data_34428 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34428 _Entry.Title ; Mouse RBM20 RRM domain in complex with AUCUUA RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-08-29 _Entry.Accession_date 2019-08-29 _Entry.Last_release_date 2019-10-25 _Entry.Original_release_date 2019-10-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34428 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 C. Mackereth C. D. . . 34428 2 S. Upadhyay S. K. . . 34428 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Alternative splicing' . 34428 'RNA BINDING PROTEIN' . 34428 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34428 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 501 34428 '15N chemical shifts' 123 34428 '1H chemical shifts' 854 34428 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 . . 2020-08-16 2019-08-29 update BMRB 'update entry citation' 34428 1 . . 2019-11-01 2019-08-29 original author 'original release' 34428 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34429 'Mouse RBM20 RRM domain' 34428 PDB 6SO9 . 34428 PDB 6SOE 'Mouse RBM20 RRM domain' 34428 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34428 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32187365 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of UCUU RNA motif recognition by splicing factor RBM20 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 48 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4538 _Citation.Page_last 4550 _Citation.Year 2020 _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 'Santosh Kumar' Upadhyay S. K. . . 34428 1 2 Cameron Mackereth C. D. . . 34428 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34428 _Assembly.ID 1 _Assembly.Name 'RNA-binding protein 20/RNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 B yes . . . . . . 34428 1 2 entity_2 2 $entity_2 B A yes . . . . . . 34428 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34428 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XUCUUA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1757.153 _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 . ADN . 34428 1 2 . U . 34428 1 3 . C . 34428 1 4 . U . 34428 1 5 . U . 34428 1 6 . A . 34428 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 . ADN 1 1 34428 1 . U 2 2 34428 1 . C 3 3 34428 1 . U 4 4 34428 1 . U 5 5 34428 1 . A 6 6 34428 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34428 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMAQRKGAGRVVHICNLPE GSCTENDVINLGLPFGKVTN YILMKSTNQAFLEMAYTEAA QAMVQYYQEKPAIINGEKLL IRMSTRYKELQLKKPGKNVA AIIQDIHSQRER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12571.588 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RNA-binding motif protein 20' common 34428 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 510 GLY . 34428 2 2 511 ALA . 34428 2 3 512 MET . 34428 2 4 513 ALA . 34428 2 5 514 GLN . 34428 2 6 515 ARG . 34428 2 7 516 LYS . 34428 2 8 517 GLY . 34428 2 9 518 ALA . 34428 2 10 519 GLY . 34428 2 11 520 ARG . 34428 2 12 521 VAL . 34428 2 13 522 VAL . 34428 2 14 523 HIS . 34428 2 15 524 ILE . 34428 2 16 525 CYS . 34428 2 17 526 ASN . 34428 2 18 527 LEU . 34428 2 19 528 PRO . 34428 2 20 529 GLU . 34428 2 21 530 GLY . 34428 2 22 531 SER . 34428 2 23 532 CYS . 34428 2 24 533 THR . 34428 2 25 534 GLU . 34428 2 26 535 ASN . 34428 2 27 536 ASP . 34428 2 28 537 VAL . 34428 2 29 538 ILE . 34428 2 30 539 ASN . 34428 2 31 540 LEU . 34428 2 32 541 GLY . 34428 2 33 542 LEU . 34428 2 34 543 PRO . 34428 2 35 544 PHE . 34428 2 36 545 GLY . 34428 2 37 546 LYS . 34428 2 38 547 VAL . 34428 2 39 548 THR . 34428 2 40 549 ASN . 34428 2 41 550 TYR . 34428 2 42 551 ILE . 34428 2 43 552 LEU . 34428 2 44 553 MET . 34428 2 45 554 LYS . 34428 2 46 555 SER . 34428 2 47 556 THR . 34428 2 48 557 ASN . 34428 2 49 558 GLN . 34428 2 50 559 ALA . 34428 2 51 560 PHE . 34428 2 52 561 LEU . 34428 2 53 562 GLU . 34428 2 54 563 MET . 34428 2 55 564 ALA . 34428 2 56 565 TYR . 34428 2 57 566 THR . 34428 2 58 567 GLU . 34428 2 59 568 ALA . 34428 2 60 569 ALA . 34428 2 61 570 GLN . 34428 2 62 571 ALA . 34428 2 63 572 MET . 34428 2 64 573 VAL . 34428 2 65 574 GLN . 34428 2 66 575 TYR . 34428 2 67 576 TYR . 34428 2 68 577 GLN . 34428 2 69 578 GLU . 34428 2 70 579 LYS . 34428 2 71 580 PRO . 34428 2 72 581 ALA . 34428 2 73 582 ILE . 34428 2 74 583 ILE . 34428 2 75 584 ASN . 34428 2 76 585 GLY . 34428 2 77 586 GLU . 34428 2 78 587 LYS . 34428 2 79 588 LEU . 34428 2 80 589 LEU . 34428 2 81 590 ILE . 34428 2 82 591 ARG . 34428 2 83 592 MET . 34428 2 84 593 SER . 34428 2 85 594 THR . 34428 2 86 595 ARG . 34428 2 87 596 TYR . 34428 2 88 597 LYS . 34428 2 89 598 GLU . 34428 2 90 599 LEU . 34428 2 91 600 GLN . 34428 2 92 601 LEU . 34428 2 93 602 LYS . 34428 2 94 603 LYS . 34428 2 95 604 PRO . 34428 2 96 605 GLY . 34428 2 97 606 LYS . 34428 2 98 607 ASN . 34428 2 99 608 VAL . 34428 2 100 609 ALA . 34428 2 101 610 ALA . 34428 2 102 611 ILE . 34428 2 103 612 ILE . 34428 2 104 613 GLN . 34428 2 105 614 ASP . 34428 2 106 615 ILE . 34428 2 107 616 HIS . 34428 2 108 617 SER . 34428 2 109 618 GLN . 34428 2 110 619 ARG . 34428 2 111 620 GLU . 34428 2 112 621 ARG . 34428 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34428 2 . ALA 2 2 34428 2 . MET 3 3 34428 2 . ALA 4 4 34428 2 . GLN 5 5 34428 2 . ARG 6 6 34428 2 . LYS 7 7 34428 2 . GLY 8 8 34428 2 . ALA 9 9 34428 2 . GLY 10 10 34428 2 . ARG 11 11 34428 2 . VAL 12 12 34428 2 . VAL 13 13 34428 2 . HIS 14 14 34428 2 . ILE 15 15 34428 2 . CYS 16 16 34428 2 . ASN 17 17 34428 2 . LEU 18 18 34428 2 . PRO 19 19 34428 2 . GLU 20 20 34428 2 . GLY 21 21 34428 2 . SER 22 22 34428 2 . CYS 23 23 34428 2 . THR 24 24 34428 2 . GLU 25 25 34428 2 . ASN 26 26 34428 2 . ASP 27 27 34428 2 . VAL 28 28 34428 2 . ILE 29 29 34428 2 . ASN 30 30 34428 2 . LEU 31 31 34428 2 . GLY 32 32 34428 2 . LEU 33 33 34428 2 . PRO 34 34 34428 2 . PHE 35 35 34428 2 . GLY 36 36 34428 2 . LYS 37 37 34428 2 . VAL 38 38 34428 2 . THR 39 39 34428 2 . ASN 40 40 34428 2 . TYR 41 41 34428 2 . ILE 42 42 34428 2 . LEU 43 43 34428 2 . MET 44 44 34428 2 . LYS 45 45 34428 2 . SER 46 46 34428 2 . THR 47 47 34428 2 . ASN 48 48 34428 2 . GLN 49 49 34428 2 . ALA 50 50 34428 2 . PHE 51 51 34428 2 . LEU 52 52 34428 2 . GLU 53 53 34428 2 . MET 54 54 34428 2 . ALA 55 55 34428 2 . TYR 56 56 34428 2 . THR 57 57 34428 2 . GLU 58 58 34428 2 . ALA 59 59 34428 2 . ALA 60 60 34428 2 . GLN 61 61 34428 2 . ALA 62 62 34428 2 . MET 63 63 34428 2 . VAL 64 64 34428 2 . GLN 65 65 34428 2 . TYR 66 66 34428 2 . TYR 67 67 34428 2 . GLN 68 68 34428 2 . GLU 69 69 34428 2 . LYS 70 70 34428 2 . PRO 71 71 34428 2 . ALA 72 72 34428 2 . ILE 73 73 34428 2 . ILE 74 74 34428 2 . ASN 75 75 34428 2 . GLY 76 76 34428 2 . GLU 77 77 34428 2 . LYS 78 78 34428 2 . LEU 79 79 34428 2 . LEU 80 80 34428 2 . ILE 81 81 34428 2 . ARG 82 82 34428 2 . MET 83 83 34428 2 . SER 84 84 34428 2 . THR 85 85 34428 2 . ARG 86 86 34428 2 . TYR 87 87 34428 2 . LYS 88 88 34428 2 . GLU 89 89 34428 2 . LEU 90 90 34428 2 . GLN 91 91 34428 2 . LEU 92 92 34428 2 . LYS 93 93 34428 2 . LYS 94 94 34428 2 . PRO 95 95 34428 2 . GLY 96 96 34428 2 . LYS 97 97 34428 2 . ASN 98 98 34428 2 . VAL 99 99 34428 2 . ALA 100 100 34428 2 . ALA 101 101 34428 2 . ILE 102 102 34428 2 . ILE 103 103 34428 2 . GLN 104 104 34428 2 . ASP 105 105 34428 2 . ILE 106 106 34428 2 . HIS 107 107 34428 2 . SER 108 108 34428 2 . GLN 109 109 34428 2 . ARG 110 110 34428 2 . GLU 111 111 34428 2 . ARG 112 112 34428 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 34428 _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 . 32630 'no natural source' . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 34428 1 2 2 $entity_2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . Rbm20 . 34428 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 34428 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34428 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli DE3 lysY . . . . pET-His1a . . . 34428 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ADN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ADN _Chem_comp.Entry_ID 34428 _Chem_comp.ID ADN _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ADN _Chem_comp.PDB_code ADN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ADN _Chem_comp.Number_atoms_all 32 _Chem_comp.Number_atoms_nh 19 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/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 . _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 yes _Chem_comp.Formula 'C10 H13 N5 O4' _Chem_comp.Formula_weight 267.241 _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 1BX4 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 ; InChI InChI 1.03 34428 ADN Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 34428 ADN Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O SMILES CACTVS 3.341 34428 ADN OIRDTQYFTABQOQ-KQYNXXCUSA-N InChIKey InChI 1.03 34428 ADN c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 34428 ADN c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34428 ADN n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N SMILES ACDLabs 10.04 34428 ADN 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 (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34428 ADN adenosine 'SYSTEMATIC NAME' ACDLabs 10.04 34428 ADN 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 O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 41.304 . 18.534 . 40.336 . -2.224 0.992 -4.318 1 . 34428 ADN C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 40.267 . 18.968 . 39.461 . -1.228 -0.026 -4.200 2 . 34428 ADN C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 40.492 . 18.124 . 38.214 . -0.217 0.372 -3.123 3 . 34428 ADN O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 40.463 . 16.696 . 38.532 . -0.871 0.501 -1.842 4 . 34428 ADN C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 39.323 . 18.273 . 37.235 . 0.826 -0.748 -2.921 5 . 34428 ADN O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 39.772 . 19.164 . 36.205 . 2.023 -0.455 -3.645 6 . 34428 ADN C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 39.068 . 16.862 . 36.663 . 1.097 -0.740 -1.398 7 . 34428 ADN O2' O2' O2' O2* . O . . N 0 . . . 1 no yes . . . . 38.967 . 16.826 . 35.235 . 2.470 -0.444 -1.136 8 . 34428 ADN C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 40.233 . 16.066 . 37.280 . 0.182 0.382 -0.862 9 . 34428 ADN N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 40.065 . 14.598 . 37.304 . -0.372 0.009 0.440 10 . 34428 ADN C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 39.114 . 13.871 . 38.035 . -1.525 -0.685 0.657 11 . 34428 ADN N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 39.167 . 12.571 . 37.855 . -1.717 -0.841 1.935 12 . 34428 ADN C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 40.222 . 12.408 . 36.942 . -0.699 -0.262 2.617 13 . 34428 ADN C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 40.806 . 11.250 . 36.309 . -0.383 -0.109 3.978 14 . 34428 ADN N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . 40.384 . 10.000 . 36.521 . -1.206 -0.632 4.959 15 . 34428 ADN N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 41.834 . 11.467 . 35.456 . 0.728 0.543 4.300 16 . 34428 ADN C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 42.267 . 12.717 . 35.240 . 1.520 1.045 3.370 17 . 34428 ADN N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 41.808 . 13.867 . 35.762 . 1.261 0.932 2.084 18 . 34428 ADN C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 40.782 . 13.641 . 36.606 . 0.172 0.295 1.667 19 . 34428 ADN HO5' HO5' HO5' *HO5 . H . . N 0 . . . 0 no no . . . . 41.163 . 19.060 . 41.114 . -2.839 0.702 -5.006 20 . 34428 ADN H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 39.239 . 18.900 . 39.888 . -0.714 -0.145 -5.154 21 . 34428 ADN H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 40.242 . 20.067 . 39.279 . -1.702 -0.967 -3.923 22 . 34428 ADN H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 41.468 . 18.464 . 37.797 . 0.276 1.305 -3.393 23 . 34428 ADN H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 38.389 . 18.672 . 37.695 . 0.419 -1.710 -3.233 24 . 34428 ADN HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 39.047 . 19.256 . 35.597 . 1.780 -0.413 -4.580 25 . 34428 ADN H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 38.075 . 16.428 . 36.926 . 0.823 -1.698 -0.956 26 . 34428 ADN HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no yes . . . . 38.810 . 15.957 . 34.883 . 2.992 -1.147 -1.546 27 . 34428 ADN H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 41.145 . 16.108 . 36.639 . 0.735 1.318 -0.784 28 . 34428 ADN H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 38.361 . 14.300 . 38.717 . -2.182 -1.052 -0.116 29 . 34428 ADN HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 no no . . . . 40.796 . 9.181 . 36.073 . -0.975 -0.523 5.895 30 . 34428 ADN HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 no no . . . . 39.384 . 9.981 . 36.320 . -2.017 -1.104 4.712 31 . 34428 ADN H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 43.113 . 12.811 . 34.539 . 2.413 1.569 3.676 32 . 34428 ADN 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 O5' C5' no N 1 . 34428 ADN 2 . SING O5' HO5' no N 2 . 34428 ADN 3 . SING C5' C4' no N 3 . 34428 ADN 4 . SING C5' H5'1 no N 4 . 34428 ADN 5 . SING C5' H5'2 no N 5 . 34428 ADN 6 . SING C4' O4' no N 6 . 34428 ADN 7 . SING C4' C3' no N 7 . 34428 ADN 8 . SING C4' H4' no N 8 . 34428 ADN 9 . SING O4' C1' no N 9 . 34428 ADN 10 . SING C3' O3' no N 10 . 34428 ADN 11 . SING C3' C2' no N 11 . 34428 ADN 12 . SING C3' H3' no N 12 . 34428 ADN 13 . SING O3' HO3' no N 13 . 34428 ADN 14 . SING C2' O2' no N 14 . 34428 ADN 15 . SING C2' C1' no N 15 . 34428 ADN 16 . SING C2' H2' no N 16 . 34428 ADN 17 . SING O2' HO2' no N 17 . 34428 ADN 18 . SING C1' N9 no N 18 . 34428 ADN 19 . SING C1' H1' no N 19 . 34428 ADN 20 . SING N9 C8 yes N 20 . 34428 ADN 21 . SING N9 C4 yes N 21 . 34428 ADN 22 . DOUB C8 N7 yes N 22 . 34428 ADN 23 . SING C8 H8 no N 23 . 34428 ADN 24 . SING N7 C5 yes N 24 . 34428 ADN 25 . SING C5 C6 yes N 25 . 34428 ADN 26 . DOUB C5 C4 yes N 26 . 34428 ADN 27 . SING C6 N6 no N 27 . 34428 ADN 28 . DOUB C6 N1 yes N 28 . 34428 ADN 29 . SING N6 HN61 no N 29 . 34428 ADN 30 . SING N6 HN62 no N 30 . 34428 ADN 31 . SING N1 C2 yes N 31 . 34428 ADN 32 . DOUB C2 N3 yes N 32 . 34428 ADN 33 . SING C2 H2 no N 33 . 34428 ADN 34 . SING N3 C4 yes N 34 . 34428 ADN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34428 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 400 uM [U-99% 13C; U-99% 15N] Mouse RBM20 RRM domain, 480 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O ; _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 'Mouse RBM20 RRM domain' '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 400 . . uM . . . . 34428 1 2 AUCUUA 'natural abundance' . . 1 $entity_1 . . 480 . . uM . . . . 34428 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34428 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34428 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34428 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '400 uM [U-99% 15N] Mouse RBM20 RRM domain, 480 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O' _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 'Mouse RBM20 RRM domain' '[U-99% 15N]' . . 2 $entity_2 . . 400 . . uM . . . . 34428 2 2 AUCUUA 'natural abundance' . . 1 $entity_1 . . 480 . . uM . . . . 34428 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34428 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34428 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34428 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM [U-99% 13C; U-99% 15N] Mouse RBM20 RRM domain, 600 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O ; _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 'Mouse RBM20 RRM domain' '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 500 . . uM . . . . 34428 3 2 AUCUUA 'natural abundance' . . 1 $entity_1 . . 600 . . uM . . . . 34428 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34428 3 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34428 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34428 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-99% 2H; U-99% 15N] Mouse RBM20 RRM domain, 290 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 100% D2O' _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 'Mouse RBM20 RRM domain' '[U-99% 2H; U-99% 15N]' . . 2 $entity_2 . . 300 . . uM . . . . 34428 4 2 AUCUUA 'natural abundance' . . 1 $entity_1 . . 290 . . uM . . . . 34428 4 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34428 4 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34428 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 34428 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-99% 13C] Mouse RBM20 RRM domain, 360 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 100% D2O' _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 'Mouse RBM20 RRM domain' '[U-99% 13C]' . . 