . . A 1532 ILE HB . 25347 1 601 . 1 1 52 52 ILE HG12 H 1 2.054 0.03 . 1 . . . A 1532 ILE HG12 . 25347 1 602 . 1 1 52 52 ILE HG13 H 1 0.604 0.03 . 1 . . . A 1532 ILE HG13 . 25347 1 603 . 1 1 52 52 ILE HG21 H 1 0.674 0.03 . 1 . . . A 1532 ILE HG21 . 25347 1 604 . 1 1 52 52 ILE HG22 H 1 0.674 0.03 . 1 . . . A 1532 ILE HG22 . 25347 1 605 . 1 1 52 52 ILE HG23 H 1 0.674 0.03 . 1 . . . A 1532 ILE HG23 . 25347 1 606 . 1 1 52 52 ILE HD11 H 1 0.625 0.03 . 1 . . . A 1532 ILE HD11 . 25347 1 607 . 1 1 52 52 ILE HD12 H 1 0.625 0.03 . 1 . . . A 1532 ILE HD12 . 25347 1 608 . 1 1 52 52 ILE HD13 H 1 0.625 0.03 . 1 . . . A 1532 ILE HD13 . 25347 1 609 . 1 1 52 52 ILE C C 13 174.169 0.30 . 1 . . . A 1532 ILE C . 25347 1 610 . 1 1 52 52 ILE CA C 13 62.029 0.30 . 1 . . . A 1532 ILE CA . 25347 1 611 . 1 1 52 52 ILE CB C 13 40.176 0.30 . 1 . . . A 1532 ILE CB . 25347 1 612 . 1 1 52 52 ILE CG1 C 13 27.634 0.30 . 1 . . . A 1532 ILE CG1 . 25347 1 613 . 1 1 52 52 ILE CG2 C 13 18.673 0.30 . 1 . . . A 1532 ILE CG2 . 25347 1 614 . 1 1 52 52 ILE CD1 C 13 15.247 0.30 . 1 . . . A 1532 ILE CD1 . 25347 1 615 . 1 1 52 52 ILE N N 15 118.540 0.30 . 1 . . . A 1532 ILE N . 25347 1 616 . 1 1 53 53 LEU H H 1 9.124 0.03 . 1 . . . A 1533 LEU H . 25347 1 617 . 1 1 53 53 LEU HA H 1 4.796 0.03 . 1 . . . A 1533 LEU HA . 25347 1 618 . 1 1 53 53 LEU HB2 H 1 1.056 0.03 . 2 . . . A 1533 LEU HB2 . 25347 1 619 . 1 1 53 53 LEU HB3 H 1 2.032 0.03 . 2 . . . A 1533 LEU HB3 . 25347 1 620 . 1 1 53 53 LEU HG H 1 1.542 0.03 . 1 . . . A 1533 LEU HG . 25347 1 621 . 1 1 53 53 LEU HD11 H 1 0.228 0.03 . 2 . . . A 1533 LEU HD11 . 25347 1 622 . 1 1 53 53 LEU HD12 H 1 0.228 0.03 . 2 . . . A 1533 LEU HD12 . 25347 1 623 . 1 1 53 53 LEU HD13 H 1 0.228 0.03 . 2 . . . A 1533 LEU HD13 . 25347 1 624 . 1 1 53 53 LEU HD21 H 1 0.601 0.03 . 2 . . . A 1533 LEU HD21 . 25347 1 625 . 1 1 53 53 LEU HD22 H 1 0.601 0.03 . 2 . . . A 1533 LEU HD22 . 25347 1 626 . 1 1 53 53 LEU HD23 H 1 0.601 0.03 . 2 . . . A 1533 LEU HD23 . 25347 1 627 . 1 1 53 53 LEU C C 13 176.945 0.30 . 1 . . . A 1533 LEU C . 25347 1 628 . 1 1 53 53 LEU CA C 13 52.827 0.30 . 1 . . . A 1533 LEU CA . 25347 1 629 . 1 1 53 53 LEU CB C 13 43.727 0.30 . 1 . . . A 1533 LEU CB . 25347 1 630 . 1 1 53 53 LEU CG C 13 26.176 0.30 . 1 . . . A 1533 LEU CG . 25347 1 631 . 1 1 53 53 LEU CD1 C 13 26.185 0.30 . 1 . . . A 1533 LEU CD1 . 25347 1 632 . 1 1 53 53 LEU CD2 C 13 22.954 0.30 . 1 . . . A 1533 LEU CD2 . 25347 1 633 . 1 1 53 53 LEU N N 15 124.686 0.30 . 1 . . . A 1533 LEU N . 25347 1 634 . 1 1 54 54 LEU H H 1 9.376 0.03 . 1 . . . A 1534 LEU H . 25347 1 635 . 1 1 54 54 LEU HA H 1 4.467 0.03 . 1 . . . A 1534 LEU HA . 25347 1 636 . 1 1 54 54 LEU HB2 H 1 1.957 0.03 . 2 . . . A 1534 LEU HB2 . 25347 1 637 . 1 1 54 54 LEU HB3 H 1 1.629 0.03 . 2 . . . A 1534 LEU HB3 . 25347 1 638 . 1 1 54 54 LEU HG H 1 1.623 0.03 . 1 . . . A 1534 LEU HG . 25347 1 639 . 1 1 54 54 LEU HD11 H 1 0.846 0.03 . 2 . . . A 1534 LEU HD11 . 25347 1 640 . 1 1 54 54 LEU HD12 H 1 0.846 0.03 . 2 . . . A 1534 LEU HD12 . 25347 1 641 . 1 1 54 54 LEU HD13 H 1 0.846 0.03 . 2 . . . A 1534 LEU HD13 . 25347 1 642 . 1 1 54 54 LEU HD21 H 1 0.764 0.03 . 2 . . . A 1534 LEU HD21 . 25347 1 643 . 1 1 54 54 LEU HD22 H 1 0.764 0.03 . 2 . . . A 1534 LEU HD22 . 25347 1 644 . 1 1 54 54 LEU HD23 H 1 0.764 0.03 . 2 . . . A 1534 LEU HD23 . 25347 1 645 . 1 1 54 54 LEU C C 13 175.585 0.30 . 1 . . . A 1534 LEU C . 25347 1 646 . 1 1 54 54 LEU CA C 13 53.999 0.30 . 1 . . . A 1534 LEU CA . 25347 1 647 . 1 1 54 54 LEU CB C 13 40.525 0.30 . 1 . . . A 1534 LEU CB . 25347 1 648 . 1 1 54 54 LEU CG C 13 26.931 0.30 . 1 . . . A 1534 LEU CG . 25347 1 649 . 1 1 54 54 LEU CD1 C 13 25.635 0.30 . 1 . . . A 1534 LEU CD1 . 25347 1 650 . 1 1 54 54 LEU CD2 C 13 24.484 0.30 . 1 . . . A 1534 LEU CD2 . 25347 1 651 . 1 1 54 54 LEU N N 15 126.922 0.30 . 1 . . . A 1534 LEU N . 25347 1 652 . 1 1 55 55 CYS H H 1 7.364 0.03 . 1 . . . A 1535 CYS H . 25347 1 653 . 1 1 55 55 CYS HA H 1 4.297 0.03 . 1 . . . A 1535 CYS HA . 25347 1 654 . 1 1 55 55 CYS HB2 H 1 1.878 0.03 . 2 . . . A 1535 CYS HB2 . 25347 1 655 . 1 1 55 55 CYS HB3 H 1 2.211 0.03 . 2 . . . A 1535 CYS HB3 . 25347 1 656 . 1 1 55 55 CYS C C 13 172.597 0.30 . 1 . . . A 1535 CYS C . 25347 1 657 . 1 1 55 55 CYS CA C 13 55.322 0.30 . 1 . . . A 1535 CYS CA . 25347 1 658 . 1 1 55 55 CYS CB C 13 28.763 0.30 . 1 . . . A 1535 CYS CB . 25347 1 659 . 1 1 55 55 CYS N N 15 119.014 0.30 . 1 . . . A 1535 CYS N . 25347 1 660 . 1 1 56 56 ASP H H 1 8.195 0.03 . 1 . . . A 1536 ASP H . 25347 1 661 . 1 1 56 56 ASP HA H 1 4.515 0.03 . 1 . . . A 1536 ASP HA . 25347 1 662 . 1 1 56 56 ASP HB2 H 1 2.548 0.03 . 2 . . . A 1536 ASP HB2 . 25347 1 663 . 1 1 56 56 ASP HB3 H 1 2.548 0.03 . 2 . . . A 1536 ASP HB3 . 25347 1 664 . 1 1 56 56 ASP C C 13 172.730 0.30 . 1 . . . A 1536 ASP C . 25347 1 665 . 1 1 56 56 ASP CA C 13 52.403 0.30 . 1 . . . A 1536 ASP CA . 25347 1 666 . 1 1 56 56 ASP CB C 13 43.271 0.30 . 1 . . . A 1536 ASP CB . 25347 1 667 . 1 1 56 56 ASP N N 15 122.315 0.30 . 1 . . . A 1536 ASP N . 25347 1 668 . 1 1 57 57 PRO HA H 1 4.656 0.03 . 1 . . . A 1537 PRO HA . 25347 1 669 . 1 1 57 57 PRO HB2 H 1 1.812 0.03 . 2 . . . A 1537 PRO HB2 . 25347 1 670 . 1 1 57 57 PRO HB3 H 1 1.977 0.03 . 2 . . . A 1537 PRO HB3 . 25347 1 671 . 1 1 57 57 PRO HG2 H 1 1.106 0.03 . 2 . . . A 1537 PRO HG2 . 25347 1 672 . 1 1 57 57 PRO HG3 H 1 1.106 0.03 . 2 . . . A 1537 PRO HG3 . 25347 1 673 . 1 1 57 57 PRO HD2 H 1 3.296 0.03 . 2 . . . A 1537 PRO HD2 . 25347 1 674 . 1 1 57 57 PRO HD3 H 1 3.342 0.03 . 2 . . . A 1537 PRO HD3 . 25347 1 675 . 1 1 57 57 PRO C C 13 175.982 0.30 . 1 . . . A 1537 PRO C . 25347 1 676 . 1 1 57 57 PRO CA C 13 62.843 0.30 . 1 . . . A 1537 PRO CA . 25347 1 677 . 1 1 57 57 PRO CB C 13 35.063 0.30 . 1 . . . A 1537 PRO CB . 25347 1 678 . 1 1 57 57 PRO CG C 13 24.180 0.30 . 1 . . . A 1537 PRO CG . 25347 1 679 . 1 1 57 57 PRO CD C 13 49.676 0.30 . 1 . . . A 1537 PRO CD . 25347 1 680 . 1 1 58 58 ILE H H 1 9.022 0.03 . 1 . . . A 1538 ILE H . 25347 1 681 . 1 1 58 58 ILE HA H 1 3.903 0.03 . 1 . . . A 1538 ILE HA . 25347 1 682 . 1 1 58 58 ILE HB H 1 1.596 0.03 . 1 . . . A 1538 ILE HB . 25347 1 683 . 1 1 58 58 ILE HG12 H 1 1.760 0.03 . 1 . . . A 1538 ILE HG12 . 25347 1 684 . 1 1 58 58 ILE HG13 H 1 0.684 0.03 . 1 . . . A 1538 ILE HG13 . 25347 1 685 . 1 1 58 58 ILE HG21 H 1 0.835 0.03 . 1 . . . A 1538 ILE HG21 . 25347 1 686 . 1 1 58 58 ILE HG22 H 1 0.835 0.03 . 1 . . . A 1538 ILE HG22 . 25347 1 687 . 1 1 58 58 ILE HG23 H 1 0.835 0.03 . 1 . . . A 1538 ILE HG23 . 25347 1 688 . 1 1 58 58 ILE HD11 H 1 0.531 0.03 . 1 . . . A 1538 ILE HD11 . 25347 1 689 . 1 1 58 58 ILE HD12 H 1 0.531 0.03 . 1 . . . A 1538 ILE HD12 . 25347 1 690 . 1 1 58 58 ILE HD13 H 1 0.531 0.03 . 1 . . . A 1538 ILE HD13 . 25347 1 691 . 1 1 58 58 ILE CA C 13 61.292 0.30 . 1 . . . A 1538 ILE CA . 25347 1 692 . 1 1 58 58 ILE CB C 13 38.783 0.30 . 1 . . . A 1538 ILE CB . 25347 1 693 . 1 1 58 58 ILE CG1 C 13 29.579 0.30 . 1 . . . A 1538 ILE CG1 . 25347 1 694 . 1 1 58 58 ILE CG2 C 13 17.894 0.30 . 1 . . . A 1538 ILE CG2 . 25347 1 695 . 1 1 58 58 ILE CD1 C 13 13.647 0.30 . 1 . . . A 1538 ILE CD1 . 25347 1 696 . 1 1 58 58 ILE N N 15 122.226 0.30 . 1 . . . A 1538 ILE N . 25347 1 697 . 1 1 59 59 PRO HA H 1 4.503 0.03 . 1 . . . A 1539 PRO HA . 25347 1 698 . 1 1 59 59 PRO HB2 H 1 2.445 0.03 . 2 . . . A 1539 PRO HB2 . 25347 1 699 . 1 1 59 59 PRO HB3 H 1 1.943 0.03 . 2 . . . A 1539 PRO HB3 . 25347 1 700 . 1 1 59 59 PRO HG2 H 1 1.884 0.03 . 2 . . . A 1539 PRO HG2 . 25347 1 701 . 1 1 59 59 PRO HG3 H 1 1.929 0.03 . 2 . . . A 1539 PRO HG3 . 25347 1 702 . 1 1 59 59 PRO HD2 H 1 3.553 0.03 . 2 . . . A 1539 PRO HD2 . 25347 1 703 . 1 1 59 59 PRO HD3 H 1 3.365 0.03 . 2 . . . A 1539 PRO HD3 . 25347 1 704 . 1 1 59 59 PRO C C 13 178.247 0.30 . 1 . . . A 1539 PRO C . 25347 1 705 . 1 1 59 59 PRO CA C 13 62.870 0.30 . 1 . . . A 1539 PRO CA . 25347 1 706 . 1 1 59 59 PRO CB C 13 33.044 0.30 . 1 . . . A 1539 PRO CB . 25347 1 707 . 1 1 59 59 PRO CG C 13 27.159 0.30 . 1 . . . A 1539 PRO CG . 25347 1 708 . 1 1 59 59 PRO CD C 13 51.526 0.30 . 1 . . . A 1539 PRO CD . 25347 1 709 . 1 1 60 60 LEU H H 1 8.560 0.03 . 1 . . . A 1540 LEU H . 25347 1 710 . 1 1 60 60 LEU HA H 1 3.707 0.03 . 1 . . . A 1540 LEU HA . 25347 1 711 . 1 1 60 60 LEU HB2 H 1 1.499 0.03 . 2 . . . A 1540 LEU HB2 . 25347 1 712 . 1 1 60 60 LEU HB3 H 1 1.704 0.03 . 2 . . . A 1540 LEU HB3 . 25347 1 713 . 1 1 60 60 LEU HG H 1 1.778 0.03 . 1 . . . A 1540 LEU HG . 25347 1 714 . 1 1 60 60 LEU HD11 H 1 0.647 0.03 . 2 . . . A 1540 LEU HD11 . 25347 1 715 . 1 1 60 60 LEU HD12 H 1 0.647 0.03 . 2 . . . A 1540 LEU HD12 . 25347 1 716 . 1 1 60 60 LEU HD13 H 1 0.647 0.03 . 2 . . . A 1540 LEU HD13 . 25347 1 717 . 1 1 60 60 LEU HD21 H 1 0.944 0.03 . 2 . . . A 1540 LEU HD21 . 25347 1 718 . 1 1 60 60 LEU HD22 H 1 0.944 0.03 . 2 . . . A 1540 LEU HD22 . 25347 1 719 . 1 1 60 60 LEU HD23 H 1 0.944 0.03 . 2 . . . A 1540 LEU HD23 . 25347 1 720 . 1 1 60 60 LEU C C 13 176.562 0.30 . 1 . . . A 1540 LEU C . 25347 1 721 . 1 1 60 60 LEU CA C 13 56.553 0.30 . 1 . . . A 1540 LEU CA . 25347 1 722 . 1 1 60 60 LEU CB C 13 42.282 0.30 . 1 . . . A 1540 LEU CB . 25347 1 723 . 1 1 60 60 LEU CG C 13 27.062 0.30 . 1 . . . A 1540 LEU CG . 25347 1 724 . 1 1 60 60 LEU CD1 C 13 23.119 0.30 . 1 . . . A 1540 LEU CD1 . 25347 1 725 . 1 1 60 60 LEU CD2 C 13 25.049 0.30 . 1 . . . A 1540 LEU CD2 . 25347 1 726 . 1 1 60 60 LEU N N 15 120.313 0.30 . 1 . . . A 1540 LEU N . 25347 1 727 . 1 1 61 61 ASP H H 1 9.389 0.03 . 1 . . . A 1541 ASP H . 25347 1 728 . 1 1 61 61 ASP HA H 1 4.249 0.03 . 1 . . . A 1541 ASP HA . 25347 1 729 . 1 1 61 61 ASP HB2 H 1 3.012 0.03 . 2 . . . A 1541 ASP HB2 . 25347 1 730 . 1 1 61 61 ASP HB3 H 1 2.888 0.03 . 2 . . . A 1541 ASP HB3 . 25347 1 731 . 1 1 61 61 ASP C C 13 175.217 0.30 . 1 . . . A 1541 ASP C . 25347 1 732 . 