data_26517 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26517 _Entry.Title ; TAM DOMAIN OF TIP5_BAZ2A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-23 _Entry.Accession_date 2015-02-23 _Entry.Last_release_date 2015-04-28 _Entry.Original_release_date 2015-04-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 I. Anosova . . . 26517 2 S. Melnik . . . 26517 3 Kostas Tripsianes . . . 26517 4 F. Kateb . . . 26517 5 I. Grummt . . . 26517 6 M. Sattler . . . 26517 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . TripsianesGroup . 26517 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN RNA INTERACTI EPIGENETICS' . 26517 'RRNA GENE SILENCING' . 26517 'TAM DOMAIN' . 26517 TIP5/BAZ2A . 26517 TRANSCRIPTION . 26517 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26517 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 392 26517 '15N chemical shifts' 107 26517 '1H chemical shifts' 788 26517 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-04-28 . original BMRB . 26517 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5agq 'PDBe entry' 26517 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26517 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; A novel RNA binding surface of the TAM domain of TIP5/BAZ2A mediates epigenetic regulation of rRNA genes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 I. Anosova . . . 26517 1 2 S. Melnik . . . 26517 1 3 Kostas Tripsianes . . . 26517 1 4 F. Kateb . . . 26517 1 5 I. Grummt . . . 26517 1 6 M. Sattler . . . 26517 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26517 _Assembly.ID 1 _Assembly.Name 'TAM DOMAIN OF TIP5_BAZ2A' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 13011.8499 _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 'TAM DOMAIN OF TIP5_BAZ2A' 1 $entity_1 A . yes native no no . . . 26517 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26517 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RRRIATPEEVRLPLQHGWRR EVRIKKGSHRWQGETWYYGP CGKRMKQFPEVIKYLSRNVV HSVRREHFSFSPRMPVGDFF EERDTPEGLQWVQLSAEEIP SRIQAITGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'TAM DOMAIN, RESIDUES 543-650' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13011.8499 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP BAZ2A_HUMAN . Q9UIF9 . . . . . . . . . . . . . . 26517 1 2 no PDB 5AGQ . "Solution Structure Of The Tam Domain Of Human Tip5 Baz2a Involved In Epigenetic Regulation Of Rrna Genes" . . . . . 100.00 113 100.00 100.00 1.38e-72 . . . . 26517 1 3 no DBJ BAA20773 . "KIAA0314 protein [Homo sapiens]" . . . . . 99.08 1899 100.00 100.00 3.64e-67 . . . . 26517 1 4 no DBJ BAA89211 . "bromodomain adjacent to zinc finger domain 2A [Homo sapiens]" . . . . . 99.08 1878 99.07 100.00 8.76e-67 . . . . 26517 1 5 no DBJ BAC31656 . "unnamed protein product [Mus musculus]" . . . . . 83.49 181 100.00 100.00 4.12e-60 . . . . 26517 1 6 no DBJ BAE21532 . "unnamed protein product [Mus musculus]" . . . . . 99.08 764 99.07 100.00 6.03e-70 . . . . 26517 1 7 no DBJ BAE33307 . "unnamed protein product [Mus musculus]" . . . . . 99.08 704 99.07 100.00 5.74e-68 . . . . 26517 1 8 no EMBL CAC69992 . "TTF-I interacting protein 5 [Mus musculus]" . . . . . 99.08 1850 99.07 100.00 1.06e-66 . . . . 26517 1 9 no EMBL CAH18232 . "hypothetical protein [Homo sapiens]" . . . . . 99.08 1905 100.00 100.00 3.77e-67 . . . . 26517 1 10 no GB AAB60864 . "TTF-I interacting peptide 5 [Homo sapiens]" . . . . . 99.08 407 100.00 100.00 9.67e-74 . . . . 26517 1 11 no GB AAH20083 . "Baz2a protein, partial [Mus musculus]" . . . . . 99.08 706 99.07 100.00 7.03e-68 . . . . 26517 1 12 no GB AAH38012 . "Baz2a protein, partial [Mus musculus]" . . . . . 99.08 769 98.15 100.00 1.78e-66 . . . . 26517 1 13 no GB AAH48415 . "Baz2a protein, partial [Mus musculus]" . . . . . 99.08 709 99.07 100.00 7.63e-68 . . . . 26517 1 14 no GB AAI48496 . "Bromodomain adjacent to zinc finger domain, 2A, partial [synthetic construct]" . . . . . 99.08 1887 99.07 100.00 7.70e-67 . . . . 26517 1 15 no REF NP_001100628 . "bromodomain adjacent to zinc finger domain protein 2A [Rattus norvegicus]" . . . . . 99.08 1691 98.15 99.07 2.70e-66 . . . . 26517 1 16 no REF NP_001180159 . "bromodomain adjacent to zinc finger domain protein 2A [Bos taurus]" . . . . . 99.08 1898 99.07 100.00 8.38e-67 . . . . 26517 1 17 no REF NP_001287834 . "bromodomain adjacent to zinc finger domain protein 2A isoform 2 [Homo sapiens]" . . . . . 99.08 1903 100.00 100.00 3.48e-67 . . . . 26517 1 18 no REF NP_038477 . "bromodomain adjacent to zinc finger domain protein 2A isoform 1 [Homo sapiens]" . . . . . 99.08 1905 100.00 100.00 3.62e-67 . . . . 26517 1 19 no REF NP_473419 . "bromodomain adjacent to zinc finger domain protein 2A [Mus musculus]" . . . . . 99.08 1887 99.07 100.00 7.70e-67 . . . . 26517 1 20 no SP Q91YE5 . "RecName: Full=Bromodomain adjacent to zinc finger domain protein 2A; AltName: Full=Transcription termination factor I-interacti" . . . . . 99.08 1889 99.07 100.00 7.71e-67 . . . . 26517 1 21 no SP Q9UIF9 . "RecName: Full=Bromodomain adjacent to zinc finger domain protein 2A; AltName: Full=Transcription termination factor I-interacti" . . . . . 99.08 1905 100.00 100.00 3.62e-67 . . . . 26517 1 22 no TPG DAA29585 . "TPA: bromodomain adjacent to zinc finger domain, 2A [Bos taurus]" . . . . . 99.08 2013 99.07 100.00 2.14e-66 . . . . 26517 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 516 ARG . 26517 1 2 517 ARG . 26517 1 3 518 ARG . 26517 1 4 519 ILE . 26517 1 5 520 ALA . 26517 1 6 521 THR . 26517 1 7 522 PRO . 26517 1 8 523 GLU . 26517 1 9 524 GLU . 26517 1 10 525 VAL . 26517 1 11 526 ARG . 26517 1 12 527 LEU . 26517 1 13 528 PRO . 26517 1 14 529 LEU . 26517 1 15 530 GLN . 26517 1 16 531 HIS . 26517 1 17 532 GLY . 26517 1 18 533 TRP . 26517 1 19 534 ARG . 26517 1 20 535 ARG . 26517 1 21 536 GLU . 26517 1 22 537 VAL . 26517 1 23 538 ARG . 26517 1 24 539 ILE . 26517 1 25 540 LYS . 26517 1 26 541 LYS . 26517 1 27 542 GLY . 26517 1 28 543 SER . 26517 1 29 544 HIS . 26517 1 30 545 ARG . 26517 1 31 546 TRP . 26517 1 32 547 GLN . 26517 1 33 548 GLY . 26517 1 34 549 GLU . 26517 1 35 550 THR . 26517 1 36 551 TRP . 26517 1 37 552 TYR . 26517 1 38 553 TYR . 26517 1 39 554 GLY . 26517 1 40 555 PRO . 26517 1 41 556 CYS . 26517 1 42 557 GLY . 