2 $entity_2 . . 300 . . uM . . . . 34428 5 2 AUCUUA 'natural abundance' . . 1 $entity_1 . . 360 . . uM . . . . 34428 5 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34428 5 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34428 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 34428 _Sample.ID 6 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 450 uM [U-10% 13C; U-99% 15N] Mouse RBM20 RRM domain, 560 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O ; _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 'Mouse RBM20 RRM domain' '[U-10% 13C; U-99% 15N]' . . 2 $entity_2 . . 450 . . uM . . . . 34428 6 2 AUCUUA 'natural abundance' . . 1 $entity_1 . . 560 . . uM . . . . 34428 6 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34428 6 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34428 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 34428 _Sample.ID 7 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM [U-99% 13C; U-99% 15N] Mouse RBM20 RRM domain, 600 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O ; _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 'Mouse RBM20 RRM domain' '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 500 . . uM . . . . 34428 7 2 AUCUUA 'natural abundance' . . 1 $entity_1 . . 600 . . uM . . . . 34428 7 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34428 7 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34428 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 34428 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 34428 1 pH 6.5 . pH 34428 1 pressure 1 . atm 34428 1 temperature 298 . K 34428 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34428 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 34428 2 pH 6.5 . pH 34428 2 pressure 1 . atm 34428 2 temperature 278 . K 34428 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34428 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34428 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34428 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34428 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34428 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34428 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34428 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34428 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34428 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34428 _Software.ID 4 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34428 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34428 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34428 _Software.ID 5 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34428 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34428 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34428 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details TXI _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Neo _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34428 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'cryoprobe TCI' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 34428 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Neo . 700 . . . 34428 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34428 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 34428 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34428 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 10 '2D 1H-13C HSQC CT' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34428 1 13 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34428 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34428 1 15 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34428 1 16 '2D x2-filtered 1H-1H NOESY' no . . . . . . . . . . 7 $sample_7 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 17 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 18 '2D x2-filtered 1H-1H NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34428 1 19 '3D (H)C(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 20 '2D 1H-1H NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34428 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34428 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34428 1 H 1 water protons . . . . ppm 4.772 internal direct 1.0 . . . . . 34428 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34428 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34428 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34428 1 2 '2D 1H-13C HSQC' . . . 34428 1 3 '3D HNCO' . . . 34428 1 4 '3D HN(CA)CO' . . . 34428 1 5 '3D HNCA' . . . 34428 1 6 '3D CBCA(CO)NH' . . . 34428 1 7 '3D HNHA' . . . 34428 1 8 '3D HCCH-TOCSY' . . . 34428 1 9 '3D HCCH-TOCSY' . . . 34428 1 10 '2D 1H-13C HSQC CT' . . . 34428 1 11 '3D 1H-15N NOESY' . . . 34428 1 12 '3D 1H-13C NOESY' . . . 34428 1 13 '2D 1H-13C HSQC aromatic' . . . 34428 1 14 '2D 1H-1H NOESY' . . . 34428 1 15 '2D 1H-1H TOCSY' . . . 34428 1 16 '2D x2-filtered 1H-1H NOESY' . . . 34428 1 17 '2D 1H-13C HSQC' . . . 34428 1 18 '2D x2-filtered 1H-1H NOESY' . . . 34428 1 19 '3D (H)C(CO)NH-TOCSY' . . . 34428 1 20 '2D 1H-1H NOESY' . . . 34428 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ADN H1' H 1 6.044 0.02 . 1 . . . B B 1 ADN H1' . 34428 1 2 . 1 . 1 1 1 ADN H2 H 1 8.178 0.02 . 1 . . . B B 1 ADN H2 . 34428 1 3 . 1 . 1 1 1 ADN H2' H 1 4.864 0.02 . 1 . . . B B 1 ADN H2' . 34428 1 4 . 1 . 1 1 1 ADN H3' H 1 4.697 0.02 . 1 . . . B B 1 ADN H3' . 34428 1 5 . 1 . 1 1 1 ADN H4' H 1 4.425 0.02 . 1 . . . B B 1 ADN H4' . 34428 1 6 . 1 . 1 1 1 ADN H5'1 H 1 3.921 0.02 . 2 . . . B B 1 ADN H5'1 . 34428 1 7 . 1 . 1 1 1 ADN H5'2 H 1 3.825 0.02 . 2 . . . B B 1 ADN H5'2 . 34428 1 8 . 1 . 1 1 1 ADN H8 H 1 8.31 0.02 . 1 . . . B B 1 ADN H8 . 34428 1 9 . 1 . 1 1 1 ADN C1' C 13 91.382 0.2 . 1 . . . B B 1 ADN C1' . 34428 1 10 . 1 . 1 1 1 ADN C2' C 13 75.523 0.2 . 1 . . . B B 1 ADN C2' . 34428 1 11 . 1 . 1 1 1 ADN C3' C 13 74.653 0.2 . 1 . . . B B 1 ADN C3' . 34428 1 12 . 1 . 1 1 1 ADN C4' C 13 87.823 0.2 . 1 . . . B B 1 ADN C4' . 34428 1 13 . 1 . 1 1 1 ADN C5' C 13 63.679 0.2 . 1 . . . B B 1 ADN C5' . 34428 1 14 . 1 . 1 1 1 ADN C8 C 13 143.18 0.2 . 1 . . . B B 1 ADN C8 . 34428 1 15 . 1 . 1 2 2 U H1' H 1 6.04 0.02 . 1 . . . B B 2 U H1' . 34428 1 16 . 1 . 1 2 2 U H2' H 1 4.294 0.02 . 1 . . . B B 2 U H2' . 34428 1 17 . 1 . 1 2 2 U H3' H 1 4.658 0.02 . 1 . . . B B 2 U H3' . 34428 1 18 . 1 . 1 2 2 U H4' H 1 4.521 0.02 . 1 . . . B B 2 U H4' . 34428 1 19 . 1 . 1 2 2 U H5 H 1 5.752 0.02 . 1 . . . B B 2 U H5 . 34428 1 20 . 1 . 1 2 2 U H5' H 1 4.168 0.02 . 2 . . . B B 2 U H5' . 34428 1 21 . 1 . 1 2 2 U H5'' H 1 4.228 0.02 . 2 . . . B B 2 U H5'' . 34428 1 22 . 1 . 1 2 2 U H6 H 1 7.866 0.02 . 1 . . . B B 2 U H6 . 34428 1 23 . 1 . 1 2 2 U C1' C 13 89.266 0.2 . 1 . . . B B 2 U C1' . 34428 1 24 . 1 . 1 2 2 U C2' C 13 75.901 0.2 . 1 . . . B B 2 U C2' . 34428 1 25 . 1 . 1 2 2 U C3' C 13 78.294 0.2 . 1 . . . B B 2 U C3' . 34428 1 26 . 1 . 1 2 2 U C5 C 13 105.699 0.2 . 1 . . . B B 2 U C5 . 34428 1 27 . 1 . 1 3 3 C H1' H 1 6.565 0.02 . 1 . . . B B 3 C H1' . 34428 1 28 . 1 . 1 3 3 C H2' H 1 4.302 0.02 . 1 . . . B B 3 C H2' . 34428 1 29 . 1 . 1 3 3 C H3' H 1 4.926 0.02 . 1 . . . B B 3 C H3' . 34428 1 30 . 1 . 1 3 3 C H4' H 1 4.05 0.02 . 1 . . . B B 3 C H4' . 34428 1 31 . 1 . 1 3 3 C H5 H 1 5.572 0.02 . 1 . . . B B 3 C H5 . 34428 1 32 . 1 . 1 3 3 C H5' H 1 4.382 0.02 . 2 . . . B B 3 C H5' . 34428 1 33 . 1 . 1 3 3 C H5'' H 1 4.2 0.02 . 2 . . . B B 3 C H5'' . 34428 1 34 . 1 . 1 3 3 C H6 H 1 7.33 0.02 . 1 . . . B B 3 C H6 . 34428 1 35 . 1 . 1 3 3 C HO2' H 1 5.77 0.02 . 1 . . . B B 3 C HO2' . 34428 1 36 . 1 . 1 4 4 U H1' H 1 6.031 0.02 . 1 . . . B B 4 U H1' . 34428 1 37 . 1 . 1 4 4 U H2' H 1 4.389 0.02 . 1 . . . B B 4 U H2' . 34428 1 38 . 1 . 1 4 4 U H3 H 1 10.411 0.02 . 1 . . . B B 4 U H3 . 34428 1 39 . 1 . 1 4 4 U H3' H 1 4.839 0.02 . 1 . . . B B 4 U H3' . 34428 1 40 . 1 . 1 4 4 U H4' H 1 4.316 0.02 . 1 . . . B B 4 U H4' . 34428 1 41 . 1 . 1 4 4 U H5 H 1 3.077 0.02 . 1 . . . B B 4 U H5 . 34428 1 42 . 1 . 1 4 4 U H5' H 1 3.839 0.02 . 2 . . . B B 4 U H5' . 34428 1 43 . 1 . 1 4 4 U H5'' H 1 4.04 0.02 . 2 . . . B B 4 U H5'' . 34428 1 44 . 1 . 1 4 4 U H6 H 1 7.271 0.02 . 1 . . . B B 4 U H6 . 34428 1 45 . 1 . 1 4 4 U HO2' H 1 5.78 0.02 . 1 . . . B B 4 U HO2' . 34428 1 46 . 1 . 1 5 5 U H1' H 1 6.323 0.02 . 1 . . . B B 5 U H1' . 34428 1 47 . 1 . 1 5 5 U H2' H 1 4.222 0.02 . 1 . . . B B 5 U H2' . 34428 1 48 . 1 . 1 5 5 U H3 H 1 10.412 0.02 . 1 . . . B B 5 U H3 . 34428 1 49 . 1 . 1 5 5 U H3' H 1 4.542 0.02 . 1 . . . B B 5 U H3' . 34428 1 50 . 1 . 1 5 5 U H4' H 1 4.429 0.02 . 1 . . . B B 5 U H4' . 34428 1 51 . 1 . 1 5 5 U H5 H 1 6.426 0.02 . 1 . . . B B 5 U H5 . 34428 1 52 . 1 . 1 5 5 U H5' H 1 3.853 0.02 . 2 . . . B B 5 U H5' . 34428 1 53 . 1 . 1 5 5 U H5'' H 1 4.053 0.02 . 2 . . . B B 5 U H5'' . 34428 1 54 . 1 . 1 5 5 U H6 H 1 7.992 0.02 . 1 . . . B B 5 U H6 . 34428 1 55 . 1 . 1 5 5 U HO2' H 1 5.777 0.02 . 1 . . . B B 5 U HO2' . 34428 1 56 . 1 . 1 6 6 A H1' H 1 6.155 0.02 . 1 . . . B B 6 A H1' . 34428 1 57 . 1 . 1 6 6 A H2 H 1 8.242 0.02 . 1 . . . B B 6 A H2 . 34428 1 58 . 1 . 1 6 6 A H2' H 1 4.786 0.02 . 1 . . . B B 6 A H2' . 34428 1 59 . 1 . 1 6 6 A H3' H 1 4.55 0.02 . 1 . . . B B 6 A H3' . 34428 1 60 . 1 . 1 6 6 A H4' H 1 4.412 0.02 . 1 . . . B B 6 A H4' . 34428 1 61 . 1 . 1 6 6 A H5' H 1 4.241 0.02 . 2 . . . B B 6 A H5' . 34428 1 62 . 1 . 1 6 6 A H5'' H 1 4.236 0.02 . 2 . . . B B 6 A H5'' . 34428 1 63 . 1 . 1 6 6 A H8 H 1 8.437 0.02 . 1 . . . B B 6 A H8 . 34428 1 64 . 1 . 1 6 6 A C1' C 13 89.962 0.2 . 1 . . . B B 6 A C1' . 34428 1 65 . 1 . 1 6 6 A C2' C 13 75.622 0.2 . 1 . . . B B 6 A C2' . 34428 1 66 . 1 . 1 6 6 A C3' C 13 72.895 0.2 . 1 . . . B B 6 A C3' . 34428 1 67 . 1 . 1 6 6 A C4' C 13 86.149 0.2 . 1 . . . B B 6 A C4' . 34428 1 68 . 1 . 1 6 6 A C5' C 13 68.743 0.2 . 1 . . . B B 6 A C5' . 34428 1 69 . 1 . 1 6 6 A C8 C 13 141.971 0.2 . 1 . . . B B 6 A C8 . 34428 1 70 . 2 . 2 2 2 ALA H H 1 8.496 0.02 . 1 . . . A A 511 ALA H . 34428 1 71 . 2 . 2 2 2 ALA HA H 1 4.353 0.02 . 1 . . . A A 511 ALA HA . 34428 1 72 . 2 . 2 2 2 ALA HB1 H 1 1.391 0.02 . 1 . . . A A 511 ALA HB1 . 34428 1 73 . 2 . 2 2 2 ALA HB2 H 1 1.391 0.02 . 1 . . . A A 511 ALA HB2 . 34428 1 74 . 2 . 2 2 2 ALA HB3 H 1 1.391 0.02 . 1 . . . A A 511 ALA HB3 . 34428 1 75 . 2 . 2 2 2 ALA C C 13 177.875 0.2 . 1 . . . A A 511 ALA C . 34428 1 76 . 2 . 2 2 2 ALA CA C 13 52.561 0.2 . 1 . . . A A 511 ALA CA . 34428 1 77 . 2 . 2 2 2 ALA CB C 13 19.256 0.2 . 1 . . . A A 511 ALA CB . 34428 1 78 . 2 . 2 2 2 ALA N N 15 120.258 0.2 . 1 . . . A A 511 ALA N . 34428 1 79 . 2 . 2 3 3 MET H H 1 8.496 0.02 . 1 . . . A A 512 MET H . 34428 1 80 . 2 . 2 3 3 MET HA H 1 4.441 0.02 . 1 . . . A A 512 MET HA . 34428 1 81 . 2 . 2 3 3 MET HB2 H 1 2.015 0.02 . 2 . . . A A 512 MET HB2 . 34428 1 82 . 2 . 2 3 3 MET HB3 H 1 2.058 0.02 . 2 . . . A A 512 MET HB3 . 34428 1 83 . 2 . 2 3 3 MET HG2 H 1 2.573 0.02 . 1 . . . A A 512 MET HG2 . 34428 1 84 . 2 . 2 3 3 MET HG3 H 1 2.573 0.02 . 1 . . . A A 512 MET HG3 . 34428 1 85 . 2 . 2 3 3 MET HE1 H 1 2.097 0.02 . 1 . . . A A 512 MET HE1 . 34428 1 86 . 2 . 2 3 3 MET HE2 H 1 2.097 0.02 . 1 . . . A A 512 MET HE2 . 34428 1 87 . 2 . 2 3 3 MET HE3 H 1 2.097 0.02 . 1 . . . A A 512 MET HE3 . 34428 1 88 . 2 . 2 3 3 MET C C 13 176.102 0.2 . 1 . . . A A 512 MET C . 34428 1 89 . 2 . 2 3 3 MET CA C 13 55.547 0.2 . 1 . . . A A 512 MET CA . 34428 1 90 . 2 . 2 3 3 MET CB C 13 32.745 0.2 . 1 . . . A A 512 MET CB . 34428 1 91 . 2 . 2 3 3 MET CG C 13 31.846 0.2 . 1 . . . A A 512 MET CG . 34428 1 92 . 2 . 2 3 3 MET CE C 13 16.947 0.2 . 1 . . . A A 512 MET CE . 34428 1 93 . 2 . 2 3 3 MET N N 15 120.18 0.2 . 1 . . . A A 512 MET N . 34428 1 94 . 2 . 2 4 4 ALA H H 1 8.364 0.02 . 1 . . . A A 513 ALA H . 34428 1 95 . 2 . 2 4 4 ALA HA H 1 4.295 0.02 . 1 . . . A A 513 ALA HA . 34428 1 96 . 2 . 2 4 4 ALA HB1 H 1 1.384 0.02 . 1 . . . A A 513 ALA HB1 . 34428 1 97 . 2 . 2 4 4 ALA HB2 H 1 1.384 0.02 . 1 . . . A A 513 ALA HB2 . 34428 1 98 . 2 . 2 4 4 ALA HB3 H 1 1.384 0.02 . 1 . . . A A 513 ALA HB3 . 34428 1 99 . 2 . 2 4 4 ALA C C 13 177.652 0.2 . 1 . . . A A 513 ALA C . 34428 1 100 . 2 . 2 4 4 ALA CA C 13 52.548 0.2 . 1 . . . A A 513 ALA CA . 34428 1 101 . 2 . 2 4 4 ALA CB C 13 19.115 0.2 . 1 . . . A A 513 ALA CB . 34428 1 102 . 2 . 2 4 4 ALA N N 15 125.712 0.2 . 1 . . . A A 513 ALA N . 34428 1 103 . 2 . 2 5 5 GLN H H 1 8.35 0.02 . 1 . . . A A 514 GLN H . 34428 1 104 . 2 . 2 5 5 GLN HA H 1 4.325 0.02 . 1 . . . A A 514 GLN HA . 34428 1 105 . 2 . 2 5 5 GLN HB2 H 1 2.085 0.02 . 1 . . . A A 514 GLN HB2 . 34428 1 106 . 2 . 2 5 5 GLN HB3 H 1 2.085 0.02 . 1 . . . A A 514 GLN HB3 . 34428 1 107 . 2 . 2 5 5 GLN HG2 H 1 2.379 0.02 . 1 . . . A A 514 GLN HG2 . 34428 1 108 . 2 . 2 5 5 GLN HG3 H 1 2.379 0.02 . 1 . . . A A 514 GLN HG3 . 34428 1 109 . 2 . 2 5 5 GLN HE21 H 1 7.544 0.02 . 2 . . . A A 514 GLN HE21 . 34428 1 110 . 2 . 2 5 5 GLN HE22 H 1 6.897 0.02 . 2 . . . A A 514 GLN HE22 . 34428 1 111 . 2 . 2 5 5 GLN C C 13 176.067 0.2 . 1 . . . A A 514 GLN C . 34428 1 112 . 2 . 2 5 5 GLN CA C 13 55.929 0.2 . 1 . . . A A 514 GLN CA . 34428 1 113 . 2 . 2 5 5 GLN CB C 13 29.86 0.2 . 1 . . . A A 514 GLN CB . 34428 1 114 . 2 . 2 5 5 GLN CG C 13 33.815 0.2 . 1 . . . A A 514 GLN CG . 34428 1 115 . 2 . 2 5 5 GLN N N 15 119.776 0.2 . 1 . . . A A 514 GLN N . 34428 1 116 . 2 . 2 5 5 GLN NE2 N 15 112.47 0.2 . 1 . . . A A 514 GLN NE2 . 34428 1 117 . 2 . 2 6 6 ARG H H 1 8.432 0.02 . 1 . . . A A 515 ARG H . 34428 1 118 . 2 . 2 6 6 ARG HA H 1 4.343 0.02 . 1 . . . A A 515 ARG HA . 34428 1 119 . 2 . 2 6 6 ARG HB2 H 1 1.856 0.02 . 1 . . . A A 515 ARG HB2 . 34428 1 120 . 2 . 2 6 6 ARG HB3 H 1 1.856 0.02 . 1 . . . A A 515 ARG HB3 . 34428 1 121 . 2 . 2 6 6 ARG HG2 H 1 1.666 0.02 . 1 . . . A A 515 ARG HG2 . 34428 1 122 . 2 . 2 6 6 ARG HG3 H 1 1.666 0.02 . 1 . . . A A 515 ARG HG3 . 34428 1 123 . 2 . 2 6 6 ARG HD2 H 1 3.18 0.02 . 1 . . . A A 515 ARG HD2 . 34428 1 124 . 2 . 2 6 6 ARG HD3 H 1 3.18 0.02 . 1 . . . A A 515 ARG HD3 . 34428 1 125 . 2 . 2 6 6 ARG C C 13 176.311 0.2 . 1 . . . A A 515 ARG C . 34428 1 126 . 2 . 2 6 6 ARG CA C 13 56.151 0.2 . 1 . . . A A 515 ARG CA . 34428 1 127 . 2 . 2 6 6 ARG CB C 13 30.663 0.2 . 1 . . . A A 515 ARG CB . 34428 1 128 . 2 . 2 6 6 ARG CG C 13 27.272 0.2 . 1 . . . A A 515 ARG CG . 34428 1 129 . 2 . 2 6 6 ARG CD C 13 43.361 0.2 . 1 . . . A A 515 ARG CD . 34428 1 130 . 2 . 2 6 6 ARG N N 15 122.816 0.2 . 1 . . . A A 515 ARG N . 34428 1 131 . 2 . 2 7 7 LYS H H 1 8.447 0.02 . 1 . . . A A 516 LYS H . 34428 1 132 . 2 . 2 7 7 LYS HA H 1 4.344 0.02 . 1 . . . A A 516 LYS HA . 34428 1 133 . 2 . 2 7 7 LYS HB2 H 1 1.888 0.02 . 1 . . . A A 516 LYS HB2 . 34428 1 134 . 2 . 2 7 7 LYS HB3 H 1 1.888 0.02 . 1 . . . A A 516 LYS HB3 . 34428 1 135 . 2 . 2 7 7 LYS HG2 H 1 1.486 0.02 . 1 . . . A A 516 LYS HG2 . 34428 1 136 . 2 . 2 7 7 LYS HG3 H 1 1.486 0.02 . 1 . . . A A 516 LYS HG3 . 34428 1 137 . 2 . 2 7 7 LYS HD2 H 1 1.685 0.02 . 1 . . . A A 516 LYS HD2 . 34428 1 138 . 2 . 2 7 7 LYS HD3 H 1 1.685 0.02 . 1 . . . A A 516 LYS HD3 . 34428 1 139 . 2 . 2 7 7 LYS HE2 H 1 2.97 0.02 . 1 . . . A A 516 LYS HE2 . 34428 1 140 . 2 . 2 7 7 LYS HE3 H 1 2.97 0.02 . 1 . . . A A 516 LYS HE3 . 34428 1 141 . 2 . 2 7 7 LYS C C 13 177.119 0.2 . 1 . . . A A 516 LYS C . 34428 1 142 . 2 . 2 7 7 LYS CA C 13 56.554 0.2 . 1 . . . A A 516 LYS CA . 34428 1 143 . 2 . 2 7 7 LYS CB C 13 33.156 0.2 . 1 . . . A A 516 LYS CB . 34428 1 144 . 2 . 2 7 7 LYS CG C 13 24.976 0.2 . 1 . . . A A 516 LYS CG . 34428 1 145 . 2 . 2 7 7 LYS CD C 13 29.187 0.2 . 1 . . . A A 516 LYS CD . 34428 1 146 . 2 . 2 7 7 LYS CE C 13 42.138 0.2 . 1 . . . A A 516 LYS CE . 34428 1 147 . 2 . 2 7 7 LYS N N 15 122.942 0.2 . 1 . . . A A 516 LYS N . 34428 1 148 . 2 . 2 8 8 GLY H H 1 8.473 0.02 . 1 . . . A A 517 GLY H . 34428 1 149 . 2 . 2 8 8 GLY HA2 H 1 3.958 0.02 . 1 . . . A A 517 GLY HA2 . 34428 1 150 . 2 . 2 8 8 GLY HA3 H 1 3.958 0.02 . 1 . . . A A 517 GLY HA3 . 34428 1 151 . 2 . 2 8 8 GLY C C 13 173.577 0.2 . 1 . . . A A 517 GLY C . 34428 1 152 . 2 . 2 8 8 GLY CA C 13 45.219 0.2 . 1 . . . A A 517 GLY CA . 34428 1 153 . 2 . 2 8 8 GLY N N 15 110.276 0.2 . 1 . . . A A 517 GLY N . 34428 1 154 . 2 . 2 9 9 ALA H H 1 8.108 0.02 . 1 . . . A A 518 ALA H . 34428 1 155 . 2 . 2 9 9 ALA HA H 1 4.38 0.02 . 1 . . . A A 518 ALA HA . 34428 1 156 . 2 . 2 9 9 ALA HB1 H 1 1.438 0.02 . 1 . . . A A 518 ALA HB1 . 34428 1 157 . 2 . 2 9 9 ALA HB2 H 1 1.438 0.02 . 1 . . . A A 518 ALA HB2 . 34428 1 158 . 2 . 2 9 9 ALA HB3 H 1 1.438 0.02 . 1 . . . A A 518 ALA HB3 . 34428 1 159 . 2 . 2 9 9 ALA C C 13 177.64 0.2 . 1 . . . A A 518 ALA C . 34428 1 160 . 2 . 2 9 9 ALA CA C 13 52.475 0.2 . 1 . . . A A 518 ALA CA . 34428 1 161 . 2 . 2 9 9 ALA CB C 13 20.017 0.2 . 1 . . . A A 518 ALA CB . 34428 1 162 . 2 . 2 9 9 ALA N N 15 123.036 0.2 . 1 . . . A A 518 ALA N . 34428 1 163 . 2 . 2 10 10 GLY H H 1 8.418 0.02 . 