1 1 61 61 ASP CA C 13 56.629 0.30 . 1 . . . A 1541 ASP CA . 25347 1 733 . 1 1 61 61 ASP CB C 13 38.025 0.30 . 1 . . . A 1541 ASP CB . 25347 1 734 . 1 1 61 61 ASP N N 15 115.687 0.30 . 1 . . . A 1541 ASP N . 25347 1 735 . 1 1 62 62 THR H H 1 7.318 0.03 . 1 . . . A 1542 THR H . 25347 1 736 . 1 1 62 62 THR HA H 1 4.164 0.03 . 1 . . . A 1542 THR HA . 25347 1 737 . 1 1 62 62 THR HB H 1 3.653 0.03 . 1 . . . A 1542 THR HB . 25347 1 738 . 1 1 62 62 THR HG1 H 1 5.619 0.03 . 1 . . . A 1542 THR HG1 . 25347 1 739 . 1 1 62 62 THR HG21 H 1 1.114 0.03 . 1 . . . A 1542 THR HG21 . 25347 1 740 . 1 1 62 62 THR HG22 H 1 1.114 0.03 . 1 . . . A 1542 THR HG22 . 25347 1 741 . 1 1 62 62 THR HG23 H 1 1.114 0.03 . 1 . . . A 1542 THR HG23 . 25347 1 742 . 1 1 62 62 THR C C 13 173.758 0.30 . 1 . . . A 1542 THR C . 25347 1 743 . 1 1 62 62 THR CA C 13 63.561 0.30 . 1 . . . A 1542 THR CA . 25347 1 744 . 1 1 62 62 THR CB C 13 69.600 0.30 . 1 . . . A 1542 THR CB . 25347 1 745 . 1 1 62 62 THR CG2 C 13 22.648 0.30 . 1 . . . A 1542 THR CG2 . 25347 1 746 . 1 1 62 62 THR N N 15 115.965 0.30 . 1 . . . A 1542 THR N . 25347 1 747 . 1 1 63 63 GLU H H 1 8.712 0.03 . 1 . . . A 1543 GLU H . 25347 1 748 . 1 1 63 63 GLU HA H 1 4.767 0.03 . 1 . . . A 1543 GLU HA . 25347 1 749 . 1 1 63 63 GLU HB2 H 1 2.009 0.03 . 2 . . . A 1543 GLU HB2 . 25347 1 750 . 1 1 63 63 GLU HB3 H 1 2.009 0.03 . 2 . . . A 1543 GLU HB3 . 25347 1 751 . 1 1 63 63 GLU HG2 H 1 2.232 0.03 . 2 . . . A 1543 GLU HG2 . 25347 1 752 . 1 1 63 63 GLU HG3 H 1 2.315 0.03 . 2 . . . A 1543 GLU HG3 . 25347 1 753 . 1 1 63 63 GLU C C 13 174.721 0.30 . 1 . . . A 1543 GLU C . 25347 1 754 . 1 1 63 63 GLU CA C 13 56.762 0.30 . 1 . . . A 1543 GLU CA . 25347 1 755 . 1 1 63 63 GLU CB C 13 30.250 0.30 . 1 . . . A 1543 GLU CB . 25347 1 756 . 1 1 63 63 GLU CG C 13 36.878 0.30 . 1 . . . A 1543 GLU CG . 25347 1 757 . 1 1 63 63 GLU N N 15 128.566 0.30 . 1 . . . A 1543 GLU N . 25347 1 758 . 1 1 64 64 VAL H H 1 8.847 0.03 . 1 . . . A 1544 VAL H . 25347 1 759 . 1 1 64 64 VAL HA H 1 4.703 0.03 . 1 . . . A 1544 VAL HA . 25347 1 760 . 1 1 64 64 VAL HB H 1 2.085 0.03 . 1 . . . A 1544 VAL HB . 25347 1 761 . 1 1 64 64 VAL HG11 H 1 0.345 0.03 . 2 . . . A 1544 VAL HG11 . 25347 1 762 . 1 1 64 64 VAL HG12 H 1 0.345 0.03 . 2 . . . A 1544 VAL HG12 . 25347 1 763 . 1 1 64 64 VAL HG13 H 1 0.345 0.03 . 2 . . . A 1544 VAL HG13 . 25347 1 764 . 1 1 64 64 VAL HG21 H 1 0.497 0.03 . 2 . . . A 1544 VAL HG21 . 25347 1 765 . 1 1 64 64 VAL HG22 H 1 0.497 0.03 . 2 . . . A 1544 VAL HG22 . 25347 1 766 . 1 1 64 64 VAL HG23 H 1 0.497 0.03 . 2 . . . A 1544 VAL HG23 . 25347 1 767 . 1 1 64 64 VAL C C 13 172.721 0.30 . 1 . . . A 1544 VAL C . 25347 1 768 . 1 1 64 64 VAL CA C 13 58.814 0.30 . 1 . . . A 1544 VAL CA . 25347 1 769 . 1 1 64 64 VAL CB C 13 34.897 0.30 . 1 . . . A 1544 VAL CB . 25347 1 770 . 1 1 64 64 VAL CG1 C 13 18.206 0.30 . 1 . . . A 1544 VAL CG1 . 25347 1 771 . 1 1 64 64 VAL CG2 C 13 22.213 0.30 . 1 . . . A 1544 VAL CG2 . 25347 1 772 . 1 1 64 64 VAL N N 15 118.172 0.30 . 1 . . . A 1544 VAL N . 25347 1 773 . 1 1 65 65 THR H H 1 8.887 0.03 . 1 . . . A 1545 THR H . 25347 1 774 . 1 1 65 65 THR HA H 1 4.715 0.03 . 1 . . . A 1545 THR HA . 25347 1 775 . 1 1 65 65 THR HB H 1 3.859 0.03 . 1 . . . A 1545 THR HB . 25347 1 776 . 1 1 65 65 THR HG1 H 1 5.532 0.03 . 1 . . . A 1545 THR HG1 . 25347 1 777 . 1 1 65 65 THR HG21 H 1 0.961 0.03 . 1 . . . A 1545 THR HG21 . 25347 1 778 . 1 1 65 65 THR HG22 H 1 0.961 0.03 . 1 . . . A 1545 THR HG22 . 25347 1 779 . 1 1 65 65 THR HG23 H 1 0.961 0.03 . 1 . . . A 1545 THR HG23 . 25347 1 780 . 1 1 65 65 THR C C 13 170.983 0.30 . 1 . . . A 1545 THR C . 25347 1 781 . 1 1 65 65 THR CA C 13 62.923 0.30 . 1 . . . A 1545 THR CA . 25347 1 782 . 1 1 65 65 THR CB C 13 70.454 0.30 . 1 . . . A 1545 THR CB . 25347 1 783 . 1 1 65 65 THR CG2 C 13 21.014 0.30 . 1 . . . A 1545 THR CG2 . 25347 1 784 . 1 1 65 65 THR N N 15 117.572 0.30 . 1 . . . A 1545 THR N . 25347 1 785 . 1 1 66 66 ALA H H 1 8.807 0.03 . 1 . . . A 1546 ALA H . 25347 1 786 . 1 1 66 66 ALA HA H 1 5.041 0.03 . 1 . . . A 1546 ALA HA . 25347 1 787 . 1 1 66 66 ALA HB1 H 1 0.421 0.03 . 1 . . . A 1546 ALA HB1 . 25347 1 788 . 1 1 66 66 ALA HB2 H 1 0.421 0.03 . 1 . . . A 1546 ALA HB2 . 25347 1 789 . 1 1 66 66 ALA HB3 H 1 0.421 0.03 . 1 . . . A 1546 ALA HB3 . 25347 1 790 . 1 1 66 66 ALA C C 13 175.104 0.30 . 1 . . . A 1546 ALA C . 25347 1 791 . 1 1 66 66 ALA CA C 13 49.979 0.30 . 1 . . . A 1546 ALA CA . 25347 1 792 . 1 1 66 66 ALA CB C 13 20.225 0.30 . 1 . . . A 1546 ALA CB . 25347 1 793 . 1 1 66 66 ALA N N 15 128.644 0.30 . 1 . . . A 1546 ALA N . 25347 1 794 . 1 1 67 67 LEU H H 1 9.080 0.03 . 1 . . . A 1547 LEU H . 25347 1 795 . 1 1 67 67 LEU HA H 1 4.684 0.03 . 1 . . . A 1547 LEU HA . 25347 1 796 . 1 1 67 67 LEU HB2 H 1 1.633 0.03 . 2 . . . A 1547 LEU HB2 . 25347 1 797 . 1 1 67 67 LEU HB3 H 1 1.529 0.03 . 2 . . . A 1547 LEU HB3 . 25347 1 798 . 1 1 67 67 LEU HG H 1 1.530 0.03 . 1 . . . A 1547 LEU HG . 25347 1 799 . 1 1 67 67 LEU HD11 H 1 0.603 0.03 . 2 . . . A 1547 LEU HD11 . 25347 1 800 . 1 1 67 67 LEU HD12 H 1 0.603 0.03 . 2 . . . A 1547 LEU HD12 . 25347 1 801 . 1 1 67 67 LEU HD13 H 1 0.603 0.03 . 2 . . . A 1547 LEU HD13 . 25347 1 802 . 1 1 67 67 LEU HD21 H 1 0.574 0.03 . 2 . . . A 1547 LEU HD21 . 25347 1 803 . 1 1 67 67 LEU HD22 H 1 0.574 0.03 . 2 . . . A 1547 LEU HD22 . 25347 1 804 . 1 1 67 67 LEU HD23 H 1 0.574 0.03 . 2 . . . A 1547 LEU HD23 . 25347 1 805 . 1 1 67 67 LEU C C 13 176.477 0.30 . 1 . . . A 1547 LEU C . 25347 1 806 . 1 1 67 67 LEU CA C 13 54.474 0.30 . 1 . . . A 1547 LEU CA . 25347 1 807 . 1 1 67 67 LEU CB C 13 43.248 0.30 . 1 . . . A 1547 LEU CB . 25347 1 808 . 1 1 67 67 LEU CG C 13 27.065 0.30 . 1 . . . A 1547 LEU CG . 25347 1 809 . 1 1 67 67 LEU CD1 C 13 24.543 0.30 . 1 . . . A 1547 LEU CD1 . 25347 1 810 . 1 1 67 67 LEU CD2 C 13 24.340 0.30 . 1 . . . A 1547 LEU CD2 . 25347 1 811 . 1 1 67 67 LEU N N 15 125.822 0.30 . 1 . . . A 1547 LEU N . 25347 1 812 . 1 1 68 68 SER H H 1 8.557 0.03 . 1 . . . A 1548 SER H . 25347 1 813 . 1 1 68 68 SER HA H 1 4.840 0.03 . 1 . . . A 1548 SER HA . 25347 1 814 . 1 1 68 68 SER HB2 H 1 4.079 0.03 . 2 . . . A 1548 SER HB2 . 25347 1 815 . 1 1 68 68 SER HB3 H 1 4.235 0.03 . 2 . . . A 1548 SER HB3 . 25347 1 816 . 1 1 68 68 SER CA C 13 57.445 0.30 . 1 . . . A 1548 SER CA . 25347 1 817 . 1 1 68 68 SER CB C 13 65.275 0.30 . 1 . . . A 1548 SER CB . 25347 1 818 . 1 1 68 68 SER N N 15 118.400 0.30 . 1 . . . A 1548 SER N . 25347 1 819 . 1 1 69 69 GLU HA H 1 4.036 0.03 . 1 . . . A 1549 GLU HA . 25347 1 820 . 1 1 69 69 GLU HB2 H 1 2.081 0.03 . 2 . . . A 1549 GLU HB2 . 25347 1 821 . 1 1 69 69 GLU HB3 H 1 2.081 0.03 . 2 . . . A 1549 GLU HB3 . 25347 1 822 . 1 1 69 69 GLU HG2 H 1 2.308 0.03 . 2 . . . A 1549 GLU HG2 . 25347 1 823 . 1 1 69 69 GLU HG3 H 1 2.308 0.03 . 2 . . . A 1549 GLU HG3 . 25347 1 824 . 1 1 69 69 GLU C C 13 175.090 0.30 . 1 . . . A 1549 GLU C . 25347 1 825 . 1 1 69 69 GLU CA C 13 57.179 0.30 . 1 . . . A 1549 GLU CA . 25347 1 826 . 1 1 69 69 GLU CB C 13 29.167 0.30 . 1 . . . A 1549 GLU CB . 25347 1 827 . 1 1 69 69 GLU CG C 13 36.700 0.30 . 1 . . . A 1549 GLU CG . 25347 1 828 . 1 1 70 70 ASP H H 1 8.341 0.03 . 1 . . . A 1550 ASP H . 25347 1 829 . 1 1 70 70 ASP HA H 1 4.610 0.03 . 1 . . . A 1550 ASP HA . 25347 1 830 . 1 1 70 70 ASP HB2 H 1 2.782 0.03 . 2 . . . A 1550 ASP HB2 . 25347 1 831 . 1 1 70 70 ASP HB3 H 1 2.782 0.03 . 2 . . . A 1550 ASP HB3 . 25347 1 832 . 1 1 70 70 ASP CA C 13 54.387 0.30 . 1 . . . A 1550 ASP CA . 25347 1 833 . 1 1 70 70 ASP CB C 13 40.505 0.30 . 1 . . . A 1550 ASP CB . 25347 1 834 . 1 1 70 70 ASP N N 15 116.160 0.30 . 1 . . . A 1550 ASP N . 25347 1 835 . 1 1 71 71 GLU H H 1 7.990 0.03 . 1 . . . A 1551 GLU H . 25347 1 836 . 1 1 71 71 GLU HA H 1 4.239 0.03 . 1 . . . A 1551 GLU HA . 25347 1 837 . 1 1 71 71 GLU HB2 H 1 2.173 0.03 . 2 . . . A 1551 GLU HB2 . 25347 1 838 . 1 1 71 71 GLU HB3 H 1 2.107 0.03 . 2 . . . A 1551 GLU HB3 . 25347 1 839 . 1 1 71 71 GLU HG2 H 1 2.412 0.03 . 2 . . . A 1551 GLU HG2 . 25347 1 840 . 1 1 71 71 GLU HG3 H 1 2.412 0.03 . 2 . . . A 1551 GLU HG3 . 25347 1 841 . 1 1 71 71 GLU C C 13 173.914 0.30 . 1 . . . A 1551 GLU C . 25347 1 842 . 1 1 71 71 GLU CA C 13 58.792 0.30 . 1 . . . A 1551 GLU CA . 25347 1 843 . 1 1 71 71 GLU CB C 13 29.145 0.30 . 1 . . . A 1551 GLU CB . 25347 1 844 . 1 1 71 71 GLU CG C 13 36.620 0.30 . 1 . . . A 1551 GLU CG . 25347 1 845 . 1 1 71 71 GLU N N 15 114.638 0.30 . 1 . . . A 1551 GLU N . 25347 1 846 . 1 1 72 72 TYR H H 1 7.894 0.03 . 1 . . . A 1552 TYR H . 25347 1 847 . 1 1 72 72 TYR HA H 1 4.715 0.03 . 1 . . . A 1552 TYR HA . 25347 1 848 . 1 1 72 72 TYR HB2 H 1 2.966 0.03 . 2 . . . A 1552 TYR HB2 . 25347 1 849 . 1 1 72 72 TYR HB3 H 1 2.966 0.03 . 2 . . . A 1552 TYR HB3 . 25347 1 850 . 1 1 72 72 TYR HD1 H 1 7.057 0.03 . 3 . . . A 1552 TYR HD1 . 25347 1 851 . 1 1 72 72 TYR HE1 H 1 6.785 0.03 . 3 . . . A 1552 TYR HE1 . 25347 1 852 . 1 1 72 72 TYR CA C 13 57.850 0.30 . 1 . . . A 1552 TYR CA . 25347 1 853 . 1 1 72 72 TYR CB C 13 39.110 0.30 . 1 . . . A 1552 TYR CB . 25347 1 854 . 1 1 72 72 TYR CD1 C 13 133.138 0.30 . 3 . . . A 1552 TYR CD1 . 25347 1 855 . 1 1 72 72 TYR CE1 C 13 118.154 0.30 . 3 . . . A 1552 TYR CE1 . 25347 1 856 . 1 1 72 72 TYR N N 15 119.382 0.30 . 1 . . . A 1552 TYR N . 25347 1 857 . 1 1 73 73 PHE H H 1 8.352 0.03 . 1 . . . A 1553 PHE H . 25347 1 858 . 1 1 73 73 PHE HA H 1 4.712 0.03 . 1 . . . A 1553 PHE HA . 25347 1 859 . 1 1 73 73 PHE HB2 H 1 2.939 0.03 . 2 . . . A 1553 PHE HB2 . 25347 1 860 . 1 1 73 73 PHE HB3 H 1 2.939 0.03 . 2 . . . A 1553 PHE HB3 . 25347 1 861 . 1 1 73 73 PHE HD1 H 1 6.952 0.03 . 3 . . . A 1553 PHE HD1 . 25347 1 862 . 1 1 73 73 PHE HD2 H 1 6.952 0.03 . 3 . . . A 1553 PHE HD2 . 25347 1 863 . 1 1 73 73 PHE HE1 H 1 7.081 0.03 . 3 . . . A 1553 PHE HE1 . 25347 1 864 . 