26517 1 43 558 LYS . 26517 1 44 559 ARG . 26517 1 45 560 MET . 26517 1 46 561 LYS . 26517 1 47 562 GLN . 26517 1 48 563 PHE . 26517 1 49 564 PRO . 26517 1 50 565 GLU . 26517 1 51 566 VAL . 26517 1 52 567 ILE . 26517 1 53 568 LYS . 26517 1 54 569 TYR . 26517 1 55 570 LEU . 26517 1 56 571 SER . 26517 1 57 572 ARG . 26517 1 58 573 ASN . 26517 1 59 574 VAL . 26517 1 60 575 VAL . 26517 1 61 576 HIS . 26517 1 62 577 SER . 26517 1 63 578 VAL . 26517 1 64 579 ARG . 26517 1 65 580 ARG . 26517 1 66 581 GLU . 26517 1 67 582 HIS . 26517 1 68 583 PHE . 26517 1 69 584 SER . 26517 1 70 585 PHE . 26517 1 71 586 SER . 26517 1 72 587 PRO . 26517 1 73 588 ARG . 26517 1 74 589 MET . 26517 1 75 590 PRO . 26517 1 76 591 VAL . 26517 1 77 592 GLY . 26517 1 78 593 ASP . 26517 1 79 594 PHE . 26517 1 80 595 PHE . 26517 1 81 596 GLU . 26517 1 82 597 GLU . 26517 1 83 598 ARG . 26517 1 84 599 ASP . 26517 1 85 600 THR . 26517 1 86 601 PRO . 26517 1 87 602 GLU . 26517 1 88 603 GLY . 26517 1 89 604 LEU . 26517 1 90 605 GLN . 26517 1 91 606 TRP . 26517 1 92 607 VAL . 26517 1 93 608 GLN . 26517 1 94 609 LEU . 26517 1 95 610 SER . 26517 1 96 611 ALA . 26517 1 97 612 GLU . 26517 1 98 613 GLU . 26517 1 99 614 ILE . 26517 1 100 615 PRO . 26517 1 101 616 SER . 26517 1 102 617 ARG . 26517 1 103 618 ILE . 26517 1 104 619 GLN . 26517 1 105 620 ALA . 26517 1 106 621 ILE . 26517 1 107 622 THR . 26517 1 108 623 GLY . 26517 1 109 624 SER . 26517 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 . ARG 1 1 26517 1 . ARG 2 2 26517 1 . ARG 3 3 26517 1 . ILE 4 4 26517 1 . ALA 5 5 26517 1 . THR 6 6 26517 1 . PRO 7 7 26517 1 . GLU 8 8 26517 1 . GLU 9 9 26517 1 . VAL 10 10 26517 1 . ARG 11 11 26517 1 . LEU 12 12 26517 1 . PRO 13 13 26517 1 . LEU 14 14 26517 1 . GLN 15 15 26517 1 . HIS 16 16 26517 1 . GLY 17 17 26517 1 . TRP 18 18 26517 1 . ARG 19 19 26517 1 . ARG 20 20 26517 1 . GLU 21 21 26517 1 . VAL 22 22 26517 1 . ARG 23 23 26517 1 . ILE 24 24 26517 1 . LYS 25 25 26517 1 . LYS 26 26 26517 1 . GLY 27 27 26517 1 . SER 28 28 26517 1 . HIS 29 29 26517 1 . ARG 30 30 26517 1 . TRP 31 31 26517 1 . GLN 32 32 26517 1 . GLY 33 33 26517 1 . GLU 34 34 26517 1 . THR 35 35 26517 1 . TRP 36 36 26517 1 . TYR 37 37 26517 1 . TYR 38 38 26517 1 . GLY 39 39 26517 1 . PRO 40 40 26517 1 . CYS 41 41 26517 1 . GLY 42 42 26517 1 . LYS 43 43 26517 1 . ARG 44 44 26517 1 . MET 45 45 26517 1 . LYS 46 46 26517 1 . GLN 47 47 26517 1 . PHE 48 48 26517 1 . PRO 49 49 26517 1 . GLU 50 50 26517 1 . VAL 51 51 26517 1 . ILE 52 52 26517 1 . LYS 53 53 26517 1 . TYR 54 54 26517 1 . LEU 55 55 26517 1 . SER 56 56 26517 1 . ARG 57 57 26517 1 . ASN 58 58 26517 1 . VAL 59 59 26517 1 . VAL 60 60 26517 1 . HIS 61 61 26517 1 . SER 62 62 26517 1 . VAL 63 63 26517 1 . ARG 64 64 26517 1 . ARG 65 65 26517 1 . GLU 66 66 26517 1 . HIS 67 67 26517 1 . PHE 68 68 26517 1 . SER 69 69 26517 1 . PHE 70 70 26517 1 . SER 71 71 26517 1 . PRO 72 72 26517 1 . ARG 73 73 26517 1 . MET 74 74 26517 1 . PRO 75 75 26517 1 . VAL 76 76 26517 1 . GLY 77 77 26517 1 . ASP 78 78 26517 1 . PHE 79 79 26517 1 . PHE 80 80 26517 1 . GLU 81 81 26517 1 . GLU 82 82 26517 1 . ARG 83 83 26517 1 . ASP 84 84 26517 1 . THR 85 85 26517 1 . PRO 86 86 26517 1 . GLU 87 87 26517 1 . GLY 88 88 26517 1 . LEU 89 89 26517 1 . GLN 90 90 26517 1 . TRP 91 91 26517 1 . VAL 92 92 26517 1 . GLN 93 93 26517 1 . LEU 94 94 26517 1 . SER 95 95 26517 1 . ALA 96 96 26517 1 . GLU 97 97 26517 1 . GLU 98 98 26517 1 . ILE 99 99 26517 1 . PRO 100 100 26517 1 . SER 101 101 26517 1 . ARG 102 102 26517 1 . ILE 103 103 26517 1 . GLN 104 104 26517 1 . ALA 105 105 26517 1 . ILE 106 106 26517 1 . THR 107 107 26517 1 . GLY 108 108 26517 1 . SER 109 109 26517 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26517 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26517 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 26517 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'ESCHERICHIA COLI' 'ESCHERICHIA COLI' . 469008 ESCHERICHIA COLI BL21(DE3) . . . . . . . . . 26517 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_new_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_new_1 _Sample.Entry_ID 26517 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'TAM 0.6 mmol/l' _Sample.Aggregate_sample_number . _Sample.Solvent_system '20MM SODIUM PHOSPHATE PH 7.0, 50MM NACL, 1MM DTT, 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 TAM '[U-13C; U-15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 26517 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26517 1 3 NACL 'natural abundance' . . . . . . 50 . . mM . . . . 26517 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26517 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_new_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_new_1 _Sample_condition_list.Entry_ID 26517 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [7.0], temp [293.0], pressure [1.0], ionStrength [100.0]' 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' 100.000 . mM 26517 1 pH 7.000 . pH 26517 1 pressure 1.000 . atm 26517 1 temperature 293.000 . K 26517 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 26517 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 26517 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26517 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 26517 _Software.ID 2 _Software.Name CNS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 26517 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26517 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 26517 _Software.ID 3 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 26517 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26517 3 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26517 _Software.ID 4 _Software.Name CcpNmr_Analysis _Software.Version 2.3 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 26517 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26517 4 'data analysis' 26517 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26517 _Software.ID 5 _Software.Name SPARKY _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26517 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26517 5 stop_ save_ save_method_ARIA _Method.Sf_category method _Method.Sf_framecode method_ARIA _Method.Entry_ID 26517 _Method.ID 1 _Method.Derivation_type . _Method.Details ARIA2 _Method.Computer_ID . _Method.Computer_label . save_ save_method_CNS _Method.Sf_category method _Method.Sf_framecode method_CNS _Method.Entry_ID 26517 _Method.ID 2 _Method.Derivation_type . _Method.Details CNS _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_BRUKER_AVANCE-900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode BRUKER_AVANCE-900 _NMR_spectrometer.Entry_ID 26517 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 26517 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 BRUKER_AVANCE-900 BRUKER AVANCE . 