1 . . . A A 519 GLY H . 34428 1 164 . 2 . 2 10 10 GLY HA2 H 1 4.197 0.02 . 2 . . . A A 519 GLY HA2 . 34428 1 165 . 2 . 2 10 10 GLY HA3 H 1 4.292 0.02 . 2 . . . A A 519 GLY HA3 . 34428 1 166 . 2 . 2 10 10 GLY C C 13 173.588 0.2 . 1 . . . A A 519 GLY C . 34428 1 167 . 2 . 2 10 10 GLY CA C 13 45.222 0.2 . 1 . . . A A 519 GLY CA . 34428 1 168 . 2 . 2 10 10 GLY N N 15 106.65 0.2 . 1 . . . A A 519 GLY N . 34428 1 169 . 2 . 2 11 11 ARG H H 1 8.571 0.02 . 1 . . . A A 520 ARG H . 34428 1 170 . 2 . 2 11 11 ARG HA H 1 4.454 0.02 . 1 . . . A A 520 ARG HA . 34428 1 171 . 2 . 2 11 11 ARG HG2 H 1 1.413 0.02 . 1 . . . A A 520 ARG HG2 . 34428 1 172 . 2 . 2 11 11 ARG HG3 H 1 1.413 0.02 . 1 . . . A A 520 ARG HG3 . 34428 1 173 . 2 . 2 11 11 ARG HD2 H 1 3.034 0.02 . 2 . . . A A 520 ARG HD2 . 34428 1 174 . 2 . 2 11 11 ARG HD3 H 1 3.298 0.02 . 2 . . . A A 520 ARG HD3 . 34428 1 175 . 2 . 2 11 11 ARG HE H 1 7.341 0.02 . 1 . . . A A 520 ARG HE . 34428 1 176 . 2 . 2 11 11 ARG C C 13 173.972 0.2 . 1 . . . A A 520 ARG C . 34428 1 177 . 2 . 2 11 11 ARG CA C 13 55.4 0.2 . 1 . . . A A 520 ARG CA . 34428 1 178 . 2 . 2 11 11 ARG CB C 13 31.424 0.2 . 1 . . . A A 520 ARG CB . 34428 1 179 . 2 . 2 11 11 ARG CG C 13 27.093 0.2 . 1 . . . A A 520 ARG CG . 34428 1 180 . 2 . 2 11 11 ARG CD C 13 44.459 0.2 . 1 . . . A A 520 ARG CD . 34428 1 181 . 2 . 2 11 11 ARG N N 15 117.102 0.2 . 1 . . . A A 520 ARG N . 34428 1 182 . 2 . 2 11 11 ARG NE N 15 84.659 0.2 . 1 . . . A A 520 ARG NE . 34428 1 183 . 2 . 2 12 12 VAL H H 1 8.388 0.02 . 1 . . . A A 521 VAL H . 34428 1 184 . 2 . 2 12 12 VAL HA H 1 4.736 0.02 . 1 . . . A A 521 VAL HA . 34428 1 185 . 2 . 2 12 12 VAL HB H 1 2 0.02 . 1 . . . A A 521 VAL HB . 34428 1 186 . 2 . 2 12 12 VAL HG11 H 1 0.619 0.02 . 1 . . . A A 521 VAL HG11 . 34428 1 187 . 2 . 2 12 12 VAL HG12 H 1 0.619 0.02 . 1 . . . A A 521 VAL HG12 . 34428 1 188 . 2 . 2 12 12 VAL HG13 H 1 0.619 0.02 . 1 . . . A A 521 VAL HG13 . 34428 1 189 . 2 . 2 12 12 VAL HG21 H 1 0.484 0.02 . 1 . . . A A 521 VAL HG21 . 34428 1 190 . 2 . 2 12 12 VAL HG22 H 1 0.484 0.02 . 1 . . . A A 521 VAL HG22 . 34428 1 191 . 2 . 2 12 12 VAL HG23 H 1 0.484 0.02 . 1 . . . A A 521 VAL HG23 . 34428 1 192 . 2 . 2 12 12 VAL C C 13 174.462 0.2 . 1 . . . A A 521 VAL C . 34428 1 193 . 2 . 2 12 12 VAL CA C 13 61.812 0.2 . 1 . . . A A 521 VAL CA . 34428 1 194 . 2 . 2 12 12 VAL CB C 13 32.3 0.2 . 1 . . . A A 521 VAL CB . 34428 1 195 . 2 . 2 12 12 VAL CG1 C 13 22.785 0.2 . 1 . . . A A 521 VAL CG1 . 34428 1 196 . 2 . 2 12 12 VAL CG2 C 13 21.852 0.2 . 1 . . . A A 521 VAL CG2 . 34428 1 197 . 2 . 2 12 12 VAL N N 15 119.627 0.2 . 1 . . . A A 521 VAL N . 34428 1 198 . 2 . 2 13 13 VAL H H 1 9.533 0.02 . 1 . . . A A 522 VAL H . 34428 1 199 . 2 . 2 13 13 VAL HA H 1 4.396 0.02 . 1 . . . A A 522 VAL HA . 34428 1 200 . 2 . 2 13 13 VAL HB H 1 1.995 0.02 . 1 . . . A A 522 VAL HB . 34428 1 201 . 2 . 2 13 13 VAL HG11 H 1 0.91 0.02 . 1 . . . A A 522 VAL HG11 . 34428 1 202 . 2 . 2 13 13 VAL HG12 H 1 0.91 0.02 . 1 . . . A A 522 VAL HG12 . 34428 1 203 . 2 . 2 13 13 VAL HG13 H 1 0.91 0.02 . 1 . . . A A 522 VAL HG13 . 34428 1 204 . 2 . 2 13 13 VAL HG21 H 1 1.08 0.02 . 1 . . . A A 522 VAL HG21 . 34428 1 205 . 2 . 2 13 13 VAL HG22 H 1 1.08 0.02 . 1 . . . A A 522 VAL HG22 . 34428 1 206 . 2 . 2 13 13 VAL HG23 H 1 1.08 0.02 . 1 . . . A A 522 VAL HG23 . 34428 1 207 . 2 . 2 13 13 VAL C C 13 173.612 0.2 . 1 . . . A A 522 VAL C . 34428 1 208 . 2 . 2 13 13 VAL CA C 13 61.723 0.2 . 1 . . . A A 522 VAL CA . 34428 1 209 . 2 . 2 13 13 VAL CB C 13 34.548 0.2 . 1 . . . A A 522 VAL CB . 34428 1 210 . 2 . 2 13 13 VAL CG1 C 13 22.393 0.2 . 1 . . . A A 522 VAL CG1 . 34428 1 211 . 2 . 2 13 13 VAL CG2 C 13 21.341 0.2 . 1 . . . A A 522 VAL CG2 . 34428 1 212 . 2 . 2 13 13 VAL N N 15 129.884 0.2 . 1 . . . A A 522 VAL N . 34428 1 213 . 2 . 2 14 14 HIS H H 1 9.915 0.02 . 1 . . . A A 523 HIS H . 34428 1 214 . 2 . 2 14 14 HIS HA H 1 5.153 0.02 . 1 . . . A A 523 HIS HA . 34428 1 215 . 2 . 2 14 14 HIS HB2 H 1 2.922 0.02 . 2 . . . A A 523 HIS HB2 . 34428 1 216 . 2 . 2 14 14 HIS HB3 H 1 2.712 0.02 . 2 . . . A A 523 HIS HB3 . 34428 1 217 . 2 . 2 14 14 HIS HD2 H 1 6.132 0.02 . 1 . . . A A 523 HIS HD2 . 34428 1 218 . 2 . 2 14 14 HIS HE1 H 1 7.494 0.02 . 1 . . . A A 523 HIS HE1 . 34428 1 219 . 2 . 2 14 14 HIS C C 13 172.695 0.2 . 1 . . . A A 523 HIS C . 34428 1 220 . 2 . 2 14 14 HIS CA C 13 56.636 0.2 . 1 . . . A A 523 HIS CA . 34428 1 221 . 2 . 2 14 14 HIS CB C 13 34.588 0.2 . 1 . . . A A 523 HIS CB . 34428 1 222 . 2 . 2 14 14 HIS CD2 C 13 116.194 0.2 . 1 . . . A A 523 HIS CD2 . 34428 1 223 . 2 . 2 14 14 HIS CE1 C 13 138.373 0.2 . 1 . . . A A 523 HIS CE1 . 34428 1 224 . 2 . 2 14 14 HIS N N 15 128.207 0.2 . 1 . . . A A 523 HIS N . 34428 1 225 . 2 . 2 15 15 ILE H H 1 8.362 0.02 . 1 . . . A A 524 ILE H . 34428 1 226 . 2 . 2 15 15 ILE HA H 1 4.602 0.02 . 1 . . . A A 524 ILE HA . 34428 1 227 . 2 . 2 15 15 ILE HB H 1 1.289 0.02 . 1 . . . A A 524 ILE HB . 34428 1 228 . 2 . 2 15 15 ILE HG12 H 1 0.804 0.02 . 2 . . . A A 524 ILE HG12 . 34428 1 229 . 2 . 2 15 15 ILE HG13 H 1 1.424 0.02 . 2 . . . A A 524 ILE HG13 . 34428 1 230 . 2 . 2 15 15 ILE HG21 H 1 0.587 0.02 . 1 . . . A A 524 ILE HG21 . 34428 1 231 . 2 . 2 15 15 ILE HG22 H 1 0.587 0.02 . 1 . . . A A 524 ILE HG22 . 34428 1 232 . 2 . 2 15 15 ILE HG23 H 1 0.587 0.02 . 1 . . . A A 524 ILE HG23 . 34428 1 233 . 2 . 2 15 15 ILE HD11 H 1 0.662 0.02 . 1 . . . A A 524 ILE HD11 . 34428 1 234 . 2 . 2 15 15 ILE HD12 H 1 0.662 0.02 . 1 . . . A A 524 ILE HD12 . 34428 1 235 . 2 . 2 15 15 ILE HD13 H 1 0.662 0.02 . 1 . . . A A 524 ILE HD13 . 34428 1 236 . 2 . 2 15 15 ILE C C 13 174.012 0.2 . 1 . . . A A 524 ILE C . 34428 1 237 . 2 . 2 15 15 ILE CA C 13 59.968 0.2 . 1 . . . A A 524 ILE CA . 34428 1 238 . 2 . 2 15 15 ILE CB C 13 41.734 0.2 . 1 . . . A A 524 ILE CB . 34428 1 239 . 2 . 2 15 15 ILE CG1 C 13 28.175 0.2 . 1 . . . A A 524 ILE CG1 . 34428 1 240 . 2 . 2 15 15 ILE CG2 C 13 18.768 0.2 . 1 . . . A A 524 ILE CG2 . 34428 1 241 . 2 . 2 15 15 ILE CD1 C 13 16.006 0.2 . 1 . . . A A 524 ILE CD1 . 34428 1 242 . 2 . 2 15 15 ILE N N 15 126.766 0.2 . 1 . . . A A 524 ILE N . 34428 1 243 . 2 . 2 16 16 CYS H H 1 8.72 0.02 . 1 . . . A A 525 CYS H . 34428 1 244 . 2 . 2 16 16 CYS HA H 1 5.169 0.02 . 1 . . . A A 525 CYS HA . 34428 1 245 . 2 . 2 16 16 CYS HB2 H 1 3.011 0.02 . 2 . . . A A 525 CYS HB2 . 34428 1 246 . 2 . 2 16 16 CYS HB3 H 1 2.833 0.02 . 2 . . . A A 525 CYS HB3 . 34428 1 247 . 2 . 2 16 16 CYS C C 13 172.46 0.2 . 1 . . . A A 525 CYS C . 34428 1 248 . 2 . 2 16 16 CYS CA C 13 56.053 0.2 . 1 . . . A A 525 CYS CA . 34428 1 249 . 2 . 2 16 16 CYS CB C 13 31.262 0.2 . 1 . . . A A 525 CYS CB . 34428 1 250 . 2 . 2 16 16 CYS N N 15 118.997 0.2 . 1 . . . A A 525 CYS N . 34428 1 251 . 2 . 2 17 17 ASN H H 1 9.146 0.02 . 1 . . . A A 526 ASN H . 34428 1 252 . 2 . 2 17 17 ASN HA H 1 4.336 0.02 . 1 . . . A A 526 ASN HA . 34428 1 253 . 2 . 2 17 17 ASN HB2 H 1 3.161 0.02 . 2 . . . A A 526 ASN HB2 . 34428 1 254 . 2 . 2 17 17 ASN HB3 H 1 3.331 0.02 . 2 . . . A A 526 ASN HB3 . 34428 1 255 . 2 . 2 17 17 ASN HD21 H 1 7.585 0.02 . 2 . . . A A 526 ASN HD21 . 34428 1 256 . 2 . 2 17 17 ASN HD22 H 1 7.353 0.02 . 2 . . . A A 526 ASN HD22 . 34428 1 257 . 2 . 2 17 17 ASN C C 13 174.856 0.2 . 1 . . . A A 526 ASN C . 34428 1 258 . 2 . 2 17 17 ASN CA C 13 54.112 0.2 . 1 . . . A A 526 ASN CA . 34428 1 259 . 2 . 2 17 17 ASN CB C 13 37.121 0.2 . 1 . . . A A 526 ASN CB . 34428 1 260 . 2 . 2 17 17 ASN N N 15 115.09 0.2 . 1 . . . A A 526 ASN N . 34428 1 261 . 2 . 2 17 17 ASN ND2 N 15 113.04 0.2 . 1 . . . A A 526 ASN ND2 . 34428 1 262 . 2 . 2 18 18 LEU H H 1 7.344 0.02 . 1 . . . A A 527 LEU H . 34428 1 263 . 2 . 2 18 18 LEU HA H 1 3.96 0.02 . 1 . . . A A 527 LEU HA . 34428 1 264 . 2 . 2 18 18 LEU HB2 H 1 1.006 0.02 . 2 . . . A A 527 LEU HB2 . 34428 1 265 . 2 . 2 18 18 LEU HB3 H 1 1.173 0.02 . 2 . . . A A 527 LEU HB3 . 34428 1 266 . 2 . 2 18 18 LEU HD11 H 1 0.426 0.02 . 1 . . . A A 527 LEU HD11 . 34428 1 267 . 2 . 2 18 18 LEU HD12 H 1 0.426 0.02 . 1 . . . A A 527 LEU HD12 . 34428 1 268 . 2 . 2 18 18 LEU HD13 H 1 0.426 0.02 . 1 . . . A A 527 LEU HD13 . 34428 1 269 . 2 . 2 18 18 LEU HD21 H 1 0.619 0.02 . 1 . . . A A 527 LEU HD21 . 34428 1 270 . 2 . 2 18 18 LEU HD22 H 1 0.619 0.02 . 1 . . . A A 527 LEU HD22 . 34428 1 271 . 2 . 2 18 18 LEU HD23 H 1 0.619 0.02 . 1 . . . A A 527 LEU HD23 . 34428 1 272 . 2 . 2 18 18 LEU CA C 13 53.571 0.2 . 1 . . . A A 527 LEU CA . 34428 1 273 . 2 . 2 18 18 LEU CB C 13 41.684 0.2 . 1 . . . A A 527 LEU CB . 34428 1 274 . 2 . 2 18 18 LEU CG C 13 27.14 0.2 . 1 . . . A A 527 LEU CG . 34428 1 275 . 2 . 2 18 18 LEU CD1 C 13 26.358 0.2 . 1 . . . A A 527 LEU CD1 . 34428 1 276 . 2 . 2 18 18 LEU CD2 C 13 24.669 0.2 . 1 . . . A A 527 LEU CD2 . 34428 1 277 . 2 . 2 18 18 LEU N N 15 116.543 0.2 . 1 . . . A A 527 LEU N . 34428 1 278 . 2 . 2 19 19 PRO HA H 1 4.364 0.02 . 1 . . . A A 528 PRO HA . 34428 1 279 . 2 . 2 19 19 PRO HB2 H 1 2.204 0.02 . 2 . . . A A 528 PRO HB2 . 34428 1 280 . 2 . 2 19 19 PRO HB3 H 1 1.868 0.02 . 2 . . . A A 528 PRO HB3 . 34428 1 281 . 2 . 2 19 19 PRO HG2 H 1 2.027 0.02 . 1 . . . A A 528 PRO HG2 . 34428 1 282 . 2 . 2 19 19 PRO HG3 H 1 2.027 0.02 . 1 . . . A A 528 PRO HG3 . 34428 1 283 . 2 . 2 19 19 PRO HD2 H 1 3.754 0.02 . 2 . . . A A 528 PRO HD2 . 34428 1 284 . 2 . 2 19 19 PRO HD3 H 1 3.361 0.02 . 2 . . . A A 528 PRO HD3 . 34428 1 285 . 2 . 2 19 19 PRO C C 13 177.058 0.2 . 1 . . . A A 528 PRO C . 34428 1 286 . 2 . 2 19 19 PRO CA C 13 61.894 0.2 . 1 . . . A A 528 PRO CA . 34428 1 287 . 2 . 2 19 19 PRO CB C 13 31.79 0.2 . 1 . . . A A 528 PRO CB . 34428 1 288 . 2 . 2 19 19 PRO CG C 13 27.156 0.2 . 1 . . . A A 528 PRO CG . 34428 1 289 . 2 . 2 19 19 PRO CD C 13 50.055 0.2 . 1 . . . A A 528 PRO CD . 34428 1 290 . 2 . 2 20 20 GLU H H 1 8.7 0.02 . 1 . . . A A 529 GLU H . 34428 1 291 . 2 . 2 20 20 GLU HA H 1 4.011 0.02 . 1 . . . A A 529 GLU HA . 34428 1 292 . 2 . 2 20 20 GLU HB2 H 1 2.061 0.02 . 2 . . . A A 529 GLU HB2 . 34428 1 293 . 2 . 2 20 20 GLU HB3 H 1 1.91 0.02 . 2 . . . A A 529 GLU HB3 . 34428 1 294 . 2 . 2 20 20 GLU HG2 H 1 2.28 0.02 . 1 . . . A A 529 GLU HG2 . 34428 1 295 . 2 . 2 20 20 GLU HG3 H 1 2.28 0.02 . 1 . . . A A 529 GLU HG3 . 34428 1 296 . 2 . 2 20 20 GLU C C 13 178.01 0.2 . 1 . . . A A 529 GLU C . 34428 1 297 . 2 . 2 20 20 GLU CA C 13 58.445 0.2 . 1 . . . A A 529 GLU CA . 34428 1 298 . 2 . 2 20 20 GLU CB C 13 29.426 0.2 . 1 . . . A A 529 GLU CB . 34428 1 299 . 2 . 2 20 20 GLU CG C 13 35.72 0.2 . 1 . . . A A 529 GLU CG . 34428 1 300 . 2 . 2 20 20 GLU N N 15 123.648 0.2 . 1 . . . A A 529 GLU N . 34428 1 301 . 2 . 2 21 21 GLY H H 1 8.989 0.02 . 1 . . . A A 530 GLY H . 34428 1 302 . 2 . 2 21 21 GLY HA2 H 1 4.29 0.02 . 2 . . . A A 530 GLY HA2 . 34428 1 303 . 2 . 2 21 21 GLY HA3 H 1 3.732 0.02 . 2 . . . A A 530 GLY HA3 . 34428 1 304 . 2 . 2 21 21 GLY C C 13 175.134 0.2 . 1 . . . A A 530 GLY C . 34428 1 305 . 2 . 2 21 21 GLY CA C 13 45.441 0.2 . 1 . . . A A 530 GLY CA . 34428 1 306 . 2 . 2 21 21 GLY N N 15 114.857 0.2 . 1 . . . A A 530 GLY N . 34428 1 307 . 2 . 2 22 22 SER H H 1 8.059 0.02 . 1 . . . A A 531 SER H . 34428 1 308 . 2 . 2 22 22 SER HA H 1 4.764 0.02 . 1 . . . A A 531 SER HA . 34428 1 309 . 2 . 2 22 22 SER HB2 H 1 3.601 0.02 . 2 . . . A A 531 SER HB2 . 34428 1 310 . 2 . 2 22 22 SER HB3 H 1 3.901 0.02 . 2 . . . A A 531 SER HB3 . 34428 1 311 . 2 . 2 22 22 SER C C 13 172.624 0.2 . 1 . . . A A 531 SER C . 34428 1 312 . 2 . 2 22 22 SER CA C 13 58.626 0.2 . 1 . . . A A 531 SER CA . 34428 1 313 . 2 . 2 22 22 SER CB C 13 64.094 0.2 . 1 . . . A A 531 SER CB . 34428 1 314 . 2 . 2 22 22 SER N N 15 114.363 0.2 . 1 . . . A A 531 SER N . 34428 1 315 . 2 . 2 23 23 CYS H H 1 8.065 0.02 . 1 . . . A A 532 CYS H . 34428 1 316 . 2 . 2 23 23 CYS HA H 1 4.527 0.02 . 1 . . . A A 532 CYS HA . 34428 1 317 . 2 . 2 23 23 CYS HB2 H 1 2.598 0.02 . 2 . . . A A 532 CYS HB2 . 34428 1 318 . 2 . 2 23 23 CYS HB3 H 1 3.055 0.02 . 2 . . . A A 532 CYS HB3 . 34428 1 319 . 2 . 2 23 23 CYS C C 13 173.282 0.2 . 1 . . . A A 532 CYS C . 34428 1 320 . 2 . 2 23 23 CYS CA C 13 57.737 0.2 . 1 . . . A A 532 CYS CA . 34428 1 321 . 2 . 2 23 23 CYS CB C 13 24.78 0.2 . 1 . . . A A 532 CYS CB . 34428 1 322 . 2 . 2 23 23 CYS N N 15 122.922 0.2 . 1 . . . A A 532 CYS N . 34428 1 323 . 2 . 2 24 24 THR H H 1 7.712 0.02 . 1 . . . A A 533 THR H . 34428 1 324 . 2 . 2 24 24 THR HA H 1 4.58 0.02 . 1 . . . A A 533 THR HA . 34428 1 325 . 2 . 2 24 24 THR HB H 1 4.364 0.02 . 1 . . . A A 533 THR HB . 34428 1 326 . 2 . 2 24 24 THR HG21 H 1 1.107 0.02 . 1 . . . A A 533 THR HG21 . 34428 1 327 . 2 . 2 24 24 THR HG22 H 1 1.107 0.02 . 1 . . . A A 533 THR HG22 . 34428 1 328 . 2 . 2 24 24 THR HG23 H 1 1.107 0.02 . 1 . . . A A 533 THR HG23 . 34428 1 329 . 2 . 2 24 24 THR C C 13 173.461 0.2 . 1 . . . A A 533 THR C . 34428 1 330 . 2 . 2 24 24 THR CA C 13 59.475 0.2 . 1 . . . A A 533 THR CA . 34428 1 331 . 2 . 2 24 24 THR CB C 13 72.464 0.2 . 1 . . . A A 533 THR CB . 34428 1 332 . 2 . 2 24 24 THR CG2 C 13 21.037 0.2 . 1 . . . A A 533 THR CG2 . 34428 1 333 . 2 . 2 24 24 THR N N 15 112.106 0.2 . 1 . . . A A 533 THR N . 34428 1 334 . 2 . 2 25 25 GLU H H 1 9.692 0.02 . 1 . . . A A 534 GLU H . 34428 1 335 . 2 . 2 25 25 GLU HA H 1 3.346 0.02 . 1 . . . A A 534 GLU HA . 34428 1 336 . 2 . 2 25 25 GLU HB2 H 1 1.908 0.02 . 2 . . . A A 534 GLU HB2 . 34428 1 337 . 2 . 2 25 25 GLU HB3 H 1 1.568 0.02 . 2 . . . A A 534 GLU HB3 . 34428 1 338 . 2 . 2 25 25 GLU HG2 H 1 2.459 0.02 . 2 . . . A A 534 GLU HG2 . 34428 1 339 . 2 . 2 25 25 GLU HG3 H 1 2.09 0.02 . 2 . . . A A 534 GLU HG3 . 34428 1 340 . 2 . 2 25 25 GLU C C 13 177.153 0.2 . 1 . . . A A 534 GLU C . 34428 1 341 . 2 . 2 25 25 GLU CA C 13 61.449 0.2 . 1 . . . A A 534 GLU CA . 34428 1 342 . 2 . 2 25 25 GLU CB C 13 28.16 0.2 . 1 . . . A A 534 GLU CB . 34428 1 343 . 2 . 2 25 25 GLU CG C 13 37.247 0.2 . 1 . . . A A 534 GLU CG . 34428 1 344 . 2 . 2 25 25 GLU N N 15 121.642 0.2 . 1 . . . A A 534 GLU N . 34428 1 345 . 2 . 2 26 26 ASN H H 1 8.29 0.02 . 1 . . . A A 535 ASN H . 34428 1 346 . 2 . 2 26 26 ASN HA H 1 3.979 0.02 . 1 . . . A A 535 ASN HA . 34428 1 347 . 2 . 2 26 26 ASN HB2 H 1 2.612 0.02 . 2 . . . A A 535 ASN HB2 . 34428 1 348 . 2 . 2 26 26 ASN HB3 H 1 2.563 0.02 . 2 . . . A A 535 ASN HB3 . 34428 1 349 . 2 . 2 26 26 ASN HD21 H 1 7.363 0.02 . 2 . . . A A 535 ASN HD21 . 34428 1 350 . 2 . 2 26 26 ASN HD22 H 1 6.848 0.02 . 2 . . . A A 535 ASN HD22 . 34428 1 351 . 2 . 2 26 26 ASN C C 13 177.103 0.2 . 1 . . . A A 535 ASN C . 34428 1 352 . 2 . 2 26 26 ASN CA C 13 56.646 0.2 . 1 . . . A A 535 ASN CA . 34428 1 353 . 2 . 2 26 26 ASN CB C 13 37.836 0.2 . 1 . . . A A 535 ASN CB . 34428 1 354 . 2 . 2 26 26 ASN N N 15 115.453 0.2 . 1 . . . A A 535 ASN N . 34428 1 355 . 2 . 2 26 26 ASN ND2 N 15 110.319 0.2 . 1 . . . A A 535 ASN ND2 . 34428 1 356 . 2 . 2 27 27 ASP H H 1 7.524 0.02 . 1 . . . A A 536 ASP H . 34428 1 357 . 2 . 2 27 27 ASP HA H 1 4.253 0.02 . 1 . . . A A 536 ASP HA . 34428 1 358 . 2 . 2 27 27 ASP HB2 H 1 2.44 0.02 . 2 . . . A A 536 ASP HB2 . 34428 1 359 . 2 . 2 27 27 ASP HB3 H 1 2.855 0.02 . 2 . . . A A 536 ASP HB3 . 34428 1 360 . 2 . 2 27 27 ASP C C 13 178.036 0.2 . 1 . . . A A 536 ASP C . 34428 1 361 . 2 . 2 27 27 ASP CA C 13 57.745 0.2 . 1 . . . A A 536 ASP CA . 34428 1 362 . 2 . 2 27 27 ASP CB C 13 41.729 0.2 . 1 . . . A A 536 ASP CB . 34428 1 363 . 2 . 2 27 27 ASP N N 15 116.362 0.2 . 1 . . . A A 536 ASP N . 34428 1 364 . 2 . 2 28 28 VAL H H 1 7.642 0.02 . 1 . . . A A 537 VAL H . 34428 1 365 . 2 . 2 28 28 VAL HA H 1 3.597 0.02 . 1 . . . A A 537 VAL HA . 34428 1 366 . 2 . 2 28 28 VAL HB H 1 1.863 0.02 . 1 . . . A A 537 VAL HB . 34428 1 367 . 2 . 2 28 28 VAL HG11 H 1 0.683 0.02 . 1 . . . A A 537 VAL HG11 . 34428 1 368 . 2 . 2 28 28 VAL HG12 H 1 0.683 0.02 . 1 . . . A A 537 VAL HG12 . 34428 1 369 . 2 . 2 28 28 VAL HG13 H 1 0.683 0.02 . 1 . . . A A 537 VAL HG13 . 34428 1 370 . 2 . 2 28 28 VAL HG21 H 1 0.864 0.02 . 1 . . . A A 537 VAL HG21 . 34428 1 371 . 2 . 2 28 28 VAL HG22 H 1 0.864 0.02 . 1 . . . A A 537 VAL HG22 . 34428 1 372 . 2 . 2 28 28 VAL HG23 H 1 0.864 0.02 . 1 . . . A A 537 VAL HG23 . 34428 1 373 . 2 . 2 28 28 VAL C C 13 177.443 0.2 . 1 . . . A A 537 VAL C . 34428 1 374 . 2 . 2 28 28 VAL CA C 13 66.22 0.2 . 1 . . . A A 537 VAL CA . 34428 1 375 . 2 . 2 28 28 VAL CB C 13 31.818 0.2 . 1 . . . A A 537 VAL CB . 34428 1 376 . 2 . 2 28 28 VAL CG1 C 13 21.263 0.2 . 1 . . . A A 537 VAL CG1 . 34428 1 377 . 2 . 2 28 28 VAL CG2 C 13 23.483 0.2 . 1 . . . A A 537 VAL CG2 . 34428 1 378 . 2 . 2 28 28 VAL N N 15 115.37 0.2 . 1 . . . A A 537 VAL N . 34428 1 379 . 2 . 2 29 29 ILE H H 1 8.145 0.02 . 1 . . . A A 538 ILE H . 34428 1 380 . 2 . 2 29 29 ILE HA H 1 3.647 0.02 . 1 . . . A A 538 ILE HA . 34428 1 381 . 2 . 2 29 29 ILE HB H 1 1.817 0.02 . 1 . . . A A 538 ILE HB . 34428 1 382 . 2 . 2 29 29 ILE HG12 H 1 0.963 0.02 . 2 . . . A A 538 ILE HG12 . 34428 1 383 . 2 . 2 29 29 ILE HG13 H 1 1.314 0.02 . 2 . . . A A 538 ILE HG13 . 34428 1 384 . 2 . 2 29 29 ILE HG21 H 1 0.739 0.02 . 1 . . . A A 538 ILE HG21 . 