1 1 73 73 PHE HE2 H 1 7.081 0.03 . 3 . . . A 1553 PHE HE2 . 25347 1 865 . 1 1 73 73 PHE CA C 13 56.800 0.30 . 1 . . . A 1553 PHE CA . 25347 1 866 . 1 1 73 73 PHE CB C 13 40.620 0.30 . 1 . . . A 1553 PHE CB . 25347 1 867 . 1 1 73 73 PHE CD1 C 13 131.483 0.30 . 3 . . . A 1553 PHE CD1 . 25347 1 868 . 1 1 73 73 PHE CD2 C 13 131.483 0.30 . 3 . . . A 1553 PHE CD2 . 25347 1 869 . 1 1 73 73 PHE CE1 C 13 131.458 0.30 . 3 . . . A 1553 PHE CE1 . 25347 1 870 . 1 1 73 73 PHE CE2 C 13 131.458 0.30 . 3 . . . A 1553 PHE CE2 . 25347 1 871 . 1 1 73 73 PHE N N 15 122.012 0.30 . 1 . . . A 1553 PHE N . 25347 1 872 . 1 1 74 74 SER H H 1 8.410 0.03 . 1 . . . A 1554 SER H . 25347 1 873 . 1 1 74 74 SER HA H 1 4.725 0.03 . 1 . . . A 1554 SER HA . 25347 1 874 . 1 1 74 74 SER HB2 H 1 3.932 0.03 . 2 . . . A 1554 SER HB2 . 25347 1 875 . 1 1 74 74 SER HB3 H 1 3.867 0.03 . 2 . . . A 1554 SER HB3 . 25347 1 876 . 1 1 74 74 SER C C 13 172.895 0.30 . 1 . . . A 1554 SER C . 25347 1 877 . 1 1 74 74 SER CA C 13 57.543 0.30 . 1 . . . A 1554 SER CA . 25347 1 878 . 1 1 74 74 SER CB C 13 65.268 0.30 . 1 . . . A 1554 SER CB . 25347 1 879 . 1 1 74 74 SER N N 15 114.762 0.30 . 1 . . . A 1554 SER N . 25347 1 880 . 1 1 75 75 ALA H H 1 8.660 0.03 . 1 . . . A 1555 ALA H . 25347 1 881 . 1 1 75 75 ALA HA H 1 5.261 0.03 . 1 . . . A 1555 ALA HA . 25347 1 882 . 1 1 75 75 ALA HB1 H 1 1.378 0.03 . 1 . . . A 1555 ALA HB1 . 25347 1 883 . 1 1 75 75 ALA HB2 H 1 1.378 0.03 . 1 . . . A 1555 ALA HB2 . 25347 1 884 . 1 1 75 75 ALA HB3 H 1 1.378 0.03 . 1 . . . A 1555 ALA HB3 . 25347 1 885 . 1 1 75 75 ALA C C 13 177.724 0.30 . 1 . . . A 1555 ALA C . 25347 1 886 . 1 1 75 75 ALA CA C 13 51.647 0.30 . 1 . . . A 1555 ALA CA . 25347 1 887 . 1 1 75 75 ALA CB C 13 19.791 0.30 . 1 . . . A 1555 ALA CB . 25347 1 888 . 1 1 75 75 ALA N N 15 126.445 0.30 . 1 . . . A 1555 ALA N . 25347 1 889 . 1 1 76 76 GLY H H 1 8.427 0.03 . 1 . . . A 1556 GLY H . 25347 1 890 . 1 1 76 76 GLY HA2 H 1 4.433 0.03 . 2 . . . A 1556 GLY HA2 . 25347 1 891 . 1 1 76 76 GLY HA3 H 1 3.547 0.03 . 2 . . . A 1556 GLY HA3 . 25347 1 892 . 1 1 76 76 GLY C C 13 171.238 0.30 . 1 . . . A 1556 GLY C . 25347 1 893 . 1 1 76 76 GLY CA C 13 45.149 0.30 . 1 . . . A 1556 GLY CA . 25347 1 894 . 1 1 76 76 GLY N N 15 106.670 0.30 . 1 . . . A 1556 GLY N . 25347 1 895 . 1 1 77 77 VAL H H 1 8.259 0.03 . 1 . . . A 1557 VAL H . 25347 1 896 . 1 1 77 77 VAL HA H 1 4.963 0.03 . 1 . . . A 1557 VAL HA . 25347 1 897 . 1 1 77 77 VAL HB H 1 1.789 0.03 . 1 . . . A 1557 VAL HB . 25347 1 898 . 1 1 77 77 VAL HG11 H 1 0.927 0.03 . 2 . . . A 1557 VAL HG11 . 25347 1 899 . 1 1 77 77 VAL HG12 H 1 0.927 0.03 . 2 . . . A 1557 VAL HG12 . 25347 1 900 . 1 1 77 77 VAL HG13 H 1 0.927 0.03 . 2 . . . A 1557 VAL HG13 . 25347 1 901 . 1 1 77 77 VAL HG21 H 1 0.812 0.03 . 2 . . . A 1557 VAL HG21 . 25347 1 902 . 1 1 77 77 VAL HG22 H 1 0.812 0.03 . 2 . . . A 1557 VAL HG22 . 25347 1 903 . 1 1 77 77 VAL HG23 H 1 0.812 0.03 . 2 . . . A 1557 VAL HG23 . 25347 1 904 . 1 1 77 77 VAL C C 13 174.197 0.30 . 1 . . . A 1557 VAL C . 25347 1 905 . 1 1 77 77 VAL CA C 13 60.467 0.30 . 1 . . . A 1557 VAL CA . 25347 1 906 . 1 1 77 77 VAL CB C 13 35.543 0.30 . 1 . . . A 1557 VAL CB . 25347 1 907 . 1 1 77 77 VAL CG1 C 13 21.870 0.30 . 1 . . . A 1557 VAL CG1 . 25347 1 908 . 1 1 77 77 VAL CG2 C 13 21.808 0.30 . 1 . . . A 1557 VAL CG2 . 25347 1 909 . 1 1 77 77 VAL N N 15 118.012 0.30 . 1 . . . A 1557 VAL N . 25347 1 910 . 1 1 78 78 VAL H H 1 8.422 0.03 . 1 . . . A 1558 VAL H . 25347 1 911 . 1 1 78 78 VAL HA H 1 4.003 0.03 . 1 . . . A 1558 VAL HA . 25347 1 912 . 1 1 78 78 VAL HB H 1 2.269 0.03 . 1 . . . A 1558 VAL HB . 25347 1 913 . 1 1 78 78 VAL HG11 H 1 0.817 0.03 . 1 . . . A 1558 VAL HG11 . 25347 1 914 . 1 1 78 78 VAL HG12 H 1 0.817 0.03 . 1 . . . A 1558 VAL HG12 . 25347 1 915 . 1 1 78 78 VAL HG13 H 1 0.817 0.03 . 1 . . . A 1558 VAL HG13 . 25347 1 916 . 1 1 78 78 VAL HG21 H 1 1.050 0.03 . 2 . . . A 1558 VAL HG21 . 25347 1 917 . 1 1 78 78 VAL HG22 H 1 1.050 0.03 . 2 . . . A 1558 VAL HG22 . 25347 1 918 . 1 1 78 78 VAL HG23 H 1 1.050 0.03 . 2 . . . A 1558 VAL HG23 . 25347 1 919 . 1 1 78 78 VAL C C 13 176.619 0.30 . 1 . . . A 1558 VAL C . 25347 1 920 . 1 1 78 78 VAL CA C 13 64.500 0.30 . 1 . . . A 1558 VAL CA . 25347 1 921 . 1 1 78 78 VAL CB C 13 32.741 0.30 . 1 . . . A 1558 VAL CB . 25347 1 922 . 1 1 78 78 VAL CG1 C 13 22.608 0.30 . 1 . . . A 1558 VAL CG1 . 25347 1 923 . 1 1 78 78 VAL CG2 C 13 22.937 0.30 . 1 . . . A 1558 VAL CG2 . 25347 1 924 . 1 1 78 78 VAL N N 15 126.251 0.30 . 1 . . . A 1558 VAL N . 25347 1 925 . 1 1 79 79 LYS H H 1 9.494 0.03 . 1 . . . A 1559 LYS H . 25347 1 926 . 1 1 79 79 LYS HA H 1 4.756 0.03 . 1 . . . A 1559 LYS HA . 25347 1 927 . 1 1 79 79 LYS HB2 H 1 1.922 0.03 . 2 . . . A 1559 LYS HB2 . 25347 1 928 . 1 1 79 79 LYS HB3 H 1 1.922 0.03 . 2 . . . A 1559 LYS HB3 . 25347 1 929 . 1 1 79 79 LYS HG2 H 1 1.283 0.03 . 2 . . . A 1559 LYS HG2 . 25347 1 930 . 1 1 79 79 LYS HG3 H 1 1.430 0.03 . 2 . . . A 1559 LYS HG3 . 25347 1 931 . 1 1 79 79 LYS HD2 H 1 1.445 0.03 . 2 . . . A 1559 LYS HD2 . 25347 1 932 . 1 1 79 79 LYS HD3 H 1 1.445 0.03 . 2 . . . A 1559 LYS HD3 . 25347 1 933 . 1 1 79 79 LYS HE2 H 1 2.633 0.03 . 2 . . . A 1559 LYS HE2 . 25347 1 934 . 1 1 79 79 LYS HE3 H 1 2.853 0.03 . 2 . . . A 1559 LYS HE3 . 25347 1 935 . 1 1 79 79 LYS C C 13 176.024 0.30 . 1 . . . A 1559 LYS C . 25347 1 936 . 1 1 79 79 LYS CA C 13 52.993 0.30 . 1 . . . A 1559 LYS CA . 25347 1 937 . 1 1 79 79 LYS CB C 13 34.486 0.30 . 1 . . . A 1559 LYS CB . 25347 1 938 . 1 1 79 79 LYS CG C 13 24.754 0.30 . 1 . . . A 1559 LYS CG . 25347 1 939 . 1 1 79 79 LYS CD C 13 27.449 0.30 . 1 . . . A 1559 LYS CD . 25347 1 940 . 1 1 79 79 LYS CE C 13 42.357 0.30 . 1 . . . A 1559 LYS CE . 25347 1 941 . 1 1 79 79 LYS N N 15 126.551 0.30 . 1 . . . A 1559 LYS N . 25347 1 942 . 1 1 80 80 GLY H H 1 7.459 0.03 . 1 . . . A 1560 GLY H . 25347 1 943 . 1 1 80 80 GLY HA2 H 1 4.051 0.03 . 2 . . . A 1560 GLY HA2 . 25347 1 944 . 1 1 80 80 GLY HA3 H 1 4.051 0.03 . 2 . . . A 1560 GLY HA3 . 25347 1 945 . 1 1 80 80 GLY C C 13 170.671 0.30 . 1 . . . A 1560 GLY C . 25347 1 946 . 1 1 80 80 GLY CA C 13 45.772 0.30 . 1 . . . A 1560 GLY CA . 25347 1 947 . 1 1 80 80 GLY N N 15 107.198 0.30 . 1 . . . A 1560 GLY N . 25347 1 948 . 1 1 81 81 HIS H H 1 8.673 0.03 . 1 . . . A 1561 HIS H . 25347 1 949 . 1 1 81 81 HIS HA H 1 5.815 0.03 . 1 . . . A 1561 HIS HA . 25347 1 950 . 1 1 81 81 HIS HB2 H 1 3.054 0.03 . 2 . . . A 1561 HIS HB2 . 25347 1 951 . 1 1 81 81 HIS HB3 H 1 2.919 0.03 . 2 . . . A 1561 HIS HB3 . 25347 1 952 . 1 1 81 81 HIS HD2 H 1 6.760 0.03 . 1 . . . A 1561 HIS HD2 . 25347 1 953 . 1 1 81 81 HIS HE1 H 1 7.582 0.03 . 1 . . . A 1561 HIS HE1 . 25347 1 954 . 1 1 81 81 HIS C C 13 174.721 0.30 . 1 . . . A 1561 HIS C . 25347 1 955 . 1 1 81 81 HIS CA C 13 55.716 0.30 . 1 . . . A 1561 HIS CA . 25347 1 956 . 1 1 81 81 HIS CB C 13 35.584 0.30 . 1 . . . A 1561 HIS CB . 25347 1 957 . 1 1 81 81 HIS CD2 C 13 118.231 0.30 . 1 . . . A 1561 HIS CD2 . 25347 1 958 . 1 1 81 81 HIS CE1 C 13 137.770 0.30 . 1 . . . A 1561 HIS CE1 . 25347 1 959 . 1 1 81 81 HIS N N 15 117.783 0.30 . 1 . . . A 1561 HIS N . 25347 1 960 . 1 1 82 82 ARG H H 1 9.183 0.03 . 1 . . . A 1562 ARG H . 25347 1 961 . 1 1 82 82 ARG HA H 1 4.690 0.03 . 1 . . . A 1562 ARG HA . 25347 1 962 . 1 1 82 82 ARG HB2 H 1 1.425 0.03 . 2 . . . A 1562 ARG HB2 . 25347 1 963 . 1 1 82 82 ARG HB3 H 1 1.622 0.03 . 2 . . . A 1562 ARG HB3 . 25347 1 964 . 1 1 82 82 ARG HG2 H 1 1.130 0.03 . 2 . . . A 1562 ARG HG2 . 25347 1 965 . 1 1 82 82 ARG HG3 H 1 0.993 0.03 . 2 . . . A 1562 ARG HG3 . 25347 1 966 . 1 1 82 82 ARG HD2 H 1 2.331 0.03 . 2 . . . A 1562 ARG HD2 . 25347 1 967 . 1 1 82 82 ARG HD3 H 1 1.924 0.03 . 2 . . . A 1562 ARG HD3 . 25347 1 968 . 1 1 82 82 ARG HE H 1 6.753 0.03 . 1 . . . A 1562 ARG HE . 25347 1 969 . 1 1 82 82 ARG C C 13 173.249 0.30 . 1 . . . A 1562 ARG C . 25347 1 970 . 1 1 82 82 ARG CA C 13 55.835 0.30 . 1 . . . A 1562 ARG CA . 25347 1 971 . 1 1 82 82 ARG CB C 13 34.009 0.30 . 1 . . . A 1562 ARG CB . 25347 1 972 . 1 1 82 82 ARG CG C 13 26.553 0.30 . 1 . . . A 1562 ARG CG . 25347 1 973 . 1 1 82 82 ARG CD C 13 42.898 0.30 . 1 . . . A 1562 ARG CD . 25347 1 974 . 1 1 82 82 ARG N N 15 120.935 0.30 . 1 . . . A 1562 ARG N . 25347 1 975 . 1 1 83 83 LYS H H 1 8.800 0.03 . 1 . . . A 1563 LYS H . 25347 1 976 . 1 1 83 83 LYS HA H 1 5.329 0.03 . 1 . . . A 1563 LYS HA . 25347 1 977 . 1 1 83 83 LYS HB2 H 1 1.680 0.03 . 2 . . . A 1563 LYS HB2 . 25347 1 978 . 1 1 83 83 LYS HB3 H 1 1.680 0.03 . 2 . . . A 1563 LYS HB3 . 25347 1 979 . 1 1 83 83 LYS HG2 H 1 1.358 0.03 . 2 . . . A 1563 LYS HG2 . 25347 1 980 . 1 1 83 83 LYS HG3 H 1 1.193 0.03 . 2 . . . A 1563 LYS HG3 . 25347 1 981 . 1 1 83 83 LYS HD2 H 1 1.603 0.03 . 2 . . . A 1563 LYS HD2 . 25347 1 982 . 1 1 83 83 LYS HD3 H 1 1.603 0.03 . 2 . . . A 1563 LYS HD3 . 25347 1 983 . 1 1 83 83 LYS HE2 H 1 2.849 0.03 . 2 . . . A 1563 LYS HE2 . 25347 1 984 . 1 1 83 83 LYS HE3 H 1 2.849 0.03 . 2 . . . A 1563 LYS HE3 . 25347 1 985 . 1 1 83 83 LYS C C 13 176.138 0.30 . 1 . . . A 1563 LYS C . 25347 1 986 . 1 1 83 83 LYS CA C 13 54.913 0.30 . 1 . . . A 1563 LYS CA . 25347 1 987 . 1 1 83 83 LYS CB C 13 34.524 0.30 . 1 . . . A 1563 LYS CB . 25347 1 988 . 1 1 83 83 LYS CG C 13 25.355 0.30 . 1 . . . A 1563 LYS CG . 25347 1 989 . 1 1 83 83 LYS CD C 13 29.500 0.30 . 1 . . . A 1563 LYS CD . 25347 1 990 . 1 1 83 83 LYS CE C 13 41.977 0.30 . 1 . . . A 1563 LYS CE . 25347 1 991 . 1 1 83 83 LYS N N 15 124.284 0.30 . 1 . . . A 1563 LYS N . 25347 1 992 . 1 1 84 84 GLU H H 1 8.805 0.03 . 1 . . . A 1564 GLU H . 25347 1 993 . 1 1 84 84 GLU HA H 1 4.557 0.03 . 1 . . . A 1564 GLU HA . 25347 1 994 . 1 1 84 84 GLU HB2 H 1 1.798 0.03 . 2 . . . A 1564 GLU HB2 . 25347 1 995 . 1 1 84 84 GLU HB3 H 1 1.993 0.03 . 2 . . . A 1564 GLU HB3 . 25347 1 996 . 1 1 84 84 GLU HG2 H 1 2.089 0.03 . 