900 . . . 26517 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 26517 _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 15N-HSQC no . . . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-900 . . . . . . . . . . . . . . . . 26517 1 2 13C-HSQC no . . . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-900 . . . . . . . . . . . . . . . . 26517 1 3 HNCACB no . . . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-900 . . . . . . . . . . . . . . . . 26517 1 4 HN(CO)CACB no . . . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-900 . . . . . . . . . . . . . . . . 26517 1 5 CC(CO)NH-TOCSY no . . . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-900 . . . . . . . . . . . . . . . . 26517 1 6 HCCH-TOCSY no . . . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-900 . . . . . . . . . . . . . . . . 26517 1 7 '15N-EDITED 3D NOESY' no . . . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-900 . . . . . . . . . . . . . . . . 26517 1 8 '13C-EDITED 3D NOESY (ALIPHATICS)' no . . . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-900 . . . . . . . . . . . . . . . . 26517 1 9 '13C-EDITED 3D NOESY (AROMATICS)' no . . . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-900 . . . . . . . . . . . . . . . . 26517 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26517 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 26517 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 26517 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 26517 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26517 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_new_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin xeasy file /home/kostas/anosova/DEPOSITION/TAM.prot' _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 15N-HSQC . . . 26517 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG H H 1 8.394 0.020 . 1 . 2 . . 516 ARG H . 26517 1 2 . 1 1 1 1 ARG HA H 1 4.384 0.020 . 1 . 4 . . 516 ARG HA . 26517 1 3 . 1 1 1 1 ARG HD2 H 1 3.140 0.020 . 1 . 6 . . 516 ARG HD2 . 26517 1 4 . 1 1 1 1 ARG HD3 H 1 3.140 0.020 . 1 . 1115 . . 516 ARG HD3 . 26517 1 5 . 1 1 1 1 ARG CA C 13 55.638 0.200 . 1 . 3 . . 516 ARG CA . 26517 1 6 . 1 1 1 1 ARG CD C 13 43.302 0.200 . 1 . 5 . . 516 ARG CD . 26517 1 7 . 1 1 1 1 ARG N N 15 122.789 0.015 . 1 . 1 . . 516 ARG N . 26517 1 8 . 1 1 2 2 ARG H H 1 8.374 0.016 . 1 . 8 . . 517 ARG H . 26517 1 9 . 1 1 2 2 ARG HA H 1 4.274 0.014 . 1 . 10 . . 517 ARG HA . 26517 1 10 . 1 1 2 2 ARG HB2 H 1 1.776 0.001 . 2 . 12 . . 517 ARG HB2 . 26517 1 11 . 1 1 2 2 ARG HB3 H 1 1.720 0.002 . 2 . 13 . . 517 ARG HB3 . 26517 1 12 . 1 1 2 2 ARG HG2 H 1 1.591 0.020 . 1 . 14 . . 517 ARG HG2 . 26517 1 13 . 1 1 2 2 ARG HG3 H 1 1.591 0.020 . 1 . 1117 . . 517 ARG HG3 . 26517 1 14 . 1 1 2 2 ARG HD2 H 1 3.136 0.020 . 1 . 15 . . 517 ARG HD2 . 26517 1 15 . 1 1 2 2 ARG HD3 H 1 3.136 0.020 . 1 . 1116 . . 517 ARG HD3 . 26517 1 16 . 1 1 2 2 ARG CA C 13 56.001 0.002 . 1 . 9 . . 517 ARG CA . 26517 1 17 . 1 1 2 2 ARG CB C 13 30.890 0.086 . 1 . 11 . . 517 ARG CB . 26517 1 18 . 1 1 2 2 ARG N N 15 122.915 0.045 . 1 . 7 . . 517 ARG N . 26517 1 19 . 1 1 3 3 ARG H H 1 8.397 0.001 . 1 . 17 . . 518 ARG H . 26517 1 20 . 1 1 3 3 ARG HA H 1 4.325 0.004 . 1 . 19 . . 518 ARG HA . 26517 1 21 . 1 1 3 3 ARG HB2 H 1 1.740 0.020 . 1 . 20 . . 518 ARG HB2 . 26517 1 22 . 1 1 3 3 ARG HB3 H 1 1.740 0.020 . 1 . 1118 . . 518 ARG HB3 . 26517 1 23 . 1 1 3 3 ARG HG2 H 1 1.546 0.020 . 1 . 22 . . 518 ARG HG2 . 26517 1 24 . 1 1 3 3 ARG HG3 H 1 1.546 0.020 . 1 . 1120 . . 518 ARG HG3 . 26517 1 25 . 1 1 3 3 ARG HD2 H 1 3.132 0.020 . 1 . 23 . . 518 ARG HD2 . 26517 1 26 . 1 1 3 3 ARG HD3 H 1 3.132 0.020 . 1 . 1119 . . 518 ARG HD3 . 26517 1 27 . 1 1 3 3 ARG CA C 13 55.921 0.076 . 1 . 18 . . 518 ARG CA . 26517 1 28 . 1 1 3 3 ARG CG C 13 27.062 0.200 . 1 . 21 . . 518 ARG CG . 26517 1 29 . 1 1 3 3 ARG N N 15 123.498 0.019 . 1 . 16 . . 518 ARG N . 26517 1 30 . 1 1 4 4 ILE H H 1 8.318 0.008 . 1 . 25 . . 519 ILE H . 26517 1 31 . 1 1 4 4 ILE HA H 1 4.191 0.002 . 1 . 27 . . 519 ILE HA . 26517 1 32 . 1 1 4 4 ILE HB H 1 1.811 0.007 . 1 . 29 . . 519 ILE HB . 26517 1 33 . 1 1 4 4 ILE HG12 H 1 1.441 0.016 . 2 . 33 . . 519 ILE HG12 . 26517 1 34 . 1 1 4 4 ILE HG13 H 1 1.149 0.009 . 2 . 34 . . 519 ILE HG13 . 26517 1 35 . 1 1 4 4 ILE HG21 H 1 0.895 0.026 . 1 . 30 . . 519 ILE HG21 . 26517 1 36 . 1 1 4 4 ILE HG22 H 1 0.895 0.026 . 1 . 30 . . 519 ILE HG22 . 26517 1 37 . 1 1 4 4 ILE HG23 H 1 0.895 0.026 . 1 . 30 . . 519 ILE HG23 . 26517 1 38 . 1 1 4 4 ILE HD11 H 1 0.831 0.026 . 1 . 35 . . 519 ILE HD11 . 26517 1 39 . 1 1 4 4 ILE HD12 H 1 0.831 0.026 . 1 . 35 . . 519 ILE HD12 . 26517 1 40 . 1 1 4 4 ILE HD13 H 1 0.831 0.026 . 1 . 35 . . 519 ILE HD13 . 26517 1 41 . 1 1 4 4 ILE CA C 13 60.493 0.030 . 1 . 26 . . 519 ILE CA . 26517 1 42 . 1 1 4 4 ILE CB C 13 38.912 0.026 . 1 . 28 . . 519 ILE CB . 26517 1 43 . 1 1 4 4 ILE CG1 C 13 26.968 0.046 . 1 . 32 . . 519 ILE CG1 . 26517 1 44 . 1 1 4 4 ILE CG2 C 13 17.476 0.026 . 1 . 31 . . 519 ILE CG2 . 26517 1 45 . 1 1 4 4 ILE CD1 C 13 12.841 0.081 . 1 . 36 . . 519 ILE CD1 . 26517 1 46 . 1 1 4 4 ILE N N 15 124.445 0.017 . 1 . 24 . . 519 ILE N . 26517 1 47 . 1 1 5 5 ALA H H 1 8.331 0.016 . 1 . 38 . . 520 ALA H . 26517 1 48 . 1 1 5 5 ALA HA H 1 4.519 0.020 . 1 . 40 . . 520 ALA HA . 26517 1 49 . 1 1 5 5 ALA HB1 H 1 1.295 0.020 . 1 . 41 . . 520 ALA HB1 . 26517 1 50 . 1 1 5 5 ALA HB2 H 1 1.295 0.020 . 1 . 41 . . 520 ALA HB2 . 26517 1 51 . 1 1 5 5 ALA HB3 H 1 1.295 0.020 . 1 . 41 . . 520 ALA HB3 . 26517 1 52 . 1 1 5 5 ALA CA C 13 52.255 0.048 . 1 . 39 . . 520 ALA CA . 26517 1 53 . 1 1 5 5 ALA CB C 13 19.378 0.004 . 1 . 42 . . 520 ALA CB . 26517 1 54 . 1 1 5 5 ALA N N 15 129.636 0.020 . 1 . 37 . . 520 ALA N . 