34428 1 385 . 2 . 2 29 29 ILE HG22 H 1 0.739 0.02 . 1 . . . A A 538 ILE HG22 . 34428 1 386 . 2 . 2 29 29 ILE HG23 H 1 0.739 0.02 . 1 . . . A A 538 ILE HG23 . 34428 1 387 . 2 . 2 29 29 ILE HD11 H 1 0.446 0.02 . 1 . . . A A 538 ILE HD11 . 34428 1 388 . 2 . 2 29 29 ILE HD12 H 1 0.446 0.02 . 1 . . . A A 538 ILE HD12 . 34428 1 389 . 2 . 2 29 29 ILE HD13 H 1 0.446 0.02 . 1 . . . A A 538 ILE HD13 . 34428 1 390 . 2 . 2 29 29 ILE C C 13 178.947 0.2 . 1 . . . A A 538 ILE C . 34428 1 391 . 2 . 2 29 29 ILE CA C 13 65.589 0.2 . 1 . . . A A 538 ILE CA . 34428 1 392 . 2 . 2 29 29 ILE CB C 13 36.812 0.2 . 1 . . . A A 538 ILE CB . 34428 1 393 . 2 . 2 29 29 ILE CG1 C 13 30.992 0.2 . 1 . . . A A 538 ILE CG1 . 34428 1 394 . 2 . 2 29 29 ILE CG2 C 13 17.821 0.2 . 1 . . . A A 538 ILE CG2 . 34428 1 395 . 2 . 2 29 29 ILE CD1 C 13 13.233 0.2 . 1 . . . A A 538 ILE CD1 . 34428 1 396 . 2 . 2 29 29 ILE N N 15 118.72 0.2 . 1 . . . A A 538 ILE N . 34428 1 397 . 2 . 2 30 30 ASN H H 1 7.529 0.02 . 1 . . . A A 539 ASN H . 34428 1 398 . 2 . 2 30 30 ASN HA H 1 4.44 0.02 . 1 . . . A A 539 ASN HA . 34428 1 399 . 2 . 2 30 30 ASN HB2 H 1 2.949 0.02 . 2 . . . A A 539 ASN HB2 . 34428 1 400 . 2 . 2 30 30 ASN HB3 H 1 2.714 0.02 . 2 . . . A A 539 ASN HB3 . 34428 1 401 . 2 . 2 30 30 ASN HD21 H 1 7.542 0.02 . 1 . . . A A 539 ASN HD21 . 34428 1 402 . 2 . 2 30 30 ASN HD22 H 1 6.585 0.02 . 1 . . . A A 539 ASN HD22 . 34428 1 403 . 2 . 2 30 30 ASN C C 13 177.057 0.2 . 1 . . . A A 539 ASN C . 34428 1 404 . 2 . 2 30 30 ASN CA C 13 56.112 0.2 . 1 . . . A A 539 ASN CA . 34428 1 405 . 2 . 2 30 30 ASN CB C 13 39.03 0.2 . 1 . . . A A 539 ASN CB . 34428 1 406 . 2 . 2 30 30 ASN N N 15 115.242 0.2 . 1 . . . A A 539 ASN N . 34428 1 407 . 2 . 2 30 30 ASN ND2 N 15 112.121 0.2 . 1 . . . A A 539 ASN ND2 . 34428 1 408 . 2 . 2 31 31 LEU H H 1 7.283 0.02 . 1 . . . A A 540 LEU H . 34428 1 409 . 2 . 2 31 31 LEU HA H 1 4.246 0.02 . 1 . . . A A 540 LEU HA . 34428 1 410 . 2 . 2 31 31 LEU HB2 H 1 1.143 0.02 . 2 . . . A A 540 LEU HB2 . 34428 1 411 . 2 . 2 31 31 LEU HB3 H 1 2.05 0.02 . 2 . . . A A 540 LEU HB3 . 34428 1 412 . 2 . 2 31 31 LEU HD11 H 1 0.646 0.02 . 1 . . . A A 540 LEU HD11 . 34428 1 413 . 2 . 2 31 31 LEU HD12 H 1 0.646 0.02 . 1 . . . A A 540 LEU HD12 . 34428 1 414 . 2 . 2 31 31 LEU HD13 H 1 0.646 0.02 . 1 . . . A A 540 LEU HD13 . 34428 1 415 . 2 . 2 31 31 LEU HD21 H 1 0.663 0.02 . 1 . . . A A 540 LEU HD21 . 34428 1 416 . 2 . 2 31 31 LEU HD22 H 1 0.663 0.02 . 1 . . . A A 540 LEU HD22 . 34428 1 417 . 2 . 2 31 31 LEU HD23 H 1 0.663 0.02 . 1 . . . A A 540 LEU HD23 . 34428 1 418 . 2 . 2 31 31 LEU C C 13 179.812 0.2 . 1 . . . A A 540 LEU C . 34428 1 419 . 2 . 2 31 31 LEU CA C 13 57.078 0.2 . 1 . . . A A 540 LEU CA . 34428 1 420 . 2 . 2 31 31 LEU CB C 13 42.653 0.2 . 1 . . . A A 540 LEU CB . 34428 1 421 . 2 . 2 31 31 LEU CG C 13 26.588 0.2 . 1 . . . A A 540 LEU CG . 34428 1 422 . 2 . 2 31 31 LEU CD1 C 13 26.457 0.2 . 1 . . . A A 540 LEU CD1 . 34428 1 423 . 2 . 2 31 31 LEU CD2 C 13 22.233 0.2 . 1 . . . A A 540 LEU CD2 . 34428 1 424 . 2 . 2 31 31 LEU N N 15 115.223 0.2 . 1 . . . A A 540 LEU N . 34428 1 425 . 2 . 2 32 32 GLY H H 1 7.693 0.02 . 1 . . . A A 541 GLY H . 34428 1 426 . 2 . 2 32 32 GLY HA2 H 1 5.096 0.02 . 2 . . . A A 541 GLY HA2 . 34428 1 427 . 2 . 2 32 32 GLY HA3 H 1 3.517 0.02 . 2 . . . A A 541 GLY HA3 . 34428 1 428 . 2 . 2 32 32 GLY C C 13 173.387 0.2 . 1 . . . A A 541 GLY C . 34428 1 429 . 2 . 2 32 32 GLY CA C 13 46.342 0.2 . 1 . . . A A 541 GLY CA . 34428 1 430 . 2 . 2 32 32 GLY N N 15 102.995 0.2 . 1 . . . A A 541 GLY N . 34428 1 431 . 2 . 2 33 33 LEU H H 1 7.3 0.02 . 1 . . . A A 542 LEU H . 34428 1 432 . 2 . 2 33 33 LEU HA H 1 4.589 0.02 . 1 . . . A A 542 LEU HA . 34428 1 433 . 2 . 2 33 33 LEU HB2 H 1 1.549 0.02 . 2 . . . A A 542 LEU HB2 . 34428 1 434 . 2 . 2 33 33 LEU HB3 H 1 1.848 0.02 . 2 . . . A A 542 LEU HB3 . 34428 1 435 . 2 . 2 33 33 LEU HD11 H 1 0.953 0.02 . 1 . . . A A 542 LEU HD11 . 34428 1 436 . 2 . 2 33 33 LEU HD12 H 1 0.953 0.02 . 1 . . . A A 542 LEU HD12 . 34428 1 437 . 2 . 2 33 33 LEU HD13 H 1 0.953 0.02 . 1 . . . A A 542 LEU HD13 . 34428 1 438 . 2 . 2 33 33 LEU HD21 H 1 0.903 0.02 . 1 . . . A A 542 LEU HD21 . 34428 1 439 . 2 . 2 33 33 LEU HD22 H 1 0.903 0.02 . 1 . . . A A 542 LEU HD22 . 34428 1 440 . 2 . 2 33 33 LEU HD23 H 1 0.903 0.02 . 1 . . . A A 542 LEU HD23 . 34428 1 441 . 2 . 2 33 33 LEU C C 13 175.642 0.2 . 1 . . . A A 542 LEU C . 34428 1 442 . 2 . 2 33 33 LEU CA C 13 58.116 0.2 . 1 . . . A A 542 LEU CA . 34428 1 443 . 2 . 2 33 33 LEU CB C 13 40.155 0.2 . 1 . . . A A 542 LEU CB . 34428 1 444 . 2 . 2 33 33 LEU CD1 C 13 25.61 0.2 . 1 . . . A A 542 LEU CD1 . 34428 1 445 . 2 . 2 33 33 LEU CD2 C 13 22.951 0.2 . 1 . . . A A 542 LEU CD2 . 34428 1 446 . 2 . 2 33 33 LEU N N 15 119.888 0.2 . 1 . . . A A 542 LEU N . 34428 1 447 . 2 . 2 34 34 PRO HA H 1 4.046 0.02 . 1 . . . A A 543 PRO HA . 34428 1 448 . 2 . 2 34 34 PRO HB2 H 1 0.104 0.02 . 2 . . . A A 543 PRO HB2 . 34428 1 449 . 2 . 2 34 34 PRO HB3 H 1 1.763 0.02 . 2 . . . A A 543 PRO HB3 . 34428 1 450 . 2 . 2 34 34 PRO HG2 H 1 1.703 0.02 . 1 . . . A A 543 PRO HG2 . 34428 1 451 . 2 . 2 34 34 PRO HG3 H 1 1.703 0.02 . 1 . . . A A 543 PRO HG3 . 34428 1 452 . 2 . 2 34 34 PRO HD2 H 1 3.801 0.02 . 2 . . . A A 543 PRO HD2 . 34428 1 453 . 2 . 2 34 34 PRO HD3 H 1 3.124 0.02 . 2 . . . A A 543 PRO HD3 . 34428 1 454 . 2 . 2 34 34 PRO C C 13 176.836 0.2 . 1 . . . A A 543 PRO C . 34428 1 455 . 2 . 2 34 34 PRO CA C 13 64.897 0.2 . 1 . . . A A 543 PRO CA . 34428 1 456 . 2 . 2 34 34 PRO CB C 13 30.663 0.2 . 1 . . . A A 543 PRO CB . 34428 1 457 . 2 . 2 34 34 PRO CG C 13 28.021 0.2 . 1 . . . A A 543 PRO CG . 34428 1 458 . 2 . 2 34 34 PRO CD C 13 51.361 0.2 . 1 . . . A A 543 PRO CD . 34428 1 459 . 2 . 2 35 35 PHE H H 1 7.846 0.02 . 1 . . . A A 544 PHE H . 34428 1 460 . 2 . 2 35 35 PHE HA H 1 4.241 0.02 . 1 . . . A A 544 PHE HA . 34428 1 461 . 2 . 2 35 35 PHE HB2 H 1 3.478 0.02 . 2 . . . A A 544 PHE HB2 . 34428 1 462 . 2 . 2 35 35 PHE HB3 H 1 2.822 0.02 . 2 . . . A A 544 PHE HB3 . 34428 1 463 . 2 . 2 35 35 PHE HD1 H 1 7.274 0.02 . 1 . . . A A 544 PHE HD1 . 34428 1 464 . 2 . 2 35 35 PHE HD2 H 1 7.274 0.02 . 1 . . . A A 544 PHE HD2 . 34428 1 465 . 2 . 2 35 35 PHE HE1 H 1 7.112 0.02 . 1 . . . A A 544 PHE HE1 . 34428 1 466 . 2 . 2 35 35 PHE HE2 H 1 7.112 0.02 . 1 . . . A A 544 PHE HE2 . 34428 1 467 . 2 . 2 35 35 PHE HZ H 1 5.991 0.02 . 1 . . . A A 544 PHE HZ . 34428 1 468 . 2 . 2 35 35 PHE C C 13 174.893 0.2 . 1 . . . A A 544 PHE C . 34428 1 469 . 2 . 2 35 35 PHE CA C 13 58.669 0.2 . 1 . . . A A 544 PHE CA . 34428 1 470 . 2 . 2 35 35 PHE CB C 13 39.771 0.2 . 1 . . . A A 544 PHE CB . 34428 1 471 . 2 . 2 35 35 PHE CD1 C 13 131.598 0.2 . 1 . . . A A 544 PHE CD1 . 34428 1 472 . 2 . 2 35 35 PHE CD2 C 13 131.598 0.2 . 1 . . . A A 544 PHE CD2 . 34428 1 473 . 2 . 2 35 35 PHE CE1 C 13 131.697 0.2 . 1 . . . A A 544 PHE CE1 . 34428 1 474 . 2 . 2 35 35 PHE CE2 C 13 131.697 0.2 . 1 . . . A A 544 PHE CE2 . 34428 1 475 . 2 . 2 35 35 PHE CZ C 13 129.079 0.2 . 1 . . . A A 544 PHE CZ . 34428 1 476 . 2 . 2 35 35 PHE N N 15 112.508 0.2 . 1 . . . A A 544 PHE N . 34428 1 477 . 2 . 2 36 36 GLY H H 1 7.517 0.02 . 1 . . . A A 545 GLY H . 34428 1 478 . 2 . 2 36 36 GLY HA2 H 1 3.854 0.02 . 2 . . . A A 545 GLY HA2 . 34428 1 479 . 2 . 2 36 36 GLY HA3 H 1 4.281 0.02 . 2 . . . A A 545 GLY HA3 . 34428 1 480 . 2 . 2 36 36 GLY C C 13 170.347 0.2 . 1 . . . A A 545 GLY C . 34428 1 481 . 2 . 2 36 36 GLY CA C 13 44.745 0.2 . 1 . . . A A 545 GLY CA . 34428 1 482 . 2 . 2 36 36 GLY N N 15 106.276 0.2 . 1 . . . A A 545 GLY N . 34428 1 483 . 2 . 2 37 37 LYS H H 1 8.204 0.02 . 1 . . . A A 546 LYS H . 34428 1 484 . 2 . 2 37 37 LYS HA H 1 4.26 0.02 . 1 . . . A A 546 LYS HA . 34428 1 485 . 2 . 2 37 37 LYS HB2 H 1 1.761 0.02 . 2 . . . A A 546 LYS HB2 . 34428 1 486 . 2 . 2 37 37 LYS HB3 H 1 1.665 0.02 . 2 . . . A A 546 LYS HB3 . 34428 1 487 . 2 . 2 37 37 LYS HG2 H 1 1.484 0.02 . 2 . . . A A 546 LYS HG2 . 34428 1 488 . 2 . 2 37 37 LYS HG3 H 1 1.334 0.02 . 2 . . . A A 546 LYS HG3 . 34428 1 489 . 2 . 2 37 37 LYS C C 13 176.14 0.2 . 1 . . . A A 546 LYS C . 34428 1 490 . 2 . 2 37 37 LYS CA C 13 56.797 0.2 . 1 . . . A A 546 LYS CA . 34428 1 491 . 2 . 2 37 37 LYS CB C 13 33.283 0.2 . 1 . . . A A 546 LYS CB . 34428 1 492 . 2 . 2 37 37 LYS CG C 13 25.481 0.2 . 1 . . . A A 546 LYS CG . 34428 1 493 . 2 . 2 37 37 LYS N N 15 118.522 0.2 . 1 . . . A A 546 LYS N . 34428 1 494 . 2 . 2 38 38 VAL H H 1 8.118 0.02 . 1 . . . A A 547 VAL H . 34428 1 495 . 2 . 2 38 38 VAL HA H 1 4.644 0.02 . 1 . . . A A 547 VAL HA . 34428 1 496 . 2 . 2 38 38 VAL HB H 1 1.972 0.02 . 1 . . . A A 547 VAL HB . 34428 1 497 . 2 . 2 38 38 VAL HG11 H 1 1.137 0.02 . 1 . . . A A 547 VAL HG11 . 34428 1 498 . 2 . 2 38 38 VAL HG12 H 1 1.137 0.02 . 1 . . . A A 547 VAL HG12 . 34428 1 499 . 2 . 2 38 38 VAL HG13 H 1 1.137 0.02 . 1 . . . A A 547 VAL HG13 . 34428 1 500 . 2 . 2 38 38 VAL HG21 H 1 1.155 0.02 . 1 . . . A A 547 VAL HG21 . 34428 1 501 . 2 . 2 38 38 VAL HG22 H 1 1.155 0.02 . 1 . . . A A 547 VAL HG22 . 34428 1 502 . 2 . 2 38 38 VAL HG23 H 1 1.155 0.02 . 1 . . . A A 547 VAL HG23 . 34428 1 503 . 2 . 2 38 38 VAL C C 13 176.189 0.2 . 1 . . . A A 547 VAL C . 34428 1 504 . 2 . 2 38 38 VAL CA C 13 61.688 0.2 . 1 . . . A A 547 VAL CA . 34428 1 505 . 2 . 2 38 38 VAL CB C 13 33.622 0.2 . 1 . . . A A 547 VAL CB . 34428 1 506 . 2 . 2 38 38 VAL CG1 C 13 22.376 0.2 . 1 . . . A A 547 VAL CG1 . 34428 1 507 . 2 . 2 38 38 VAL CG2 C 13 20.884 0.2 . 1 . . . A A 547 VAL CG2 . 34428 1 508 . 2 . 2 38 38 VAL N N 15 129.271 0.2 . 1 . . . A A 547 VAL N . 34428 1 509 . 2 . 2 39 39 THR H H 1 9.165 0.02 . 1 . . . A A 548 THR H . 34428 1 510 . 2 . 2 39 39 THR HA H 1 4.41 0.02 . 1 . . . A A 548 THR HA . 34428 1 511 . 2 . 2 39 39 THR HB H 1 4.245 0.02 . 1 . . . A A 548 THR HB . 34428 1 512 . 2 . 2 39 39 THR HG21 H 1 0.953 0.02 . 1 . . . A A 548 THR HG21 . 34428 1 513 . 2 . 2 39 39 THR HG22 H 1 0.953 0.02 . 1 . . . A A 548 THR HG22 . 34428 1 514 . 2 . 2 39 39 THR HG23 H 1 0.953 0.02 . 1 . . . A A 548 THR HG23 . 34428 1 515 . 2 . 2 39 39 THR C C 13 175.799 0.2 . 1 . . . A A 548 THR C . 34428 1 516 . 2 . 2 39 39 THR CA C 13 62.415 0.2 . 1 . . . A A 548 THR CA . 34428 1 517 . 2 . 2 39 39 THR CB C 13 68.616 0.2 . 1 . . . A A 548 THR CB . 34428 1 518 . 2 . 2 39 39 THR CG2 C 13 23.091 0.2 . 1 . . . A A 548 THR CG2 . 34428 1 519 . 2 . 2 39 39 THR N N 15 115.922 0.2 . 1 . . . A A 548 THR N . 34428 1 520 . 2 . 2 40 40 ASN H H 1 8.206 0.02 . 1 . . . A A 549 ASN H . 34428 1 521 . 2 . 2 40 40 ASN HA H 1 4.97 0.02 . 1 . . . A A 549 ASN HA . 34428 1 522 . 2 . 2 40 40 ASN HB2 H 1 2.191 0.02 . 2 . . . A A 549 ASN HB2 . 34428 1 523 . 2 . 2 40 40 ASN HB3 H 1 2.844 0.02 . 2 . . . A A 549 ASN HB3 . 34428 1 524 . 2 . 2 40 40 ASN HD21 H 1 8.217 0.02 . 2 . . . A A 549 ASN HD21 . 34428 1 525 . 2 . 2 40 40 ASN HD22 H 1 6.426 0.02 . 2 . . . A A 549 ASN HD22 . 34428 1 526 . 2 . 2 40 40 ASN C C 13 172.977 0.2 . 1 . . . A A 549 ASN C . 34428 1 527 . 2 . 2 40 40 ASN CA C 13 52.907 0.2 . 1 . . . A A 549 ASN CA . 34428 1 528 . 2 . 2 40 40 ASN CB C 13 43.925 0.2 . 1 . . . A A 549 ASN CB . 34428 1 529 . 2 . 2 40 40 ASN N N 15 119.054 0.2 . 1 . . . A A 549 ASN N . 34428 1 530 . 2 . 2 40 40 ASN ND2 N 15 110.861 0.2 . 1 . . . A A 549 ASN ND2 . 34428 1 531 . 2 . 2 41 41 TYR H H 1 8.374 0.02 . 1 . . . A A 550 TYR H . 34428 1 532 . 2 . 2 41 41 TYR HA H 1 4.951 0.02 . 1 . . . A A 550 TYR HA . 34428 1 533 . 2 . 2 41 41 TYR HB2 H 1 2.887 0.02 . 2 . . . A A 550 TYR HB2 . 34428 1 534 . 2 . 2 41 41 TYR HB3 H 1 3.004 0.02 . 2 . . . A A 550 TYR HB3 . 34428 1 535 . 2 . 2 41 41 TYR HD1 H 1 6.64 0.02 . 1 . . . A A 550 TYR HD1 . 34428 1 536 . 2 . 2 41 41 TYR HD2 H 1 6.64 0.02 . 1 . . . A A 550 TYR HD2 . 34428 1 537 . 2 . 2 41 41 TYR HE1 H 1 6.796 0.02 . 1 . . . A A 550 TYR HE1 . 34428 1 538 . 2 . 2 41 41 TYR HE2 H 1 6.796 0.02 . 1 . . . A A 550 TYR HE2 . 34428 1 539 . 2 . 2 41 41 TYR C C 13 172.268 0.2 . 1 . . . A A 550 TYR C . 34428 1 540 . 2 . 2 41 41 TYR CA C 13 56.874 0.2 . 1 . . . A A 550 TYR CA . 34428 1 541 . 2 . 2 41 41 TYR CB C 13 41.162 0.2 . 1 . . . A A 550 TYR CB . 34428 1 542 . 2 . 2 41 41 TYR CD1 C 13 132.274 0.2 . 1 . . . A A 550 TYR CD1 . 34428 1 543 . 2 . 2 41 41 TYR CD2 C 13 132.274 0.2 . 1 . . . A A 550 TYR CD2 . 34428 1 544 . 2 . 2 41 41 TYR CE1 C 13 118.263 0.2 . 1 . . . A A 550 TYR CE1 . 34428 1 545 . 2 . 2 41 41 TYR CE2 C 13 118.263 0.2 . 1 . . . A A 550 TYR CE2 . 34428 1 546 . 2 . 2 41 41 TYR N N 15 114.834 0.2 . 1 . . . A A 550 TYR N . 34428 1 547 . 2 . 2 42 42 ILE H H 1 8.486 0.02 . 1 . . . A A 551 ILE H . 34428 1 548 . 2 . 2 42 42 ILE HA H 1 3.837 0.02 . 1 . . . A A 551 ILE HA . 34428 1 549 . 2 . 2 42 42 ILE HB H 1 1.568 0.02 . 1 . . . A A 551 ILE HB . 34428 1 550 . 2 . 2 42 42 ILE HG21 H 1 0.512 0.02 . 1 . . . A A 551 ILE HG21 . 34428 1 551 . 2 . 2 42 42 ILE HG22 H 1 0.512 0.02 . 1 . . . A A 551 ILE HG22 . 34428 1 552 . 2 . 2 42 42 ILE HG23 H 1 0.512 0.02 . 1 . . . A A 551 ILE HG23 . 34428 1 553 . 2 . 2 42 42 ILE HD11 H 1 0.367 0.02 . 1 . . . A A 551 ILE HD11 . 34428 1 554 . 2 . 2 42 42 ILE HD12 H 1 0.367 0.02 . 1 . . . A A 551 ILE HD12 . 34428 1 555 . 2 . 2 42 42 ILE HD13 H 1 0.367 0.02 . 1 . . . A A 551 ILE HD13 . 34428 1 556 . 2 . 2 42 42 ILE C C 13 174.393 0.2 . 1 . . . A A 551 ILE C . 34428 1 557 . 2 . 2 42 42 ILE CA C 13 62.296 0.2 . 1 . . . A A 551 ILE CA . 34428 1 558 . 2 . 2 42 42 ILE CB C 13 44.098 0.2 . 1 . . . A A 551 ILE CB . 34428 1 559 . 2 . 2 42 42 ILE CG1 C 13 28.742 0.2 . 1 . . . A A 551 ILE CG1 . 34428 1 560 . 2 . 2 42 42 ILE CG2 C 13 16.278 0.2 . 1 . . . A A 551 ILE CG2 . 34428 1 561 . 2 . 2 42 42 ILE CD1 C 13 13.169 0.2 . 1 . . . A A 551 ILE CD1 . 34428 1 562 . 2 . 2 42 42 ILE N N 15 117.29 0.2 . 1 . . . A A 551 ILE N . 34428 1 563 . 2 . 2 43 43 LEU H H 1 9.257 0.02 . 1 . . . A A 552 LEU H . 34428 1 564 . 2 . 2 43 43 LEU HA H 1 4.546 0.02 . 1 . . . A A 552 LEU HA . 34428 1 565 . 2 . 2 43 43 LEU HB2 H 1 1.635 0.02 . 2 . . . A A 552 LEU HB2 . 34428 1 566 . 2 . 2 43 43 LEU HB3 H 1 1.914 0.02 . 2 . . . A A 552 LEU HB3 . 34428 1 567 . 2 . 2 43 43 LEU HD11 H 1 0.906 0.02 . 1 . . . A A 552 LEU HD11 . 34428 1 568 . 2 . 2 43 43 LEU HD12 H 1 0.906 0.02 . 1 . . . A A 552 LEU HD12 . 34428 1 569 . 2 . 2 43 43 LEU HD13 H 1 0.906 0.02 . 1 . . . A A 552 LEU HD13 . 34428 1 570 . 2 . 2 43 43 LEU HD21 H 1 0.727 0.02 . 1 . . . A A 552 LEU HD21 . 34428 1 571 . 2 . 2 43 43 LEU HD22 H 1 0.727 0.02 . 1 . . . A A 552 LEU HD22 . 34428 1 572 . 2 . 2 43 43 LEU HD23 H 1 0.727 0.02 . 1 . . . A A 552 LEU HD23 . 34428 1 573 . 2 . 2 43 43 LEU C C 13 175.098 0.2 . 1 . . . A A 552 LEU C . 34428 1 574 . 2 . 2 43 43 LEU CA C 13 53.876 0.2 . 1 . . . A A 552 LEU CA . 34428 1 575 . 2 . 2 43 43 LEU CB C 13 41.592 0.2 . 1 . . . A A 552 LEU CB . 34428 1 576 . 2 . 2 43 43 LEU CG C 13 26.753 0.2 . 1 . . . A A 552 LEU CG . 34428 1 577 . 2 . 2 43 43 LEU CD1 C 13 25.568 0.2 . 1 . . . A A 552 LEU CD1 . 34428 1 578 . 2 . 2 43 43 LEU CD2 C 13 23.278 0.2 . 1 . . . A A 552 LEU CD2 . 34428 1 579 . 2 . 2 43 43 LEU N N 15 126.986 0.2 . 1 . . . A A 552 LEU N . 34428 1 580 . 2 . 2 44 44 MET H H 1 8.432 0.02 . 1 . . . A A 553 MET H . 34428 1 581 . 2 . 2 44 44 MET HA H 1 4.633 0.02 . 1 . . . A A 553 MET HA . 34428 1 582 . 2 . 2 44 44 MET HB2 H 1 1.896 0.02 . 1 . . . A A 553 MET HB2 . 34428 1 583 . 2 . 2 44 44 MET HB3 H 1 1.896 0.02 . 1 . . . A A 553 MET HB3 . 34428 1 584 . 2 . 2 44 44 MET HG2 H 1 2.349 0.02 . 1 . . . A A 553 MET HG2 . 34428 1 585 . 2 . 2 44 44 MET HG3 H 1 2.349 0.02 . 1 . . . A A 553 MET HG3 . 34428 1 586 . 2 . 2 44 44 MET HE1 H 1 1.08 0.02 . 1 . . . A A 553 MET HE1 . 34428 1 587 . 2 . 2 44 44 MET HE2 H 1 1.08 0.02 . 1 . . . A A 553 MET HE2 . 34428 1 588 . 2 . 2 44 44 MET HE3 H 1 1.08 0.02 . 1 . . . A A 553 MET HE3 . 34428 1 589 . 2 . 2 44 44 MET C C 13 175.633 0.2 . 1 . . . A A 553 MET C . 34428 1 590 . 2 . 2 44 44 MET CA C 13 54.002 0.2 . 1 . . . A A 553 MET CA . 34428 1 591 . 2 . 2 44 44 MET CB C 13 31.543 0.2 . 1 . . . A A 553 MET CB . 34428 1 592 . 2 . 2 44 44 MET CE C 13 17.466 0.2 . 1 . . . A A 553 MET CE . 34428 1 593 . 2 . 2 44 44 MET N N 15 126.918 0.2 . 1 . . . A A 553 MET N . 34428 1 594 . 2 . 2 45 45 LYS H H 1 7.504 0.02 . 1 . . . A A 554 LYS H . 34428 1 595 . 2 . 2 45 45 LYS HA H 1 4.169 0.02 . 1 . . . A A 554 LYS HA . 34428 1 596 . 2 . 2 45 45 LYS HB2 H 1 1.956 0.02 . 1 . . . A A 554 LYS HB2 . 34428 1 597 . 2 . 2 45 45 LYS HB3 H 1 1.956 0.02 . 1 . . . A A 554 LYS HB3 . 34428 1 598 . 2 . 2 45 45 LYS HG2 H 1 1.582 0.02 . 1 . . . A A 554 LYS HG2 . 34428 1 599 . 2 . 2 45 45 LYS HG3 H 1 1.582 0.02 . 1 . . . A A 554 LYS HG3 . 34428 1 600 . 2 . 2 45 45 LYS HD2 H 1 1.779 0.02 . 1 . . . A A 554 LYS HD2 . 34428 1 601 . 2 . 2 45 45 LYS HD3 H 1 1.779 0.02 . 1 . . . A A 554 LYS HD3 . 34428 1 602 . 2 . 2 45 45 LYS HE2 H 1 3.105 0.02 . 1 . . . A A 554 LYS HE2 . 34428 1 603 . 2 . 2 45 45 LYS HE3 H 1 3.105 0.02 . 1 . . . A A 554 LYS HE3 . 34428 1 604 . 2 . 2 45 45 LYS C C 13 180.077 0.2 . 1 . . . A A 554 LYS C . 34428 1 605 . 2 . 