2 . . . A 1564 GLU HG2 . 25347 1 997 . 1 1 84 84 GLU HG3 H 1 2.089 0.03 . 2 . . . A 1564 GLU HG3 . 25347 1 998 . 1 1 84 84 GLU CA C 13 55.610 0.30 . 1 . . . A 1564 GLU CA . 25347 1 999 . 1 1 84 84 GLU CB C 13 32.380 0.30 . 1 . . . A 1564 GLU CB . 25347 1 1000 . 1 1 84 84 GLU CG C 13 35.906 0.30 . 1 . . . A 1564 GLU CG . 25347 1 1001 . 1 1 84 84 GLU N N 15 124.128 0.30 . 1 . . . A 1564 GLU N . 25347 1 1002 . 1 1 85 85 SER H H 1 7.935 0.03 . 1 . . . A 1565 SER H . 25347 1 1003 . 1 1 85 85 SER HA H 1 4.069 0.03 . 1 . . . A 1565 SER HA . 25347 1 1004 . 1 1 85 85 SER HB2 H 1 3.965 0.03 . 2 . . . A 1565 SER HB2 . 25347 1 1005 . 1 1 85 85 SER HB3 H 1 4.157 0.03 . 2 . . . A 1565 SER HB3 . 25347 1 1006 . 1 1 85 85 SER CA C 13 59.023 0.30 . 1 . . . A 1565 SER CA . 25347 1 1007 . 1 1 85 85 SER CB C 13 62.046 0.30 . 1 . . . A 1565 SER CB . 25347 1 1008 . 1 1 85 85 SER N N 15 114.828 0.30 . 1 . . . A 1565 SER N . 25347 1 1009 . 1 1 86 86 GLY HA2 H 1 3.690 0.03 . 2 . . . A 1566 GLY HA2 . 25347 1 1010 . 1 1 86 86 GLY HA3 H 1 4.192 0.03 . 2 . . . A 1566 GLY HA3 . 25347 1 1011 . 1 1 86 86 GLY C C 13 173.574 0.30 . 1 . . . A 1566 GLY C . 25347 1 1012 . 1 1 86 86 GLY CA C 13 45.230 0.30 . 1 . . . A 1566 GLY CA . 25347 1 1013 . 1 1 87 87 GLU H H 1 7.938 0.03 . 1 . . . A 1567 GLU H . 25347 1 1014 . 1 1 87 87 GLU HA H 1 4.616 0.03 . 1 . . . A 1567 GLU HA . 25347 1 1015 . 1 1 87 87 GLU HB2 H 1 2.027 0.03 . 2 . . . A 1567 GLU HB2 . 25347 1 1016 . 1 1 87 87 GLU HB3 H 1 2.027 0.03 . 2 . . . A 1567 GLU HB3 . 25347 1 1017 . 1 1 87 87 GLU HG2 H 1 2.067 0.03 . 2 . . . A 1567 GLU HG2 . 25347 1 1018 . 1 1 87 87 GLU HG3 H 1 2.067 0.03 . 2 . . . A 1567 GLU HG3 . 25347 1 1019 . 1 1 87 87 GLU C C 13 176.520 0.30 . 1 . . . A 1567 GLU C . 25347 1 1020 . 1 1 87 87 GLU CA C 13 54.453 0.30 . 1 . . . A 1567 GLU CA . 25347 1 1021 . 1 1 87 87 GLU CB C 13 32.347 0.30 . 1 . . . A 1567 GLU CB . 25347 1 1022 . 1 1 87 87 GLU CG C 13 36.073 0.30 . 1 . . . A 1567 GLU CG . 25347 1 1023 . 1 1 87 87 GLU N N 15 121.835 0.30 . 1 . . . A 1567 GLU N . 25347 1 1024 . 1 1 88 88 LEU H H 1 8.475 0.03 . 1 . . . A 1568 LEU H . 25347 1 1025 . 1 1 88 88 LEU HA H 1 4.889 0.03 . 1 . . . A 1568 LEU HA . 25347 1 1026 . 1 1 88 88 LEU HB2 H 1 1.540 0.03 . 2 . . . A 1568 LEU HB2 . 25347 1 1027 . 1 1 88 88 LEU HB3 H 1 1.343 0.03 . 2 . . . A 1568 LEU HB3 . 25347 1 1028 . 1 1 88 88 LEU HG H 1 1.154 0.03 . 1 . . . A 1568 LEU HG . 25347 1 1029 . 1 1 88 88 LEU HD11 H 1 0.693 0.03 . 2 . . . A 1568 LEU HD11 . 25347 1 1030 . 1 1 88 88 LEU HD12 H 1 0.693 0.03 . 2 . . . A 1568 LEU HD12 . 25347 1 1031 . 1 1 88 88 LEU HD13 H 1 0.693 0.03 . 2 . . . A 1568 LEU HD13 . 25347 1 1032 . 1 1 88 88 LEU HD21 H 1 0.544 0.03 . 2 . . . A 1568 LEU HD21 . 25347 1 1033 . 1 1 88 88 LEU HD22 H 1 0.544 0.03 . 2 . . . A 1568 LEU HD22 . 25347 1 1034 . 1 1 88 88 LEU HD23 H 1 0.544 0.03 . 2 . . . A 1568 LEU HD23 . 25347 1 1035 . 1 1 88 88 LEU C C 13 174.325 0.30 . 1 . . . A 1568 LEU C . 25347 1 1036 . 1 1 88 88 LEU CA C 13 54.620 0.30 . 1 . . . A 1568 LEU CA . 25347 1 1037 . 1 1 88 88 LEU CB C 13 44.259 0.30 . 1 . . . A 1568 LEU CB . 25347 1 1038 . 1 1 88 88 LEU CG C 13 27.027 0.30 . 1 . . . A 1568 LEU CG . 25347 1 1039 . 1 1 88 88 LEU CD1 C 13 24.255 0.30 . 1 . . . A 1568 LEU CD1 . 25347 1 1040 . 1 1 88 88 LEU CD2 C 13 27.038 0.30 . 1 . . . A 1568 LEU CD2 . 25347 1 1041 . 1 1 88 88 LEU N N 15 126.407 0.30 . 1 . . . A 1568 LEU N . 25347 1 1042 . 1 1 89 89 TYR H H 1 9.328 0.03 . 1 . . . A 1569 TYR H . 25347 1 1043 . 1 1 89 89 TYR HA H 1 5.322 0.03 . 1 . . . A 1569 TYR HA . 25347 1 1044 . 1 1 89 89 TYR HB2 H 1 2.999 0.03 . 2 . . . A 1569 TYR HB2 . 25347 1 1045 . 1 1 89 89 TYR HB3 H 1 2.719 0.03 . 2 . . . A 1569 TYR HB3 . 25347 1 1046 . 1 1 89 89 TYR HD1 H 1 7.219 0.03 . 3 . . . A 1569 TYR HD1 . 25347 1 1047 . 1 1 89 89 TYR HD2 H 1 7.219 0.03 . 3 . . . A 1569 TYR HD2 . 25347 1 1048 . 1 1 89 89 TYR HE1 H 1 6.897 0.03 . 3 . . . A 1569 TYR HE1 . 25347 1 1049 . 1 1 89 89 TYR HE2 H 1 6.897 0.03 . 3 . . . A 1569 TYR HE2 . 25347 1 1050 . 1 1 89 89 TYR C C 13 175.189 0.30 . 1 . . . A 1569 TYR C . 25347 1 1051 . 1 1 89 89 TYR CA C 13 56.177 0.30 . 1 . . . A 1569 TYR CA . 25347 1 1052 . 1 1 89 89 TYR CB C 13 42.667 0.30 . 1 . . . A 1569 TYR CB . 25347 1 1053 . 1 1 89 89 TYR CD1 C 13 133.994 0.30 . 3 . . . A 1569 TYR CD1 . 25347 1 1054 . 1 1 89 89 TYR CD2 C 13 133.994 0.30 . 3 . . . A 1569 TYR CD2 . 25347 1 1055 . 1 1 89 89 TYR CE1 C 13 118.080 0.30 . 3 . . . A 1569 TYR CE1 . 25347 1 1056 . 1 1 89 89 TYR CE2 C 13 118.080 0.30 . 3 . . . A 1569 TYR CE2 . 25347 1 1057 . 1 1 89 89 TYR N N 15 123.583 0.30 . 1 . . . A 1569 TYR N . 25347 1 1058 . 1 1 90 90 TYR H H 1 9.928 0.03 . 1 . . . A 1570 TYR H . 25347 1 1059 . 1 1 90 90 TYR HA H 1 5.245 0.03 . 1 . . . A 1570 TYR HA . 25347 1 1060 . 1 1 90 90 TYR HB2 H 1 2.933 0.03 . 2 . . . A 1570 TYR HB2 . 25347 1 1061 . 1 1 90 90 TYR HB3 H 1 2.903 0.03 . 2 . . . A 1570 TYR HB3 . 25347 1 1062 . 1 1 90 90 TYR HD1 H 1 7.148 0.03 . 3 . . . A 1570 TYR HD1 . 25347 1 1063 . 1 1 90 90 TYR HD2 H 1 7.148 0.03 . 3 . . . A 1570 TYR HD2 . 25347 1 1064 . 1 1 90 90 TYR HE1 H 1 7.114 0.03 . 3 . . . A 1570 TYR HE1 . 25347 1 1065 . 1 1 90 90 TYR HE2 H 1 7.114 0.03 . 3 . . . A 1570 TYR HE2 . 25347 1 1066 . 1 1 90 90 TYR HH H 1 9.167 0.03 . 1 . . . A 1570 TYR HH . 25347 1 1067 . 1 1 90 90 TYR C C 13 175.500 0.30 . 1 . . . A 1570 TYR C . 25347 1 1068 . 1 1 90 90 TYR CA C 13 57.703 0.30 . 1 . . . A 1570 TYR CA . 25347 1 1069 . 1 1 90 90 TYR CB C 13 43.087 0.30 . 1 . . . A 1570 TYR CB . 25347 1 1070 . 1 1 90 90 TYR CD1 C 13 133.246 0.30 . 3 . . . A 1570 TYR CD1 . 25347 1 1071 . 1 1 90 90 TYR CD2 C 13 133.246 0.30 . 3 . . . A 1570 TYR CD2 . 25347 1 1072 . 1 1 90 90 TYR CE1 C 13 117.677 0.30 . 3 . . . A 1570 TYR CE1 . 25347 1 1073 . 1 1 90 90 TYR CE2 C 13 117.677 0.30 . 3 . . . A 1570 TYR CE2 . 25347 1 1074 . 1 1 90 90 TYR N N 15 118.359 0.30 . 1 . . . A 1570 TYR N . 25347 1 1075 . 1 1 91 91 SER H H 1 8.338 0.03 . 1 . . . A 1571 SER H . 25347 1 1076 . 1 1 91 91 SER HA H 1 4.123 0.03 . 1 . . . A 1571 SER HA . 25347 1 1077 . 1 1 91 91 SER HB2 H 1 2.709 0.03 . 2 . . . A 1571 SER HB2 . 25347 1 1078 . 1 1 91 91 SER HB3 H 1 1.515 0.03 . 2 . . . A 1571 SER HB3 . 25347 1 1079 . 1 1 91 91 SER C C 13 174.155 0.30 . 1 . . . A 1571 SER C . 25347 1 1080 . 1 1 91 91 SER CA C 13 55.796 0.30 . 1 . . . A 1571 SER CA . 25347 1 1081 . 1 1 91 91 SER CB C 13 60.800 0.30 . 1 . . . A 1571 SER CB . 25347 1 1082 . 1 1 91 91 SER N N 15 120.246 0.30 . 1 . . . A 1571 SER N . 25347 1 1083 . 1 1 92 92 ILE H H 1 9.022 0.03 . 1 . . . A 1572 ILE H . 25347 1 1084 . 1 1 92 92 ILE HA H 1 4.686 0.03 . 1 . . . A 1572 ILE HA . 25347 1 1085 . 1 1 92 92 ILE HB H 1 2.044 0.03 . 1 . . . A 1572 ILE HB . 25347 1 1086 . 1 1 92 92 ILE HG12 H 1 1.210 0.03 . 1 . . . A 1572 ILE HG12 . 25347 1 1087 . 1 1 92 92 ILE HG13 H 1 1.060 0.03 . 1 . . . A 1572 ILE HG13 . 25347 1 1088 . 1 1 92 92 ILE HG21 H 1 0.430 0.03 . 1 . . . A 1572 ILE HG21 . 25347 1 1089 . 1 1 92 92 ILE HG22 H 1 0.430 0.03 . 1 . . . A 1572 ILE HG22 . 25347 1 1090 . 1 1 92 92 ILE HG23 H 1 0.430 0.03 . 1 . . . A 1572 ILE HG23 . 25347 1 1091 . 1 1 92 92 ILE HD11 H 1 0.452 0.03 . 1 . . . A 1572 ILE HD11 . 25347 1 1092 . 1 1 92 92 ILE HD12 H 1 0.452 0.03 . 1 . . . A 1572 ILE HD12 . 25347 1 1093 . 1 1 92 92 ILE HD13 H 1 0.452 0.03 . 1 . . . A 1572 ILE HD13 . 25347 1 1094 . 1 1 92 92 ILE C C 13 175.175 0.30 . 1 . . . A 1572 ILE C . 25347 1 1095 . 1 1 92 92 ILE CA C 13 57.846 0.30 . 1 . . . A 1572 ILE CA . 25347 1 1096 . 1 1 92 92 ILE CB C 13 37.921 0.30 . 1 . . . A 1572 ILE CB . 25347 1 1097 . 1 1 92 92 ILE CG1 C 13 27.731 0.30 . 1 . . . A 1572 ILE CG1 . 25347 1 1098 . 1 1 92 92 ILE CG2 C 13 16.728 0.30 . 1 . . . A 1572 ILE CG2 . 25347 1 1099 . 1 1 92 92 ILE CD1 C 13 13.469 0.30 . 1 . . . A 1572 ILE CD1 . 25347 1 1100 . 1 1 92 92 ILE N N 15 129.513 0.30 . 1 . . . A 1572 ILE N . 25347 1 1101 . 1 1 93 93 GLU H H 1 9.424 0.03 . 1 . . . A 1573 GLU H . 25347 1 1102 . 1 1 93 93 GLU HA H 1 5.090 0.03 . 1 . . . A 1573 GLU HA . 25347 1 1103 . 1 1 93 93 GLU HB2 H 1 1.993 0.03 . 2 . . . A 1573 GLU HB2 . 25347 1 1104 . 1 1 93 93 GLU HB3 H 1 1.633 0.03 . 2 . . . A 1573 GLU HB3 . 25347 1 1105 . 1 1 93 93 GLU HG2 H 1 1.958 0.03 . 2 . . . A 1573 GLU HG2 . 25347 1 1106 . 1 1 93 93 GLU HG3 H 1 1.908 0.03 . 2 . . . A 1573 GLU HG3 . 25347 1 1107 . 1 1 93 93 GLU C C 13 175.330 0.30 . 1 . . . A 1573 GLU C . 25347 1 1108 . 1 1 93 93 GLU CA C 13 54.709 0.30 . 1 . . . A 1573 GLU CA . 25347 1 1109 . 1 1 93 93 GLU CB C 13 33.748 0.30 . 1 . . . A 1573 GLU CB . 25347 1 1110 . 1 1 93 93 GLU CG C 13 37.361 0.30 . 1 . . . A 1573 GLU CG . 25347 1 1111 . 1 1 93 93 GLU N N 15 129.953 0.30 . 1 . . . A 1573 GLU N . 25347 1 1112 . 1 1 94 94 LYS H H 1 8.912 0.03 . 1 . . . A 1574 LYS H . 25347 1 1113 . 1 1 94 94 LYS HA H 1 4.636 0.03 . 1 . . . A 1574 LYS HA . 25347 1 1114 . 1 1 94 94 LYS HB2 H 1 1.970 0.03 . 2 . . . A 1574 LYS HB2 . 25347 1 1115 . 1 1 94 94 LYS HB3 H 1 1.884 0.03 . 2 . . . A 1574 LYS HB3 . 25347 1 1116 . 1 1 94 94 LYS HG2 H 1 1.390 0.03 . 2 . . . A 1574 LYS HG2 . 25347 1 1117 . 1 1 94 94 LYS HG3 H 1 1.530 0.03 . 2 . . . A 1574 LYS HG3 . 25347 1 1118 . 1 1 94 94 LYS HD2 H 1 1.764 0.03 . 2 . . . A 1574 LYS HD2 . 25347 1 1119 . 1 1 94 94 LYS HD3 H 1 1.676 0.03 . 2 . . . A 1574 LYS HD3 . 25347 1 1120 . 1 1 94 94 LYS HE2 H 1 2.897 0.03 . 2 . . . A 1574 LYS HE2 . 25347 1 1121 . 1 1 94 94 LYS HE3 H 1 2.897 0.03 . 2 . . . A 1574 LYS HE3 . 25347 1 1122 . 1 1 94 94 LYS C C 13 175.420 0.30 . 1 . . . A 1574 LYS C . 25347 1 1123 . 1 1 94 94 LYS CA C 13 56.308 0.30 . 1 . . . A 1574 LYS CA . 25347 1 1124 . 1 1 94 94 LYS CB C 13 35.203 0.30 . 1 . . . A 1574 LYS CB . 25347 1 1125 . 1 1 94 94 LYS CG C 13 24.752 0.30 . 1 . . . A 1574 LYS CG . 25347 1 1126 . 1 1 94 94 LYS CD C 13 29.651 0.30 . 