26517 1 55 . 1 1 6 6 THR H H 1 8.608 0.020 . 1 . 44 . . 521 THR H . 26517 1 56 . 1 1 6 6 THR HA H 1 4.660 0.002 . 1 . 46 . . 521 THR HA . 26517 1 57 . 1 1 6 6 THR HB H 1 4.652 0.006 . 1 . 48 . . 521 THR HB . 26517 1 58 . 1 1 6 6 THR HG21 H 1 1.284 0.006 . 1 . 49 . . 521 THR HG21 . 26517 1 59 . 1 1 6 6 THR HG22 H 1 1.284 0.006 . 1 . 49 . . 521 THR HG22 . 26517 1 60 . 1 1 6 6 THR HG23 H 1 1.284 0.006 . 1 . 49 . . 521 THR HG23 . 26517 1 61 . 1 1 6 6 THR CA C 13 59.343 0.020 . 1 . 45 . . 521 THR CA . 26517 1 62 . 1 1 6 6 THR CB C 13 68.758 0.032 . 1 . 47 . . 521 THR CB . 26517 1 63 . 1 1 6 6 THR CG2 C 13 22.074 0.008 . 1 . 50 . . 521 THR CG2 . 26517 1 64 . 1 1 6 6 THR N N 15 113.474 0.022 . 1 . 43 . . 521 THR N . 26517 1 65 . 1 1 7 7 PRO HA H 1 4.238 0.023 . 1 . 53 . . 522 PRO HA . 26517 1 66 . 1 1 7 7 PRO HB2 H 1 2.068 0.008 . 2 . 55 . . 522 PRO HB2 . 26517 1 67 . 1 1 7 7 PRO HB3 H 1 1.832 0.001 . 2 . 56 . . 522 PRO HB3 . 26517 1 68 . 1 1 7 7 PRO HG2 H 1 2.161 0.020 . 2 . 58 . . 522 PRO HG2 . 26517 1 69 . 1 1 7 7 PRO HG3 H 1 1.884 0.020 . 2 . 59 . . 522 PRO HG3 . 26517 1 70 . 1 1 7 7 PRO HD2 H 1 3.863 0.004 . 1 . 60 . . 522 PRO HD2 . 26517 1 71 . 1 1 7 7 PRO HD3 H 1 3.863 0.004 . 1 . 1121 . . 522 PRO HD3 . 26517 1 72 . 1 1 7 7 PRO CA C 13 65.805 0.053 . 1 . 52 . . 522 PRO CA . 26517 1 73 . 1 1 7 7 PRO CB C 13 31.425 0.179 . 1 . 54 . . 522 PRO CB . 26517 1 74 . 1 1 7 7 PRO CG C 13 28.199 0.175 . 1 . 57 . . 522 PRO CG . 26517 1 75 . 1 1 7 7 PRO CD C 13 50.182 0.127 . 1 . 51 . . 522 PRO CD . 26517 1 76 . 1 1 8 8 GLU H H 1 8.290 0.005 . 1 . 62 . . 523 GLU H . 26517 1 77 . 1 1 8 8 GLU HA H 1 3.790 0.006 . 1 . 64 . . 523 GLU HA . 26517 1 78 . 1 1 8 8 GLU HB2 H 1 1.984 0.008 . 2 . 66 . . 523 GLU HB2 . 26517 1 79 . 1 1 8 8 GLU HB3 H 1 1.840 0.015 . 2 . 67 . . 523 GLU HB3 . 26517 1 80 . 1 1 8 8 GLU HG2 H 1 2.343 0.004 . 2 . 69 . . 523 GLU HG2 . 26517 1 81 . 1 1 8 8 GLU HG3 H 1 2.187 0.008 . 2 . 70 . . 523 GLU HG3 . 26517 1 82 . 1 1 8 8 GLU CA C 13 60.245 0.029 . 1 . 63 . . 523 GLU CA . 26517 1 83 . 1 1 8 8 GLU CB C 13 28.982 0.072 . 1 . 65 . . 523 GLU CB . 26517 1 84 . 1 1 8 8 GLU CG C 13 36.891 0.053 . 1 . 68 . . 523 GLU CG . 26517 1 85 . 1 1 8 8 GLU N N 15 114.630 0.017 . 1 . 61 . . 523 GLU N . 26517 1 86 . 1 1 9 9 GLU H H 1 7.643 0.009 . 1 . 72 . . 524 GLU H . 26517 1 87 . 1 1 9 9 GLU HA H 1 3.906 0.003 . 1 . 74 . . 524 GLU HA . 26517 1 88 . 1 1 9 9 GLU HB2 H 1 2.465 0.020 . 2 . 76 . . 524 GLU HB2 . 26517 1 89 . 1 1 9 9 GLU HB3 H 1 1.851 0.006 . 2 . 77 . . 524 GLU HB3 . 26517 1 90 . 1 1 9 9 GLU HG2 H 1 2.304 0.011 . 2 . 79 . . 524 GLU HG2 . 26517 1 91 . 1 1 9 9 GLU HG3 H 1 2.160 0.020 . 2 . 80 . . 524 GLU HG3 . 26517 1 92 . 1 1 9 9 GLU CA C 13 59.282 0.053 . 1 . 73 . . 524 GLU CA . 26517 1 93 . 1 1 9 9 GLU CB C 13 30.160 0.068 . 1 . 75 . . 524 GLU CB . 26517 1 94 . 1 1 9 9 GLU CG C 13 37.605 0.068 . 1 . 78 . . 524 GLU CG . 26517 1 95 . 1 1 9 9 GLU N N 15 119.787 0.057 . 1 . 71 . . 524 GLU N . 26517 1 96 . 1 1 10 10 VAL H H 1 7.874 0.005 . 1 . 82 . . 525 VAL H . 26517 1 97 . 1 1 10 10 VAL HA H 1 3.965 0.011 . 1 . 84 . . 525 VAL HA . 26517 1 98 . 1 1 10 10 VAL HB H 1 1.966 0.019 . 1 . 86 . . 525 VAL HB . 26517 1 99 . 1 1 10 10 VAL HG11 H 1 0.819 0.001 . 2 . 87 . . 525 VAL HG11 . 26517 1 100 . 1 1 10 10 VAL HG12 H 1 0.819 0.001 . 2 . 87 . . 525 VAL HG12 . 26517 1 101 . 1 1 10 10 VAL HG13 H 1 0.819 0.001 . 2 . 87 . . 525 VAL HG13 . 26517 1 102 . 1 1 10 10 VAL HG21 H 1 0.804 0.019 . 2 . 88 . . 525 VAL HG21 . 26517 1 103 . 1 1 10 10 VAL HG22 H 1 0.804 0.019 . 2 . 88 . . 525 VAL HG22 . 26517 1 104 . 1 1 10 10 VAL HG23 H 1 0.804 0.019 . 2 . 88 . . 525 VAL HG23 . 26517 1 105 . 1 1 10 10 VAL CA C 13 63.086 0.015 . 1 . 83 . . 525 VAL CA . 26517 1 106 . 1 1 10 10 VAL CB C 13 31.735 0.089 . 1 . 85 . . 525 VAL CB . 26517 1 107 . 1 1 10 10 VAL CG1 C 13 21.479 0.010 . 2 . 89 . . 525 VAL CG1 . 26517 1 108 . 1 1 10 10 VAL CG2 C 13 24.843 0.029 . 2 . 90 . . 525 VAL CG2 . 26517 1 109 . 1 1 10 10 VAL N N 15 117.359 0.190 . 1 . 81 . . 525 VAL N . 26517 1 110 . 1 1 11 11 ARG H H 1 7.869 0.006 . 1 . 92 . . 526 ARG H . 26517 1 111 . 1 1 11 11 ARG HA H 1 3.950 0.001 . 1 . 94 . . 526 ARG HA . 26517 1 112 . 1 1 11 11 ARG HB2 H 1 1.804 0.001 . 1 . 96 . . 526 ARG HB2 . 26517 1 113 . 1 1 11 11 ARG HB3 H 1 1.804 0.001 . 1 . 1122 . . 526 ARG HB3 . 26517 1 114 . 1 1 11 11 ARG HG2 H 1 1.794 0.020 . 2 . 98 . . 526 ARG HG2 . 26517 1 115 . 1 1 11 11 ARG HG3 H 1 1.608 0.005 . 2 . 99 . . 526 ARG HG3 . 26517 1 116 . 1 1 11 11 ARG HD2 H 1 3.160 0.003 . 2 . 101 . . 526 ARG HD2 . 26517 1 117 . 1 1 11 11 ARG HD3 H 1 3.050 0.020 . 2 . 102 . . 526 ARG HD3 . 26517 1 118 . 1 1 11 11 ARG CA C 13 58.174 0.007 . 1 . 93 . . 526 ARG CA . 26517 1 119 . 1 1 11 11 ARG CB C 13 31.030 0.200 . 1 . 95 . . 526 ARG CB . 26517 1 120 . 1 1 11 11 ARG CG C 13 29.695 0.107 . 1 . 97 . . 526 ARG CG . 26517 1 121 . 1 1 11 11 ARG CD C 13 43.660 0.200 . 1 . 100 . . 526 ARG CD . 26517 1 122 . 1 1 11 11 ARG N N 15 117.426 0.052 . 1 . 91 . . 526 ARG N . 26517 1 123 . 1 1 12 12 LEU H H 1 7.412 0.019 . 1 . 104 . . 527 LEU H . 26517 1 124 . 1 1 12 12 LEU HA H 1 4.158 0.010 . 1 . 106 . . 527 LEU HA . 26517 1 125 . 1 1 12 12 LEU HB2 H 1 1.651 0.001 . 2 . 108 . . 527 LEU HB2 . 26517 1 126 . 1 1 12 12 LEU HB3 H 1 1.485 0.008 . 2 . 109 . . 527 LEU HB3 . 26517 1 127 . 1 1 12 12 LEU HG H 1 1.519 0.005 . 1 . 111 . . 527 LEU HG . 26517 1 128 . 1 1 12 12 LEU HD11 H 1 0.672 0.005 . 2 . 112 . . 527 LEU HD11 . 26517 1 129 . 1 1 12 12 LEU HD12 H 1 0.672 0.005 . 2 . 112 . . 527 LEU HD12 . 26517 1 130 . 1 1 12 12 LEU HD13 H 1 0.672 0.005 . 2 . 112 . . 527 LEU HD13 . 26517 1 131 . 1 1 12 12 LEU HD21 H 1 0.442 0.008 . 2 . 113 . . 527 LEU HD21 . 26517 1 132 . 1 1 12 12 LEU HD22 H 1 0.442 0.008 . 2 . 113 . . 527 LEU HD22 . 26517 1 133 . 1 1 12 12 LEU HD23 H 1 0.442 0.008 . 2 . 113 . . 527 LEU HD23 . 26517 1 134 . 1 1 12 12 LEU CA C 13 60.315 0.147 . 1 . 105 . . 527 LEU CA . 26517 1 135 . 1 1 12 12 LEU CB C 13 38.887 0.028 . 1 . 107 . . 527 LEU CB . 26517 1 136 . 1 1 12 12 LEU CG C 13 26.936 0.054 . 1 . 110 . . 527 LEU CG . 26517 1 137 . 1 1 12 12 LEU CD1 C 13 24.518 0.008 . 2 . 114 . . 527 LEU CD1 . 26517 1 138 . 1 1 12 12 LEU CD2 C 13 23.666 0.013 . 2 . 115 . . 527 LEU CD2 . 26517 1 139 . 1 1 12 12 LEU N N 15 121.740 0.043 . 1 . 103 . . 527 LEU N . 