2 45 45 LYS CA C 13 60.628 0.2 . 1 . . . A A 554 LYS CA . 34428 1 606 . 2 . 2 45 45 LYS CB C 13 32.909 0.2 . 1 . . . A A 554 LYS CB . 34428 1 607 . 2 . 2 45 45 LYS CG C 13 25.705 0.2 . 1 . . . A A 554 LYS CG . 34428 1 608 . 2 . 2 45 45 LYS CD C 13 29.552 0.2 . 1 . . . A A 554 LYS CD . 34428 1 609 . 2 . 2 45 45 LYS CE C 13 42.342 0.2 . 1 . . . A A 554 LYS CE . 34428 1 610 . 2 . 2 45 45 LYS N N 15 121.02 0.2 . 1 . . . A A 554 LYS N . 34428 1 611 . 2 . 2 46 46 SER H H 1 8.927 0.02 . 1 . . . A A 555 SER H . 34428 1 612 . 2 . 2 46 46 SER HA H 1 4.187 0.02 . 1 . . . A A 555 SER HA . 34428 1 613 . 2 . 2 46 46 SER HB2 H 1 3.945 0.02 . 1 . . . A A 555 SER HB2 . 34428 1 614 . 2 . 2 46 46 SER HB3 H 1 3.945 0.02 . 1 . . . A A 555 SER HB3 . 34428 1 615 . 2 . 2 46 46 SER C C 13 175.522 0.2 . 1 . . . A A 555 SER C . 34428 1 616 . 2 . 2 46 46 SER CA C 13 61.52 0.2 . 1 . . . A A 555 SER CA . 34428 1 617 . 2 . 2 46 46 SER CB C 13 62.734 0.2 . 1 . . . A A 555 SER CB . 34428 1 618 . 2 . 2 46 46 SER N N 15 112.841 0.2 . 1 . . . A A 555 SER N . 34428 1 619 . 2 . 2 47 47 THR H H 1 7.209 0.02 . 1 . . . A A 556 THR H . 34428 1 620 . 2 . 2 47 47 THR HA H 1 4.591 0.02 . 1 . . . A A 556 THR HA . 34428 1 621 . 2 . 2 47 47 THR HB H 1 4.583 0.02 . 1 . . . A A 556 THR HB . 34428 1 622 . 2 . 2 47 47 THR HG21 H 1 1.165 0.02 . 1 . . . A A 556 THR HG21 . 34428 1 623 . 2 . 2 47 47 THR HG22 H 1 1.165 0.02 . 1 . . . A A 556 THR HG22 . 34428 1 624 . 2 . 2 47 47 THR HG23 H 1 1.165 0.02 . 1 . . . A A 556 THR HG23 . 34428 1 625 . 2 . 2 47 47 THR C C 13 174.142 0.2 . 1 . . . A A 556 THR C . 34428 1 626 . 2 . 2 47 47 THR CA C 13 60.337 0.2 . 1 . . . A A 556 THR CA . 34428 1 627 . 2 . 2 47 47 THR CB C 13 68.758 0.2 . 1 . . . A A 556 THR CB . 34428 1 628 . 2 . 2 47 47 THR CG2 C 13 21.904 0.2 . 1 . . . A A 556 THR CG2 . 34428 1 629 . 2 . 2 47 47 THR N N 15 107.726 0.2 . 1 . . . A A 556 THR N . 34428 1 630 . 2 . 2 48 48 ASN H H 1 7.857 0.02 . 1 . . . A A 557 ASN H . 34428 1 631 . 2 . 2 48 48 ASN HA H 1 4.219 0.02 . 1 . . . A A 557 ASN HA . 34428 1 632 . 2 . 2 48 48 ASN HB2 H 1 2.997 0.02 . 2 . . . A A 557 ASN HB2 . 34428 1 633 . 2 . 2 48 48 ASN HB3 H 1 3.492 0.02 . 2 . . . A A 557 ASN HB3 . 34428 1 634 . 2 . 2 48 48 ASN HD21 H 1 7.42 0.02 . 2 . . . A A 557 ASN HD21 . 34428 1 635 . 2 . 2 48 48 ASN HD22 H 1 6.811 0.02 . 2 . . . A A 557 ASN HD22 . 34428 1 636 . 2 . 2 48 48 ASN C C 13 173.049 0.2 . 1 . . . A A 557 ASN C . 34428 1 637 . 2 . 2 48 48 ASN CA C 13 55.424 0.2 . 1 . . . A A 557 ASN CA . 34428 1 638 . 2 . 2 48 48 ASN CB C 13 36.703 0.2 . 1 . . . A A 557 ASN CB . 34428 1 639 . 2 . 2 48 48 ASN N N 15 118.338 0.2 . 1 . . . A A 557 ASN N . 34428 1 640 . 2 . 2 48 48 ASN ND2 N 15 112.642 0.2 . 1 . . . A A 557 ASN ND2 . 34428 1 641 . 2 . 2 49 49 GLN H H 1 7.797 0.02 . 1 . . . A A 558 GLN H . 34428 1 642 . 2 . 2 49 49 GLN HA H 1 5.2 0.02 . 1 . . . A A 558 GLN HA . 34428 1 643 . 2 . 2 49 49 GLN HB2 H 1 1.953 0.02 . 2 . . . A A 558 GLN HB2 . 34428 1 644 . 2 . 2 49 49 GLN HB3 H 1 1.925 0.02 . 2 . . . A A 558 GLN HB3 . 34428 1 645 . 2 . 2 49 49 GLN HG2 H 1 2.42 0.02 . 1 . . . A A 558 GLN HG2 . 34428 1 646 . 2 . 2 49 49 GLN HG3 H 1 2.42 0.02 . 1 . . . A A 558 GLN HG3 . 34428 1 647 . 2 . 2 49 49 GLN HE21 H 1 8.183 0.02 . 2 . . . A A 558 GLN HE21 . 34428 1 648 . 2 . 2 49 49 GLN HE22 H 1 7.006 0.02 . 2 . . . A A 558 GLN HE22 . 34428 1 649 . 2 . 2 49 49 GLN C C 13 173.613 0.2 . 1 . . . A A 558 GLN C . 34428 1 650 . 2 . 2 49 49 GLN CA C 13 53.926 0.2 . 1 . . . A A 558 GLN CA . 34428 1 651 . 2 . 2 49 49 GLN CB C 13 33.7 0.2 . 1 . . . A A 558 GLN CB . 34428 1 652 . 2 . 2 49 49 GLN CG C 13 33.569 0.2 . 1 . . . A A 558 GLN CG . 34428 1 653 . 2 . 2 49 49 GLN N N 15 112.989 0.2 . 1 . . . A A 558 GLN N . 34428 1 654 . 2 . 2 49 49 GLN NE2 N 15 112.235 0.2 . 1 . . . A A 558 GLN NE2 . 34428 1 655 . 2 . 2 50 50 ALA H H 1 8.941 0.02 . 1 . . . A A 559 ALA H . 34428 1 656 . 2 . 2 50 50 ALA HA H 1 4.811 0.02 . 1 . . . A A 559 ALA HA . 34428 1 657 . 2 . 2 50 50 ALA HB1 H 1 1.241 0.02 . 1 . . . A A 559 ALA HB1 . 34428 1 658 . 2 . 2 50 50 ALA HB2 H 1 1.241 0.02 . 1 . . . A A 559 ALA HB2 . 34428 1 659 . 2 . 2 50 50 ALA HB3 H 1 1.241 0.02 . 1 . . . A A 559 ALA HB3 . 34428 1 660 . 2 . 2 50 50 ALA C C 13 174.872 0.2 . 1 . . . A A 559 ALA C . 34428 1 661 . 2 . 2 50 50 ALA CA C 13 51.891 0.2 . 1 . . . A A 559 ALA CA . 34428 1 662 . 2 . 2 50 50 ALA CB C 13 24.623 0.2 . 1 . . . A A 559 ALA CB . 34428 1 663 . 2 . 2 50 50 ALA N N 15 118.936 0.2 . 1 . . . A A 559 ALA N . 34428 1 664 . 2 . 2 51 51 PHE H H 1 9.034 0.02 . 1 . . . A A 560 PHE H . 34428 1 665 . 2 . 2 51 51 PHE HA H 1 5.914 0.02 . 1 . . . A A 560 PHE HA . 34428 1 666 . 2 . 2 51 51 PHE HB2 H 1 2.901 0.02 . 2 . . . A A 560 PHE HB2 . 34428 1 667 . 2 . 2 51 51 PHE HB3 H 1 2.488 0.02 . 2 . . . A A 560 PHE HB3 . 34428 1 668 . 2 . 2 51 51 PHE HD1 H 1 7.049 0.02 . 1 . . . A A 560 PHE HD1 . 34428 1 669 . 2 . 2 51 51 PHE HD2 H 1 7.049 0.02 . 1 . . . A A 560 PHE HD2 . 34428 1 670 . 2 . 2 51 51 PHE HE1 H 1 7.417 0.02 . 1 . . . A A 560 PHE HE1 . 34428 1 671 . 2 . 2 51 51 PHE HE2 H 1 7.417 0.02 . 1 . . . A A 560 PHE HE2 . 34428 1 672 . 2 . 2 51 51 PHE HZ H 1 7.681 0.02 . 1 . . . A A 560 PHE HZ . 34428 1 673 . 2 . 2 51 51 PHE C C 13 175.87 0.2 . 1 . . . A A 560 PHE C . 34428 1 674 . 2 . 2 51 51 PHE CA C 13 55.298 0.2 . 1 . . . A A 560 PHE CA . 34428 1 675 . 2 . 2 51 51 PHE CB C 13 44.517 0.2 . 1 . . . A A 560 PHE CB . 34428 1 676 . 2 . 2 51 51 PHE CD1 C 13 131.371 0.2 . 1 . . . A A 560 PHE CD1 . 34428 1 677 . 2 . 2 51 51 PHE CD2 C 13 131.371 0.2 . 1 . . . A A 560 PHE CD2 . 34428 1 678 . 2 . 2 51 51 PHE CE1 C 13 131.235 0.2 . 1 . . . A A 560 PHE CE1 . 34428 1 679 . 2 . 2 51 51 PHE CE2 C 13 131.235 0.2 . 1 . . . A A 560 PHE CE2 . 34428 1 680 . 2 . 2 51 51 PHE CZ C 13 129.953 0.2 . 1 . . . A A 560 PHE CZ . 34428 1 681 . 2 . 2 51 51 PHE N N 15 114.264 0.2 . 1 . . . A A 560 PHE N . 34428 1 682 . 2 . 2 52 52 LEU H H 1 9.224 0.02 . 1 . . . A A 561 LEU H . 34428 1 683 . 2 . 2 52 52 LEU HA H 1 4.812 0.02 . 1 . . . A A 561 LEU HA . 34428 1 684 . 2 . 2 52 52 LEU HB2 H 1 1.264 0.02 . 2 . . . A A 561 LEU HB2 . 34428 1 685 . 2 . 2 52 52 LEU HB3 H 1 1.621 0.02 . 2 . . . A A 561 LEU HB3 . 34428 1 686 . 2 . 2 52 52 LEU HG H 1 1.539 0.02 . 1 . . . A A 561 LEU HG . 34428 1 687 . 2 . 2 52 52 LEU HD11 H 1 0.987 0.02 . 1 . . . A A 561 LEU HD11 . 34428 1 688 . 2 . 2 52 52 LEU HD12 H 1 0.987 0.02 . 1 . . . A A 561 LEU HD12 . 34428 1 689 . 2 . 2 52 52 LEU HD13 H 1 0.987 0.02 . 1 . . . A A 561 LEU HD13 . 34428 1 690 . 2 . 2 52 52 LEU HD21 H 1 0.947 0.02 . 1 . . . A A 561 LEU HD21 . 34428 1 691 . 2 . 2 52 52 LEU HD22 H 1 0.947 0.02 . 1 . . . A A 561 LEU HD22 . 34428 1 692 . 2 . 2 52 52 LEU HD23 H 1 0.947 0.02 . 1 . . . A A 561 LEU HD23 . 34428 1 693 . 2 . 2 52 52 LEU C C 13 173.636 0.2 . 1 . . . A A 561 LEU C . 34428 1 694 . 2 . 2 52 52 LEU CA C 13 53.964 0.2 . 1 . . . A A 561 LEU CA . 34428 1 695 . 2 . 2 52 52 LEU CB C 13 46.979 0.2 . 1 . . . A A 561 LEU CB . 34428 1 696 . 2 . 2 52 52 LEU CG C 13 26.783 0.2 . 1 . . . A A 561 LEU CG . 34428 1 697 . 2 . 2 52 52 LEU CD1 C 13 26.352 0.2 . 1 . . . A A 561 LEU CD1 . 34428 1 698 . 2 . 2 52 52 LEU CD2 C 13 26.338 0.2 . 1 . . . A A 561 LEU CD2 . 34428 1 699 . 2 . 2 52 52 LEU N N 15 120.159 0.2 . 1 . . . A A 561 LEU N . 34428 1 700 . 2 . 2 53 53 GLU H H 1 8.826 0.02 . 1 . . . A A 562 GLU H . 34428 1 701 . 2 . 2 53 53 GLU HA H 1 5.012 0.02 . 1 . . . A A 562 GLU HA . 34428 1 702 . 2 . 2 53 53 GLU HB2 H 1 1.349 0.02 . 2 . . . A A 562 GLU HB2 . 34428 1 703 . 2 . 2 53 53 GLU HB3 H 1 2.106 0.02 . 2 . . . A A 562 GLU HB3 . 34428 1 704 . 2 . 2 53 53 GLU HG2 H 1 1.806 0.02 . 2 . . . A A 562 GLU HG2 . 34428 1 705 . 2 . 2 53 53 GLU HG3 H 1 2.19 0.02 . 2 . . . A A 562 GLU HG3 . 34428 1 706 . 2 . 2 53 53 GLU C C 13 174.434 0.2 . 1 . . . A A 562 GLU C . 34428 1 707 . 2 . 2 53 53 GLU CA C 13 54.436 0.2 . 1 . . . A A 562 GLU CA . 34428 1 708 . 2 . 2 53 53 GLU CB C 13 33.899 0.2 . 1 . . . A A 562 GLU CB . 34428 1 709 . 2 . 2 53 53 GLU CG C 13 38.324 0.2 . 1 . . . A A 562 GLU CG . 34428 1 710 . 2 . 2 53 53 GLU N N 15 126.267 0.2 . 1 . . . A A 562 GLU N . 34428 1 711 . 2 . 2 54 54 MET H H 1 8.703 0.02 . 1 . . . A A 563 MET H . 34428 1 712 . 2 . 2 54 54 MET HA H 1 5.516 0.02 . 1 . . . A A 563 MET HA . 34428 1 713 . 2 . 2 54 54 MET HB2 H 1 1.903 0.02 . 1 . . . A A 563 MET HB2 . 34428 1 714 . 2 . 2 54 54 MET HB3 H 1 1.903 0.02 . 1 . . . A A 563 MET HB3 . 34428 1 715 . 2 . 2 54 54 MET HG2 H 1 2.536 0.02 . 2 . . . A A 563 MET HG2 . 34428 1 716 . 2 . 2 54 54 MET HG3 H 1 2.227 0.02 . 2 . . . A A 563 MET HG3 . 34428 1 717 . 2 . 2 54 54 MET HE1 H 1 2.003 0.02 . 1 . . . A A 563 MET HE1 . 34428 1 718 . 2 . 2 54 54 MET HE2 H 1 2.003 0.02 . 1 . . . A A 563 MET HE2 . 34428 1 719 . 2 . 2 54 54 MET HE3 H 1 2.003 0.02 . 1 . . . A A 563 MET HE3 . 34428 1 720 . 2 . 2 54 54 MET C C 13 177.969 0.2 . 1 . . . A A 563 MET C . 34428 1 721 . 2 . 2 54 54 MET CA C 13 51.728 0.2 . 1 . . . A A 563 MET CA . 34428 1 722 . 2 . 2 54 54 MET CB C 13 32.52 0.2 . 1 . . . A A 563 MET CB . 34428 1 723 . 2 . 2 54 54 MET CG C 13 32.025 0.2 . 1 . . . A A 563 MET CG . 34428 1 724 . 2 . 2 54 54 MET CE C 13 18.19 0.2 . 1 . . . A A 563 MET CE . 34428 1 725 . 2 . 2 54 54 MET N N 15 123.733 0.2 . 1 . . . A A 563 MET N . 34428 1 726 . 2 . 2 55 55 ALA H H 1 8.474 0.02 . 1 . . . A A 564 ALA H . 34428 1 727 . 2 . 2 55 55 ALA HA H 1 3.803 0.02 . 1 . . . A A 564 ALA HA . 34428 1 728 . 2 . 2 55 55 ALA HB1 H 1 1.14 0.02 . 1 . . . A A 564 ALA HB1 . 34428 1 729 . 2 . 2 55 55 ALA HB2 H 1 1.14 0.02 . 1 . . . A A 564 ALA HB2 . 34428 1 730 . 2 . 2 55 55 ALA HB3 H 1 1.14 0.02 . 1 . . . A A 564 ALA HB3 . 34428 1 731 . 2 . 2 55 55 ALA C C 13 176.66 0.2 . 1 . . . A A 564 ALA C . 34428 1 732 . 2 . 2 55 55 ALA CA C 13 55.232 0.2 . 1 . . . A A 564 ALA CA . 34428 1 733 . 2 . 2 55 55 ALA CB C 13 18.884 0.2 . 1 . . . A A 564 ALA CB . 34428 1 734 . 2 . 2 55 55 ALA N N 15 121.232 0.2 . 1 . . . A A 564 ALA N . 34428 1 735 . 2 . 2 56 56 TYR H H 1 7.485 0.02 . 1 . . . A A 565 TYR H . 34428 1 736 . 2 . 2 56 56 TYR HA H 1 5.067 0.02 . 1 . . . A A 565 TYR HA . 34428 1 737 . 2 . 2 56 56 TYR HB2 H 1 3.666 0.02 . 2 . . . A A 565 TYR HB2 . 34428 1 738 . 2 . 2 56 56 TYR HB3 H 1 2.797 0.02 . 2 . . . A A 565 TYR HB3 . 34428 1 739 . 2 . 2 56 56 TYR HD1 H 1 7.321 0.02 . 1 . . . A A 565 TYR HD1 . 34428 1 740 . 2 . 2 56 56 TYR HD2 H 1 7.321 0.02 . 1 . . . A A 565 TYR HD2 . 34428 1 741 . 2 . 2 56 56 TYR HE1 H 1 6.893 0.02 . 1 . . . A A 565 TYR HE1 . 34428 1 742 . 2 . 2 56 56 TYR HE2 H 1 6.893 0.02 . 1 . . . A A 565 TYR HE2 . 34428 1 743 . 2 . 2 56 56 TYR C C 13 177.026 0.2 . 1 . . . A A 565 TYR C . 34428 1 744 . 2 . 2 56 56 TYR CA C 13 55.599 0.2 . 1 . . . A A 565 TYR CA . 34428 1 745 . 2 . 2 56 56 TYR CB C 13 41.333 0.2 . 1 . . . A A 565 TYR CB . 34428 1 746 . 2 . 2 56 56 TYR CD1 C 13 133.895 0.2 . 1 . . . A A 565 TYR CD1 . 34428 1 747 . 2 . 2 56 56 TYR CD2 C 13 133.895 0.2 . 1 . . . A A 565 TYR CD2 . 34428 1 748 . 2 . 2 56 56 TYR CE1 C 13 118.049 0.2 . 1 . . . A A 565 TYR CE1 . 34428 1 749 . 2 . 2 56 56 TYR CE2 C 13 118.049 0.2 . 1 . . . A A 565 TYR CE2 . 34428 1 750 . 2 . 2 56 56 TYR N N 15 109.482 0.2 . 1 . . . A A 565 TYR N . 34428 1 751 . 2 . 2 57 57 THR H H 1 9.462 0.02 . 1 . . . A A 566 THR H . 34428 1 752 . 2 . 2 57 57 THR HA H 1 4.157 0.02 . 1 . . . A A 566 THR HA . 34428 1 753 . 2 . 2 57 57 THR HB H 1 4.059 0.02 . 1 . . . A A 566 THR HB . 34428 1 754 . 2 . 2 57 57 THR HG21 H 1 1.294 0.02 . 1 . . . A A 566 THR HG21 . 34428 1 755 . 2 . 2 57 57 THR HG22 H 1 1.294 0.02 . 1 . . . A A 566 THR HG22 . 34428 1 756 . 2 . 2 57 57 THR HG23 H 1 1.294 0.02 . 1 . . . A A 566 THR HG23 . 34428 1 757 . 2 . 2 57 57 THR C C 13 176.444 0.2 . 1 . . . A A 566 THR C . 34428 1 758 . 2 . 2 57 57 THR CA C 13 65.241 0.2 . 1 . . . A A 566 THR CA . 34428 1 759 . 2 . 2 57 57 THR CB C 13 68.696 0.2 . 1 . . . A A 566 THR CB . 34428 1 760 . 2 . 2 57 57 THR CG2 C 13 20.436 0.2 . 1 . . . A A 566 THR CG2 . 34428 1 761 . 2 . 2 57 57 THR N N 15 120.316 0.2 . 1 . . . A A 566 THR N . 34428 1 762 . 2 . 2 58 58 GLU H H 1 9.765 0.02 . 1 . . . A A 567 GLU H . 34428 1 763 . 2 . 2 58 58 GLU HA H 1 4.002 0.02 . 1 . . . A A 567 GLU HA . 34428 1 764 . 2 . 2 58 58 GLU HB2 H 1 2.039 0.02 . 2 . . . A A 567 GLU HB2 . 34428 1 765 . 2 . 2 58 58 GLU HB3 H 1 2.096 0.02 . 2 . . . A A 567 GLU HB3 . 34428 1 766 . 2 . 2 58 58 GLU HG2 H 1 2.329 0.02 . 2 . . . A A 567 GLU HG2 . 34428 1 767 . 2 . 2 58 58 GLU HG3 H 1 2.58 0.02 . 2 . . . A A 567 GLU HG3 . 34428 1 768 . 2 . 2 58 58 GLU C C 13 178.859 0.2 . 1 . . . A A 567 GLU C . 34428 1 769 . 2 . 2 58 58 GLU CA C 13 61.261 0.2 . 1 . . . A A 567 GLU CA . 34428 1 770 . 2 . 2 58 58 GLU CB C 13 28.296 0.2 . 1 . . . A A 567 GLU CB . 34428 1 771 . 2 . 2 58 58 GLU CG C 13 37.312 0.2 . 1 . . . A A 567 GLU CG . 34428 1 772 . 2 . 2 58 58 GLU N N 15 121.638 0.2 . 1 . . . A A 567 GLU N . 34428 1 773 . 2 . 2 59 59 ALA H H 1 6.99 0.02 . 1 . . . A A 568 ALA H . 34428 1 774 . 2 . 2 59 59 ALA HA H 1 4.454 0.02 . 1 . . . A A 568 ALA HA . 34428 1 775 . 2 . 2 59 59 ALA HB1 H 1 1.656 0.02 . 1 . . . A A 568 ALA HB1 . 34428 1 776 . 2 . 2 59 59 ALA HB2 H 1 1.656 0.02 . 1 . . . A A 568 ALA HB2 . 34428 1 777 . 2 . 2 59 59 ALA HB3 H 1 1.656 0.02 . 1 . . . A A 568 ALA HB3 . 34428 1 778 . 2 . 2 59 59 ALA C C 13 178.787 0.2 . 1 . . . A A 568 ALA C . 34428 1 779 . 2 . 2 59 59 ALA CA C 13 54.585 0.2 . 1 . . . A A 568 ALA CA . 34428 1 780 . 2 . 2 59 59 ALA CB C 13 20.221 0.2 . 1 . . . A A 568 ALA CB . 34428 1 781 . 2 . 2 59 59 ALA N N 15 121.602 0.2 . 1 . . . A A 568 ALA N . 34428 1 782 . 2 . 2 60 60 ALA H H 1 7.107 0.02 . 1 . . . A A 569 ALA H . 34428 1 783 . 2 . 2 60 60 ALA HA H 1 3.849 0.02 . 1 . . . A A 569 ALA HA . 34428 1 784 . 2 . 2 60 60 ALA HB1 H 1 1.381 0.02 . 1 . . . A A 569 ALA HB1 . 34428 1 785 . 2 . 2 60 60 ALA HB2 H 1 1.381 0.02 . 1 . . . A A 569 ALA HB2 . 34428 1 786 . 2 . 2 60 60 ALA HB3 H 1 1.381 0.02 . 1 . . . A A 569 ALA HB3 . 34428 1 787 . 2 . 2 60 60 ALA C C 13 177.875 0.2 . 1 . . . A A 569 ALA C . 34428 1 788 . 2 . 2 60 60 ALA CA C 13 55.403 0.2 . 1 . . . A A 569 ALA CA . 34428 1 789 . 2 . 2 60 60 ALA CB C 13 17.747 0.2 . 1 . . . A A 569 ALA CB . 34428 1 790 . 2 . 2 60 60 ALA N N 15 119.918 0.2 . 1 . . . A A 569 ALA N . 34428 1 791 . 2 . 2 61 61 GLN H H 1 8.396 0.02 . 1 . . . A A 570 GLN H . 34428 1 792 . 2 . 2 61 61 GLN HA H 1 3.971 0.02 . 1 . . . A A 570 GLN HA . 34428 1 793 . 2 . 2 61 61 GLN HB2 H 1 2.148 0.02 . 1 . . . A A 570 GLN HB2 . 34428 1 794 . 2 . 2 61 61 GLN HB3 H 1 2.148 0.02 . 1 . . . A A 570 GLN HB3 . 34428 1 795 . 2 . 2 61 61 GLN HG2 H 1 2.339 0.02 . 2 . . . A A 570 GLN HG2 . 34428 1 796 . 2 . 2 61 61 GLN HG3 H 1 2.547 0.02 . 2 . . . A A 570 GLN HG3 . 34428 1 797 . 2 . 2 61 61 GLN HE21 H 1 7.538 0.02 . 2 . . . A A 570 GLN HE21 . 34428 1 798 . 2 . 2 61 61 GLN HE22 H 1 7.026 0.02 . 2 . . . A A 570 GLN HE22 . 34428 1 799 . 2 . 2 61 61 GLN C C 13 178.996 0.2 . 1 . . . A A 570 GLN C . 34428 1 800 . 2 . 2 61 61 GLN CA C 13 59.151 0.2 . 1 . . . A A 570 GLN CA . 34428 1 801 . 2 . 2 61 61 GLN CB C 13 28.928 0.2 . 1 . . . A A 570 GLN CB . 34428 1 802 . 2 . 2 61 61 GLN CG C 13 34.634 0.2 . 1 . . . A A 570 GLN CG . 34428 1 803 . 2 . 2 61 61 GLN N N 15 114.668 0.2 . 1 . . . A A 570 GLN N . 34428 1 804 . 2 . 2 61 61 GLN NE2 N 15 113.192 0.2 . 1 . . . A A 570 GLN NE2 . 34428 1 805 . 2 . 2 62 62 ALA H H 1 8.119 0.02 . 1 . . . A A 571 ALA H . 34428 1 806 . 2 . 2 62 62 ALA HA H 1 4.082 0.02 . 1 . . . A A 571 ALA HA . 34428 1 807 . 2 . 2 62 62 ALA HB1 H 1 1.677 0.02 . 1 . . . A A 571 ALA HB1 . 34428 1 808 . 2 . 2 62 62 ALA HB2 H 1 1.677 0.02 . 1 . . . A A 571 ALA HB2 . 34428 1 809 . 2 . 2 62 62 ALA HB3 H 1 1.677 0.02 . 1 . . . A A 571 ALA HB3 . 34428 1 810 . 2 . 2 62 62 ALA C C 13 179.849 0.2 . 1 . . . A A 571 ALA C . 34428 1 811 . 2 . 2 62 62 ALA CA C 13 55.045 0.2 . 1 . . . A A 571 ALA CA . 34428 1 812 . 2 . 2 62 62 ALA CB C 13 18.323 0.2 . 1 . . . A A 571 ALA CB . 34428 1 813 . 2 . 2 62 62 ALA N N 15 122.332 0.2 . 1 . . . A A 571 ALA N . 34428 1 814 . 2 . 2 63 63 MET H H 1 7.802 0.02 . 1 . . . A A 572 MET H . 34428 1 815 . 2 . 2 63 63 MET HA H 1 2.059 0.02 . 1 . . . A A 572 MET HA . 34428 1 816 . 2 . 2 63 63 MET HB2 H 1 2.207 0.02 . 1 . . . A A 572 MET HB2 . 34428 1 817 . 2 . 2 63 63 MET HB3 H 1 2.207 0.02 . 1 . . . A A 572 MET HB3 . 34428 1 818 . 2 . 2 63 63 MET HG2 H 1 2.611 0.02 . 1 . . . A A 572 MET HG2 . 34428 1 819 . 2 . 2 63 63 MET HG3 H 1 2.611 0.02 . 1 . . . A A 572 MET HG3 . 34428 1 820 . 2 . 2 63 63 MET HE1 H 1 1.884 0.02 . 1 . . . A A 572 MET HE1 . 34428 1 821 . 2 . 2 63 63 MET HE2 H 1 1.884 0.02 . 1 . . . A A 572 MET HE2 . 34428 1 822 . 2 . 2 63 63 MET HE3 H 1 1.884 0.02 . 1 . . . A A 572 MET HE3 . 34428 1 823 . 2 . 2 63 63 MET C C 13 176.476 0.2 . 1 . . . A A 572 MET C . 34428 1 824 . 2 . 2 63 63 MET CA C 13 58.561 0.2 . 1 . . . A A 572 MET CA . 34428 1 825 . 2 . 2 63 63 MET CB C 13 32.392 0.2 . 1 . . . A A 572 MET CB . 34428 1 826 . 2 . 2 63 63 MET CG C 13 32.347 0.2 . 1 . . . A A 572 MET CG . 