1 . . . A 1574 LYS CD . 25347 1 1127 . 1 1 94 94 LYS CE C 13 42.313 0.30 . 1 . . . A 1574 LYS CE . 25347 1 1128 . 1 1 94 94 LYS N N 15 128.419 0.30 . 1 . . . A 1574 LYS N . 25347 1 1129 . 1 1 95 95 GLU HA H 1 3.928 0.03 . 1 . . . A 1575 GLU HA . 25347 1 1130 . 1 1 95 95 GLU HB2 H 1 2.296 0.03 . 2 . . . A 1575 GLU HB2 . 25347 1 1131 . 1 1 95 95 GLU HB3 H 1 2.040 0.03 . 2 . . . A 1575 GLU HB3 . 25347 1 1132 . 1 1 95 95 GLU HG2 H 1 2.296 0.03 . 2 . . . A 1575 GLU HG2 . 25347 1 1133 . 1 1 95 95 GLU HG3 H 1 2.296 0.03 . 2 . . . A 1575 GLU HG3 . 25347 1 1134 . 1 1 95 95 GLU C C 13 176.676 0.30 . 1 . . . A 1575 GLU C . 25347 1 1135 . 1 1 95 95 GLU CA C 13 57.259 0.30 . 1 . . . A 1575 GLU CA . 25347 1 1136 . 1 1 95 95 GLU CB C 13 27.644 0.30 . 1 . . . A 1575 GLU CB . 25347 1 1137 . 1 1 95 95 GLU CG C 13 36.921 0.30 . 1 . . . A 1575 GLU CG . 25347 1 1138 . 1 1 96 96 GLY H H 1 8.764 0.03 . 1 . . . A 1576 GLY H . 25347 1 1139 . 1 1 96 96 GLY HA2 H 1 4.131 0.03 . 2 . . . A 1576 GLY HA2 . 25347 1 1140 . 1 1 96 96 GLY HA3 H 1 3.626 0.03 . 2 . . . A 1576 GLY HA3 . 25347 1 1141 . 1 1 96 96 GLY C C 13 173.674 0.30 . 1 . . . A 1576 GLY C . 25347 1 1142 . 1 1 96 96 GLY CA C 13 45.740 0.30 . 1 . . . A 1576 GLY CA . 25347 1 1143 . 1 1 96 96 GLY N N 15 103.748 0.30 . 1 . . . A 1576 GLY N . 25347 1 1144 . 1 1 97 97 GLN H H 1 7.837 0.03 . 1 . . . A 1577 GLN H . 25347 1 1145 . 1 1 97 97 GLN HA H 1 4.737 0.03 . 1 . . . A 1577 GLN HA . 25347 1 1146 . 1 1 97 97 GLN HB2 H 1 2.170 0.03 . 2 . . . A 1577 GLN HB2 . 25347 1 1147 . 1 1 97 97 GLN HB3 H 1 2.023 0.03 . 2 . . . A 1577 GLN HB3 . 25347 1 1148 . 1 1 97 97 GLN HG2 H 1 2.318 0.03 . 2 . . . A 1577 GLN HG2 . 25347 1 1149 . 1 1 97 97 GLN HG3 H 1 2.410 0.03 . 2 . . . A 1577 GLN HG3 . 25347 1 1150 . 1 1 97 97 GLN HE21 H 1 7.631 0.03 . 2 . . . A 1577 GLN HE21 . 25347 1 1151 . 1 1 97 97 GLN HE22 H 1 6.933 0.03 . 2 . . . A 1577 GLN HE22 . 25347 1 1152 . 1 1 97 97 GLN C C 13 174.707 0.30 . 1 . . . A 1577 GLN C . 25347 1 1153 . 1 1 97 97 GLN CA C 13 54.128 0.30 . 1 . . . A 1577 GLN CA . 25347 1 1154 . 1 1 97 97 GLN CB C 13 31.651 0.30 . 1 . . . A 1577 GLN CB . 25347 1 1155 . 1 1 97 97 GLN CG C 13 33.771 0.30 . 1 . . . A 1577 GLN CG . 25347 1 1156 . 1 1 97 97 GLN N N 15 119.425 0.30 . 1 . . . A 1577 GLN N . 25347 1 1157 . 1 1 97 97 GLN NE2 N 15 112.620 0.30 . 1 . . . A 1577 GLN NE2 . 25347 1 1158 . 1 1 98 98 ARG H H 1 8.793 0.03 . 1 . . . A 1578 ARG H . 25347 1 1159 . 1 1 98 98 ARG HA H 1 5.230 0.03 . 1 . . . A 1578 ARG HA . 25347 1 1160 . 1 1 98 98 ARG HB2 H 1 1.289 0.03 . 2 . . . A 1578 ARG HB2 . 25347 1 1161 . 1 1 98 98 ARG HB3 H 1 1.397 0.03 . 2 . . . A 1578 ARG HB3 . 25347 1 1162 . 1 1 98 98 ARG HG2 H 1 1.047 0.03 . 2 . . . A 1578 ARG HG2 . 25347 1 1163 . 1 1 98 98 ARG HG3 H 1 1.047 0.03 . 2 . . . A 1578 ARG HG3 . 25347 1 1164 . 1 1 98 98 ARG HD2 H 1 2.792 0.03 . 2 . . . A 1578 ARG HD2 . 25347 1 1165 . 1 1 98 98 ARG HD3 H 1 2.792 0.03 . 2 . . . A 1578 ARG HD3 . 25347 1 1166 . 1 1 98 98 ARG C C 13 175.288 0.30 . 1 . . . A 1578 ARG C . 25347 1 1167 . 1 1 98 98 ARG CA C 13 55.064 0.30 . 1 . . . A 1578 ARG CA . 25347 1 1168 . 1 1 98 98 ARG CB C 13 32.014 0.30 . 1 . . . A 1578 ARG CB . 25347 1 1169 . 1 1 98 98 ARG CG C 13 27.713 0.30 . 1 . . . A 1578 ARG CG . 25347 1 1170 . 1 1 98 98 ARG CD C 13 43.464 0.30 . 1 . . . A 1578 ARG CD . 25347 1 1171 . 1 1 98 98 ARG N N 15 122.086 0.30 . 1 . . . A 1578 ARG N . 25347 1 1172 . 1 1 99 99 LYS H H 1 8.030 0.03 . 1 . . . A 1579 LYS H . 25347 1 1173 . 1 1 99 99 LYS HA H 1 4.415 0.03 . 1 . . . A 1579 LYS HA . 25347 1 1174 . 1 1 99 99 LYS HB2 H 1 1.696 0.03 . 2 . . . A 1579 LYS HB2 . 25347 1 1175 . 1 1 99 99 LYS HB3 H 1 1.696 0.03 . 2 . . . A 1579 LYS HB3 . 25347 1 1176 . 1 1 99 99 LYS HG2 H 1 1.368 0.03 . 2 . . . A 1579 LYS HG2 . 25347 1 1177 . 1 1 99 99 LYS HG3 H 1 1.248 0.03 . 2 . . . A 1579 LYS HG3 . 25347 1 1178 . 1 1 99 99 LYS HD2 H 1 1.605 0.03 . 2 . . . A 1579 LYS HD2 . 25347 1 1179 . 1 1 99 99 LYS HD3 H 1 1.605 0.03 . 2 . . . A 1579 LYS HD3 . 25347 1 1180 . 1 1 99 99 LYS HE2 H 1 2.895 0.03 . 2 . . . A 1579 LYS HE2 . 25347 1 1181 . 1 1 99 99 LYS HE3 H 1 2.895 0.03 . 2 . . . A 1579 LYS HE3 . 25347 1 1182 . 1 1 99 99 LYS C C 13 174.750 0.30 . 1 . . . A 1579 LYS C . 25347 1 1183 . 1 1 99 99 LYS CA C 13 55.019 0.30 . 1 . . . A 1579 LYS CA . 25347 1 1184 . 1 1 99 99 LYS CB C 13 37.242 0.30 . 1 . . . A 1579 LYS CB . 25347 1 1185 . 1 1 99 99 LYS CG C 13 25.450 0.30 . 1 . . . A 1579 LYS CG . 25347 1 1186 . 1 1 99 99 LYS CD C 13 29.409 0.30 . 1 . . . A 1579 LYS CD . 25347 1 1187 . 1 1 99 99 LYS CE C 13 42.192 0.30 . 1 . . . A 1579 LYS CE . 25347 1 1188 . 1 1 99 99 LYS N N 15 122.566 0.30 . 1 . . . A 1579 LYS N . 25347 1 1189 . 1 1 100 100 TRP H H 1 8.519 0.03 . 1 . . . A 1580 TRP H . 25347 1 1190 . 1 1 100 100 TRP HA H 1 5.607 0.03 . 1 . . . A 1580 TRP HA . 25347 1 1191 . 1 1 100 100 TRP HB2 H 1 3.098 0.03 . 2 . . . A 1580 TRP HB2 . 25347 1 1192 . 1 1 100 100 TRP HB3 H 1 2.930 0.03 . 2 . . . A 1580 TRP HB3 . 25347 1 1193 . 1 1 100 100 TRP HD1 H 1 7.306 0.03 . 1 . . . A 1580 TRP HD1 . 25347 1 1194 . 1 1 100 100 TRP HE3 H 1 7.301 0.03 . 1 . . . A 1580 TRP HE3 . 25347 1 1195 . 1 1 100 100 TRP HZ2 H 1 7.489 0.03 . 1 . . . A 1580 TRP HZ2 . 25347 1 1196 . 1 1 100 100 TRP HZ3 H 1 6.729 0.03 . 1 . . . A 1580 TRP HZ3 . 25347 1 1197 . 1 1 100 100 TRP HH2 H 1 7.032 0.03 . 1 . . . A 1580 TRP HH2 . 25347 1 1198 . 1 1 100 100 TRP C C 13 177.100 0.30 . 1 . . . A 1580 TRP C . 25347 1 1199 . 1 1 100 100 TRP CA C 13 56.370 0.30 . 1 . . . A 1580 TRP CA . 25347 1 1200 . 1 1 100 100 TRP CB C 13 30.924 0.30 . 1 . . . A 1580 TRP CB . 25347 1 1201 . 1 1 100 100 TRP CD1 C 13 128.439 0.30 . 1 . . . A 1580 TRP CD1 . 25347 1 1202 . 1 1 100 100 TRP CE3 C 13 120.372 0.30 . 1 . . . A 1580 TRP CE3 . 25347 1 1203 . 1 1 100 100 TRP CZ2 C 13 115.342 0.30 . 1 . . . A 1580 TRP CZ2 . 25347 1 1204 . 1 1 100 100 TRP CZ3 C 13 123.617 0.30 . 1 . . . A 1580 TRP CZ3 . 25347 1 1205 . 1 1 100 100 TRP CH2 C 13 123.538 0.30 . 1 . . . A 1580 TRP CH2 . 25347 1 1206 . 1 1 100 100 TRP N N 15 120.963 0.30 . 1 . . . A 1580 TRP N . 25347 1 1207 . 1 1 101 101 TYR H H 1 10.029 0.03 . 1 . . . A 1581 TYR H . 25347 1 1208 . 1 1 101 101 TYR HA H 1 4.999 0.03 . 1 . . . A 1581 TYR HA . 25347 1 1209 . 1 1 101 101 TYR HB2 H 1 2.718 0.03 . 2 . . . A 1581 TYR HB2 . 25347 1 1210 . 1 1 101 101 TYR HB3 H 1 3.110 0.03 . 2 . . . A 1581 TYR HB3 . 25347 1 1211 . 1 1 101 101 TYR HD1 H 1 7.221 0.03 . 3 . . . A 1581 TYR HD1 . 25347 1 1212 . 1 1 101 101 TYR HD2 H 1 7.221 0.03 . 3 . . . A 1581 TYR HD2 . 25347 1 1213 . 1 1 101 101 TYR HE1 H 1 6.638 0.03 . 3 . . . A 1581 TYR HE1 . 25347 1 1214 . 1 1 101 101 TYR HE2 H 1 6.638 0.03 . 3 . . . A 1581 TYR HE2 . 25347 1 1215 . 1 1 101 101 TYR HH H 1 8.540 0.03 . 1 . . . A 1581 TYR HH . 25347 1 1216 . 1 1 101 101 TYR C C 13 175.642 0.30 . 1 . . . A 1581 TYR C . 25347 1 1217 . 1 1 101 101 TYR CA C 13 57.321 0.30 . 1 . . . A 1581 TYR CA . 25347 1 1218 . 1 1 101 101 TYR CB C 13 42.876 0.30 . 1 . . . A 1581 TYR CB . 25347 1 1219 . 1 1 101 101 TYR CD1 C 13 133.848 0.30 . 3 . . . A 1581 TYR CD1 . 25347 1 1220 . 1 1 101 101 TYR CD2 C 13 133.848 0.30 . 3 . . . A 1581 TYR CD2 . 25347 1 1221 . 1 1 101 101 TYR CE1 C 13 117.825 0.30 . 3 . . . A 1581 TYR CE1 . 25347 1 1222 . 1 1 101 101 TYR CE2 C 13 117.825 0.30 . 3 . . . A 1581 TYR CE2 . 25347 1 1223 . 1 1 101 101 TYR N N 15 122.435 0.30 . 1 . . . A 1581 TYR N . 25347 1 1224 . 1 1 102 102 LYS H H 1 9.173 0.03 . 1 . . . A 1582 LYS H . 25347 1 1225 . 1 1 102 102 LYS HA H 1 4.036 0.03 . 1 . . . A 1582 LYS HA . 25347 1 1226 . 1 1 102 102 LYS HB2 H 1 1.986 0.03 . 2 . . . A 1582 LYS HB2 . 25347 1 1227 . 1 1 102 102 LYS HB3 H 1 1.837 0.03 . 2 . . . A 1582 LYS HB3 . 25347 1 1228 . 1 1 102 102 LYS HG2 H 1 1.459 0.03 . 2 . . . A 1582 LYS HG2 . 25347 1 1229 . 1 1 102 102 LYS HG3 H 1 1.523 0.03 . 2 . . . A 1582 LYS HG3 . 25347 1 1230 . 1 1 102 102 LYS HD2 H 1 1.773 0.03 . 2 . . . A 1582 LYS HD2 . 25347 1 1231 . 1 1 102 102 LYS HD3 H 1 1.773 0.03 . 2 . . . A 1582 LYS HD3 . 25347 1 1232 . 1 1 102 102 LYS HE2 H 1 3.091 0.03 . 2 . . . A 1582 LYS HE2 . 25347 1 1233 . 1 1 102 102 LYS HE3 H 1 3.091 0.03 . 2 . . . A 1582 LYS HE3 . 25347 1 1234 . 1 1 102 102 LYS C C 13 177.185 0.30 . 1 . . . A 1582 LYS C . 25347 1 1235 . 1 1 102 102 LYS CA C 13 57.179 0.30 . 1 . . . A 1582 LYS CA . 25347 1 1236 . 1 1 102 102 LYS CB C 13 33.606 0.30 . 1 . . . A 1582 LYS CB . 25347 1 1237 . 1 1 102 102 LYS CG C 13 26.156 0.30 . 1 . . . A 1582 LYS CG . 25347 1 1238 . 1 1 102 102 LYS CD C 13 29.953 0.30 . 1 . . . A 1582 LYS CD . 25347 1 1239 . 1 1 102 102 LYS CE C 13 42.216 0.30 . 1 . . . A 1582 LYS CE . 25347 1 1240 . 1 1 102 102 LYS N N 15 122.565 0.30 . 1 . . . A 1582 LYS N . 25347 1 1241 . 1 1 103 103 ARG H H 1 7.908 0.03 . 1 . . . A 1583 ARG H . 25347 1 1242 . 1 1 103 103 ARG HA H 1 4.057 0.03 . 1 . . . A 1583 ARG HA . 25347 1 1243 . 1 1 103 103 ARG HB2 H 1 2.253 0.03 . 2 . . . A 1583 ARG HB2 . 25347 1 1244 . 1 1 103 103 ARG HB3 H 1 1.974 0.03 . 2 . . . A 1583 ARG HB3 . 25347 1 1245 . 1 1 103 103 ARG HG2 H 1 2.007 0.03 . 2 . . . A 1583 ARG HG2 . 25347 1 1246 . 1 1 103 103 ARG HG3 H 1 1.756 0.03 . 2 . . . A 1583 ARG HG3 . 25347 1 1247 . 1 1 103 103 ARG HD2 H 1 3.303 0.03 . 2 . . . A 1583 ARG HD2 . 25347 1 1248 . 1 1 103 103 ARG HD3 H 1 3.303 0.03 . 2 . . . A 1583 ARG HD3 . 25347 1 1249 . 1 1 103 103 ARG C C 13 179.225 0.30 . 1 . . . A 1583 ARG C . 25347 1 1250 . 1 1 103 103 ARG CA C 13 61.241 0.30 . 1 . . . A 1583 ARG CA . 25347 1 1251 . 1 1 103 103 ARG CB C 13 31.732 0.30 . 1 . . . A 1583 ARG CB . 25347 1 1252 . 1 1 103 103 ARG CG C 13 27.348 0.30 . 1 . . . A 1583 ARG CG . 25347 1 1253 . 1 1 103 103 ARG CD C 13 45.112 0.30 . 1 . . . A 1583 ARG CD . 25347 1 1254 . 1 1 103 103 ARG N N 15 120.845 0.30 . 1 . . . A 1583 ARG N . 25347 1 1255 . 