26517 1 140 . 1 1 13 13 PRO HA H 1 3.918 0.009 . 1 . 118 . . 528 PRO HA . 26517 1 141 . 1 1 13 13 PRO HB2 H 1 1.275 0.009 . 2 . 120 . . 528 PRO HB2 . 26517 1 142 . 1 1 13 13 PRO HB3 H 1 1.026 0.011 . 2 . 121 . . 528 PRO HB3 . 26517 1 143 . 1 1 13 13 PRO HG2 H 1 0.825 0.009 . 1 . 123 . . 528 PRO HG2 . 26517 1 144 . 1 1 13 13 PRO HG3 H 1 0.825 0.009 . 1 . 1123 . . 528 PRO HG3 . 26517 1 145 . 1 1 13 13 PRO HD2 H 1 3.691 0.026 . 2 . 124 . . 528 PRO HD2 . 26517 1 146 . 1 1 13 13 PRO HD3 H 1 3.336 0.009 . 2 . 125 . . 528 PRO HD3 . 26517 1 147 . 1 1 13 13 PRO CA C 13 66.502 0.053 . 1 . 117 . . 528 PRO CA . 26517 1 148 . 1 1 13 13 PRO CB C 13 29.699 0.060 . 1 . 119 . . 528 PRO CB . 26517 1 149 . 1 1 13 13 PRO CG C 13 28.989 0.050 . 1 . 122 . . 528 PRO CG . 26517 1 150 . 1 1 13 13 PRO CD C 13 50.082 0.064 . 1 . 116 . . 528 PRO CD . 26517 1 151 . 1 1 14 14 LEU H H 1 7.073 0.014 . 1 . 127 . . 529 LEU H . 26517 1 152 . 1 1 14 14 LEU HA H 1 4.760 0.017 . 1 . 129 . . 529 LEU HA . 26517 1 153 . 1 1 14 14 LEU HB2 H 1 1.928 0.005 . 2 . 131 . . 529 LEU HB2 . 26517 1 154 . 1 1 14 14 LEU HB3 H 1 1.837 0.009 . 2 . 132 . . 529 LEU HB3 . 26517 1 155 . 1 1 14 14 LEU HG H 1 1.909 0.020 . 1 . 134 . . 529 LEU HG . 26517 1 156 . 1 1 14 14 LEU HD11 H 1 0.873 0.004 . 1 . 135 . . 529 LEU HD11 . 26517 1 157 . 1 1 14 14 LEU HD12 H 1 0.873 0.004 . 1 . 135 . . 529 LEU HD12 . 26517 1 158 . 1 1 14 14 LEU HD13 H 1 0.873 0.004 . 1 . 135 . . 529 LEU HD13 . 26517 1 159 . 1 1 14 14 LEU HD21 H 1 0.873 0.004 . 1 . 136 . . 529 LEU HD21 . 26517 1 160 . 1 1 14 14 LEU HD22 H 1 0.873 0.004 . 1 . 136 . . 529 LEU HD22 . 26517 1 161 . 1 1 14 14 LEU HD23 H 1 0.873 0.004 . 1 . 136 . . 529 LEU HD23 . 26517 1 162 . 1 1 14 14 LEU CA C 13 57.114 0.056 . 1 . 128 . . 529 LEU CA . 26517 1 163 . 1 1 14 14 LEU CB C 13 39.716 0.054 . 1 . 130 . . 529 LEU CB . 26517 1 164 . 1 1 14 14 LEU CG C 13 29.435 0.063 . 1 . 133 . . 529 LEU CG . 26517 1 165 . 1 1 14 14 LEU CD1 C 13 24.956 0.078 . 1 . 137 . . 529 LEU CD1 . 26517 1 166 . 1 1 14 14 LEU CD2 C 13 24.956 0.078 . 1 . 138 . . 529 LEU CD2 . 26517 1 167 . 1 1 14 14 LEU N N 15 116.649 0.017 . 1 . 126 . . 529 LEU N . 26517 1 168 . 1 1 15 15 GLN H H 1 7.872 0.006 . 1 . 140 . . 530 GLN H . 26517 1 169 . 1 1 15 15 GLN HA H 1 4.317 0.002 . 1 . 142 . . 530 GLN HA . 26517 1 170 . 1 1 15 15 GLN HB2 H 1 2.018 0.013 . 1 . 144 . . 530 GLN HB2 . 26517 1 171 . 1 1 15 15 GLN HB3 H 1 2.018 0.013 . 1 . 1124 . . 530 GLN HB3 . 26517 1 172 . 1 1 15 15 GLN HG2 H 1 2.342 0.020 . 2 . 146 . . 530 GLN HG2 . 26517 1 173 . 1 1 15 15 GLN HG3 H 1 2.283 0.020 . 2 . 147 . . 530 GLN HG3 . 26517 1 174 . 1 1 15 15 GLN HE21 H 1 6.825 0.020 . 1 . 149 . . 530 GLN HE21 . 26517 1 175 . 1 1 15 15 GLN HE22 H 1 7.253 0.005 . 1 . 150 . . 530 GLN HE22 . 26517 1 176 . 1 1 15 15 GLN CA C 13 56.206 0.012 . 1 . 141 . . 530 GLN CA . 26517 1 177 . 1 1 15 15 GLN CB C 13 28.366 0.161 . 1 . 143 . . 530 GLN CB . 26517 1 178 . 1 1 15 15 GLN CG C 13 33.843 0.073 . 1 . 145 . . 530 GLN CG . 26517 1 179 . 1 1 15 15 GLN N N 15 117.475 0.059 . 1 . 139 . . 530 GLN N . 26517 1 180 . 1 1 15 15 GLN NE2 N 15 111.800 0.032 . 1 . 148 . . 530 GLN NE2 . 26517 1 181 . 1 1 16 16 HIS H H 1 7.703 0.001 . 1 . 152 . . 531 HIS H . 26517 1 182 . 1 1 16 16 HIS HA H 1 4.825 0.004 . 1 . 153 . . 531 HIS HA . 26517 1 183 . 1 1 16 16 HIS HB2 H 1 3.788 0.020 . 2 . 155 . . 531 HIS HB2 . 26517 1 184 . 1 1 16 16 HIS HB3 H 1 2.767 0.020 . 2 . 156 . . 531 HIS HB3 . 26517 1 185 . 1 1 16 16 HIS HD2 H 1 6.990 0.007 . 1 . 159 . . 531 HIS HD2 . 26517 1 186 . 1 1 16 16 HIS HE1 H 1 7.786 0.009 . 1 . 160 . . 531 HIS HE1 . 26517 1 187 . 1 1 16 16 HIS CB C 13 31.414 0.065 . 1 . 154 . . 531 HIS CB . 26517 1 188 . 1 1 16 16 HIS CD2 C 13 121.001 0.081 . 1 . 157 . . 531 HIS CD2 . 26517 1 189 . 1 1 16 16 HIS CE1 C 13 138.538 0.010 . 1 . 158 . . 531 HIS CE1 . 26517 1 190 . 1 1 16 16 HIS N N 15 118.050 0.081 . 1 . 151 . . 531 HIS N . 26517 1 191 . 1 1 17 17 GLY H H 1 8.050 0.009 . 1 . 162 . . 532 GLY H . 26517 1 192 . 1 1 17 17 GLY HA2 H 1 4.323 0.020 . 2 . 164 . . 532 GLY HA2 . 26517 1 193 . 1 1 17 17 GLY HA3 H 1 3.769 0.001 . 2 . 165 . . 532 GLY HA3 . 26517 1 194 . 1 1 17 17 GLY CA C 13 46.131 0.093 . 1 . 163 . . 532 GLY CA . 26517 1 195 . 1 1 17 17 GLY N N 15 107.005 0.008 . 1 . 161 . . 532 GLY N . 26517 1 196 . 1 1 18 18 TRP H H 1 7.906 0.018 . 1 . 167 . . 533 TRP H . 26517 1 197 . 1 1 18 18 TRP HA H 1 4.768 0.011 . 1 . 169 . . 533 TRP HA . 26517 1 198 . 1 1 18 18 TRP HB2 H 1 3.393 0.020 . 2 . 171 . . 533 TRP HB2 . 26517 1 199 . 1 1 18 18 TRP HB3 H 1 2.673 0.020 . 2 . 172 . . 533 TRP HB3 . 26517 1 200 . 1 1 18 18 TRP HD1 H 1 7.411 0.020 . 1 . 176 . . 533 TRP HD1 . 26517 1 201 . 1 1 18 18 TRP HE1 H 1 11.012 0.006 . 1 . 180 . . 533 TRP HE1 . 26517 1 202 . 1 1 18 18 TRP HE3 H 1 7.591 0.020 . 1 . 177 . . 533 TRP HE3 . 26517 1 203 . 1 1 18 18 TRP HZ2 H 1 7.383 0.003 . 1 . 183 . . 533 TRP HZ2 . 26517 1 204 . 1 1 18 18 TRP HZ3 H 1 6.616 0.008 . 1 . 181 . . 533 TRP HZ3 . 26517 1 205 . 1 1 18 18 TRP HH2 H 1 6.555 0.002 . 1 . 184 . . 533 TRP HH2 . 26517 1 206 . 1 1 18 18 TRP CA C 13 57.883 0.258 . 1 . 168 . . 533 TRP CA . 26517 1 207 . 1 1 18 18 TRP CB C 13 29.146 0.062 . 1 . 170 . . 533 TRP CB . 26517 1 208 . 1 1 18 18 TRP CD1 C 13 127.442 0.055 . 1 . 173 . . 533 TRP CD1 . 26517 1 209 . 1 1 18 18 TRP CE3 C 13 120.692 0.200 . 1 . 174 . . 533 TRP CE3 . 26517 1 210 . 1 1 18 18 TRP CZ2 C 13 114.433 0.126 . 1 . 179 . . 533 TRP CZ2 . 26517 1 211 . 1 1 18 18 TRP CZ3 C 13 121.338 0.130 . 1 . 178 . . 533 TRP CZ3 . 26517 1 212 . 1 1 18 18 TRP CH2 C 13 124.465 0.200 . 1 . 182 . . 533 TRP CH2 . 26517 1 213 . 1 1 18 18 TRP N N 15 119.284 0.073 . 1 . 166 . . 533 TRP N . 26517 1 214 . 1 1 18 18 TRP NE1 N 15 131.394 0.003 . 1 . 175 . . 533 TRP NE1 . 26517 1 215 . 1 1 19 19 ARG H H 1 9.077 0.022 . 1 . 186 . . 534 ARG H . 26517 1 216 . 1 1 19 19 ARG HB2 H 1 1.885 0.020 . 2 . 188 . . 534 ARG HB2 . 26517 1 217 . 1 1 19 19 ARG HB3 H 1 1.589 0.020 . 2 . 189 . . 534 ARG HB3 . 26517 1 218 . 1 1 19 19 ARG HG2 H 1 1.596 0.002 . 1 . 191 . . 534 ARG HG2 . 26517 1 219 . 1 1 19 19 ARG HG3 H 1 1.596 0.002 . 1 . 1126 . . 534 ARG HG3 . 26517 1 220 . 1 1 19 19 ARG HD2 H 1 3.013 0.020 . 1 . 193 . . 534 ARG HD2 . 26517 1 221 . 1 1 19 19 ARG HD3 H 1 3.013 0.020 . 1 . 1125 . . 534 ARG HD3 . 26517 1 222 . 