34428 1 827 . 2 . 2 63 63 MET CE C 13 16.88 0.2 . 1 . . . A A 572 MET CE . 34428 1 828 . 2 . 2 63 63 MET N N 15 120.533 0.2 . 1 . . . A A 572 MET N . 34428 1 829 . 2 . 2 64 64 VAL H H 1 7.706 0.02 . 1 . . . A A 573 VAL H . 34428 1 830 . 2 . 2 64 64 VAL HA H 1 3.423 0.02 . 1 . . . A A 573 VAL HA . 34428 1 831 . 2 . 2 64 64 VAL HB H 1 2.075 0.02 . 1 . . . A A 573 VAL HB . 34428 1 832 . 2 . 2 64 64 VAL HG11 H 1 1.071 0.02 . 1 . . . A A 573 VAL HG11 . 34428 1 833 . 2 . 2 64 64 VAL HG12 H 1 1.071 0.02 . 1 . . . A A 573 VAL HG12 . 34428 1 834 . 2 . 2 64 64 VAL HG13 H 1 1.071 0.02 . 1 . . . A A 573 VAL HG13 . 34428 1 835 . 2 . 2 64 64 VAL HG21 H 1 0.994 0.02 . 1 . . . A A 573 VAL HG21 . 34428 1 836 . 2 . 2 64 64 VAL HG22 H 1 0.994 0.02 . 1 . . . A A 573 VAL HG22 . 34428 1 837 . 2 . 2 64 64 VAL HG23 H 1 0.994 0.02 . 1 . . . A A 573 VAL HG23 . 34428 1 838 . 2 . 2 64 64 VAL C C 13 178.687 0.2 . 1 . . . A A 573 VAL C . 34428 1 839 . 2 . 2 64 64 VAL CA C 13 67.005 0.2 . 1 . . . A A 573 VAL CA . 34428 1 840 . 2 . 2 64 64 VAL CB C 13 31.852 0.2 . 1 . . . A A 573 VAL CB . 34428 1 841 . 2 . 2 64 64 VAL CG1 C 13 21.569 0.2 . 1 . . . A A 573 VAL CG1 . 34428 1 842 . 2 . 2 64 64 VAL CG2 C 13 24.733 0.2 . 1 . . . A A 573 VAL CG2 . 34428 1 843 . 2 . 2 64 64 VAL N N 15 117.37 0.2 . 1 . . . A A 573 VAL N . 34428 1 844 . 2 . 2 65 65 GLN H H 1 8.141 0.02 . 1 . . . A A 574 GLN H . 34428 1 845 . 2 . 2 65 65 GLN HA H 1 3.969 0.02 . 1 . . . A A 574 GLN HA . 34428 1 846 . 2 . 2 65 65 GLN HB2 H 1 2.127 0.02 . 1 . . . A A 574 GLN HB2 . 34428 1 847 . 2 . 2 65 65 GLN HB3 H 1 2.127 0.02 . 1 . . . A A 574 GLN HB3 . 34428 1 848 . 2 . 2 65 65 GLN HG2 H 1 2.44 0.02 . 1 . . . A A 574 GLN HG2 . 34428 1 849 . 2 . 2 65 65 GLN HG3 H 1 2.44 0.02 . 1 . . . A A 574 GLN HG3 . 34428 1 850 . 2 . 2 65 65 GLN HE21 H 1 7.636 0.02 . 2 . . . A A 574 GLN HE21 . 34428 1 851 . 2 . 2 65 65 GLN HE22 H 1 6.828 0.02 . 2 . . . A A 574 GLN HE22 . 34428 1 852 . 2 . 2 65 65 GLN C C 13 178.212 0.2 . 1 . . . A A 574 GLN C . 34428 1 853 . 2 . 2 65 65 GLN CA C 13 59.006 0.2 . 1 . . . A A 574 GLN CA . 34428 1 854 . 2 . 2 65 65 GLN CB C 13 28.372 0.2 . 1 . . . A A 574 GLN CB . 34428 1 855 . 2 . 2 65 65 GLN CG C 13 33.584 0.2 . 1 . . . A A 574 GLN CG . 34428 1 856 . 2 . 2 65 65 GLN N N 15 118.753 0.2 . 1 . . . A A 574 GLN N . 34428 1 857 . 2 . 2 65 65 GLN NE2 N 15 112.294 0.2 . 1 . . . A A 574 GLN NE2 . 34428 1 858 . 2 . 2 66 66 TYR H H 1 8.112 0.02 . 1 . . . A A 575 TYR H . 34428 1 859 . 2 . 2 66 66 TYR HA H 1 4.02 0.02 . 1 . . . A A 575 TYR HA . 34428 1 860 . 2 . 2 66 66 TYR HB2 H 1 2.637 0.02 . 2 . . . A A 575 TYR HB2 . 34428 1 861 . 2 . 2 66 66 TYR HB3 H 1 2.979 0.02 . 2 . . . A A 575 TYR HB3 . 34428 1 862 . 2 . 2 66 66 TYR HD1 H 1 6.457 0.02 . 1 . . . A A 575 TYR HD1 . 34428 1 863 . 2 . 2 66 66 TYR HD2 H 1 6.457 0.02 . 1 . . . A A 575 TYR HD2 . 34428 1 864 . 2 . 2 66 66 TYR HE1 H 1 6.763 0.02 . 1 . . . A A 575 TYR HE1 . 34428 1 865 . 2 . 2 66 66 TYR HE2 H 1 6.763 0.02 . 1 . . . A A 575 TYR HE2 . 34428 1 866 . 2 . 2 66 66 TYR C C 13 178.141 0.2 . 1 . . . A A 575 TYR C . 34428 1 867 . 2 . 2 66 66 TYR CA C 13 62.308 0.2 . 1 . . . A A 575 TYR CA . 34428 1 868 . 2 . 2 66 66 TYR CB C 13 38.815 0.2 . 1 . . . A A 575 TYR CB . 34428 1 869 . 2 . 2 66 66 TYR CD1 C 13 133.786 0.2 . 1 . . . A A 575 TYR CD1 . 34428 1 870 . 2 . 2 66 66 TYR CD2 C 13 133.786 0.2 . 1 . . . A A 575 TYR CD2 . 34428 1 871 . 2 . 2 66 66 TYR CE1 C 13 118.142 0.2 . 1 . . . A A 575 TYR CE1 . 34428 1 872 . 2 . 2 66 66 TYR CE2 C 13 118.142 0.2 . 1 . . . A A 575 TYR CE2 . 34428 1 873 . 2 . 2 66 66 TYR N N 15 120.606 0.2 . 1 . . . A A 575 TYR N . 34428 1 874 . 2 . 2 67 67 TYR H H 1 7.772 0.02 . 1 . . . A A 576 TYR H . 34428 1 875 . 2 . 2 67 67 TYR HA H 1 4.814 0.02 . 1 . . . A A 576 TYR HA . 34428 1 876 . 2 . 2 67 67 TYR HB2 H 1 2.806 0.02 . 2 . . . A A 576 TYR HB2 . 34428 1 877 . 2 . 2 67 67 TYR HB3 H 1 3.433 0.02 . 2 . . . A A 576 TYR HB3 . 34428 1 878 . 2 . 2 67 67 TYR HD1 H 1 7.522 0.02 . 1 . . . A A 576 TYR HD1 . 34428 1 879 . 2 . 2 67 67 TYR HD2 H 1 7.522 0.02 . 1 . . . A A 576 TYR HD2 . 34428 1 880 . 2 . 2 67 67 TYR HE1 H 1 7.041 0.02 . 1 . . . A A 576 TYR HE1 . 34428 1 881 . 2 . 2 67 67 TYR HE2 H 1 7.041 0.02 . 1 . . . A A 576 TYR HE2 . 34428 1 882 . 2 . 2 67 67 TYR C C 13 176.801 0.2 . 1 . . . A A 576 TYR C . 34428 1 883 . 2 . 2 67 67 TYR CA C 13 59.465 0.2 . 1 . . . A A 576 TYR CA . 34428 1 884 . 2 . 2 67 67 TYR CB C 13 37.848 0.2 . 1 . . . A A 576 TYR CB . 34428 1 885 . 2 . 2 67 67 TYR CD1 C 13 134.685 0.2 . 1 . . . A A 576 TYR CD1 . 34428 1 886 . 2 . 2 67 67 TYR CD2 C 13 134.685 0.2 . 1 . . . A A 576 TYR CD2 . 34428 1 887 . 2 . 2 67 67 TYR CE1 C 13 116.744 0.2 . 1 . . . A A 576 TYR CE1 . 34428 1 888 . 2 . 2 67 67 TYR CE2 C 13 116.744 0.2 . 1 . . . A A 576 TYR CE2 . 34428 1 889 . 2 . 2 67 67 TYR N N 15 115.701 0.2 . 1 . . . A A 576 TYR N . 34428 1 890 . 2 . 2 68 68 GLN H H 1 7.623 0.02 . 1 . . . A A 577 GLN H . 34428 1 891 . 2 . 2 68 68 GLN HA H 1 4.145 0.02 . 1 . . . A A 577 GLN HA . 34428 1 892 . 2 . 2 68 68 GLN HB2 H 1 2.344 0.02 . 2 . . . A A 577 GLN HB2 . 34428 1 893 . 2 . 2 68 68 GLN HB3 H 1 2.163 0.02 . 2 . . . A A 577 GLN HB3 . 34428 1 894 . 2 . 2 68 68 GLN HG2 H 1 2.607 0.02 . 2 . . . A A 577 GLN HG2 . 34428 1 895 . 2 . 2 68 68 GLN HG3 H 1 2.489 0.02 . 2 . . . A A 577 GLN HG3 . 34428 1 896 . 2 . 2 68 68 GLN HE21 H 1 7.521 0.02 . 2 . . . A A 577 GLN HE21 . 34428 1 897 . 2 . 2 68 68 GLN HE22 H 1 6.831 0.02 . 2 . . . A A 577 GLN HE22 . 34428 1 898 . 2 . 2 68 68 GLN C C 13 177.705 0.2 . 1 . . . A A 577 GLN C . 34428 1 899 . 2 . 2 68 68 GLN CA C 13 58.417 0.2 . 1 . . . A A 577 GLN CA . 34428 1 900 . 2 . 2 68 68 GLN CB C 13 28.613 0.2 . 1 . . . A A 577 GLN CB . 34428 1 901 . 2 . 2 68 68 GLN CG C 13 34.541 0.2 . 1 . . . A A 577 GLN CG . 34428 1 902 . 2 . 2 68 68 GLN N N 15 118.498 0.2 . 1 . . . A A 577 GLN N . 34428 1 903 . 2 . 2 68 68 GLN NE2 N 15 111.474 0.2 . 1 . . . A A 577 GLN NE2 . 34428 1 904 . 2 . 2 69 69 GLU H H 1 7.145 0.02 . 1 . . . A A 578 GLU H . 34428 1 905 . 2 . 2 69 69 GLU HA H 1 4.219 0.02 . 1 . . . A A 578 GLU HA . 34428 1 906 . 2 . 2 69 69 GLU HB2 H 1 2.012 0.02 . 1 . . . A A 578 GLU HB2 . 34428 1 907 . 2 . 2 69 69 GLU HB3 H 1 2.012 0.02 . 1 . . . A A 578 GLU HB3 . 34428 1 908 . 2 . 2 69 69 GLU HG2 H 1 2.389 0.02 . 2 . . . A A 578 GLU HG2 . 34428 1 909 . 2 . 2 69 69 GLU HG3 H 1 2.219 0.02 . 2 . . . A A 578 GLU HG3 . 34428 1 910 . 2 . 2 69 69 GLU C C 13 176.903 0.2 . 1 . . . A A 578 GLU C . 34428 1 911 . 2 . 2 69 69 GLU CA C 13 57.477 0.2 . 1 . . . A A 578 GLU CA . 34428 1 912 . 2 . 2 69 69 GLU CB C 13 30.466 0.2 . 1 . . . A A 578 GLU CB . 34428 1 913 . 2 . 2 69 69 GLU CG C 13 36.164 0.2 . 1 . . . A A 578 GLU CG . 34428 1 914 . 2 . 2 69 69 GLU N N 15 117.849 0.2 . 1 . . . A A 578 GLU N . 34428 1 915 . 2 . 2 70 70 LYS H H 1 8.147 0.02 . 1 . . . A A 579 LYS H . 34428 1 916 . 2 . 2 70 70 LYS HA H 1 4.603 0.02 . 1 . . . A A 579 LYS HA . 34428 1 917 . 2 . 2 70 70 LYS HB2 H 1 1.469 0.02 . 2 . . . A A 579 LYS HB2 . 34428 1 918 . 2 . 2 70 70 LYS HB3 H 1 1.186 0.02 . 2 . . . A A 579 LYS HB3 . 34428 1 919 . 2 . 2 70 70 LYS HG2 H 1 1.122 0.02 . 1 . . . A A 579 LYS HG2 . 34428 1 920 . 2 . 2 70 70 LYS HG3 H 1 1.122 0.02 . 1 . . . A A 579 LYS HG3 . 34428 1 921 . 2 . 2 70 70 LYS HD2 H 1 1.44 0.02 . 2 . . . A A 579 LYS HD2 . 34428 1 922 . 2 . 2 70 70 LYS HD3 H 1 1.558 0.02 . 2 . . . A A 579 LYS HD3 . 34428 1 923 . 2 . 2 70 70 LYS HE2 H 1 2.907 0.02 . 1 . . . A A 579 LYS HE2 . 34428 1 924 . 2 . 2 70 70 LYS HE3 H 1 2.907 0.02 . 1 . . . A A 579 LYS HE3 . 34428 1 925 . 2 . 2 70 70 LYS C C 13 171.599 0.2 . 1 . . . A A 579 LYS C . 34428 1 926 . 2 . 2 70 70 LYS CA C 13 53.061 0.2 . 1 . . . A A 579 LYS CA . 34428 1 927 . 2 . 2 70 70 LYS CB C 13 32.081 0.2 . 1 . . . A A 579 LYS CB . 34428 1 928 . 2 . 2 70 70 LYS CG C 13 24.51 0.2 . 1 . . . A A 579 LYS CG . 34428 1 929 . 2 . 2 70 70 LYS CD C 13 29.487 0.2 . 1 . . . A A 579 LYS CD . 34428 1 930 . 2 . 2 70 70 LYS CE C 13 42.265 0.2 . 1 . . . A A 579 LYS CE . 34428 1 931 . 2 . 2 70 70 LYS N N 15 121.222 0.2 . 1 . . . A A 579 LYS N . 34428 1 932 . 2 . 2 71 71 PRO HA H 1 4.987 0.02 . 1 . . . A A 580 PRO HA . 34428 1 933 . 2 . 2 71 71 PRO HB2 H 1 1.695 0.02 . 2 . . . A A 580 PRO HB2 . 34428 1 934 . 2 . 2 71 71 PRO HB3 H 1 2.409 0.02 . 2 . . . A A 580 PRO HB3 . 34428 1 935 . 2 . 2 71 71 PRO HG2 H 1 2.005 0.02 . 1 . . . A A 580 PRO HG2 . 34428 1 936 . 2 . 2 71 71 PRO HG3 H 1 2.005 0.02 . 1 . . . A A 580 PRO HG3 . 34428 1 937 . 2 . 2 71 71 PRO HD2 H 1 3.611 0.02 . 2 . . . A A 580 PRO HD2 . 34428 1 938 . 2 . 2 71 71 PRO HD3 H 1 3.389 0.02 . 2 . . . A A 580 PRO HD3 . 34428 1 939 . 2 . 2 71 71 PRO C C 13 177.026 0.2 . 1 . . . A A 580 PRO C . 34428 1 940 . 2 . 2 71 71 PRO CA C 13 63.571 0.2 . 1 . . . A A 580 PRO CA . 34428 1 941 . 2 . 2 71 71 PRO CB C 13 32.155 0.2 . 1 . . . A A 580 PRO CB . 34428 1 942 . 2 . 2 71 71 PRO CG C 13 27.167 0.2 . 1 . . . A A 580 PRO CG . 34428 1 943 . 2 . 2 71 71 PRO CD C 13 50.065 0.2 . 1 . . . A A 580 PRO CD . 34428 1 944 . 2 . 2 72 72 ALA H H 1 8.919 0.02 . 1 . . . A A 581 ALA H . 34428 1 945 . 2 . 2 72 72 ALA HA H 1 4.427 0.02 . 1 . . . A A 581 ALA HA . 34428 1 946 . 2 . 2 72 72 ALA HB1 H 1 0.979 0.02 . 1 . . . A A 581 ALA HB1 . 34428 1 947 . 2 . 2 72 72 ALA HB2 H 1 0.979 0.02 . 1 . . . A A 581 ALA HB2 . 34428 1 948 . 2 . 2 72 72 ALA HB3 H 1 0.979 0.02 . 1 . . . A A 581 ALA HB3 . 34428 1 949 . 2 . 2 72 72 ALA C C 13 175.768 0.2 . 1 . . . A A 581 ALA C . 34428 1 950 . 2 . 2 72 72 ALA CA C 13 51.815 0.2 . 1 . . . A A 581 ALA CA . 34428 1 951 . 2 . 2 72 72 ALA CB C 13 19.374 0.2 . 1 . . . A A 581 ALA CB . 34428 1 952 . 2 . 2 72 72 ALA N N 15 126.835 0.2 . 1 . . . A A 581 ALA N . 34428 1 953 . 2 . 2 73 73 ILE H H 1 8.008 0.02 . 1 . . . A A 582 ILE H . 34428 1 954 . 2 . 2 73 73 ILE HA H 1 4.916 0.02 . 1 . . . A A 582 ILE HA . 34428 1 955 . 2 . 2 73 73 ILE HB H 1 1.672 0.02 . 1 . . . A A 582 ILE HB . 34428 1 956 . 2 . 2 73 73 ILE HG12 H 1 0.926 0.02 . 2 . . . A A 582 ILE HG12 . 34428 1 957 . 2 . 2 73 73 ILE HG13 H 1 1.478 0.02 . 2 . . . A A 582 ILE HG13 . 34428 1 958 . 2 . 2 73 73 ILE HG21 H 1 0.612 0.02 . 1 . . . A A 582 ILE HG21 . 34428 1 959 . 2 . 2 73 73 ILE HG22 H 1 0.612 0.02 . 1 . . . A A 582 ILE HG22 . 34428 1 960 . 2 . 2 73 73 ILE HG23 H 1 0.612 0.02 . 1 . . . A A 582 ILE HG23 . 34428 1 961 . 2 . 2 73 73 ILE HD11 H 1 0.763 0.02 . 1 . . . A A 582 ILE HD11 . 34428 1 962 . 2 . 2 73 73 ILE HD12 H 1 0.763 0.02 . 1 . . . A A 582 ILE HD12 . 34428 1 963 . 2 . 2 73 73 ILE HD13 H 1 0.763 0.02 . 1 . . . A A 582 ILE HD13 . 34428 1 964 . 2 . 2 73 73 ILE C C 13 176.761 0.2 . 1 . . . A A 582 ILE C . 34428 1 965 . 2 . 2 73 73 ILE CA C 13 59.059 0.2 . 1 . . . A A 582 ILE CA . 34428 1 966 . 2 . 2 73 73 ILE CB C 13 39.594 0.2 . 1 . . . A A 582 ILE CB . 34428 1 967 . 2 . 2 73 73 ILE CG1 C 13 27.368 0.2 . 1 . . . A A 582 ILE CG1 . 34428 1 968 . 2 . 2 73 73 ILE CG2 C 13 17.112 0.2 . 1 . . . A A 582 ILE CG2 . 34428 1 969 . 2 . 2 73 73 ILE CD1 C 13 12.555 0.2 . 1 . . . A A 582 ILE CD1 . 34428 1 970 . 2 . 2 73 73 ILE N N 15 123.02 0.2 . 1 . . . A A 582 ILE N . 34428 1 971 . 2 . 2 74 74 ILE H H 1 8.69 0.02 . 1 . . . A A 583 ILE H . 34428 1 972 . 2 . 2 74 74 ILE HA H 1 4.274 0.02 . 1 . . . A A 583 ILE HA . 34428 1 973 . 2 . 2 74 74 ILE HB H 1 1.427 0.02 . 1 . . . A A 583 ILE HB . 34428 1 974 . 2 . 2 74 74 ILE HG12 H 1 1.072 0.02 . 2 . . . A A 583 ILE HG12 . 34428 1 975 . 2 . 2 74 74 ILE HG13 H 1 1.394 0.02 . 2 . . . A A 583 ILE HG13 . 34428 1 976 . 2 . 2 74 74 ILE HG21 H 1 0.821 0.02 . 1 . . . A A 583 ILE HG21 . 34428 1 977 . 2 . 2 74 74 ILE HG22 H 1 0.821 0.02 . 1 . . . A A 583 ILE HG22 . 34428 1 978 . 2 . 2 74 74 ILE HG23 H 1 0.821 0.02 . 1 . . . A A 583 ILE HG23 . 34428 1 979 . 2 . 2 74 74 ILE HD11 H 1 0.787 0.02 . 1 . . . A A 583 ILE HD11 . 34428 1 980 . 2 . 2 74 74 ILE HD12 H 1 0.787 0.02 . 1 . . . A A 583 ILE HD12 . 34428 1 981 . 2 . 2 74 74 ILE HD13 H 1 0.787 0.02 . 1 . . . A A 583 ILE HD13 . 34428 1 982 . 2 . 2 74 74 ILE C C 13 175.313 0.2 . 1 . . . A A 583 ILE C . 34428 1 983 . 2 . 2 74 74 ILE CA C 13 60.451 0.2 . 1 . . . A A 583 ILE CA . 34428 1 984 . 2 . 2 74 74 ILE CB C 13 40.545 0.2 . 1 . . . A A 583 ILE CB . 34428 1 985 . 2 . 2 74 74 ILE CG1 C 13 26.973 0.2 . 1 . . . A A 583 ILE CG1 . 34428 1 986 . 2 . 2 74 74 ILE CG2 C 13 17.019 0.2 . 1 . . . A A 583 ILE CG2 . 34428 1 987 . 2 . 2 74 74 ILE CD1 C 13 13.434 0.2 . 1 . . . A A 583 ILE CD1 . 34428 1 988 . 2 . 2 74 74 ILE N N 15 127.083 0.2 . 1 . . . A A 583 ILE N . 34428 1 989 . 2 . 2 75 75 ASN H H 1 9.329 0.02 . 1 . . . A A 584 ASN H . 34428 1 990 . 2 . 2 75 75 ASN HA H 1 4.322 0.02 . 1 . . . A A 584 ASN HA . 34428 1 991 . 2 . 2 75 75 ASN HB2 H 1 3.081 0.02 . 2 . . . A A 584 ASN HB2 . 34428 1 992 . 2 . 2 75 75 ASN HB3 H 1 2.645 0.02 . 2 . . . A A 584 ASN HB3 . 34428 1 993 . 2 . 2 75 75 ASN HD21 H 1 7.36 0.02 . 2 . . . A A 584 ASN HD21 . 34428 1 994 . 2 . 2 75 75 ASN HD22 H 1 6.824 0.02 . 2 . . . A A 584 ASN HD22 . 34428 1 995 . 2 . 2 75 75 ASN C C 13 175.351 0.2 . 1 . . . A A 584 ASN C . 34428 1 996 . 2 . 2 75 75 ASN CA C 13 53.839 0.2 . 1 . . . A A 584 ASN CA . 34428 1 997 . 2 . 2 75 75 ASN CB C 13 37.28 0.2 . 1 . . . A A 584 ASN CB . 34428 1 998 . 2 . 2 75 75 ASN N N 15 126.524 0.2 . 1 . . . A A 584 ASN N . 34428 1 999 . 2 . 2 75 75 ASN ND2 N 15 111.653 0.2 . 1 . . . A A 584 ASN ND2 . 34428 1 1000 . 2 . 2 76 76 GLY H H 1 8.179 0.02 . 1 . . . A A 585 GLY H . 34428 1 1001 . 2 . 2 76 76 GLY HA2 H 1 3.454 0.02 . 2 . . . A A 585 GLY HA2 . 34428 1 1002 . 2 . 2 76 76 GLY HA3 H 1 4.155 0.02 . 2 . . . A A 585 GLY HA3 . 34428 1 1003 . 2 . 2 76 76 GLY C C 13 173.576 0.2 . 1 . . . A A 585 GLY C . 34428 1 1004 . 2 . 2 76 76 GLY CA C 13 45.366 0.2 . 1 . . . A A 585 GLY CA . 34428 1 1005 . 2 . 2 76 76 GLY N N 15 102.181 0.2 . 1 . . . A A 585 GLY N . 34428 1 1006 . 2 . 2 77 77 GLU H H 1 7.984 0.02 . 1 . . . A A 586 GLU H . 34428 1 1007 . 2 . 2 77 77 GLU HA H 1 4.562 0.02 . 1 . . . A A 586 GLU HA . 34428 1 1008 . 2 . 2 77 77 GLU HB2 H 1 1.888 0.02 . 1 . . . A A 586 GLU HB2 . 34428 1 1009 . 2 . 2 77 77 GLU HB3 H 1 1.888 0.02 . 1 . . . A A 586 GLU HB3 . 34428 1 1010 . 2 . 2 77 77 GLU HG2 H 1 2.257 0.02 . 2 . . . A A 586 GLU HG2 . 34428 1 1011 . 2 . 2 77 77 GLU HG3 H 1 2.188 0.02 . 2 . . . A A 586 GLU HG3 . 34428 1 1012 . 2 . 2 77 77 GLU C C 13 174.065 0.2 . 1 . . . A A 586 GLU C . 34428 1 1013 . 2 . 2 77 77 GLU CA C 13 54.722 0.2 . 1 . . . A A 586 GLU CA . 34428 1 1014 . 2 . 2 77 77 GLU CB C 13 30.722 0.2 . 1 . . . A A 586 GLU CB . 34428 1 1015 . 2 . 2 77 77 GLU CG C 13 35.476 0.2 . 1 . . . A A 586 GLU CG . 34428 1 1016 . 2 . 2 77 77 GLU N N 15 122.22 0.2 . 1 . . . A A 586 GLU N . 34428 1 1017 . 2 . 2 78 78 LYS H H 1 8.458 0.02 . 1 . . . A A 587 LYS H . 34428 1 1018 . 2 . 2 78 78 LYS HA H 1 4.735 0.02 . 1 . . . A A 587 LYS HA . 34428 1 1019 . 2 . 2 78 78 LYS HB2 H 1 1.696 0.02 . 1 . . . A A 587 LYS HB2 . 34428 1 1020 . 2 . 2 78 78 LYS HB3 H 1 1.696 0.02 . 1 . . . A A 587 LYS HB3 . 34428 1 1021 . 2 . 2 78 78 LYS HG2 H 1 1.42 0.02 . 1 . . . A A 587 LYS HG2 . 34428 1 1022 . 2 . 2 78 78 LYS HG3 H 1 1.42 0.02 . 1 . . . A A 587 LYS HG3 . 34428 1 1023 . 2 . 2 78 78 LYS HD2 H 1 1.678 0.02 . 1 . . . A A 587 LYS HD2 . 34428 1 1024 . 2 . 2 78 78 LYS HD3 H 1 1.678 0.02 . 1 . . . A A 587 LYS HD3 . 34428 1 1025 . 2 . 2 78 78 LYS HE2 H 1 2.977 0.02 . 1 . . . A A 587 LYS HE2 . 34428 1 1026 . 2 . 2 78 78 LYS HE3 H 1 2.977 0.02 . 1 . . . A A 587 LYS HE3 . 34428 1 1027 . 2 . 2 78 78 LYS C C 13 176.857 0.2 . 1 . . . A A 587 LYS C . 34428 1 1028 . 2 . 2 78 78 LYS CA C 13 56.01 0.2 . 1 . . . A A 587 LYS CA . 34428 1 1029 . 2 . 2 78 78 LYS CB C 13 33.218 0.2 . 1 . . . A A 587 LYS CB . 34428 1 1030 . 2 . 2 78 78 LYS CG C 13 24.952 0.2 . 1 . . . A A 587 LYS CG . 34428 1 1031 . 2 . 2 78 78 LYS CD C 13 29.31 0.2 . 1 . . . A A 587 LYS CD . 34428 1 1032 . 2 . 2 78 78 LYS CE C 13 42.088 0.2 . 1 . . . A A 587 LYS CE . 34428 1 1033 . 2 . 2 78 78 LYS N N 15 123.32 0.2 . 1 . . . A A 587 LYS N . 34428 1 1034 . 2 . 2 79 79 LEU H H 1 8.722 0.02 . 1 . . . A A 588 LEU H . 34428 1 1035 . 2 . 2 79 79 LEU HA H 1 4.442 0.02 . 1 . . . A A 588 LEU HA . 34428 1 1036 . 2 . 2 79 79 LEU HB2 H 1 1.249 0.02 . 2 . . . A A 588 LEU HB2 . 34428 1 1037 . 2 . 2 79 79 LEU HB3 H 1 1.628 0.02 . 2 . . . A A 588 LEU HB3 . 34428 1 1038 . 2 . 2 79 79 LEU HD11 H 1 0.656 0.02 . 1 . . . A A 588 LEU HD11 . 34428 1 1039 . 2 . 2 79 79 LEU HD12 H 1 0.656 0.02 . 1 . . . A A 588 LEU HD12 . 34428 1 1040 . 2 . 2 79 79 LEU HD13 H 1 0.656 0.02 . 1 . . . A A 588 LEU HD13 . 34428 1 1041 . 2 . 2 79 79 LEU HD21 H 1 0.624 0.02 . 1 . . . A A 588 LEU HD21 . 34428 1 1042 . 2 . 2 79 79 LEU HD22 H 1 0.624 0.02 . 1 . . . A A 588 LEU HD22 . 34428 1 1043 . 2 . 2 79 79 LEU HD23 H 1 0.624 0.02 . 1 . . . A A 588 LEU HD23 . 34428 1 1044 . 2 . 2 79 79 LEU C C 13 176.766 0.2 . 1 . . . A A 588 LEU C . 34428 1 1045 . 2 . 2 79 79 LEU CA C 13 54.651 0.2 . 1 . . . A A 588 LEU CA . 34428 1 1046 . 2 . 2 79 79 LEU CB C 13 42.551 0.2 . 1 . . . A A 588 LEU CB . 