1 1 104 104 MET H H 1 8.971 0.03 . 1 . . . A 1584 MET H . 25347 1 1256 . 1 1 104 104 MET HA H 1 4.604 0.03 . 1 . . . A 1584 MET HA . 25347 1 1257 . 1 1 104 104 MET HB2 H 1 2.285 0.03 . 2 . . . A 1584 MET HB2 . 25347 1 1258 . 1 1 104 104 MET HB3 H 1 2.419 0.03 . 2 . . . A 1584 MET HB3 . 25347 1 1259 . 1 1 104 104 MET HG2 H 1 2.721 0.03 . 2 . . . A 1584 MET HG2 . 25347 1 1260 . 1 1 104 104 MET HG3 H 1 2.611 0.03 . 2 . . . A 1584 MET HG3 . 25347 1 1261 . 1 1 104 104 MET HE1 H 1 2.150 0.03 . 1 . . . A 1584 MET HE1 . 25347 1 1262 . 1 1 104 104 MET HE2 H 1 2.150 0.03 . 1 . . . A 1584 MET HE2 . 25347 1 1263 . 1 1 104 104 MET HE3 H 1 2.150 0.03 . 1 . . . A 1584 MET HE3 . 25347 1 1264 . 1 1 104 104 MET C C 13 175.529 0.30 . 1 . . . A 1584 MET C . 25347 1 1265 . 1 1 104 104 MET CA C 13 57.930 0.30 . 1 . . . A 1584 MET CA . 25347 1 1266 . 1 1 104 104 MET CB C 13 32.811 0.30 . 1 . . . A 1584 MET CB . 25347 1 1267 . 1 1 104 104 MET CG C 13 31.550 0.30 . 1 . . . A 1584 MET CG . 25347 1 1268 . 1 1 104 104 MET CE C 13 16.682 0.30 . 1 . . . A 1584 MET CE . 25347 1 1269 . 1 1 104 104 MET N N 15 113.930 0.30 . 1 . . . A 1584 MET N . 25347 1 1270 . 1 1 105 105 ALA H H 1 8.221 0.03 . 1 . . . A 1585 ALA H . 25347 1 1271 . 1 1 105 105 ALA HA H 1 4.618 0.03 . 1 . . . A 1585 ALA HA . 25347 1 1272 . 1 1 105 105 ALA HB1 H 1 1.982 0.03 . 1 . . . A 1585 ALA HB1 . 25347 1 1273 . 1 1 105 105 ALA HB2 H 1 1.982 0.03 . 1 . . . A 1585 ALA HB2 . 25347 1 1274 . 1 1 105 105 ALA HB3 H 1 1.982 0.03 . 1 . . . A 1585 ALA HB3 . 25347 1 1275 . 1 1 105 105 ALA C C 13 174.438 0.30 . 1 . . . A 1585 ALA C . 25347 1 1276 . 1 1 105 105 ALA CA C 13 51.896 0.30 . 1 . . . A 1585 ALA CA . 25347 1 1277 . 1 1 105 105 ALA CB C 13 20.018 0.30 . 1 . . . A 1585 ALA CB . 25347 1 1278 . 1 1 105 105 ALA N N 15 122.130 0.30 . 1 . . . A 1585 ALA N . 25347 1 1279 . 1 1 106 106 VAL H H 1 7.491 0.03 . 1 . . . A 1586 VAL H . 25347 1 1280 . 1 1 106 106 VAL HA H 1 4.417 0.03 . 1 . . . A 1586 VAL HA . 25347 1 1281 . 1 1 106 106 VAL HB H 1 1.986 0.03 . 1 . . . A 1586 VAL HB . 25347 1 1282 . 1 1 106 106 VAL HG11 H 1 0.727 0.03 . 2 . . . A 1586 VAL HG11 . 25347 1 1283 . 1 1 106 106 VAL HG12 H 1 0.727 0.03 . 2 . . . A 1586 VAL HG12 . 25347 1 1284 . 1 1 106 106 VAL HG13 H 1 0.727 0.03 . 2 . . . A 1586 VAL HG13 . 25347 1 1285 . 1 1 106 106 VAL HG21 H 1 0.247 0.03 . 2 . . . A 1586 VAL HG21 . 25347 1 1286 . 1 1 106 106 VAL HG22 H 1 0.247 0.03 . 2 . . . A 1586 VAL HG22 . 25347 1 1287 . 1 1 106 106 VAL HG23 H 1 0.247 0.03 . 2 . . . A 1586 VAL HG23 . 25347 1 1288 . 1 1 106 106 VAL C C 13 174.849 0.30 . 1 . . . A 1586 VAL C . 25347 1 1289 . 1 1 106 106 VAL CA C 13 62.730 0.30 . 1 . . . A 1586 VAL CA . 25347 1 1290 . 1 1 106 106 VAL CB C 13 32.060 0.30 . 1 . . . A 1586 VAL CB . 25347 1 1291 . 1 1 106 106 VAL CG1 C 13 22.556 0.30 . 1 . . . A 1586 VAL CG1 . 25347 1 1292 . 1 1 106 106 VAL CG2 C 13 21.170 0.30 . 1 . . . A 1586 VAL CG2 . 25347 1 1293 . 1 1 106 106 VAL N N 15 118.968 0.30 . 1 . . . A 1586 VAL N . 25347 1 1294 . 1 1 107 107 ILE H H 1 9.046 0.03 . 1 . . . A 1587 ILE H . 25347 1 1295 . 1 1 107 107 ILE HA H 1 4.866 0.03 . 1 . . . A 1587 ILE HA . 25347 1 1296 . 1 1 107 107 ILE HB H 1 1.741 0.03 . 1 . . . A 1587 ILE HB . 25347 1 1297 . 1 1 107 107 ILE HG12 H 1 0.847 0.03 . 1 . . . A 1587 ILE HG12 . 25347 1 1298 . 1 1 107 107 ILE HG13 H 1 0.690 0.03 . 1 . . . A 1587 ILE HG13 . 25347 1 1299 . 1 1 107 107 ILE HG21 H 1 0.666 0.03 . 1 . . . A 1587 ILE HG21 . 25347 1 1300 . 1 1 107 107 ILE HG22 H 1 0.666 0.03 . 1 . . . A 1587 ILE HG22 . 25347 1 1301 . 1 1 107 107 ILE HG23 H 1 0.666 0.03 . 1 . . . A 1587 ILE HG23 . 25347 1 1302 . 1 1 107 107 ILE HD11 H 1 0.064 0.03 . 1 . . . A 1587 ILE HD11 . 25347 1 1303 . 1 1 107 107 ILE HD12 H 1 0.064 0.03 . 1 . . . A 1587 ILE HD12 . 25347 1 1304 . 1 1 107 107 ILE HD13 H 1 0.064 0.03 . 1 . . . A 1587 ILE HD13 . 25347 1 1305 . 1 1 107 107 ILE C C 13 176.392 0.30 . 1 . . . A 1587 ILE C . 25347 1 1306 . 1 1 107 107 ILE CA C 13 58.590 0.30 . 1 . . . A 1587 ILE CA . 25347 1 1307 . 1 1 107 107 ILE CB C 13 41.760 0.30 . 1 . . . A 1587 ILE CB . 25347 1 1308 . 1 1 107 107 ILE CG1 C 13 25.166 0.30 . 1 . . . A 1587 ILE CG1 . 25347 1 1309 . 1 1 107 107 ILE CG2 C 13 18.384 0.30 . 1 . . . A 1587 ILE CG2 . 25347 1 1310 . 1 1 107 107 ILE CD1 C 13 14.697 0.30 . 1 . . . A 1587 ILE CD1 . 25347 1 1311 . 1 1 107 107 ILE N N 15 124.539 0.30 . 1 . . . A 1587 ILE N . 25347 1 1312 . 1 1 108 108 LEU H H 1 8.294 0.03 . 1 . . . A 1588 LEU H . 25347 1 1313 . 1 1 108 108 LEU HA H 1 5.385 0.03 . 1 . . . A 1588 LEU HA . 25347 1 1314 . 1 1 108 108 LEU HB2 H 1 1.523 0.03 . 2 . . . A 1588 LEU HB2 . 25347 1 1315 . 1 1 108 108 LEU HB3 H 1 1.338 0.03 . 2 . . . A 1588 LEU HB3 . 25347 1 1316 . 1 1 108 108 LEU HG H 1 1.458 0.03 . 1 . . . A 1588 LEU HG . 25347 1 1317 . 1 1 108 108 LEU HD11 H 1 0.711 0.03 . 2 . . . A 1588 LEU HD11 . 25347 1 1318 . 1 1 108 108 LEU HD12 H 1 0.711 0.03 . 2 . . . A 1588 LEU HD12 . 25347 1 1319 . 1 1 108 108 LEU HD13 H 1 0.711 0.03 . 2 . . . A 1588 LEU HD13 . 25347 1 1320 . 1 1 108 108 LEU HD21 H 1 0.494 0.03 . 2 . . . A 1588 LEU HD21 . 25347 1 1321 . 1 1 108 108 LEU HD22 H 1 0.494 0.03 . 2 . . . A 1588 LEU HD22 . 25347 1 1322 . 1 1 108 108 LEU HD23 H 1 0.494 0.03 . 2 . . . A 1588 LEU HD23 . 25347 1 1323 . 1 1 108 108 LEU C C 13 176.591 0.30 . 1 . . . A 1588 LEU C . 25347 1 1324 . 1 1 108 108 LEU CA C 13 52.972 0.30 . 1 . . . A 1588 LEU CA . 25347 1 1325 . 1 1 108 108 LEU CB C 13 44.258 0.30 . 1 . . . A 1588 LEU CB . 25347 1 1326 . 1 1 108 108 LEU CG C 13 27.206 0.30 . 1 . . . A 1588 LEU CG . 25347 1 1327 . 1 1 108 108 LEU CD1 C 13 26.221 0.30 . 1 . . . A 1588 LEU CD1 . 25347 1 1328 . 1 1 108 108 LEU CD2 C 13 27.206 0.30 . 1 . . . A 1588 LEU CD2 . 25347 1 1329 . 1 1 108 108 LEU N N 15 116.575 0.30 . 1 . . . A 1588 LEU N . 25347 1 1330 . 1 1 109 109 SER H H 1 8.960 0.03 . 1 . . . A 1589 SER H . 25347 1 1331 . 1 1 109 109 SER HA H 1 3.714 0.03 . 1 . . . A 1589 SER HA . 25347 1 1332 . 1 1 109 109 SER HB2 H 1 4.055 0.03 . 2 . . . A 1589 SER HB2 . 25347 1 1333 . 1 1 109 109 SER HB3 H 1 4.055 0.03 . 2 . . . A 1589 SER HB3 . 25347 1 1334 . 1 1 109 109 SER C C 13 175.302 0.30 . 1 . . . A 1589 SER C . 25347 1 1335 . 1 1 109 109 SER CA C 13 57.080 0.30 . 1 . . . A 1589 SER CA . 25347 1 1336 . 1 1 109 109 SER CB C 13 64.800 0.30 . 1 . . . A 1589 SER CB . 25347 1 1337 . 1 1 109 109 SER N N 15 118.805 0.30 . 1 . . . A 1589 SER N . 25347 1 1338 . 1 1 110 110 LEU H H 1 8.087 0.03 . 1 . . . A 1590 LEU H . 25347 1 1339 . 1 1 110 110 LEU HA H 1 4.249 0.03 . 1 . . . A 1590 LEU HA . 25347 1 1340 . 1 1 110 110 LEU HB2 H 1 1.755 0.03 . 2 . . . A 1590 LEU HB2 . 25347 1 1341 . 1 1 110 110 LEU HB3 H 1 1.755 0.03 . 2 . . . A 1590 LEU HB3 . 25347 1 1342 . 1 1 110 110 LEU HG H 1 1.623 0.03 . 1 . . . A 1590 LEU HG . 25347 1 1343 . 1 1 110 110 LEU HD11 H 1 1.023 0.03 . 2 . . . A 1590 LEU HD11 . 25347 1 1344 . 1 1 110 110 LEU HD12 H 1 1.023 0.03 . 2 . . . A 1590 LEU HD12 . 25347 1 1345 . 1 1 110 110 LEU HD13 H 1 1.023 0.03 . 2 . . . A 1590 LEU HD13 . 25347 1 1346 . 1 1 110 110 LEU HD21 H 1 0.919 0.03 . 2 . . . A 1590 LEU HD21 . 25347 1 1347 . 1 1 110 110 LEU HD22 H 1 0.919 0.03 . 2 . . . A 1590 LEU HD22 . 25347 1 1348 . 1 1 110 110 LEU HD23 H 1 0.919 0.03 . 2 . . . A 1590 LEU HD23 . 25347 1 1349 . 1 1 110 110 LEU C C 13 179.026 0.30 . 1 . . . A 1590 LEU C . 25347 1 1350 . 1 1 110 110 LEU CA C 13 59.336 0.30 . 1 . . . A 1590 LEU CA . 25347 1 1351 . 1 1 110 110 LEU CB C 13 41.648 0.30 . 1 . . . A 1590 LEU CB . 25347 1 1352 . 1 1 110 110 LEU CG C 13 26.783 0.30 . 1 . . . A 1590 LEU CG . 25347 1 1353 . 1 1 110 110 LEU CD1 C 13 24.250 0.30 . 1 . . . A 1590 LEU CD1 . 25347 1 1354 . 1 1 110 110 LEU CD2 C 13 25.450 0.30 . 1 . . . A 1590 LEU CD2 . 25347 1 1355 . 1 1 110 110 LEU N N 15 122.463 0.30 . 1 . . . A 1590 LEU N . 25347 1 1356 . 1 1 111 111 GLU H H 1 8.412 0.03 . 1 . . . A 1591 GLU H . 25347 1 1357 . 1 1 111 111 GLU HA H 1 4.025 0.03 . 1 . . . A 1591 GLU HA . 25347 1 1358 . 1 1 111 111 GLU HB2 H 1 1.890 0.03 . 2 . . . A 1591 GLU HB2 . 25347 1 1359 . 1 1 111 111 GLU HB3 H 1 1.997 0.03 . 2 . . . A 1591 GLU HB3 . 25347 1 1360 . 1 1 111 111 GLU HG2 H 1 2.407 0.03 . 2 . . . A 1591 GLU HG2 . 25347 1 1361 . 1 1 111 111 GLU HG3 H 1 2.407 0.03 . 2 . . . A 1591 GLU HG3 . 25347 1 1362 . 1 1 111 111 GLU C C 13 179.692 0.30 . 1 . . . A 1591 GLU C . 25347 1 1363 . 1 1 111 111 GLU CA C 13 59.604 0.30 . 1 . . . A 1591 GLU CA . 25347 1 1364 . 1 1 111 111 GLU CB C 13 29.562 0.30 . 1 . . . A 1591 GLU CB . 25347 1 1365 . 1 1 111 111 GLU CG C 13 36.660 0.30 . 1 . . . A 1591 GLU CG . 25347 1 1366 . 1 1 111 111 GLU N N 15 116.314 0.30 . 1 . . . A 1591 GLU N . 25347 1 1367 . 1 1 112 112 GLN H H 1 7.570 0.03 . 1 . . . A 1592 GLN H . 25347 1 1368 . 1 1 112 112 GLN HA H 1 3.976 0.03 . 1 . . . A 1592 GLN HA . 25347 1 1369 . 1 1 112 112 GLN HB2 H 1 1.890 0.03 . 2 . . . A 1592 GLN HB2 . 25347 1 1370 . 1 1 112 112 GLN HB3 H 1 1.724 0.03 . 2 . . . A 1592 GLN HB3 . 25347 1 1371 . 1 1 112 112 GLN HG2 H 1 2.402 0.03 . 2 . . . A 1592 GLN HG2 . 25347 1 1372 . 1 1 112 112 GLN HG3 H 1 2.316 0.03 . 2 . . . A 1592 GLN HG3 . 25347 1 1373 . 1 1 112 112 GLN HE21 H 1 5.520 0.03 . 2 . . . A 1592 GLN HE21 . 25347 1 1374 . 1 1 112 112 GLN HE22 H 1 8.427 0.03 . 2 . . . A 1592 GLN HE22 . 25347 1 1375 . 1 1 112 112 GLN C C 13 179.890 0.30 . 1 . . . A 1592 GLN C . 25347 1 1376 . 1 1 112 112 GLN CA C 13 58.145 0.30 . 1 . . . A 1592 GLN CA . 25347 1 1377 . 1 1 112 112 GLN CB C 13 27.991 0.30 . 1 . . . A 1592 GLN CB . 25347 1 1378 . 1 1 112 112 GLN CG C 13 34.102 0.30 . 1 . . . A 1592 GLN CG . 25347 1 1379 . 1 1 112 112 GLN N N 15 118.393 0.30 . 1 . . . A 1592 GLN N . 25347 1 1380 . 1 1 112 112 GLN NE2 N 15 109.379 0.30 . 1 . . . A 1592 GLN NE2 . 25347 1 1381 . 1 1 113 113 GLY H H 1 9.155 0.03 . 1 . . . A 1593 GLY H . 