1 1 19 19 ARG CB C 13 34.723 0.042 . 1 . 187 . . 534 ARG CB . 26517 1 223 . 1 1 19 19 ARG CG C 13 28.199 0.200 . 1 . 190 . . 534 ARG CG . 26517 1 224 . 1 1 19 19 ARG CD C 13 43.278 0.200 . 1 . 192 . . 534 ARG CD . 26517 1 225 . 1 1 19 19 ARG N N 15 117.276 0.013 . 1 . 185 . . 534 ARG N . 26517 1 226 . 1 1 20 20 ARG H H 1 8.911 0.018 . 1 . 195 . . 535 ARG H . 26517 1 227 . 1 1 20 20 ARG HA H 1 4.655 0.036 . 1 . 197 . . 535 ARG HA . 26517 1 228 . 1 1 20 20 ARG HB2 H 1 1.411 0.015 . 2 . 199 . . 535 ARG HB2 . 26517 1 229 . 1 1 20 20 ARG HB3 H 1 1.065 0.013 . 2 . 200 . . 535 ARG HB3 . 26517 1 230 . 1 1 20 20 ARG HG2 H 1 1.048 0.018 . 2 . 202 . . 535 ARG HG2 . 26517 1 231 . 1 1 20 20 ARG HG3 H 1 0.009 0.010 . 2 . 203 . . 535 ARG HG3 . 26517 1 232 . 1 1 20 20 ARG HD2 H 1 2.868 0.020 . 2 . 205 . . 535 ARG HD2 . 26517 1 233 . 1 1 20 20 ARG HD3 H 1 2.482 0.006 . 2 . 206 . . 535 ARG HD3 . 26517 1 234 . 1 1 20 20 ARG CA C 13 54.857 0.006 . 1 . 196 . . 535 ARG CA . 26517 1 235 . 1 1 20 20 ARG CB C 13 35.705 0.122 . 1 . 198 . . 535 ARG CB . 26517 1 236 . 1 1 20 20 ARG CG C 13 28.508 0.162 . 1 . 201 . . 535 ARG CG . 26517 1 237 . 1 1 20 20 ARG CD C 13 43.266 0.097 . 1 . 204 . . 535 ARG CD . 26517 1 238 . 1 1 20 20 ARG N N 15 123.592 0.136 . 1 . 194 . . 535 ARG N . 26517 1 239 . 1 1 21 21 GLU H H 1 9.177 0.014 . 1 . 208 . . 536 GLU H . 26517 1 240 . 1 1 21 21 GLU HA H 1 5.636 0.008 . 1 . 210 . . 536 GLU HA . 26517 1 241 . 1 1 21 21 GLU HB2 H 1 1.884 0.020 . 2 . 212 . . 536 GLU HB2 . 26517 1 242 . 1 1 21 21 GLU HB3 H 1 1.726 0.001 . 2 . 213 . . 536 GLU HB3 . 26517 1 243 . 1 1 21 21 GLU HG2 H 1 2.298 0.014 . 1 . 215 . . 536 GLU HG2 . 26517 1 244 . 1 1 21 21 GLU HG3 H 1 2.298 0.014 . 1 . 1127 . . 536 GLU HG3 . 26517 1 245 . 1 1 21 21 GLU CA C 13 53.371 0.030 . 1 . 209 . . 536 GLU CA . 26517 1 246 . 1 1 21 21 GLU CB C 13 34.443 0.087 . 1 . 211 . . 536 GLU CB . 26517 1 247 . 1 1 21 21 GLU CG C 13 37.322 0.006 . 1 . 214 . . 536 GLU CG . 26517 1 248 . 1 1 21 21 GLU N N 15 125.118 0.014 . 1 . 207 . . 536 GLU N . 26517 1 249 . 1 1 22 22 VAL H H 1 8.662 0.003 . 1 . 217 . . 537 VAL H . 26517 1 250 . 1 1 22 22 VAL HA H 1 4.347 0.005 . 1 . 219 . . 537 VAL HA . 26517 1 251 . 1 1 22 22 VAL HB H 1 -0.136 0.009 . 1 . 221 . . 537 VAL HB . 26517 1 252 . 1 1 22 22 VAL HG11 H 1 0.509 0.005 . 2 . 222 . . 537 VAL HG11 . 26517 1 253 . 1 1 22 22 VAL HG12 H 1 0.509 0.005 . 2 . 222 . . 537 VAL HG12 . 26517 1 254 . 1 1 22 22 VAL HG13 H 1 0.509 0.005 . 2 . 222 . . 537 VAL HG13 . 26517 1 255 . 1 1 22 22 VAL HG21 H 1 0.312 0.020 . 2 . 223 . . 537 VAL HG21 . 26517 1 256 . 1 1 22 22 VAL HG22 H 1 0.312 0.020 . 2 . 223 . . 537 VAL HG22 . 26517 1 257 . 1 1 22 22 VAL HG23 H 1 0.312 0.020 . 2 . 223 . . 537 VAL HG23 . 26517 1 258 . 1 1 22 22 VAL CA C 13 61.076 0.151 . 1 . 218 . . 537 VAL CA . 26517 1 259 . 1 1 22 22 VAL CB C 13 32.561 0.037 . 1 . 220 . . 537 VAL CB . 26517 1 260 . 1 1 22 22 VAL CG1 C 13 21.365 0.074 . 2 . 224 . . 537 VAL CG1 . 26517 1 261 . 1 1 22 22 VAL CG2 C 13 21.303 0.013 . 2 . 225 . . 537 VAL CG2 . 26517 1 262 . 1 1 22 22 VAL N N 15 123.129 0.052 . 1 . 216 . . 537 VAL N . 26517 1 263 . 1 1 23 23 ARG H H 1 8.533 0.020 . 1 . 227 . . 538 ARG H . 26517 1 264 . 1 1 23 23 ARG HA H 1 4.705 0.020 . 1 . 228 . . 538 ARG HA . 26517 1 265 . 1 1 23 23 ARG HB2 H 1 1.075 0.026 . 2 . 230 . . 538 ARG HB2 . 26517 1 266 . 1 1 23 23 ARG HB3 H 1 0.924 0.003 . 2 . 231 . . 538 ARG HB3 . 26517 1 267 . 1 1 23 23 ARG HG2 H 1 0.181 0.020 . 1 . 233 . . 538 ARG HG2 . 26517 1 268 . 1 1 23 23 ARG HG3 H 1 0.181 0.020 . 1 . 1128 . . 538 ARG HG3 . 26517 1 269 . 1 1 23 23 ARG HD2 H 1 1.082 0.020 . 2 . 235 . . 538 ARG HD2 . 26517 1 270 . 1 1 23 23 ARG HD3 H 1 0.972 0.020 . 2 . 236 . . 538 ARG HD3 . 26517 1 271 . 1 1 23 23 ARG CB C 13 30.993 0.114 . 1 . 229 . . 538 ARG CB . 26517 1 272 . 1 1 23 23 ARG CG C 13 26.404 0.121 . 1 . 232 . . 538 ARG CG . 26517 1 273 . 1 1 23 23 ARG CD C 13 41.572 0.005 . 1 . 234 . . 538 ARG CD . 26517 1 274 . 1 1 23 23 ARG N N 15 126.569 0.078 . 1 . 226 . . 538 ARG N . 26517 1 275 . 1 1 24 24 ILE H H 1 9.462 0.019 . 1 . 238 . . 539 ILE H . 26517 1 276 . 1 1 24 24 ILE HA H 1 5.234 0.004 . 1 . 240 . . 539 ILE HA . 26517 1 277 . 1 1 24 24 ILE HB H 1 2.052 0.012 . 1 . 242 . . 539 ILE HB . 26517 1 278 . 1 1 24 24 ILE HG12 H 1 1.652 0.013 . 2 . 246 . . 539 ILE HG12 . 26517 1 279 . 1 1 24 24 ILE HG13 H 1 1.148 0.006 . 2 . 247 . . 539 ILE HG13 . 26517 1 280 . 1 1 24 24 ILE HG21 H 1 1.049 0.003 . 1 . 243 . . 539 ILE HG21 . 26517 1 281 . 1 1 24 24 ILE HG22 H 1 1.049 0.003 . 1 . 243 . . 539 ILE HG22 . 26517 1 282 . 1 1 24 24 ILE HG23 H 1 1.049 0.003 . 1 . 243 . . 539 ILE HG23 . 26517 1 283 . 1 1 24 24 ILE HD11 H 1 0.827 0.011 . 1 . 248 . . 539 ILE HD11 . 26517 1 284 . 1 1 24 24 ILE HD12 H 1 0.827 0.011 . 1 . 248 . . 539 ILE HD12 . 26517 1 285 . 1 1 24 24 ILE HD13 H 1 0.827 0.011 . 1 . 248 . . 539 ILE HD13 . 26517 1 286 . 1 1 24 24 ILE CA C 13 60.416 0.149 . 1 . 239 . . 539 ILE CA . 26517 1 287 . 1 1 24 24 ILE CB C 13 40.384 0.122 . 1 . 241 . . 539 ILE CB . 26517 1 288 . 1 1 24 24 ILE CG1 C 13 27.815 0.118 . 1 . 245 . . 539 ILE CG1 . 26517 1 289 . 1 1 24 24 ILE CG2 C 13 18.019 0.042 . 1 . 244 . . 539 ILE CG2 . 26517 1 290 . 1 1 24 24 ILE CD1 C 13 13.528 0.061 . 1 . 249 . . 539 ILE CD1 . 26517 1 291 . 1 1 24 24 ILE N N 15 126.637 0.077 . 1 . 237 . . 539 ILE N . 26517 1 292 . 1 1 25 25 LYS H H 1 9.105 0.013 . 1 . 251 . . 540 LYS H . 26517 1 293 . 1 1 25 25 LYS HA H 1 4.883 0.009 . 1 . 253 . . 540 LYS HA . 26517 1 294 . 1 1 25 25 LYS HB2 H 1 1.796 0.020 . 1 . 255 . . 540 LYS HB2 . 26517 1 295 . 1 1 25 25 LYS HB3 H 1 1.796 0.020 . 1 . 1129 . . 540 LYS HB3 . 26517 1 296 . 1 1 25 25 LYS HG2 H 1 1.528 0.001 . 2 . 257 . . 540 LYS HG2 . 26517 1 297 . 1 1 25 25 LYS HG3 H 1 1.219 0.022 . 2 . 258 . . 540 LYS HG3 . 26517 1 298 . 1 1 25 25 LYS HD2 H 1 1.659 0.003 . 1 . 260 . . 540 LYS HD2 . 26517 1 299 . 1 1 25 25 LYS HD3 H 1 1.659 0.003 . 1 . 1130 . . 540 LYS HD3 . 26517 1 300 . 1 1 25 25 LYS HE2 H 1 2.936 0.013 . 1 . 262 . . 540 LYS HE2 . 26517 1 301 . 1 1 25 25 LYS HE3 H 1 2.936 0.013 . 1 . 1131 . . 540 LYS HE3 . 26517 1 302 . 1 1 25 25 LYS CA C 13 54.872 0.200 . 1 . 252 . . 540 LYS CA . 26517 1 303 . 1 1 25 25 LYS CB C 13 36.335 0.029 . 1 . 254 . . 540 LYS CB . 26517 1 304 . 1 1 25 25 LYS CG C 13 23.648 0.056 . 