34428 1 1047 . 2 . 2 79 79 LEU CD1 C 13 26.086 0.2 . 1 . . . A A 588 LEU CD1 . 34428 1 1048 . 2 . 2 79 79 LEU CD2 C 13 24.128 0.2 . 1 . . . A A 588 LEU CD2 . 34428 1 1049 . 2 . 2 79 79 LEU N N 15 126.659 0.2 . 1 . . . A A 588 LEU N . 34428 1 1050 . 2 . 2 80 80 LEU H H 1 7.812 0.02 . 1 . . . A A 589 LEU H . 34428 1 1051 . 2 . 2 80 80 LEU HA H 1 4.683 0.02 . 1 . . . A A 589 LEU HA . 34428 1 1052 . 2 . 2 80 80 LEU HB2 H 1 1.343 0.02 . 2 . . . A A 589 LEU HB2 . 34428 1 1053 . 2 . 2 80 80 LEU HB3 H 1 1.855 0.02 . 2 . . . A A 589 LEU HB3 . 34428 1 1054 . 2 . 2 80 80 LEU HD11 H 1 0.881 0.02 . 1 . . . A A 589 LEU HD11 . 34428 1 1055 . 2 . 2 80 80 LEU HD12 H 1 0.881 0.02 . 1 . . . A A 589 LEU HD12 . 34428 1 1056 . 2 . 2 80 80 LEU HD13 H 1 0.881 0.02 . 1 . . . A A 589 LEU HD13 . 34428 1 1057 . 2 . 2 80 80 LEU HD21 H 1 0.7 0.02 . 1 . . . A A 589 LEU HD21 . 34428 1 1058 . 2 . 2 80 80 LEU HD22 H 1 0.7 0.02 . 1 . . . A A 589 LEU HD22 . 34428 1 1059 . 2 . 2 80 80 LEU HD23 H 1 0.7 0.02 . 1 . . . A A 589 LEU HD23 . 34428 1 1060 . 2 . 2 80 80 LEU C C 13 175.101 0.2 . 1 . . . A A 589 LEU C . 34428 1 1061 . 2 . 2 80 80 LEU CA C 13 54.807 0.2 . 1 . . . A A 589 LEU CA . 34428 1 1062 . 2 . 2 80 80 LEU CB C 13 42.89 0.2 . 1 . . . A A 589 LEU CB . 34428 1 1063 . 2 . 2 80 80 LEU CG C 13 27.14 0.2 . 1 . . . A A 589 LEU CG . 34428 1 1064 . 2 . 2 80 80 LEU CD1 C 13 23.257 0.2 . 1 . . . A A 589 LEU CD1 . 34428 1 1065 . 2 . 2 80 80 LEU CD2 C 13 25.197 0.2 . 1 . . . A A 589 LEU CD2 . 34428 1 1066 . 2 . 2 80 80 LEU N N 15 122.994 0.2 . 1 . . . A A 589 LEU N . 34428 1 1067 . 2 . 2 81 81 ILE H H 1 8.58 0.02 . 1 . . . A A 590 ILE H . 34428 1 1068 . 2 . 2 81 81 ILE HA H 1 4.99 0.02 . 1 . . . A A 590 ILE HA . 34428 1 1069 . 2 . 2 81 81 ILE HB H 1 1.78 0.02 . 1 . . . A A 590 ILE HB . 34428 1 1070 . 2 . 2 81 81 ILE HG12 H 1 0.788 0.02 . 2 . . . A A 590 ILE HG12 . 34428 1 1071 . 2 . 2 81 81 ILE HG13 H 1 1.413 0.02 . 2 . . . A A 590 ILE HG13 . 34428 1 1072 . 2 . 2 81 81 ILE HG21 H 1 0.786 0.02 . 1 . . . A A 590 ILE HG21 . 34428 1 1073 . 2 . 2 81 81 ILE HG22 H 1 0.786 0.02 . 1 . . . A A 590 ILE HG22 . 34428 1 1074 . 2 . 2 81 81 ILE HG23 H 1 0.786 0.02 . 1 . . . A A 590 ILE HG23 . 34428 1 1075 . 2 . 2 81 81 ILE HD11 H 1 0.328 0.02 . 1 . . . A A 590 ILE HD11 . 34428 1 1076 . 2 . 2 81 81 ILE HD12 H 1 0.328 0.02 . 1 . . . A A 590 ILE HD12 . 34428 1 1077 . 2 . 2 81 81 ILE HD13 H 1 0.328 0.02 . 1 . . . A A 590 ILE HD13 . 34428 1 1078 . 2 . 2 81 81 ILE C C 13 174.957 0.2 . 1 . . . A A 590 ILE C . 34428 1 1079 . 2 . 2 81 81 ILE CA C 13 61.272 0.2 . 1 . . . A A 590 ILE CA . 34428 1 1080 . 2 . 2 81 81 ILE CB C 13 39.533 0.2 . 1 . . . A A 590 ILE CB . 34428 1 1081 . 2 . 2 81 81 ILE CG1 C 13 28.333 0.2 . 1 . . . A A 590 ILE CG1 . 34428 1 1082 . 2 . 2 81 81 ILE CG2 C 13 17.957 0.2 . 1 . . . A A 590 ILE CG2 . 34428 1 1083 . 2 . 2 81 81 ILE CD1 C 13 13.821 0.2 . 1 . . . A A 590 ILE CD1 . 34428 1 1084 . 2 . 2 81 81 ILE N N 15 129.249 0.2 . 1 . . . A A 590 ILE N . 34428 1 1085 . 2 . 2 82 82 ARG H H 1 9.375 0.02 . 1 . . . A A 591 ARG H . 34428 1 1086 . 2 . 2 82 82 ARG HA H 1 4.904 0.02 . 1 . . . A A 591 ARG HA . 34428 1 1087 . 2 . 2 82 82 ARG HB2 H 1 2.064 0.02 . 2 . . . A A 591 ARG HB2 . 34428 1 1088 . 2 . 2 82 82 ARG HB3 H 1 1.919 0.02 . 2 . . . A A 591 ARG HB3 . 34428 1 1089 . 2 . 2 82 82 ARG HG2 H 1 1.546 0.02 . 1 . . . A A 591 ARG HG2 . 34428 1 1090 . 2 . 2 82 82 ARG HG3 H 1 1.546 0.02 . 1 . . . A A 591 ARG HG3 . 34428 1 1091 . 2 . 2 82 82 ARG HD2 H 1 3.099 0.02 . 2 . . . A A 591 ARG HD2 . 34428 1 1092 . 2 . 2 82 82 ARG HD3 H 1 3.333 0.02 . 2 . . . A A 591 ARG HD3 . 34428 1 1093 . 2 . 2 82 82 ARG C C 13 175.13 0.2 . 1 . . . A A 591 ARG C . 34428 1 1094 . 2 . 2 82 82 ARG CA C 13 54.607 0.2 . 1 . . . A A 591 ARG CA . 34428 1 1095 . 2 . 2 82 82 ARG CB C 13 35.491 0.2 . 1 . . . A A 591 ARG CB . 34428 1 1096 . 2 . 2 82 82 ARG CG C 13 27.225 0.2 . 1 . . . A A 591 ARG CG . 34428 1 1097 . 2 . 2 82 82 ARG CD C 13 43.91 0.2 . 1 . . . A A 591 ARG CD . 34428 1 1098 . 2 . 2 82 82 ARG N N 15 127.778 0.2 . 1 . . . A A 591 ARG N . 34428 1 1099 . 2 . 2 83 83 MET H H 1 9.009 0.02 . 1 . . . A A 592 MET H . 34428 1 1100 . 2 . 2 83 83 MET HA H 1 4.839 0.02 . 1 . . . A A 592 MET HA . 34428 1 1101 . 2 . 2 83 83 MET HB2 H 1 2.109 0.02 . 2 . . . A A 592 MET HB2 . 34428 1 1102 . 2 . 2 83 83 MET HB3 H 1 2.012 0.02 . 2 . . . A A 592 MET HB3 . 34428 1 1103 . 2 . 2 83 83 MET HG2 H 1 2.56 0.02 . 2 . . . A A 592 MET HG2 . 34428 1 1104 . 2 . 2 83 83 MET HG3 H 1 2.862 0.02 . 2 . . . A A 592 MET HG3 . 34428 1 1105 . 2 . 2 83 83 MET HE1 H 1 1.908 0.02 . 1 . . . A A 592 MET HE1 . 34428 1 1106 . 2 . 2 83 83 MET HE2 H 1 1.908 0.02 . 1 . . . A A 592 MET HE2 . 34428 1 1107 . 2 . 2 83 83 MET HE3 H 1 1.908 0.02 . 1 . . . A A 592 MET HE3 . 34428 1 1108 . 2 . 2 83 83 MET C C 13 178.673 0.2 . 1 . . . A A 592 MET C . 34428 1 1109 . 2 . 2 83 83 MET CA C 13 54.578 0.2 . 1 . . . A A 592 MET CA . 34428 1 1110 . 2 . 2 83 83 MET CB C 13 30.243 0.2 . 1 . . . A A 592 MET CB . 34428 1 1111 . 2 . 2 83 83 MET CG C 13 32.148 0.2 . 1 . . . A A 592 MET CG . 34428 1 1112 . 2 . 2 83 83 MET CE C 13 15.157 0.2 . 1 . . . A A 592 MET CE . 34428 1 1113 . 2 . 2 83 83 MET N N 15 119.948 0.2 . 1 . . . A A 592 MET N . 34428 1 1114 . 2 . 2 84 84 SER H H 1 8.594 0.02 . 1 . . . A A 593 SER H . 34428 1 1115 . 2 . 2 84 84 SER HA H 1 5.791 0.02 . 1 . . . A A 593 SER HA . 34428 1 1116 . 2 . 2 84 84 SER HB2 H 1 3.898 0.02 . 1 . . . A A 593 SER HB2 . 34428 1 1117 . 2 . 2 84 84 SER HB3 H 1 3.898 0.02 . 1 . . . A A 593 SER HB3 . 34428 1 1118 . 2 . 2 84 84 SER C C 13 177.26 0.2 . 1 . . . A A 593 SER C . 34428 1 1119 . 2 . 2 84 84 SER CA C 13 57.52 0.2 . 1 . . . A A 593 SER CA . 34428 1 1120 . 2 . 2 84 84 SER CB C 13 64.157 0.2 . 1 . . . A A 593 SER CB . 34428 1 1121 . 2 . 2 84 84 SER N N 15 116.281 0.2 . 1 . . . A A 593 SER N . 34428 1 1122 . 2 . 2 85 85 THR H H 1 9.54 0.02 . 1 . . . A A 594 THR H . 34428 1 1123 . 2 . 2 85 85 THR HA H 1 4.266 0.02 . 1 . . . A A 594 THR HA . 34428 1 1124 . 2 . 2 85 85 THR HB H 1 4.239 0.02 . 1 . . . A A 594 THR HB . 34428 1 1125 . 2 . 2 85 85 THR HG21 H 1 1.194 0.02 . 1 . . . A A 594 THR HG21 . 34428 1 1126 . 2 . 2 85 85 THR HG22 H 1 1.194 0.02 . 1 . . . A A 594 THR HG22 . 34428 1 1127 . 2 . 2 85 85 THR HG23 H 1 1.194 0.02 . 1 . . . A A 594 THR HG23 . 34428 1 1128 . 2 . 2 85 85 THR C C 13 174.754 0.2 . 1 . . . A A 594 THR C . 34428 1 1129 . 2 . 2 85 85 THR CA C 13 62.016 0.2 . 1 . . . A A 594 THR CA . 34428 1 1130 . 2 . 2 85 85 THR CB C 13 68.59 0.2 . 1 . . . A A 594 THR CB . 34428 1 1131 . 2 . 2 85 85 THR CG2 C 13 22.61 0.2 . 1 . . . A A 594 THR CG2 . 34428 1 1132 . 2 . 2 85 85 THR N N 15 120.488 0.2 . 1 . . . A A 594 THR N . 34428 1 1133 . 2 . 2 86 86 ARG H H 1 7.595 0.02 . 1 . . . A A 595 ARG H . 34428 1 1134 . 2 . 2 86 86 ARG HA H 1 4.121 0.02 . 1 . . . A A 595 ARG HA . 34428 1 1135 . 2 . 2 86 86 ARG HB2 H 1 1.302 0.02 . 2 . . . A A 595 ARG HB2 . 34428 1 1136 . 2 . 2 86 86 ARG HB3 H 1 1.087 0.02 . 2 . . . A A 595 ARG HB3 . 34428 1 1137 . 2 . 2 86 86 ARG HG2 H 1 0.854 0.02 . 2 . . . A A 595 ARG HG2 . 34428 1 1138 . 2 . 2 86 86 ARG HG3 H 1 0.405 0.02 . 2 . . . A A 595 ARG HG3 . 34428 1 1139 . 2 . 2 86 86 ARG HD2 H 1 2.958 0.02 . 2 . . . A A 595 ARG HD2 . 34428 1 1140 . 2 . 2 86 86 ARG HD3 H 1 2.853 0.02 . 2 . . . A A 595 ARG HD3 . 34428 1 1141 . 2 . 2 86 86 ARG C C 13 174.858 0.2 . 1 . . . A A 595 ARG C . 34428 1 1142 . 2 . 2 86 86 ARG CA C 13 56.924 0.2 . 1 . . . A A 595 ARG CA . 34428 1 1143 . 2 . 2 86 86 ARG CB C 13 33.442 0.2 . 1 . . . A A 595 ARG CB . 34428 1 1144 . 2 . 2 86 86 ARG CG C 13 26.721 0.2 . 1 . . . A A 595 ARG CG . 34428 1 1145 . 2 . 2 86 86 ARG CD C 13 43.287 0.2 . 1 . . . A A 595 ARG CD . 34428 1 1146 . 2 . 2 86 86 ARG N N 15 121.699 0.2 . 1 . . . A A 595 ARG N . 34428 1 1147 . 2 . 2 87 87 TYR H H 1 8.156 0.02 . 1 . . . A A 596 TYR H . 34428 1 1148 . 2 . 2 87 87 TYR HA H 1 4.806 0.02 . 1 . . . A A 596 TYR HA . 34428 1 1149 . 2 . 2 87 87 TYR HB2 H 1 2.202 0.02 . 2 . . . A A 596 TYR HB2 . 34428 1 1150 . 2 . 2 87 87 TYR HB3 H 1 2.98 0.02 . 2 . . . A A 596 TYR HB3 . 34428 1 1151 . 2 . 2 87 87 TYR HD1 H 1 6.636 0.02 . 1 . . . A A 596 TYR HD1 . 34428 1 1152 . 2 . 2 87 87 TYR HD2 H 1 6.636 0.02 . 1 . . . A A 596 TYR HD2 . 34428 1 1153 . 2 . 2 87 87 TYR HE1 H 1 7.43 0.02 . 1 . . . A A 596 TYR HE1 . 34428 1 1154 . 2 . 2 87 87 TYR HE2 H 1 7.43 0.02 . 1 . . . A A 596 TYR HE2 . 34428 1 1155 . 2 . 2 87 87 TYR C C 13 174.992 0.2 . 1 . . . A A 596 TYR C . 34428 1 1156 . 2 . 2 87 87 TYR CA C 13 57.028 0.2 . 1 . . . A A 596 TYR CA . 34428 1 1157 . 2 . 2 87 87 TYR CB C 13 39.942 0.2 . 1 . . . A A 596 TYR CB . 34428 1 1158 . 2 . 2 87 87 TYR N N 15 117.096 0.2 . 1 . . . A A 596 TYR N . 34428 1 1159 . 2 . 2 88 88 LYS H H 1 9.238 0.02 . 1 . . . A A 597 LYS H . 34428 1 1160 . 2 . 2 88 88 LYS HA H 1 4.385 0.02 . 1 . . . A A 597 LYS HA . 34428 1 1161 . 2 . 2 88 88 LYS HB2 H 1 1.922 0.02 . 1 . . . A A 597 LYS HB2 . 34428 1 1162 . 2 . 2 88 88 LYS HB3 H 1 1.922 0.02 . 1 . . . A A 597 LYS HB3 . 34428 1 1163 . 2 . 2 88 88 LYS HG2 H 1 1.552 0.02 . 2 . . . A A 597 LYS HG2 . 34428 1 1164 . 2 . 2 88 88 LYS HG3 H 1 1.349 0.02 . 2 . . . A A 597 LYS HG3 . 34428 1 1165 . 2 . 2 88 88 LYS HE2 H 1 2.929 0.02 . 1 . . . A A 597 LYS HE2 . 34428 1 1166 . 2 . 2 88 88 LYS HE3 H 1 2.929 0.02 . 1 . . . A A 597 LYS HE3 . 34428 1 1167 . 2 . 2 88 88 LYS C C 13 175.781 0.2 . 1 . . . A A 597 LYS C . 34428 1 1168 . 2 . 2 88 88 LYS CA C 13 57.214 0.2 . 1 . . . A A 597 LYS CA . 34428 1 1169 . 2 . 2 88 88 LYS CB C 13 33.864 0.2 . 1 . . . A A 597 LYS CB . 34428 1 1170 . 2 . 2 88 88 LYS CG C 13 25.364 0.2 . 1 . . . A A 597 LYS CG . 34428 1 1171 . 2 . 2 88 88 LYS CE C 13 42.295 0.2 . 1 . . . A A 597 LYS CE . 34428 1 1172 . 2 . 2 88 88 LYS N N 15 121.619 0.2 . 1 . . . A A 597 LYS N . 34428 1 1173 . 2 . 2 89 89 GLU H H 1 7.854 0.02 . 1 . . . A A 598 GLU H . 34428 1 1174 . 2 . 2 89 89 GLU HA H 1 4.301 0.02 . 1 . . . A A 598 GLU HA . 34428 1 1175 . 2 . 2 89 89 GLU HG2 H 1 2.024 0.02 . 2 . . . A A 598 GLU HG2 . 34428 1 1176 . 2 . 2 89 89 GLU HG3 H 1 2.079 0.02 . 2 . . . A A 598 GLU HG3 . 34428 1 1177 . 2 . 2 89 89 GLU C C 13 173.909 0.2 . 1 . . . A A 598 GLU C . 34428 1 1178 . 2 . 2 89 89 GLU CA C 13 54.887 0.2 . 1 . . . A A 598 GLU CA . 34428 1 1179 . 2 . 2 89 89 GLU CB C 13 32.392 0.2 . 1 . . . A A 598 GLU CB . 34428 1 1180 . 2 . 2 89 89 GLU CG C 13 35.319 0.2 . 1 . . . A A 598 GLU CG . 34428 1 1181 . 2 . 2 89 89 GLU N N 15 116.002 0.2 . 1 . . . A A 598 GLU N . 34428 1 1182 . 2 . 2 90 90 LEU H H 1 9.116 0.02 . 1 . . . A A 599 LEU H . 34428 1 1183 . 2 . 2 90 90 LEU HA H 1 4.641 0.02 . 1 . . . A A 599 LEU HA . 34428 1 1184 . 2 . 2 90 90 LEU HB2 H 1 0.597 0.02 . 2 . . . A A 599 LEU HB2 . 34428 1 1185 . 2 . 2 90 90 LEU HB3 H 1 1.29 0.02 . 2 . . . A A 599 LEU HB3 . 34428 1 1186 . 2 . 2 90 90 LEU HD11 H 1 0.332 0.02 . 1 . . . A A 599 LEU HD11 . 34428 1 1187 . 2 . 2 90 90 LEU HD12 H 1 0.332 0.02 . 1 . . . A A 599 LEU HD12 . 34428 1 1188 . 2 . 2 90 90 LEU HD13 H 1 0.332 0.02 . 1 . . . A A 599 LEU HD13 . 34428 1 1189 . 2 . 2 90 90 LEU HD21 H 1 -0.059 0.02 . 1 . . . A A 599 LEU HD21 . 34428 1 1190 . 2 . 2 90 90 LEU HD22 H 1 -0.059 0.02 . 1 . . . A A 599 LEU HD22 . 34428 1 1191 . 2 . 2 90 90 LEU HD23 H 1 -0.059 0.02 . 1 . . . A A 599 LEU HD23 . 34428 1 1192 . 2 . 2 90 90 LEU C C 13 176.552 0.2 . 1 . . . A A 599 LEU C . 34428 1 1193 . 2 . 2 90 90 LEU CA C 13 53.122 0.2 . 1 . . . A A 599 LEU CA . 34428 1 1194 . 2 . 2 90 90 LEU CB C 13 44.071 0.2 . 1 . . . A A 599 LEU CB . 34428 1 1195 . 2 . 2 90 90 LEU CD1 C 13 25.451 0.2 . 1 . . . A A 599 LEU CD1 . 34428 1 1196 . 2 . 2 90 90 LEU CD2 C 13 22.467 0.2 . 1 . . . A A 599 LEU CD2 . 34428 1 1197 . 2 . 2 90 90 LEU N N 15 118.962 0.2 . 1 . . . A A 599 LEU N . 34428 1 1198 . 2 . 2 91 91 GLN H H 1 8.816 0.02 . 1 . . . A A 600 GLN H . 34428 1 1199 . 2 . 2 91 91 GLN HA H 1 4.462 0.02 . 1 . . . A A 600 GLN HA . 34428 1 1200 . 2 . 2 91 91 GLN HB2 H 1 1.949 0.02 . 2 . . . A A 600 GLN HB2 . 34428 1 1201 . 2 . 2 91 91 GLN HB3 H 1 1.89 0.02 . 2 . . . A A 600 GLN HB3 . 34428 1 1202 . 2 . 2 91 91 GLN HG2 H 1 2.166 0.02 . 2 . . . A A 600 GLN HG2 . 34428 1 1203 . 2 . 2 91 91 GLN HG3 H 1 2.248 0.02 . 2 . . . A A 600 GLN HG3 . 34428 1 1204 . 2 . 2 91 91 GLN HE21 H 1 7.492 0.02 . 2 . . . A A 600 GLN HE21 . 34428 1 1205 . 2 . 2 91 91 GLN HE22 H 1 6.758 0.02 . 2 . . . A A 600 GLN HE22 . 34428 1 1206 . 2 . 2 91 91 GLN C C 13 176.126 0.2 . 1 . . . A A 600 GLN C . 34428 1 1207 . 2 . 2 91 91 GLN CA C 13 54.442 0.2 . 1 . . . A A 600 GLN CA . 34428 1 1208 . 2 . 2 91 91 GLN CB C 13 29.672 0.2 . 1 . . . A A 600 GLN CB . 34428 1 1209 . 2 . 2 91 91 GLN CG C 13 33.434 0.2 . 1 . . . A A 600 GLN CG . 34428 1 1210 . 2 . 2 91 91 GLN N N 15 121.55 0.2 . 1 . . . A A 600 GLN N . 34428 1 1211 . 2 . 2 91 91 GLN NE2 N 15 112.031 0.2 . 1 . . . A A 600 GLN NE2 . 34428 1 1212 . 2 . 2 92 92 LEU H H 1 9.035 0.02 . 1 . . . A A 601 LEU H . 34428 1 1213 . 2 . 2 92 92 LEU HA H 1 4.019 0.02 . 1 . . . A A 601 LEU HA . 34428 1 1214 . 2 . 2 92 92 LEU HB2 H 1 1.48 0.02 . 2 . . . A A 601 LEU HB2 . 34428 1 1215 . 2 . 2 92 92 LEU HB3 H 1 1.862 0.02 . 2 . . . A A 601 LEU HB3 . 34428 1 1216 . 2 . 2 92 92 LEU HG H 1 1.587 0.02 . 1 . . . A A 601 LEU HG . 34428 1 1217 . 2 . 2 92 92 LEU HD11 H 1 0.787 0.02 . 1 . . . A A 601 LEU HD11 . 34428 1 1218 . 2 . 2 92 92 LEU HD12 H 1 0.787 0.02 . 1 . . . A A 601 LEU HD12 . 34428 1 1219 . 2 . 2 92 92 LEU HD13 H 1 0.787 0.02 . 1 . . . A A 601 LEU HD13 . 34428 1 1220 . 2 . 2 92 92 LEU HD21 H 1 0.725 0.02 . 1 . . . A A 601 LEU HD21 . 34428 1 1221 . 2 . 2 92 92 LEU HD22 H 1 0.725 0.02 . 1 . . . A A 601 LEU HD22 . 34428 1 1222 . 2 . 2 92 92 LEU HD23 H 1 0.725 0.02 . 1 . . . A A 601 LEU HD23 . 34428 1 1223 . 2 . 2 92 92 LEU C C 13 177.734 0.2 . 1 . . . A A 601 LEU C . 34428 1 1224 . 2 . 2 92 92 LEU CA C 13 57.142 0.2 . 1 . . . A A 601 LEU CA . 34428 1 1225 . 2 . 2 92 92 LEU CB C 13 41.154 0.2 . 1 . . . A A 601 LEU CB . 34428 1 1226 . 2 . 2 92 92 LEU CG C 13 28.495 0.2 . 1 . . . A A 601 LEU CG . 34428 1 1227 . 2 . 2 92 92 LEU CD1 C 13 24.691 0.2 . 1 . . . A A 601 LEU CD1 . 34428 1 1228 . 2 . 2 92 92 LEU CD2 C 13 23.567 0.2 . 1 . . . A A 601 LEU CD2 . 34428 1 1229 . 2 . 2 92 92 LEU N N 15 129.931 0.2 . 1 . . . A A 601 LEU N . 34428 1 1230 . 2 . 2 93 93 LYS H H 1 8.558 0.02 . 1 . . . A A 602 LYS H . 34428 1 1231 . 2 . 2 93 93 LYS HA H 1 4.295 0.02 . 1 . . . A A 602 LYS HA . 34428 1 1232 . 2 . 2 93 93 LYS HB2 H 1 1.77 0.02 . 2 . . . A A 602 LYS HB2 . 34428 1 1233 . 2 . 2 93 93 LYS HB3 H 1 1.839 0.02 . 2 . . . A A 602 LYS HB3 . 34428 1 1234 . 2 . 2 93 93 LYS HG2 H 1 1.658 0.02 . 2 . . . A A 602 LYS HG2 . 34428 1 1235 . 2 . 2 93 93 LYS HG3 H 1 1.479 0.02 . 2 . . . A A 602 LYS HG3 . 34428 1 1236 . 2 . 2 93 93 LYS HE2 H 1 2.973 0.02 . 1 . . . A A 602 LYS HE2 . 34428 1 1237 . 2 . 2 93 93 LYS HE3 H 1 2.973 0.02 . 1 . . . A A 602 LYS HE3 . 34428 1 1238 . 2 . 2 93 93 LYS C C 13 176.24 0.2 . 1 . . . A A 602 LYS C . 34428 1 1239 . 2 . 2 93 93 LYS CA C 13 57.312 0.2 . 1 . . . A A 602 LYS CA . 34428 1 1240 . 2 . 2 93 93 LYS CB C 13 33.729 0.2 . 1 . . . A A 602 LYS CB . 34428 1 1241 . 2 . 2 93 93 LYS CG C 13 25.051 0.2 . 1 . . . A A 602 LYS CG . 34428 1 1242 . 2 . 2 93 93 LYS N N 15 122.439 0.2 . 1 . . . A A 602 LYS N . 34428 1 1243 . 2 . 2 94 94 LYS H H 1 7.646 0.02 . 1 . . . A A 603 LYS H . 34428 1 1244 . 2 . 2 94 94 LYS HA H 1 4.744 0.02 . 1 . . . A A 603 LYS HA . 34428 1 1245 . 2 . 2 94 94 LYS HB2 H 1 1.779 0.02 . 2 . . . A A 603 LYS HB2 . 34428 1 1246 . 2 . 2 94 94 LYS HB3 H 1 1.852 0.02 . 2 . . . A A 603 LYS HB3 . 34428 1 1247 . 2 . 2 94 94 LYS HG2 H 1 1.567 0.02 . 1 . . . A A 603 LYS HG2 . 34428 1 1248 . 2 . 2 94 94 LYS HG3 H 1 1.567 0.02 . 1 . . . A A 603 LYS HG3 . 34428 1 1249 . 2 . 2 94 94 LYS HD2 H 1 1.7 0.02 . 1 . . . A A 603 LYS HD2 . 34428 1 1250 . 2 . 2 94 94 LYS HD3 H 1 1.7 0.02 . 1 . . . A A 603 LYS HD3 . 34428 1 1251 . 2 . 2 94 94 LYS HE2 H 1 2.955 0.02 . 1 . . . A A 603 LYS HE2 . 34428 1 1252 . 2 . 2 94 94 LYS HE3 H 1 2.955 0.02 . 1 . . . A A 603 LYS HE3 . 34428 1 1253 . 2 . 2 94 94 LYS CA C 13 53.072 0.2 . 1 . . . A A 603 LYS CA . 34428 1 1254 . 2 . 2 94 94 LYS CB C 13 33.102 0.2 . 1 . . . A A 603 LYS CB . 34428 1 1255 . 2 . 2 94 94 LYS CG C 13 24.894 0.2 . 1 . . . A A 603 LYS CG . 34428 1 1256 . 2 . 2 94 94 LYS CD C 13 29.621 0.2 . 1 . . . A A 603 LYS CD . 34428 1 1257 . 2 . 2 94 94 LYS CE C 13 41.894 0.2 . 1 . . . A A 603 LYS CE . 34428 1 1258 . 2 . 2 94 94 LYS N N 15 119.181 0.2 . 1 . . . A A 603 LYS N . 34428 1 1259 . 2 . 2 95 95 PRO HA H 1 4.389 0.02 . 1 . . . A A 604 PRO HA . 34428 1 1260 . 2 . 2 95 95 PRO HB2 H 1 2.317 0.02 . 2 . . . A A 604 PRO HB2 . 34428 1 1261 . 2 . 2 95 95 PRO HB3 H 1 1.955 0.02 . 2 . . . A A 604 PRO HB3 . 34428 1 1262 . 2 . 2 95 95 PRO HG2 H 1 2.006 0.02 . 2 . . . A A 604 PRO HG2 . 34428 1 1263 . 2 . 2 95 95 PRO HG3 H 1 2.067 0.02 . 2 . . . A A 604 PRO HG3 . 34428 1 1264 . 2 . 2 95 95 PRO HD2 H 1 3.753 0.02 . 2 . . . A A 604 PRO HD2 . 34428 1 1265 . 