25347 1 1382 . 1 1 113 113 GLY HA2 H 1 2.800 0.03 . 2 . . . A 1593 GLY HA2 . 25347 1 1383 . 1 1 113 113 GLY HA3 H 1 3.258 0.03 . 2 . . . A 1593 GLY HA3 . 25347 1 1384 . 1 1 113 113 GLY C C 13 176.279 0.30 . 1 . . . A 1593 GLY C . 25347 1 1385 . 1 1 113 113 GLY CA C 13 46.408 0.30 . 1 . . . A 1593 GLY CA . 25347 1 1386 . 1 1 113 113 GLY N N 15 107.130 0.30 . 1 . . . A 1593 GLY N . 25347 1 1387 . 1 1 114 114 ASN H H 1 8.576 0.03 . 1 . . . A 1594 ASN H . 25347 1 1388 . 1 1 114 114 ASN HA H 1 4.537 0.03 . 1 . . . A 1594 ASN HA . 25347 1 1389 . 1 1 114 114 ASN HB2 H 1 3.031 0.03 . 2 . . . A 1594 ASN HB2 . 25347 1 1390 . 1 1 114 114 ASN HB3 H 1 2.887 0.03 . 2 . . . A 1594 ASN HB3 . 25347 1 1391 . 1 1 114 114 ASN HD21 H 1 6.786 0.03 . 2 . . . A 1594 ASN HD21 . 25347 1 1392 . 1 1 114 114 ASN HD22 H 1 7.712 0.03 . 2 . . . A 1594 ASN HD22 . 25347 1 1393 . 1 1 114 114 ASN C C 13 178.757 0.30 . 1 . . . A 1594 ASN C . 25347 1 1394 . 1 1 114 114 ASN CA C 13 55.504 0.30 . 1 . . . A 1594 ASN CA . 25347 1 1395 . 1 1 114 114 ASN CB C 13 37.509 0.30 . 1 . . . A 1594 ASN CB . 25347 1 1396 . 1 1 114 114 ASN N N 15 120.667 0.30 . 1 . . . A 1594 ASN N . 25347 1 1397 . 1 1 114 114 ASN ND2 N 15 110.497 0.30 . 1 . . . A 1594 ASN ND2 . 25347 1 1398 . 1 1 115 115 ARG H H 1 7.234 0.03 . 1 . . . A 1595 ARG H . 25347 1 1399 . 1 1 115 115 ARG HA H 1 4.245 0.03 . 1 . . . A 1595 ARG HA . 25347 1 1400 . 1 1 115 115 ARG HB2 H 1 2.011 0.03 . 2 . . . A 1595 ARG HB2 . 25347 1 1401 . 1 1 115 115 ARG HB3 H 1 2.011 0.03 . 2 . . . A 1595 ARG HB3 . 25347 1 1402 . 1 1 115 115 ARG HG2 H 1 1.983 0.03 . 2 . . . A 1595 ARG HG2 . 25347 1 1403 . 1 1 115 115 ARG HG3 H 1 1.778 0.03 . 2 . . . A 1595 ARG HG3 . 25347 1 1404 . 1 1 115 115 ARG HD2 H 1 3.299 0.03 . 2 . . . A 1595 ARG HD2 . 25347 1 1405 . 1 1 115 115 ARG HD3 H 1 3.299 0.03 . 2 . . . A 1595 ARG HD3 . 25347 1 1406 . 1 1 115 115 ARG C C 13 177.129 0.30 . 1 . . . A 1595 ARG C . 25347 1 1407 . 1 1 115 115 ARG CA C 13 58.681 0.30 . 1 . . . A 1595 ARG CA . 25347 1 1408 . 1 1 115 115 ARG CB C 13 30.083 0.30 . 1 . . . A 1595 ARG CB . 25347 1 1409 . 1 1 115 115 ARG CG C 13 27.482 0.30 . 1 . . . A 1595 ARG CG . 25347 1 1410 . 1 1 115 115 ARG CD C 13 43.760 0.30 . 1 . . . A 1595 ARG CD . 25347 1 1411 . 1 1 115 115 ARG N N 15 117.156 0.30 . 1 . . . A 1595 ARG N . 25347 1 1412 . 1 1 116 116 LEU H H 1 7.319 0.03 . 1 . . . A 1596 LEU H . 25347 1 1413 . 1 1 116 116 LEU HA H 1 4.712 0.03 . 1 . . . A 1596 LEU HA . 25347 1 1414 . 1 1 116 116 LEU HB2 H 1 1.752 0.03 . 2 . . . A 1596 LEU HB2 . 25347 1 1415 . 1 1 116 116 LEU HB3 H 1 1.752 0.03 . 2 . . . A 1596 LEU HB3 . 25347 1 1416 . 1 1 116 116 LEU HG H 1 1.780 0.03 . 1 . . . A 1596 LEU HG . 25347 1 1417 . 1 1 116 116 LEU HD11 H 1 0.883 0.03 . 2 . . . A 1596 LEU HD11 . 25347 1 1418 . 1 1 116 116 LEU HD12 H 1 0.883 0.03 . 2 . . . A 1596 LEU HD12 . 25347 1 1419 . 1 1 116 116 LEU HD13 H 1 0.883 0.03 . 2 . . . A 1596 LEU HD13 . 25347 1 1420 . 1 1 116 116 LEU HD21 H 1 0.779 0.03 . 2 . . . A 1596 LEU HD21 . 25347 1 1421 . 1 1 116 116 LEU HD22 H 1 0.779 0.03 . 2 . . . A 1596 LEU HD22 . 25347 1 1422 . 1 1 116 116 LEU HD23 H 1 0.779 0.03 . 2 . . . A 1596 LEU HD23 . 25347 1 1423 . 1 1 116 116 LEU C C 13 177.398 0.30 . 1 . . . A 1596 LEU C . 25347 1 1424 . 1 1 116 116 LEU CA C 13 54.963 0.30 . 1 . . . A 1596 LEU CA . 25347 1 1425 . 1 1 116 116 LEU CB C 13 43.758 0.30 . 1 . . . A 1596 LEU CB . 25347 1 1426 . 1 1 116 116 LEU CG C 13 27.398 0.30 . 1 . . . A 1596 LEU CG . 25347 1 1427 . 1 1 116 116 LEU CD1 C 13 23.105 0.30 . 1 . . . A 1596 LEU CD1 . 25347 1 1428 . 1 1 116 116 LEU CD2 C 13 26.203 0.30 . 1 . . . A 1596 LEU CD2 . 25347 1 1429 . 1 1 116 116 LEU N N 15 117.323 0.30 . 1 . . . A 1596 LEU N . 25347 1 1430 . 1 1 117 117 ARG H H 1 7.317 0.03 . 1 . . . A 1597 ARG H . 25347 1 1431 . 1 1 117 117 ARG HA H 1 3.619 0.03 . 1 . . . A 1597 ARG HA . 25347 1 1432 . 1 1 117 117 ARG HB2 H 1 1.984 0.03 . 2 . . . A 1597 ARG HB2 . 25347 1 1433 . 1 1 117 117 ARG HB3 H 1 1.984 0.03 . 2 . . . A 1597 ARG HB3 . 25347 1 1434 . 1 1 117 117 ARG HG2 H 1 1.729 0.03 . 2 . . . A 1597 ARG HG2 . 25347 1 1435 . 1 1 117 117 ARG HG3 H 1 1.729 0.03 . 2 . . . A 1597 ARG HG3 . 25347 1 1436 . 1 1 117 117 ARG HD2 H 1 3.365 0.03 . 2 . . . A 1597 ARG HD2 . 25347 1 1437 . 1 1 117 117 ARG HD3 H 1 3.365 0.03 . 2 . . . A 1597 ARG HD3 . 25347 1 1438 . 1 1 117 117 ARG C C 13 178.488 0.30 . 1 . . . A 1597 ARG C . 25347 1 1439 . 1 1 117 117 ARG CA C 13 60.335 0.30 . 1 . . . A 1597 ARG CA . 25347 1 1440 . 1 1 117 117 ARG CB C 13 30.649 0.30 . 1 . . . A 1597 ARG CB . 25347 1 1441 . 1 1 117 117 ARG CG C 13 27.772 0.30 . 1 . . . A 1597 ARG CG . 25347 1 1442 . 1 1 117 117 ARG CD C 13 43.665 0.30 . 1 . . . A 1597 ARG CD . 25347 1 1443 . 1 1 117 117 ARG N N 15 120.832 0.30 . 1 . . . A 1597 ARG N . 25347 1 1444 . 1 1 118 118 GLU H H 1 8.817 0.03 . 1 . . . A 1598 GLU H . 25347 1 1445 . 1 1 118 118 GLU HA H 1 3.984 0.03 . 1 . . . A 1598 GLU HA . 25347 1 1446 . 1 1 118 118 GLU HB2 H 1 2.084 0.03 . 2 . . . A 1598 GLU HB2 . 25347 1 1447 . 1 1 118 118 GLU HB3 H 1 2.084 0.03 . 2 . . . A 1598 GLU HB3 . 25347 1 1448 . 1 1 118 118 GLU HG2 H 1 2.332 0.03 . 2 . . . A 1598 GLU HG2 . 25347 1 1449 . 1 1 118 118 GLU HG3 H 1 2.225 0.03 . 2 . . . A 1598 GLU HG3 . 25347 1 1450 . 1 1 118 118 GLU C C 13 177.908 0.30 . 1 . . . A 1598 GLU C . 25347 1 1451 . 1 1 118 118 GLU CA C 13 59.916 0.30 . 1 . . . A 1598 GLU CA . 25347 1 1452 . 1 1 118 118 GLU CB C 13 29.105 0.30 . 1 . . . A 1598 GLU CB . 25347 1 1453 . 1 1 118 118 GLU CG C 13 36.627 0.30 . 1 . . . A 1598 GLU CG . 25347 1 1454 . 1 1 118 118 GLU N N 15 120.137 0.30 . 1 . . . A 1598 GLU N . 25347 1 1455 . 1 1 119 119 GLN H H 1 7.999 0.03 . 1 . . . A 1599 GLN H . 25347 1 1456 . 1 1 119 119 GLN HA H 1 4.111 0.03 . 1 . . . A 1599 GLN HA . 25347 1 1457 . 1 1 119 119 GLN HB2 H 1 1.386 0.03 . 2 . . . A 1599 GLN HB2 . 25347 1 1458 . 1 1 119 119 GLN HB3 H 1 1.753 0.03 . 2 . . . A 1599 GLN HB3 . 25347 1 1459 . 1 1 119 119 GLN HG2 H 1 1.983 0.03 . 2 . . . A 1599 GLN HG2 . 25347 1 1460 . 1 1 119 119 GLN HG3 H 1 1.623 0.03 . 2 . . . A 1599 GLN HG3 . 25347 1 1461 . 1 1 119 119 GLN HE21 H 1 7.390 0.03 . 2 . . . A 1599 GLN HE21 . 25347 1 1462 . 1 1 119 119 GLN HE22 H 1 6.748 0.03 . 2 . . . A 1599 GLN HE22 . 25347 1 1463 . 1 1 119 119 GLN C C 13 177.469 0.30 . 1 . . . A 1599 GLN C . 25347 1 1464 . 1 1 119 119 GLN CA C 13 57.585 0.30 . 1 . . . A 1599 GLN CA . 25347 1 1465 . 1 1 119 119 GLN CB C 13 30.136 0.30 . 1 . . . A 1599 GLN CB . 25347 1 1466 . 1 1 119 119 GLN CG C 13 33.772 0.30 . 1 . . . A 1599 GLN CG . 25347 1 1467 . 1 1 119 119 GLN N N 15 115.471 0.30 . 1 . . . A 1599 GLN N . 25347 1 1468 . 1 1 119 119 GLN NE2 N 15 111.300 0.30 . 1 . . . A 1599 GLN NE2 . 25347 1 1469 . 1 1 120 120 TYR H H 1 8.144 0.03 . 1 . . . A 1600 TYR H . 25347 1 1470 . 1 1 120 120 TYR HA H 1 4.855 0.03 . 1 . . . A 1600 TYR HA . 25347 1 1471 . 1 1 120 120 TYR HB2 H 1 2.600 0.03 . 2 . . . A 1600 TYR HB2 . 25347 1 1472 . 1 1 120 120 TYR HB3 H 1 3.158 0.03 . 2 . . . A 1600 TYR HB3 . 25347 1 1473 . 1 1 120 120 TYR HD1 H 1 7.275 0.03 . 3 . . . A 1600 TYR HD1 . 25347 1 1474 . 1 1 120 120 TYR HD2 H 1 7.275 0.03 . 3 . . . A 1600 TYR HD2 . 25347 1 1475 . 1 1 120 120 TYR HE1 H 1 6.843 0.03 . 3 . . . A 1600 TYR HE1 . 25347 1 1476 . 1 1 120 120 TYR HE2 H 1 6.843 0.03 . 3 . . . A 1600 TYR HE2 . 25347 1 1477 . 1 1 120 120 TYR C C 13 175.883 0.30 . 1 . . . A 1600 TYR C . 25347 1 1478 . 1 1 120 120 TYR CA C 13 58.232 0.30 . 1 . . . A 1600 TYR CA . 25347 1 1479 . 1 1 120 120 TYR CB C 13 39.890 0.30 . 1 . . . A 1600 TYR CB . 25347 1 1480 . 1 1 120 120 TYR CD1 C 13 133.797 0.30 . 3 . . . A 1600 TYR CD1 . 25347 1 1481 . 1 1 120 120 TYR CD2 C 13 133.797 0.30 . 3 . . . A 1600 TYR CD2 . 25347 1 1482 . 1 1 120 120 TYR CE1 C 13 118.000 0.30 . 3 . . . A 1600 TYR CE1 . 25347 1 1483 . 1 1 120 120 TYR CE2 C 13 118.000 0.30 . 3 . . . A 1600 TYR CE2 . 25347 1 1484 . 1 1 120 120 TYR N N 15 112.861 0.30 . 1 . . . A 1600 TYR N . 25347 1 1485 . 1 1 121 121 GLY H H 1 8.537 0.03 . 1 . . . A 1601 GLY H . 25347 1 1486 . 1 1 121 121 GLY HA2 H 1 4.632 0.03 . 2 . . . A 1601 GLY HA2 . 25347 1 1487 . 1 1 121 121 GLY HA3 H 1 3.997 0.03 . 2 . . . A 1601 GLY HA3 . 25347 1 1488 . 1 1 121 121 GLY C C 13 174.594 0.30 . 1 . . . A 1601 GLY C . 25347 1 1489 . 1 1 121 121 GLY CA C 13 45.987 0.30 . 1 . . . A 1601 GLY CA . 25347 1 1490 . 1 1 121 121 GLY N N 15 110.371 0.30 . 1 . . . A 1601 GLY N . 25347 1 1491 . 1 1 122 122 LEU H H 1 8.195 0.03 . 1 . . . A 1602 LEU H . 25347 1 1492 . 1 1 122 122 LEU HA H 1 4.208 0.03 . 1 . . . A 1602 LEU HA . 25347 1 1493 . 1 1 122 122 LEU HB2 H 1 1.764 0.03 . 2 . . . A 1602 LEU HB2 . 25347 1 1494 . 1 1 122 122 LEU HB3 H 1 1.401 0.03 . 2 . . . A 1602 LEU HB3 . 25347 1 1495 . 1 1 122 122 LEU HG H 1 1.203 0.03 . 1 . . . A 1602 LEU HG . 25347 1 1496 . 1 1 122 122 LEU HD11 H 1 0.324 0.03 . 2 . . . A 1602 LEU HD11 . 25347 1 1497 . 1 1 122 122 LEU HD12 H 1 0.324 0.03 . 2 . . . A 1602 LEU HD12 . 25347 1 1498 . 1 1 122 122 LEU HD13 H 1 0.324 0.03 . 2 . . . A 1602 LEU HD13 . 25347 1 1499 . 1 1 122 122 LEU HD21 H 1 0.191 0.03 . 2 . . . A 1602 LEU HD21 . 25347 1 1500 . 1 1 122 122 LEU HD22 H 1 0.191 0.03 . 2 . . . A 1602 LEU HD22 . 25347 1 1501 . 1 1 122 122 LEU HD23 H 1 0.191 0.03 . 2 . . . A 1602 LEU HD23 . 25347 1 1502 . 1 1 122 122 LEU C C 13 176.661 0.30 . 1 . . . A 1602 LEU C . 25347 1 1503 . 1 1 122 122 LEU CA C 13 56.206 0.30 . 1 . . . A 1602 LEU CA . 25347 1 1504 . 1 1 122 122 LEU CB C 13 42.053 0.30 . 1 . . . A 1602 LEU CB . 25347 1 1505 . 1 1 122 122 LEU CG C 13 27.395 0.30 . 1 . . . A 1602 LEU CG . 25347 1 1506 . 1 1 122 122 LEU CD1 C 13 24.185 0.30 . 1 . . . A 1602 LEU CD1 . 25347 1 1507 . 1 1 122 122 LEU CD2 C 13 25.204 0.30 . 1 . . . A 1602 LEU CD2 . 25347 1 1508 . 1 1 122 122 LEU N N 15 124.391 0.30 . 1 . . . A 1602 LEU N . 