1 . 256 . . 540 LYS CG . 26517 1 305 . 1 1 25 25 LYS CD C 13 29.566 0.090 . 1 . 259 . . 540 LYS CD . 26517 1 306 . 1 1 25 25 LYS CE C 13 42.008 0.012 . 1 . 261 . . 540 LYS CE . 26517 1 307 . 1 1 25 25 LYS N N 15 123.341 0.061 . 1 . 250 . . 540 LYS N . 26517 1 308 . 1 1 26 26 LYS H H 1 8.788 0.011 . 1 . 264 . . 541 LYS H . 26517 1 309 . 1 1 26 26 LYS HA H 1 3.655 0.011 . 1 . 266 . . 541 LYS HA . 26517 1 310 . 1 1 26 26 LYS HB2 H 1 1.225 0.009 . 2 . 268 . . 541 LYS HB2 . 26517 1 311 . 1 1 26 26 LYS HB3 H 1 0.366 0.009 . 2 . 269 . . 541 LYS HB3 . 26517 1 312 . 1 1 26 26 LYS HG2 H 1 0.596 0.010 . 2 . 271 . . 541 LYS HG2 . 26517 1 313 . 1 1 26 26 LYS HG3 H 1 0.261 0.009 . 2 . 272 . . 541 LYS HG3 . 26517 1 314 . 1 1 26 26 LYS HD2 H 1 1.046 0.012 . 2 . 274 . . 541 LYS HD2 . 26517 1 315 . 1 1 26 26 LYS HD3 H 1 0.924 0.014 . 2 . 275 . . 541 LYS HD3 . 26517 1 316 . 1 1 26 26 LYS HE2 H 1 2.491 0.001 . 1 . 277 . . 541 LYS HE2 . 26517 1 317 . 1 1 26 26 LYS HE3 H 1 2.491 0.001 . 1 . 1132 . . 541 LYS HE3 . 26517 1 318 . 1 1 26 26 LYS CA C 13 56.468 0.055 . 1 . 265 . . 541 LYS CA . 26517 1 319 . 1 1 26 26 LYS CB C 13 31.876 0.088 . 1 . 267 . . 541 LYS CB . 26517 1 320 . 1 1 26 26 LYS CG C 13 24.058 0.108 . 1 . 270 . . 541 LYS CG . 26517 1 321 . 1 1 26 26 LYS CD C 13 28.568 0.074 . 1 . 273 . . 541 LYS CD . 26517 1 322 . 1 1 26 26 LYS CE C 13 41.703 0.045 . 1 . 276 . . 541 LYS CE . 26517 1 323 . 1 1 26 26 LYS N N 15 125.260 0.075 . 1 . 263 . . 541 LYS N . 26517 1 324 . 1 1 27 27 GLY H H 1 7.963 0.005 . 1 . 279 . . 542 GLY H . 26517 1 325 . 1 1 27 27 GLY HA2 H 1 4.257 0.020 . 2 . 281 . . 542 GLY HA2 . 26517 1 326 . 1 1 27 27 GLY HA3 H 1 3.768 0.004 . 2 . 282 . . 542 GLY HA3 . 26517 1 327 . 1 1 27 27 GLY CA C 13 44.257 0.082 . 1 . 280 . . 542 GLY CA . 26517 1 328 . 1 1 27 27 GLY N N 15 114.388 0.025 . 1 . 278 . . 542 GLY N . 26517 1 329 . 1 1 28 28 SER H H 1 8.695 0.004 . 1 . 283 . . 543 SER H . 26517 1 330 . 1 1 28 28 SER HA H 1 3.959 0.020 . 1 . 285 . . 543 SER HA . 26517 1 331 . 1 1 28 28 SER HB2 H 1 3.704 0.020 . 1 . 287 . . 543 SER HB2 . 26517 1 332 . 1 1 28 28 SER HB3 H 1 3.704 0.020 . 1 . 1133 . . 543 SER HB3 . 26517 1 333 . 1 1 28 28 SER CA C 13 60.377 0.049 . 1 . 284 . . 543 SER CA . 26517 1 334 . 1 1 28 28 SER CB C 13 62.486 0.014 . 1 . 286 . . 543 SER CB . 26517 1 335 . 1 1 29 29 HIS HA H 1 4.528 0.002 . 1 . 289 . . 544 HIS HA . 26517 1 336 . 1 1 29 29 HIS HB2 H 1 3.149 0.020 . 2 . 291 . . 544 HIS HB2 . 26517 1 337 . 1 1 29 29 HIS HB3 H 1 2.965 0.020 . 2 . 292 . . 544 HIS HB3 . 26517 1 338 . 1 1 29 29 HIS HD2 H 1 6.994 0.020 . 1 . 295 . . 544 HIS HD2 . 26517 1 339 . 1 1 29 29 HIS HE1 H 1 7.815 0.020 . 1 . 296 . . 544 HIS HE1 . 26517 1 340 . 1 1 29 29 HIS CA C 13 57.132 0.039 . 1 . 288 . . 544 HIS CA . 26517 1 341 . 1 1 29 29 HIS CB C 13 31.497 0.086 . 1 . 290 . . 544 HIS CB . 26517 1 342 . 1 1 29 29 HIS CD2 C 13 119.577 0.044 . 1 . 293 . . 544 HIS CD2 . 26517 1 343 . 1 1 29 29 HIS CE1 C 13 138.278 0.200 . 1 . 294 . . 544 HIS CE1 . 26517 1 344 . 1 1 30 30 ARG HA H 1 4.616 0.003 . 1 . 298 . . 545 ARG HA . 26517 1 345 . 1 1 30 30 ARG HB2 H 1 2.029 0.005 . 2 . 300 . . 545 ARG HB2 . 26517 1 346 . 1 1 30 30 ARG HB3 H 1 1.863 0.009 . 2 . 301 . . 545 ARG HB3 . 26517 1 347 . 1 1 30 30 ARG HG2 H 1 1.550 0.020 . 2 . 303 . . 545 ARG HG2 . 26517 1 348 . 1 1 30 30 ARG HG3 H 1 1.449 0.020 . 2 . 304 . . 545 ARG HG3 . 26517 1 349 . 1 1 30 30 ARG HD2 H 1 3.202 0.008 . 1 . 305 . . 545 ARG HD2 . 26517 1 350 . 1 1 30 30 ARG HD3 H 1 3.202 0.008 . 1 . 1134 . . 545 ARG HD3 . 26517 1 351 . 1 1 30 30 ARG CA C 13 54.964 0.188 . 1 . 297 . . 545 ARG CA . 26517 1 352 . 1 1 30 30 ARG CB C 13 32.353 0.067 . 1 . 299 . . 545 ARG CB . 26517 1 353 . 1 1 30 30 ARG CG C 13 26.244 0.192 . 1 . 302 . . 545 ARG CG . 26517 1 354 . 1 1 31 31 TRP H H 1 8.721 0.018 . 1 . 307 . . 546 TRP H . 26517 1 355 . 1 1 31 31 TRP HA H 1 4.832 0.002 . 1 . 308 . . 546 TRP HA . 26517 1 356 . 1 1 31 31 TRP HB2 H 1 2.996 0.020 . 1 . 310 . . 546 TRP HB2 . 26517 1 357 . 1 1 31 31 TRP HB3 H 1 2.996 0.020 . 1 . 1135 . . 546 TRP HB3 . 26517 1 358 . 1 1 31 31 TRP HD1 H 1 7.314 0.001 . 1 . 314 . . 546 TRP HD1 . 26517 1 359 . 1 1 31 31 TRP HE1 H 1 10.275 0.020 . 1 . 318 . . 546 TRP HE1 . 26517 1 360 . 1 1 31 31 TRP HE3 H 1 7.341 0.006 . 1 . 315 . . 546 TRP HE3 . 26517 1 361 . 1 1 31 31 TRP HZ2 H 1 7.421 0.007 . 1 . 321 . . 546 TRP HZ2 . 26517 1 362 . 1 1 31 31 TRP HZ3 H 1 7.074 0.002 . 1 . 319 . . 546 TRP HZ3 . 26517 1 363 . 1 1 31 31 TRP HH2 H 1 7.221 0.006 . 1 . 322 . . 546 TRP HH2 . 26517 1 364 . 1 1 31 31 TRP CB C 13 30.137 0.134 . 1 . 309 . . 546 TRP CB . 26517 1 365 . 1 1 31 31 TRP CD1 C 13 126.979 0.058 . 1 . 311 . . 546 TRP CD1 . 26517 1 366 . 1 1 31 31 TRP CE3 C 13 120.003 0.145 . 1 . 312 . . 546 TRP CE3 . 26517 1 367 . 1 1 31 31 TRP CZ2 C 13 114.659 0.077 . 1 . 317 . . 546 TRP CZ2 . 26517 1 368 . 1 1 31 31 TRP CZ3 C 13 122.240 0.018 . 1 . 316 . . 546 TRP CZ3 . 26517 1 369 . 1 1 31 31 TRP CH2 C 13 125.038 0.038 . 1 . 320 . . 546 TRP CH2 . 26517 1 370 . 1 1 31 31 TRP N N 15 122.259 0.098 . 1 . 306 . . 546 TRP N . 26517 1 371 . 1 1 31 31 TRP NE1 N 15 129.698 0.036 . 1 . 313 . . 546 TRP NE1 . 26517 1 372 . 1 1 32 32 GLN H H 1 9.238 0.018 . 1 . 324 . . 547 GLN H . 26517 1 373 . 1 1 32 32 GLN HA H 1 4.925 0.005 . 1 . 326 . . 547 GLN HA . 26517 1 374 . 1 1 32 32 GLN HB2 H 1 2.219 0.020 . 2 . 328 . . 547 GLN HB2 . 26517 1 375 . 1 1 32 32 GLN HB3 H 1 2.060 0.020 . 2 . 329 . . 547 GLN HB3 . 26517 1 376 . 1 1 32 32 GLN HG2 H 1 2.371 0.002 . 2 . 331 . . 547 GLN HG2 . 26517 1 377 . 1 1 32 32 GLN HG3 H 1 2.321 0.006 . 2 . 332 . . 547 GLN HG3 . 26517 1 378 . 1 1 32 32 GLN HE21 H 1 6.982 0.011 . 1 . 334 . . 547 GLN HE21 . 26517 1 379 . 1 1 32 32 GLN HE22 H 1 7.575 0.020 . 1 . 335 . . 547 GLN HE22 . 26517 1 380 . 1 1 32 32 GLN CA C 13 54.486 0.072 . 1 . 325 . . 547 GLN CA . 26517 1 381 . 1 1 32 32 GLN CB C 13 33.041 0.036 . 1 . 327 . . 547 GLN CB . 26517 1 382 . 1 1 32 32 GLN CG C 13 33.868 0.129 . 1 . 330 . . 547 GLN CG . 26517 1 383 . 1 1 32 32 GLN N N 15 120.089 0.115 . 1 . 323 . . 547 GLN N . 26517 1 384 . 1 1 32 32 GLN NE2 N 15 112.190 0.054 . 1 . 333 . . 547 GLN NE2 . 26517 1 385 . 1 1 33 33 GLY H H 1 9.011 0.012 . 1 . 337 . . 548 GLY H . 26517 1 386 . 1 1 33 33 GLY HA2 H 1 5.562 0.020 . 2 . 339 . . 