2 . 2 95 95 PRO HD3 H 1 3.633 0.02 . 2 . . . A A 604 PRO HD3 . 34428 1 1266 . 2 . 2 95 95 PRO C C 13 177.371 0.2 . 1 . . . A A 604 PRO C . 34428 1 1267 . 2 . 2 95 95 PRO CA C 13 63.529 0.2 . 1 . . . A A 604 PRO CA . 34428 1 1268 . 2 . 2 95 95 PRO CB C 13 32.284 0.2 . 1 . . . A A 604 PRO CB . 34428 1 1269 . 2 . 2 95 95 PRO CG C 13 27.435 0.2 . 1 . . . A A 604 PRO CG . 34428 1 1270 . 2 . 2 95 95 PRO CD C 13 50.485 0.2 . 1 . . . A A 604 PRO CD . 34428 1 1271 . 2 . 2 96 96 GLY H H 1 8.213 0.02 . 1 . . . A A 605 GLY H . 34428 1 1272 . 2 . 2 96 96 GLY HA2 H 1 3.727 0.02 . 2 . . . A A 605 GLY HA2 . 34428 1 1273 . 2 . 2 96 96 GLY HA3 H 1 4.396 0.02 . 2 . . . A A 605 GLY HA3 . 34428 1 1274 . 2 . 2 96 96 GLY C C 13 173.716 0.2 . 1 . . . A A 605 GLY C . 34428 1 1275 . 2 . 2 96 96 GLY CA C 13 44.452 0.2 . 1 . . . A A 605 GLY CA . 34428 1 1276 . 2 . 2 96 96 GLY N N 15 110.009 0.2 . 1 . . . A A 605 GLY N . 34428 1 1277 . 2 . 2 97 97 LYS H H 1 8.3 0.02 . 1 . . . A A 606 LYS H . 34428 1 1278 . 2 . 2 97 97 LYS HA H 1 4.383 0.02 . 1 . . . A A 606 LYS HA . 34428 1 1279 . 2 . 2 97 97 LYS HB2 H 1 1.872 0.02 . 1 . . . A A 606 LYS HB2 . 34428 1 1280 . 2 . 2 97 97 LYS HB3 H 1 1.872 0.02 . 1 . . . A A 606 LYS HB3 . 34428 1 1281 . 2 . 2 97 97 LYS HG2 H 1 1.527 0.02 . 1 . . . A A 606 LYS HG2 . 34428 1 1282 . 2 . 2 97 97 LYS HG3 H 1 1.527 0.02 . 1 . . . A A 606 LYS HG3 . 34428 1 1283 . 2 . 2 97 97 LYS HE2 H 1 2.915 0.02 . 1 . . . A A 606 LYS HE2 . 34428 1 1284 . 2 . 2 97 97 LYS HE3 H 1 2.915 0.02 . 1 . . . A A 606 LYS HE3 . 34428 1 1285 . 2 . 2 97 97 LYS C C 13 176.664 0.2 . 1 . . . A A 606 LYS C . 34428 1 1286 . 2 . 2 97 97 LYS CA C 13 56.658 0.2 . 1 . . . A A 606 LYS CA . 34428 1 1287 . 2 . 2 97 97 LYS CB C 13 33.553 0.2 . 1 . . . A A 606 LYS CB . 34428 1 1288 . 2 . 2 97 97 LYS CG C 13 25.793 0.2 . 1 . . . A A 606 LYS CG . 34428 1 1289 . 2 . 2 97 97 LYS N N 15 121.926 0.2 . 1 . . . A A 606 LYS N . 34428 1 1290 . 2 . 2 98 98 ASN H H 1 8.686 0.02 . 1 . . . A A 607 ASN H . 34428 1 1291 . 2 . 2 98 98 ASN HA H 1 4.73 0.02 . 1 . . . A A 607 ASN HA . 34428 1 1292 . 2 . 2 98 98 ASN HB2 H 1 2.909 0.02 . 1 . . . A A 607 ASN HB2 . 34428 1 1293 . 2 . 2 98 98 ASN HB3 H 1 2.909 0.02 . 1 . . . A A 607 ASN HB3 . 34428 1 1294 . 2 . 2 98 98 ASN HD21 H 1 7.758 0.02 . 2 . . . A A 607 ASN HD21 . 34428 1 1295 . 2 . 2 98 98 ASN HD22 H 1 7.042 0.02 . 2 . . . A A 607 ASN HD22 . 34428 1 1296 . 2 . 2 98 98 ASN C C 13 176.175 0.2 . 1 . . . A A 607 ASN C . 34428 1 1297 . 2 . 2 98 98 ASN CA C 13 53.808 0.2 . 1 . . . A A 607 ASN CA . 34428 1 1298 . 2 . 2 98 98 ASN CB C 13 39.001 0.2 . 1 . . . A A 607 ASN CB . 34428 1 1299 . 2 . 2 98 98 ASN N N 15 121.927 0.2 . 1 . . . A A 607 ASN N . 34428 1 1300 . 2 . 2 98 98 ASN ND2 N 15 113.025 0.2 . 1 . . . A A 607 ASN ND2 . 34428 1 1301 . 2 . 2 99 99 VAL H H 1 8.731 0.02 . 1 . . . A A 608 VAL H . 34428 1 1302 . 2 . 2 99 99 VAL HA H 1 3.675 0.02 . 1 . . . A A 608 VAL HA . 34428 1 1303 . 2 . 2 99 99 VAL HB H 1 2.088 0.02 . 1 . . . A A 608 VAL HB . 34428 1 1304 . 2 . 2 99 99 VAL HG11 H 1 0.948 0.02 . 1 . . . A A 608 VAL HG11 . 34428 1 1305 . 2 . 2 99 99 VAL HG12 H 1 0.948 0.02 . 1 . . . A A 608 VAL HG12 . 34428 1 1306 . 2 . 2 99 99 VAL HG13 H 1 0.948 0.02 . 1 . . . A A 608 VAL HG13 . 34428 1 1307 . 2 . 2 99 99 VAL HG21 H 1 1.065 0.02 . 1 . . . A A 608 VAL HG21 . 34428 1 1308 . 2 . 2 99 99 VAL HG22 H 1 1.065 0.02 . 1 . . . A A 608 VAL HG22 . 34428 1 1309 . 2 . 2 99 99 VAL HG23 H 1 1.065 0.02 . 1 . . . A A 608 VAL HG23 . 34428 1 1310 . 2 . 2 99 99 VAL CA C 13 62.261 0.2 . 1 . . . A A 608 VAL CA . 34428 1 1311 . 2 . 2 99 99 VAL CB C 13 31.895 0.2 . 1 . . . A A 608 VAL CB . 34428 1 1312 . 2 . 2 99 99 VAL CG1 C 13 21.253 0.2 . 1 . . . A A 608 VAL CG1 . 34428 1 1313 . 2 . 2 99 99 VAL CG2 C 13 22.554 0.2 . 1 . . . A A 608 VAL CG2 . 34428 1 1314 . 2 . 2 99 99 VAL N N 15 125.659 0.2 . 1 . . . A A 608 VAL N . 34428 1 1315 . 2 . 2 100 100 ALA H H 1 8.313 0.02 . 1 . . . A A 609 ALA H . 34428 1 1316 . 2 . 2 100 100 ALA HA H 1 4.087 0.02 . 1 . . . A A 609 ALA HA . 34428 1 1317 . 2 . 2 100 100 ALA HB1 H 1 1.448 0.02 . 1 . . . A A 609 ALA HB1 . 34428 1 1318 . 2 . 2 100 100 ALA HB2 H 1 1.448 0.02 . 1 . . . A A 609 ALA HB2 . 34428 1 1319 . 2 . 2 100 100 ALA HB3 H 1 1.448 0.02 . 1 . . . A A 609 ALA HB3 . 34428 1 1320 . 2 . 2 100 100 ALA C C 13 179.885 0.2 . 1 . . . A A 609 ALA C . 34428 1 1321 . 2 . 2 100 100 ALA CA C 13 54.849 0.2 . 1 . . . A A 609 ALA CA . 34428 1 1322 . 2 . 2 100 100 ALA CB C 13 18.202 0.2 . 1 . . . A A 609 ALA CB . 34428 1 1323 . 2 . 2 100 100 ALA N N 15 122.174 0.2 . 1 . . . A A 609 ALA N . 34428 1 1324 . 2 . 2 101 101 ALA H H 1 7.666 0.02 . 1 . . . A A 610 ALA H . 34428 1 1325 . 2 . 2 101 101 ALA HA H 1 4.196 0.02 . 1 . . . A A 610 ALA HA . 34428 1 1326 . 2 . 2 101 101 ALA HB1 H 1 1.515 0.02 . 1 . . . A A 610 ALA HB1 . 34428 1 1327 . 2 . 2 101 101 ALA HB2 H 1 1.515 0.02 . 1 . . . A A 610 ALA HB2 . 34428 1 1328 . 2 . 2 101 101 ALA HB3 H 1 1.515 0.02 . 1 . . . A A 610 ALA HB3 . 34428 1 1329 . 2 . 2 101 101 ALA C C 13 179.657 0.2 . 1 . . . A A 610 ALA C . 34428 1 1330 . 2 . 2 101 101 ALA CA C 13 54.288 0.2 . 1 . . . A A 610 ALA CA . 34428 1 1331 . 2 . 2 101 101 ALA CB C 13 18.366 0.2 . 1 . . . A A 610 ALA CB . 34428 1 1332 . 2 . 2 101 101 ALA N N 15 120.794 0.2 . 1 . . . A A 610 ALA N . 34428 1 1333 . 2 . 2 102 102 ILE H H 1 7.69 0.02 . 1 . . . A A 611 ILE H . 34428 1 1334 . 2 . 2 102 102 ILE HA H 1 3.823 0.02 . 1 . . . A A 611 ILE HA . 34428 1 1335 . 2 . 2 102 102 ILE HB H 1 1.879 0.02 . 1 . . . A A 611 ILE HB . 34428 1 1336 . 2 . 2 102 102 ILE HG12 H 1 1.058 0.02 . 2 . . . A A 611 ILE HG12 . 34428 1 1337 . 2 . 2 102 102 ILE HG13 H 1 1.583 0.02 . 2 . . . A A 611 ILE HG13 . 34428 1 1338 . 2 . 2 102 102 ILE HG21 H 1 0.768 0.02 . 1 . . . A A 611 ILE HG21 . 34428 1 1339 . 2 . 2 102 102 ILE HG22 H 1 0.768 0.02 . 1 . . . A A 611 ILE HG22 . 34428 1 1340 . 2 . 2 102 102 ILE HG23 H 1 0.768 0.02 . 1 . . . A A 611 ILE HG23 . 34428 1 1341 . 2 . 2 102 102 ILE HD11 H 1 0.653 0.02 . 1 . . . A A 611 ILE HD11 . 34428 1 1342 . 2 . 2 102 102 ILE HD12 H 1 0.653 0.02 . 1 . . . A A 611 ILE HD12 . 34428 1 1343 . 2 . 2 102 102 ILE HD13 H 1 0.653 0.02 . 1 . . . A A 611 ILE HD13 . 34428 1 1344 . 2 . 2 102 102 ILE C C 13 177.712 0.2 . 1 . . . A A 611 ILE C . 34428 1 1345 . 2 . 2 102 102 ILE CA C 13 63.955 0.2 . 1 . . . A A 611 ILE CA . 34428 1 1346 . 2 . 2 102 102 ILE CB C 13 38.075 0.2 . 1 . . . A A 611 ILE CB . 34428 1 1347 . 2 . 2 102 102 ILE CG1 C 13 27.748 0.2 . 1 . . . A A 611 ILE CG1 . 34428 1 1348 . 2 . 2 102 102 ILE CG2 C 13 17.353 0.2 . 1 . . . A A 611 ILE CG2 . 34428 1 1349 . 2 . 2 102 102 ILE CD1 C 13 14.271 0.2 . 1 . . . A A 611 ILE CD1 . 34428 1 1350 . 2 . 2 102 102 ILE N N 15 120.526 0.2 . 1 . . . A A 611 ILE N . 34428 1 1351 . 2 . 2 103 103 ILE H H 1 8.288 0.02 . 1 . . . A A 612 ILE H . 34428 1 1352 . 2 . 2 103 103 ILE HA H 1 4.117 0.02 . 1 . . . A A 612 ILE HA . 34428 1 1353 . 2 . 2 103 103 ILE HB H 1 1.828 0.02 . 1 . . . A A 612 ILE HB . 34428 1 1354 . 2 . 2 103 103 ILE HG21 H 1 0.813 0.02 . 1 . . . A A 612 ILE HG21 . 34428 1 1355 . 2 . 2 103 103 ILE HG22 H 1 0.813 0.02 . 1 . . . A A 612 ILE HG22 . 34428 1 1356 . 2 . 2 103 103 ILE HG23 H 1 0.813 0.02 . 1 . . . A A 612 ILE HG23 . 34428 1 1357 . 2 . 2 103 103 ILE HD11 H 1 0.837 0.02 . 1 . . . A A 612 ILE HD11 . 34428 1 1358 . 2 . 2 103 103 ILE HD12 H 1 0.837 0.02 . 1 . . . A A 612 ILE HD12 . 34428 1 1359 . 2 . 2 103 103 ILE HD13 H 1 0.837 0.02 . 1 . . . A A 612 ILE HD13 . 34428 1 1360 . 2 . 2 103 103 ILE C C 13 177.395 0.2 . 1 . . . A A 612 ILE C . 34428 1 1361 . 2 . 2 103 103 ILE CA C 13 59.408 0.2 . 1 . . . A A 612 ILE CA . 34428 1 1362 . 2 . 2 103 103 ILE CB C 13 38.258 0.2 . 1 . . . A A 612 ILE CB . 34428 1 1363 . 2 . 2 103 103 ILE CG2 C 13 17.308 0.2 . 1 . . . A A 612 ILE CG2 . 34428 1 1364 . 2 . 2 103 103 ILE CD1 C 13 14.095 0.2 . 1 . . . A A 612 ILE CD1 . 34428 1 1365 . 2 . 2 103 103 ILE N N 15 120.104 0.2 . 1 . . . A A 612 ILE N . 34428 1 1366 . 2 . 2 104 104 GLN H H 1 7.81 0.02 . 1 . . . A A 613 GLN H . 34428 1 1367 . 2 . 2 104 104 GLN HA H 1 4.139 0.02 . 1 . . . A A 613 GLN HA . 34428 1 1368 . 2 . 2 104 104 GLN HB2 H 1 2.15 0.02 . 1 . . . A A 613 GLN HB2 . 34428 1 1369 . 2 . 2 104 104 GLN HB3 H 1 2.15 0.02 . 1 . . . A A 613 GLN HB3 . 34428 1 1370 . 2 . 2 104 104 GLN HG2 H 1 2.441 0.02 . 1 . . . A A 613 GLN HG2 . 34428 1 1371 . 2 . 2 104 104 GLN HG3 H 1 2.441 0.02 . 1 . . . A A 613 GLN HG3 . 34428 1 1372 . 2 . 2 104 104 GLN HE21 H 1 7.506 0.02 . 2 . . . A A 613 GLN HE21 . 34428 1 1373 . 2 . 2 104 104 GLN HE22 H 1 6.861 0.02 . 2 . . . A A 613 GLN HE22 . 34428 1 1374 . 2 . 2 104 104 GLN C C 13 177.374 0.2 . 1 . . . A A 613 GLN C . 34428 1 1375 . 2 . 2 104 104 GLN CA C 13 58.144 0.2 . 1 . . . A A 613 GLN CA . 34428 1 1376 . 2 . 2 104 104 GLN CB C 13 28.445 0.2 . 1 . . . A A 613 GLN CB . 34428 1 1377 . 2 . 2 104 104 GLN CG C 13 34.088 0.2 . 1 . . . A A 613 GLN CG . 34428 1 1378 . 2 . 2 104 104 GLN N N 15 119.396 0.2 . 1 . . . A A 613 GLN N . 34428 1 1379 . 2 . 2 104 104 GLN NE2 N 15 112.076 0.2 . 1 . . . A A 613 GLN NE2 . 34428 1 1380 . 2 . 2 105 105 ASP H H 1 7.918 0.02 . 1 . . . A A 614 ASP H . 34428 1 1381 . 2 . 2 105 105 ASP HA H 1 4.499 0.02 . 1 . . . A A 614 ASP HA . 34428 1 1382 . 2 . 2 105 105 ASP HB2 H 1 2.801 0.02 . 1 . . . A A 614 ASP HB2 . 34428 1 1383 . 2 . 2 105 105 ASP HB3 H 1 2.801 0.02 . 1 . . . A A 614 ASP HB3 . 34428 1 1384 . 2 . 2 105 105 ASP C C 13 178.328 0.2 . 1 . . . A A 614 ASP C . 34428 1 1385 . 2 . 2 105 105 ASP CA C 13 56.549 0.2 . 1 . . . A A 614 ASP CA . 34428 1 1386 . 2 . 2 105 105 ASP CB C 13 41.26 0.2 . 1 . . . A A 614 ASP CB . 34428 1 1387 . 2 . 2 105 105 ASP N N 15 121.315 0.2 . 1 . . . A A 614 ASP N . 34428 1 1388 . 2 . 2 106 106 ILE H H 1 8.285 0.02 . 1 . . . A A 615 ILE H . 34428 1 1389 . 2 . 2 106 106 ILE HA H 1 4.195 0.02 . 1 . . . A A 615 ILE HA . 34428 1 1390 . 2 . 2 106 106 ILE HB H 1 1.815 0.02 . 1 . . . A A 615 ILE HB . 34428 1 1391 . 2 . 2 106 106 ILE HG12 H 1 1.584 0.02 . 2 . . . A A 615 ILE HG12 . 34428 1 1392 . 2 . 2 106 106 ILE HG13 H 1 0.966 0.02 . 2 . . . A A 615 ILE HG13 . 34428 1 1393 . 2 . 2 106 106 ILE HG21 H 1 0.75 0.02 . 1 . . . A A 615 ILE HG21 . 34428 1 1394 . 2 . 2 106 106 ILE HG22 H 1 0.75 0.02 . 1 . . . A A 615 ILE HG22 . 34428 1 1395 . 2 . 2 106 106 ILE HG23 H 1 0.75 0.02 . 1 . . . A A 615 ILE HG23 . 34428 1 1396 . 2 . 2 106 106 ILE HD11 H 1 0.756 0.02 . 1 . . . A A 615 ILE HD11 . 34428 1 1397 . 2 . 2 106 106 ILE HD12 H 1 0.756 0.02 . 1 . . . A A 615 ILE HD12 . 34428 1 1398 . 2 . 2 106 106 ILE HD13 H 1 0.756 0.02 . 1 . . . A A 615 ILE HD13 . 34428 1 1399 . 2 . 2 106 106 ILE C C 13 178.15 0.2 . 1 . . . A A 615 ILE C . 34428 1 1400 . 2 . 2 106 106 ILE CA C 13 64.319 0.2 . 1 . . . A A 615 ILE CA . 34428 1 1401 . 2 . 2 106 106 ILE CB C 13 38.594 0.2 . 1 . . . A A 615 ILE CB . 34428 1 1402 . 2 . 2 106 106 ILE CG1 C 13 28.293 0.2 . 1 . . . A A 615 ILE CG1 . 34428 1 1403 . 2 . 2 106 106 ILE CG2 C 13 17.124 0.2 . 1 . . . A A 615 ILE CG2 . 34428 1 1404 . 2 . 2 106 106 ILE CD1 C 13 14.622 0.2 . 1 . . . A A 615 ILE CD1 . 34428 1 1405 . 2 . 2 106 106 ILE N N 15 121.464 0.2 . 1 . . . A A 615 ILE N . 34428 1 1406 . 2 . 2 107 107 HIS H H 1 8.281 0.02 . 1 . . . A A 616 HIS H . 34428 1 1407 . 2 . 2 107 107 HIS HA H 1 4.534 0.02 . 1 . . . A A 616 HIS HA . 34428 1 1408 . 2 . 2 107 107 HIS HB2 H 1 3.184 0.02 . 2 . . . A A 616 HIS HB2 . 34428 1 1409 . 2 . 2 107 107 HIS HB3 H 1 3.274 0.02 . 2 . . . A A 616 HIS HB3 . 34428 1 1410 . 2 . 2 107 107 HIS HD2 H 1 7.055 0.02 . 1 . . . A A 616 HIS HD2 . 34428 1 1411 . 2 . 2 107 107 HIS HE1 H 1 8.004 0.02 . 1 . . . A A 616 HIS HE1 . 34428 1 1412 . 2 . 2 107 107 HIS C C 13 176.176 0.2 . 1 . . . A A 616 HIS C . 34428 1 1413 . 2 . 2 107 107 HIS CA C 13 57.131 0.2 . 1 . . . A A 616 HIS CA . 34428 1 1414 . 2 . 2 107 107 HIS CB C 13 29.28 0.2 . 1 . . . A A 616 HIS CB . 34428 1 1415 . 2 . 2 107 107 HIS CD2 C 13 119.437 0.2 . 1 . . . A A 616 HIS CD2 . 34428 1 1416 . 2 . 2 107 107 HIS CE1 C 13 137.531 0.2 . 1 . . . A A 616 HIS CE1 . 34428 1 1417 . 2 . 2 107 107 HIS N N 15 118.683 0.2 . 1 . . . A A 616 HIS N . 34428 1 1418 . 2 . 2 108 108 SER H H 1 8.205 0.02 . 1 . . . A A 617 SER H . 34428 1 1419 . 2 . 2 108 108 SER HA H 1 4.377 0.02 . 1 . . . A A 617 SER HA . 34428 1 1420 . 2 . 2 108 108 SER HB2 H 1 4 0.02 . 1 . . . A A 617 SER HB2 . 34428 1 1421 . 2 . 2 108 108 SER HB3 H 1 4 0.02 . 1 . . . A A 617 SER HB3 . 34428 1 1422 . 2 . 2 108 108 SER C C 13 175.025 0.2 . 1 . . . A A 617 SER C . 34428 1 1423 . 2 . 2 108 108 SER CA C 13 59.894 0.2 . 1 . . . A A 617 SER CA . 34428 1 1424 . 2 . 2 108 108 SER CB C 13 63.686 0.2 . 1 . . . A A 617 SER CB . 34428 1 1425 . 2 . 2 108 108 SER N N 15 115.676 0.2 . 1 . . . A A 617 SER N . 34428 1 1426 . 2 . 2 109 109 GLN H H 1 8.06 0.02 . 1 . . . A A 618 GLN H . 34428 1 1427 . 2 . 2 109 109 GLN HA H 1 4.316 0.02 . 1 . . . A A 618 GLN HA . 34428 1 1428 . 2 . 2 109 109 GLN HB2 H 1 2.143 0.02 . 1 . . . A A 618 GLN HB2 . 34428 1 1429 . 2 . 2 109 109 GLN HB3 H 1 2.143 0.02 . 1 . . . A A 618 GLN HB3 . 34428 1 1430 . 2 . 2 109 109 GLN HG2 H 1 2.421 0.02 . 1 . . . A A 618 GLN HG2 . 34428 1 1431 . 2 . 2 109 109 GLN HG3 H 1 2.421 0.02 . 1 . . . A A 618 GLN HG3 . 34428 1 1432 . 2 . 2 109 109 GLN HE21 H 1 7.48 0.02 . 2 . . . A A 618 GLN HE21 . 34428 1 1433 . 2 . 2 109 109 GLN HE22 H 1 6.78 0.02 . 2 . . . A A 618 GLN HE22 . 34428 1 1434 . 2 . 2 109 109 GLN C C 13 176.244 0.2 . 1 . . . A A 618 GLN C . 34428 1 1435 . 2 . 2 109 109 GLN CA C 13 56.376 0.2 . 1 . . . A A 618 GLN CA . 34428 1 1436 . 2 . 2 109 109 GLN CB C 13 28.91 0.2 . 1 . . . A A 618 GLN CB . 34428 1 1437 . 2 . 2 109 109 GLN CG C 13 33.756 0.2 . 1 . . . A A 618 GLN CG . 34428 1 1438 . 2 . 2 109 109 GLN N N 15 120.857 0.2 . 1 . . . A A 618 GLN N . 34428 1 1439 . 2 . 2 109 109 GLN NE2 N 15 112.279 0.2 . 1 . . . A A 618 GLN NE2 . 34428 1 1440 . 2 . 2 110 110 ARG H H 1 8.009 0.02 . 1 . . . A A 619 ARG H . 34428 1 1441 . 2 . 2 110 110 ARG HA H 1 4.343 0.02 . 1 . . . A A 619 ARG HA . 34428 1 1442 . 2 . 2 110 110 ARG HB2 H 1 1.853 0.02 . 1 . . . A A 619 ARG HB2 . 34428 1 1443 . 2 . 2 110 110 ARG HB3 H 1 1.853 0.02 . 1 . . . A A 619 ARG HB3 . 34428 1 1444 . 2 . 2 110 110 ARG HG2 H 1 1.622 0.02 . 1 . . . A A 619 ARG HG2 . 34428 1 1445 . 2 . 2 110 110 ARG HG3 H 1 1.622 0.02 . 1 . . . A A 619 ARG HG3 . 34428 1 1446 . 2 . 2 110 110 ARG HD2 H 1 3.181 0.02 . 1 . . . A A 619 ARG HD2 . 34428 1 1447 . 2 . 2 110 110 ARG HD3 H 1 3.181 0.02 . 1 . . . A A 619 ARG HD3 . 34428 1 1448 . 2 . 2 110 110 ARG C C 13 176.32 0.2 . 1 . . . A A 619 ARG C . 34428 1 1449 . 2 . 2 110 110 ARG CA C 13 56.343 0.2 . 1 . . . A A 619 ARG CA . 34428 1 1450 . 2 . 2 110 110 ARG CB C 13 31.11 0.2 . 1 . . . A A 619 ARG CB . 34428 1 1451 . 2 . 2 110 110 ARG CG C 13 27.173 0.2 . 1 . . . A A 619 ARG CG . 34428 1 1452 . 2 . 2 110 110 ARG CD C 13 43.452 0.2 . 1 . . . A A 619 ARG CD . 34428 1 1453 . 2 . 2 110 110 ARG N N 15 120.474 0.2 . 1 . . . A A 619 ARG N . 34428 1 1454 . 2 . 2 111 111 GLU H H 1 8.284 0.02 . 1 . . . A A 620 GLU H . 34428 1 1455 . 2 . 2 111 111 GLU HA H 1 4.292 0.02 . 1 . . . A A 620 GLU HA . 34428 1 1456 . 2 . 2 111 111 GLU HB2 H 1 2.036 0.02 . 1 . . . A A 620 GLU HB2 . 34428 1 1457 . 2 . 2 111 111 GLU HB3 H 1 2.036 0.02 . 1 . . . A A 620 GLU HB3 . 34428 1 1458 . 2 . 2 111 111 GLU HG2 H 1 2.288 0.02 . 1 . . . A A 620 GLU HG2 . 34428 1 1459 . 2 . 2 111 111 GLU HG3 H 1 2.288 0.02 . 1 . . . A A 620 GLU HG3 . 34428 1 1460 . 2 . 2 111 111 GLU C C 13 175.495 0.2 . 1 . . . A A 620 GLU C . 34428 1 1461 . 2 . 2 111 111 GLU CA C 13 56.656 0.2 . 1 . . . A A 620 GLU CA . 34428 1 1462 . 2 . 2 111 111 GLU CB C 13 30.191 0.2 . 1 . . . A A 620 GLU CB . 34428 1 1463 . 2 . 2 111 111 GLU CG C 13 36.289 0.2 . 1 . . . A A 620 GLU CG . 34428 1 1464 . 2 . 2 111 111 GLU N N 15 121.619 0.2 . 1 . . . A A 620 GLU N . 34428 1 1465 . 2 . 2 112 112 ARG H H 1 7.856 0.02 . 1 . . . A A 621 ARG H . 34428 1 1466 . 2 . 2 112 112 ARG HA H 1 4.151 0.02 . 1 . . . A A 621 ARG HA . 34428 1 1467 . 2 . 2 112 112 ARG HB2 H 1 1.831 0.02 . 1 . . . A A 621 ARG HB2 . 34428 1 1468 . 2 . 2 112 112 ARG HB3 H 1 1.831 0.02 . 1 . . . A A 621 ARG HB3 . 34428 1 1469 . 2 . 2 112 112 ARG HG2 H 1 1.595 0.02 . 1 . . . A A 621 ARG HG2 . 34428 1 1470 . 2 . 2 112 112 ARG HG3 H 1 1.595 0.02 . 1 . . . A A 621 ARG HG3 . 34428 1 1471 . 2 . 2 112 112 ARG HD2 H 1 3.187 0.02 . 1 . . . A A 621 ARG HD2 . 34428 1 1472 . 2 . 2 112 112 ARG HD3 H 1 3.187 0.02 . 1 . . . A A 621 ARG HD3 . 34428 1 1473 . 2 . 2 112 112 ARG C C 13 180.897 0.2 . 1 . . . A A 621 ARG C . 34428 1 1474 . 2 . 2 112 112 ARG CA C 13 57.538 0.2 . 1 . . . A A 621 ARG CA . 34428 1 1475 . 2 . 2 112 112 ARG CB C 13 31.356 0.2 . 1 . . . A A 621 ARG CB . 34428 1 1476 . 2 . 2 112 112 ARG CG C 13 27.12 0.2 . 1 . . . A A 621 ARG CG . 34428 1 1477 . 2 . 2 112 112 ARG CD C 13 43.481 0.2 . 1 . . . A A 621 ARG CD . 34428 1 1478 . 2 . 2 112 112 ARG N N 15 126.431 0.2 . 1 . . . A A 621 ARG N . 34428 1 stop_ save_