25347 1 1509 . 1 1 123 123 GLY H H 1 7.441 0.03 . 1 . . . A 1603 GLY H . 25347 1 1510 . 1 1 123 123 GLY HA2 H 1 3.816 0.03 . 2 . . . A 1603 GLY HA2 . 25347 1 1511 . 1 1 123 123 GLY HA3 H 1 3.640 0.03 . 2 . . . A 1603 GLY HA3 . 25347 1 1512 . 1 1 123 123 GLY C C 13 178.267 0.30 . 1 . . . A 1603 GLY C . 25347 1 1513 . 1 1 123 123 GLY CA C 13 46.170 0.30 . 1 . . . A 1603 GLY CA . 25347 1 1514 . 1 1 123 123 GLY N N 15 114.036 0.30 . 1 . . . A 1603 GLY N . 25347 1 1515 . 2 2 1 1 ARG HA H 1 4.169 0.03 . 1 . . . B 363 ARG HA . 25347 1 1516 . 2 2 1 1 ARG HB2 H 1 1.684 0.03 . 2 . . . B 363 ARG HB2 . 25347 1 1517 . 2 2 1 1 ARG HB3 H 1 1.612 0.03 . 2 . . . B 363 ARG HB3 . 25347 1 1518 . 2 2 1 1 ARG HG2 H 1 1.477 0.03 . 2 . . . B 363 ARG HG2 . 25347 1 1519 . 2 2 1 1 ARG HG3 H 1 1.477 0.03 . 2 . . . B 363 ARG HG3 . 25347 1 1520 . 2 2 1 1 ARG HD2 H 1 3.045 0.03 . 2 . . . B 363 ARG HD2 . 25347 1 1521 . 2 2 1 1 ARG HD3 H 1 3.045 0.03 . 2 . . . B 363 ARG HD3 . 25347 1 1522 . 2 2 1 1 ARG CA C 13 53.285 0.30 . 1 . . . B 363 ARG CA . 25347 1 1523 . 2 2 1 1 ARG CB C 13 27.985 0.30 . 1 . . . B 363 ARG CB . 25347 1 1524 . 2 2 1 1 ARG CG C 13 24.300 0.30 . 1 . . . B 363 ARG CG . 25347 1 1525 . 2 2 1 1 ARG CD C 13 40.501 0.30 . 1 . . . B 363 ARG CD . 25347 1 1526 . 2 2 2 2 ALA HA H 1 4.155 0.03 . 1 . . . B 364 ALA HA . 25347 1 1527 . 2 2 2 2 ALA HB1 H 1 1.216 0.03 . 1 . . . B 364 ALA HB1 . 25347 1 1528 . 2 2 2 2 ALA HB2 H 1 1.216 0.03 . 1 . . . B 364 ALA HB2 . 25347 1 1529 . 2 2 2 2 ALA HB3 H 1 1.216 0.03 . 1 . . . B 364 ALA HB3 . 25347 1 1530 . 2 2 2 2 ALA CA C 13 49.679 0.30 . 1 . . . B 364 ALA CA . 25347 1 1531 . 2 2 2 2 ALA CB C 13 16.437 0.30 . 1 . . . B 364 ALA CB . 25347 1 1532 . 2 2 3 3 HIS HA H 1 4.475 0.03 . 1 . . . B 365 HIS HA . 25347 1 1533 . 2 2 3 3 HIS HB2 H 1 2.945 0.03 . 2 . . . B 365 HIS HB2 . 25347 1 1534 . 2 2 3 3 HIS HB3 H 1 2.945 0.03 . 2 . . . B 365 HIS HB3 . 25347 1 1535 . 2 2 3 3 HIS HD2 H 1 7.051 0.03 . 1 . . . B 365 HIS HD2 . 25347 1 1536 . 2 2 3 3 HIS HE1 H 1 7.810 0.03 . 1 . . . B 365 HIS HE1 . 25347 1 1537 . 2 2 3 3 HIS CA C 13 53.960 0.30 . 1 . . . B 365 HIS CA . 25347 1 1538 . 2 2 3 3 HIS CB C 13 28.420 0.30 . 1 . . . B 365 HIS CB . 25347 1 1539 . 2 2 3 3 HIS CD2 C 13 119.965 0.30 . 1 . . . B 365 HIS CD2 . 25347 1 1540 . 2 2 3 3 HIS CE1 C 13 138.690 0.30 . 1 . . . B 365 HIS CE1 . 25347 1 1541 . 2 2 4 4 SER HA H 1 4.322 0.03 . 1 . . . B 366 SER HA . 25347 1 1542 . 2 2 4 4 SER HB2 H 1 3.739 0.03 . 2 . . . B 366 SER HB2 . 25347 1 1543 . 2 2 4 4 SER HB3 H 1 3.739 0.03 . 2 . . . B 366 SER HB3 . 25347 1 1544 . 2 2 4 4 SER CA C 13 55.729 0.30 . 1 . . . B 366 SER CA . 25347 1 1545 . 2 2 4 4 SER CB C 13 61.007 0.30 . 1 . . . B 366 SER CB . 25347 1 1546 . 2 2 5 5 SER HA H 1 4.322 0.03 . 1 . . . B 367 SER HA . 25347 1 1547 . 2 2 5 5 SER HB2 H 1 3.739 0.03 . 2 . . . B 367 SER HB2 . 25347 1 1548 . 2 2 5 5 SER HB3 H 1 3.739 0.03 . 2 . . . B 367 SER HB3 . 25347 1 1549 . 2 2 5 5 SER CA C 13 55.686 0.30 . 1 . . . B 367 SER CA . 25347 1 1550 . 2 2 5 5 SER CB C 13 61.010 0.30 . 1 . . . B 367 SER CB . 25347 1 1551 . 2 2 6 6 HIS HA H 1 4.511 0.03 . 1 . . . B 368 HIS HA . 25347 1 1552 . 2 2 6 6 HIS HB2 H 1 2.951 0.03 . 2 . . . B 368 HIS HB2 . 25347 1 1553 . 2 2 6 6 HIS HB3 H 1 2.951 0.03 . 2 . . . B 368 HIS HB3 . 25347 1 1554 . 2 2 6 6 HIS HD2 H 1 6.935 0.03 . 1 . . . B 368 HIS HD2 . 25347 1 1555 . 2 2 6 6 HIS HE1 H 1 7.692 0.03 . 1 . . . B 368 HIS HE1 . 25347 1 1556 . 2 2 6 6 HIS CA C 13 53.846 0.30 . 1 . . . B 368 HIS CA . 25347 1 1557 . 2 2 6 6 HIS CB C 13 28.438 0.30 . 1 . . . B 368 HIS CB . 25347 1 1558 . 2 2 6 6 HIS CD2 C 13 119.456 0.30 . 1 . . . B 368 HIS CD2 . 25347 1 1559 . 2 2 6 6 HIS CE1 C 13 138.690 0.30 . 1 . . . B 368 HIS CE1 . 25347 1 1560 . 2 2 7 7 LEU HA H 1 4.194 0.03 . 1 . . . B 369 LEU HA . 25347 1 1561 . 2 2 7 7 LEU HB2 H 1 1.506 0.03 . 2 . . . B 369 LEU HB2 . 25347 1 1562 . 2 2 7 7 LEU HB3 H 1 1.428 0.03 . 2 . . . B 369 LEU HB3 . 25347 1 1563 . 2 2 7 7 LEU HG H 1 1.271 0.03 . 1 . . . B 369 LEU HG . 25347 1 1564 . 2 2 7 7 LEU HD11 H 1 0.769 0.03 . 1 . . . B 369 LEU HD11 . 25347 1 1565 . 2 2 7 7 LEU HD12 H 1 0.769 0.03 . 1 . . . B 369 LEU HD12 . 25347 1 1566 . 2 2 7 7 LEU HD13 H 1 0.769 0.03 . 1 . . . B 369 LEU HD13 . 25347 1 1567 . 2 2 7 7 LEU HD21 H 1 0.698 0.03 . 1 . . . B 369 LEU HD21 . 25347 1 1568 . 2 2 7 7 LEU HD22 H 1 0.698 0.03 . 1 . . . B 369 LEU HD22 . 25347 1 1569 . 2 2 7 7 LEU HD23 H 1 0.698 0.03 . 1 . . . B 369 LEU HD23 . 25347 1 1570 . 2 2 7 7 LEU CA C 13 52.550 0.30 . 1 . . . B 369 LEU CA . 25347 1 1571 . 2 2 7 7 LEU CB C 13 39.506 0.30 . 1 . . . B 369 LEU CB . 25347 1 1572 . 2 2 7 7 LEU CG C 13 23.952 0.30 . 1 . . . B 369 LEU CG . 25347 1 1573 . 2 2 7 7 LEU CD1 C 13 22.151 0.30 . 1 . . . B 369 LEU CD1 . 25347 1 1574 . 2 2 7 7 LEU CD2 C 13 20.416 0.30 . 1 . . . B 369 LEU CD2 . 25347 1 1575 . 2 2 8 8 MLY CA C 13 52.972 0.30 . 1 . . . B 370 MLY CA . 25347 1 1576 . 2 2 8 8 MLY CB C 13 32.301 0.30 . 1 . . . B 370 MLY CB . 25347 1 1577 . 2 2 8 8 MLY C C 13 45.287 0.30 . 1 . . . B 370 MLY CH . 25347 1 1578 . 2 2 8 8 MLY HA H 1 4.384 0.03 . 1 . . . B 370 MLY HA . 25347 1 1579 . 2 2 8 8 MLY HB2 H 1 2.864 0.03 . 2 . . . B 370 MLY HB2 . 25347 1 1580 . 2 2 8 8 MLY HB3 H 1 2.717 0.03 . 2 . . . B 370 MLY HB3 . 25347 1 1581 . 2 2 8 8 MLY H H 1 2.807 0.03 . 1 . . . B 370 MLY HH . 25347 1 1582 . 2 2 9 9 SER HA H 1 4.307 0.03 . 1 . . . B 371 SER HA . 25347 1 1583 . 2 2 9 9 SER HB2 H 1 3.684 0.03 . 2 . . . B 371 SER HB2 . 25347 1 1584 . 2 2 9 9 SER HB3 H 1 3.738 0.03 . 2 . . . B 371 SER HB3 . 25347 1 1585 . 2 2 9 9 SER CA C 13 56.254 0.30 . 1 . . . B 371 SER CA . 25347 1 1586 . 2 2 9 9 SER CB C 13 60.982 0.30 . 1 . . . B 371 SER CB . 25347 1 1587 . 2 2 10 10 LYS HA H 1 4.231 0.03 . 1 . . . B 372 LYS HA . 25347 1 1588 . 2 2 10 10 LYS HB2 H 1 1.723 0.03 . 2 . . . B 372 LYS HB2 . 25347 1 1589 . 2 2 10 10 LYS HB3 H 1 1.630 0.03 . 2 . . . B 372 LYS HB3 . 25347 1 1590 . 2 2 10 10 LYS HG2 H 1 1.316 0.03 . 2 . . . B 372 LYS HG2 . 25347 1 1591 . 2 2 10 10 LYS HG3 H 1 1.316 0.03 . 2 . . . B 372 LYS HG3 . 25347 1 1592 . 2 2 10 10 LYS HD2 H 1 1.541 0.03 . 2 . . . B 372 LYS HD2 . 25347 1 1593 . 2 2 10 10 LYS HD3 H 1 1.541 0.03 . 2 . . . B 372 LYS HD3 . 25347 1 1594 . 2 2 10 10 LYS HE2 H 1 2.849 0.03 . 2 . . . B 372 LYS HE2 . 25347 1 1595 . 2 2 10 10 LYS HE3 H 1 2.849 0.03 . 2 . . . B 372 LYS HE3 . 25347 1 1596 . 2 2 10 10 LYS CA C 13 53.621 0.30 . 1 . . . B 372 LYS CA . 25347 1 1597 . 2 2 10 10 LYS CB C 13 30.174 0.30 . 1 . . . B 372 LYS CB . 25347 1 1598 . 2 2 10 10 LYS CG C 13 21.968 0.30 . 1 . . . B 372 LYS CG . 25347 1 1599 . 2 2 10 10 LYS CD C 13 26.319 0.30 . 1 . . . B 372 LYS CD . 25347 1 1600 . 2 2 10 10 LYS CE C 13 39.276 0.30 . 1 . . . B 372 LYS CE . 25347 1 1601 . 2 2 11 11 LYS HA H 1 4.165 0.03 . 1 . . . B 373 LYS HA . 25347 1 1602 . 2 2 11 11 LYS HB2 H 1 1.723 0.03 . 2 . . . B 373 LYS HB2 . 25347 1 1603 . 2 2 11 11 LYS HB3 H 1 1.629 0.03 . 2 . . . B 373 LYS HB3 . 25347 1 1604 . 2 2 11 11 LYS HG2 H 1 1.316 0.03 . 2 . . . B 373 LYS HG2 . 25347 1 1605 . 2 2 11 11 LYS HG3 H 1 1.316 0.03 . 2 . . . B 373 LYS HG3 . 25347 1 1606 . 2 2 11 11 LYS HD2 H 1 1.541 0.03 . 2 . . . B 373 LYS HD2 . 25347 1 1607 . 2 2 11 11 LYS HD3 H 1 1.541 0.03 . 2 . . . B 373 LYS HD3 . 25347 1 1608 . 2 2 11 11 LYS HE2 H 1 2.849 0.03 . 2 . . . B 373 LYS HE2 . 25347 1 1609 . 2 2 11 11 LYS HE3 H 1 2.849 0.03 . 2 . . . B 373 LYS HE3 . 25347 1 1610 . 2 2 11 11 LYS CA C 13 53.975 0.30 . 1 . . . B 373 LYS CA . 25347 1 1611 . 2 2 11 11 LYS CB C 13 30.180 0.30 . 1 . . . B 373 LYS CB . 25347 1 1612 . 2 2 11 11 LYS CG C 13 21.968 0.30 . 1 . . . B 373 LYS CG . 25347 1 1613 . 2 2 11 11 LYS CD C 13 26.319 0.30 . 1 . . . B 373 LYS CD . 25347 1 1614 . 2 2 11 11 LYS CE C 13 39.276 0.30 . 1 . . . B 373 LYS CE . 25347 1 1615 . 2 2 12 12 GLY HA2 H 1 3.806 0.03 . 2 . . . B 374 GLY HA2 . 25347 1 1616 . 2 2 12 12 GLY HA3 H 1 3.806 0.03 . 2 . . . B 374 GLY HA3 . 25347 1 1617 . 2 2 12 12 GLY CA C 13 42.495 0.30 . 1 . . . B 374 GLY CA . 25347 1 1618 . 2 2 13 13 GLN HA H 1 4.312 0.03 . 1 . . . B 375 GLN HA . 25347 1 1619 . 2 2 13 13 GLN HB2 H 1 2.037 0.03 . 2 . . . B 375 GLN HB2 . 25347 1 1620 . 2 2 13 13 GLN HB3 H 1 1.885 0.03 . 2 . . . B 375 GLN HB3 . 25347 1 1621 . 2 2 13 13 GLN HG2 H 1 2.238 0.03 . 2 . . . B 375 GLN HG2 . 25347 1 1622 . 2 2 13 13 GLN HG3 H 1 2.238 0.03 . 2 . . . B 375 GLN HG3 . 25347 1 1623 . 2 2 13 13 GLN HE21 H 1 6.738 0.03 . 2 . . . B 375 GLN HE21 . 25347 1 1624 . 2 2 13 13 GLN HE22 H 1 7.464 0.03 . 2 . . . B 375 GLN HE22 . 25347 1 1625 . 2 2 13 13 GLN CA C 13 52.912 0.30 . 1 . . . B 375 GLN CA . 25347 1 1626 . 2 2 13 13 GLN CB C 13 27.044 0.30 . 1 . . . B 375 GLN CB . 25347 1 1627 . 2 2 13 13 GLN CG C 13 31.069 0.30 . 1 . . . B 375 GLN CG . 25347 1 1628 . 2 2 13 13 GLN NE2 N 15 112.329 0.30 . 1 . . . B 375 GLN NE2 . 25347 1 1629 . 2 2 14 14 SER HA H 1 4.439 0.03 . 1 . . . B 376 SER HA . 25347 1 1630 . 2 2 14 14 SER HB2 H 1 3.786 0.03 . 2 . . . B 376 SER HB2 . 25347 1 1631 . 2 2 14 14 SER HB3 H 1 3.786 0.03 . 2 . . . B 376 SER HB3 . 25347 1 1632 . 2 2 14 14 SER CA C 13 55.778 0.30 . 1 . . . B 376 SER CA . 25347 1 1633 . 2 2 14 14 SER CB C 13 61.138 0.30 . 1 . . . B 376 SER CB . 25347 1 1634 . 2 2 15 15 THR HA H 1 4.048 0.03 . 1 . . . B 377 THR HA . 25347 1 1635 . 2 2 15 15 THR HB H 1 4.136 0.03 . 1 . . . B 377 THR HB . 25347 1 1636 . 2 2 15 15 THR HG21 H 1 1.044 0.03 . 1 . . . B 377 THR HG21 . 25347 1 1637 . 2 2 15 15 THR HG22 H 1 1.044 0.03 . 1 . . . B 377 THR HG22 . 25347 1 1638 . 2 2 15 15 THR HG23 H 1 1.044 0.03 . 1 . . . B 377 THR HG23 . 25347 1 1639 . 2 2 15 15 THR CA C 13 60.546 0.30 . 1 . . . B 377 THR CA . 25347 1 1640 . 2 2 15 15 THR CB C 13 67.934 0.30 . 1 . . . B 377 THR CB . 25347 1 1641 . 2 2 15 15 THR CG2 C 13 19.259 0.30 . 1 . . . B 377 THR CG2 . 25347 1 stop_ save_