548 GLY HA2 . 26517 1 387 . 1 1 33 33 GLY HA3 H 1 3.239 0.020 . 2 . 340 . . 548 GLY HA3 . 26517 1 388 . 1 1 33 33 GLY CA C 13 44.666 0.026 . 1 . 338 . . 548 GLY CA . 26517 1 389 . 1 1 33 33 GLY N N 15 107.357 0.044 . 1 . 336 . . 548 GLY N . 26517 1 390 . 1 1 34 34 GLU H H 1 8.431 0.003 . 1 . 342 . . 549 GLU H . 26517 1 391 . 1 1 34 34 GLU HA H 1 4.836 0.006 . 1 . 343 . . 549 GLU HA . 26517 1 392 . 1 1 34 34 GLU HB2 H 1 2.061 0.020 . 1 . 345 . . 549 GLU HB2 . 26517 1 393 . 1 1 34 34 GLU HB3 H 1 2.061 0.020 . 1 . 1136 . . 549 GLU HB3 . 26517 1 394 . 1 1 34 34 GLU HG2 H 1 2.256 0.003 . 2 . 347 . . 549 GLU HG2 . 26517 1 395 . 1 1 34 34 GLU HG3 H 1 2.190 0.020 . 2 . 348 . . 549 GLU HG3 . 26517 1 396 . 1 1 34 34 GLU CB C 13 33.927 0.041 . 1 . 344 . . 549 GLU CB . 26517 1 397 . 1 1 34 34 GLU CG C 13 36.251 0.177 . 1 . 346 . . 549 GLU CG . 26517 1 398 . 1 1 34 34 GLU N N 15 119.441 0.052 . 1 . 341 . . 549 GLU N . 26517 1 399 . 1 1 35 35 THR H H 1 9.020 0.026 . 1 . 350 . . 550 THR H . 26517 1 400 . 1 1 35 35 THR HA H 1 5.003 0.004 . 1 . 352 . . 550 THR HA . 26517 1 401 . 1 1 35 35 THR HB H 1 3.954 0.020 . 1 . 354 . . 550 THR HB . 26517 1 402 . 1 1 35 35 THR HG21 H 1 0.684 0.009 . 1 . 355 . . 550 THR HG21 . 26517 1 403 . 1 1 35 35 THR HG22 H 1 0.684 0.009 . 1 . 355 . . 550 THR HG22 . 26517 1 404 . 1 1 35 35 THR HG23 H 1 0.684 0.009 . 1 . 355 . . 550 THR HG23 . 26517 1 405 . 1 1 35 35 THR CA C 13 61.853 0.111 . 1 . 351 . . 550 THR CA . 26517 1 406 . 1 1 35 35 THR CB C 13 69.711 0.075 . 1 . 353 . . 550 THR CB . 26517 1 407 . 1 1 35 35 THR CG2 C 13 22.114 0.018 . 1 . 356 . . 550 THR CG2 . 26517 1 408 . 1 1 35 35 THR N N 15 122.211 0.023 . 1 . 349 . . 550 THR N . 26517 1 409 . 1 1 36 36 TRP H H 1 9.576 0.007 . 1 . 358 . . 551 TRP H . 26517 1 410 . 1 1 36 36 TRP HA H 1 5.480 0.002 . 1 . 360 . . 551 TRP HA . 26517 1 411 . 1 1 36 36 TRP HB2 H 1 2.987 0.002 . 2 . 362 . . 551 TRP HB2 . 26517 1 412 . 1 1 36 36 TRP HB3 H 1 2.622 0.003 . 2 . 363 . . 551 TRP HB3 . 26517 1 413 . 1 1 36 36 TRP HD1 H 1 7.321 0.011 . 1 . 367 . . 551 TRP HD1 . 26517 1 414 . 1 1 36 36 TRP HE1 H 1 10.875 0.020 . 1 . 371 . . 551 TRP HE1 . 26517 1 415 . 1 1 36 36 TRP HE3 H 1 7.368 0.009 . 1 . 368 . . 551 TRP HE3 . 26517 1 416 . 1 1 36 36 TRP HZ2 H 1 7.300 0.001 . 1 . 374 . . 551 TRP HZ2 . 26517 1 417 . 1 1 36 36 TRP HZ3 H 1 6.768 0.017 . 1 . 372 . . 551 TRP HZ3 . 26517 1 418 . 1 1 36 36 TRP HH2 H 1 6.890 0.008 . 1 . 375 . . 551 TRP HH2 . 26517 1 419 . 1 1 36 36 TRP CA C 13 52.914 0.033 . 1 . 359 . . 551 TRP CA . 26517 1 420 . 1 1 36 36 TRP CB C 13 32.996 0.086 . 1 . 361 . . 551 TRP CB . 26517 1 421 . 1 1 36 36 TRP CD1 C 13 123.880 0.035 . 1 . 364 . . 551 TRP CD1 . 26517 1 422 . 1 1 36 36 TRP CE3 C 13 120.359 0.200 . 1 . 365 . . 551 TRP CE3 . 26517 1 423 . 1 1 36 36 TRP CZ2 C 13 113.962 0.005 . 1 . 370 . . 551 TRP CZ2 . 26517 1 424 . 1 1 36 36 TRP CZ3 C 13 121.300 0.070 . 1 . 369 . . 551 TRP CZ3 . 26517 1 425 . 1 1 36 36 TRP CH2 C 13 124.648 0.200 . 1 . 373 . . 551 TRP CH2 . 26517 1 426 . 1 1 36 36 TRP N N 15 125.498 0.084 . 1 . 357 . . 551 TRP N . 26517 1 427 . 1 1 36 36 TRP NE1 N 15 129.227 0.062 . 1 . 366 . . 551 TRP NE1 . 26517 1 428 . 1 1 37 37 TYR H H 1 8.839 0.022 . 1 . 377 . . 552 TYR H . 26517 1 429 . 1 1 37 37 TYR HA H 1 5.576 0.014 . 1 . 379 . . 552 TYR HA . 26517 1 430 . 1 1 37 37 TYR HB2 H 1 3.198 0.008 . 2 . 381 . . 552 TYR HB2 . 26517 1 431 . 1 1 37 37 TYR HB3 H 1 2.718 0.020 . 2 . 382 . . 552 TYR HB3 . 26517 1 432 . 1 1 37 37 TYR HD1 H 1 6.761 0.008 . 1 . 383 . . 552 TYR HD1 . 26517 1 433 . 1 1 37 37 TYR HD2 H 1 6.761 0.008 . 1 . 383 . . 552 TYR HD2 . 26517 1 434 . 1 1 37 37 TYR HE1 H 1 5.811 0.001 . 1 . 384 . . 552 TYR HE1 . 26517 1 435 . 1 1 37 37 TYR HE2 H 1 5.811 0.001 . 1 . 384 . . 552 TYR HE2 . 26517 1 436 . 1 1 37 37 TYR CA C 13 57.383 0.077 . 1 . 378 . . 552 TYR CA . 26517 1 437 . 1 1 37 37 TYR CB C 13 43.841 0.079 . 1 . 380 . . 552 TYR CB . 26517 1 438 . 1 1 37 37 TYR CD1 C 13 118.613 0.049 . 1 . 386 . . 552 TYR CD1 . 26517 1 439 . 1 1 37 37 TYR CD2 C 13 118.613 0.049 . 1 . 386 . . 552 TYR CD2 . 26517 1 440 . 1 1 37 37 TYR CE1 C 13 117.377 0.200 . 1 . 385 . . 552 TYR CE1 . 26517 1 441 . 1 1 37 37 TYR CE2 C 13 117.377 0.200 . 1 . 385 . . 552 TYR CE2 . 26517 1 442 . 1 1 37 37 TYR N N 15 118.411 0.040 . 1 . 376 . . 552 TYR N . 26517 1 443 . 1 1 38 38 TYR H H 1 9.341 0.018 . 1 . 388 . . 553 TYR H . 26517 1 444 . 1 1 38 38 TYR HA H 1 5.435 0.015 . 1 . 390 . . 553 TYR HA . 26517 1 445 . 1 1 38 38 TYR HB2 H 1 2.649 0.008 . 2 . 392 . . 553 TYR HB2 . 26517 1 446 . 1 1 38 38 TYR HB3 H 1 2.510 0.020 . 2 . 393 . . 553 TYR HB3 . 26517 1 447 . 1 1 38 38 TYR HD1 H 1 6.864 0.001 . 1 . 394 . . 553 TYR HD1 . 26517 1 448 . 1 1 38 38 TYR HD2 H 1 6.864 0.001 . 1 . 394 . . 553 TYR HD2 . 26517 1 449 . 1 1 38 38 TYR HE1 H 1 6.648 0.002 . 1 . 395 . . 553 TYR HE1 . 26517 1 450 . 1 1 38 38 TYR HE2 H 1 6.648 0.002 . 1 . 395 . . 553 TYR HE2 . 26517 1 451 . 1 1 38 38 TYR CA C 13 55.683 0.050 . 1 . 389 . . 553 TYR CA . 26517 1 452 . 1 1 38 38 TYR CB C 13 40.487 0.067 . 1 . 391 . . 553 TYR CB . 26517 1 453 . 1 1 38 38 TYR CD1 C 13 133.060 0.035 . 1 . 397 . . 553 TYR CD1 . 26517 1 454 . 1 1 38 38 TYR CD2 C 13 133.060 0.035 . 1 . 397 . . 553 TYR CD2 . 26517 1 455 . 1 1 38 38 TYR CE1 C 13 117.743 0.246 . 1 . 396 . . 553 TYR CE1 . 26517 1 456 . 1 1 38 38 TYR CE2 C 13 117.743 0.246 . 1 . 396 . . 553 TYR CE2 . 26517 1 457 . 1 1 38 38 TYR N N 15 117.086 0.049 . 1 . 387 . . 553 TYR N . 26517 1 458 . 1 1 39 39 GLY H H 1 8.401 0.005 . 1 . 399 . . 554 GLY H . 26517 1 459 . 1 1 39 39 GLY HA2 H 1 2.590 0.020 . 2 . 401 . . 554 GLY HA2 . 26517 1 460 . 1 1 39 39 GLY HA3 H 1 2.253 0.020 . 2 . 402 . . 554 GLY HA3 . 26517 1 461 . 1 1 39 39 GLY CA C 13 42.639 0.092 . 1 . 400 . . 554 GLY CA . 26517 1 462 . 1 1 39 39 GLY N N 15 106.829 0.036 . 1 . 398 . . 554 GLY N . 26517 1 463 . 1 1 40 40 PRO HA H 1 4.210 0.009 . 1 . 405 . . 555 PRO HA . 26517 1 464 . 1 1 40 40 PRO HB2 H 1 2.276 0.030 . 2 . 407 . . 555 PRO HB2 . 26517 1 465 . 1 1 40 40 PRO HB3 H 1 1.887 0.003 . 2 . 408 . . 555 PRO HB3 . 26517 1 466 . 1 1 40 40 PRO HG2 H 1 2.058 0.010 . 2 . 410 . . 555 PRO HG2 . 26517 1 467 . 1 1 40 40 PRO HG3 H 1 1.755 0.001 . 2 . 411 . . 555 PRO HG3 . 26517 1 468 . 1 1 40 40 PRO HD2 H 1 3.043 0.014 . 2 . 412 . . 555 PRO HD2 . 26517 1 469 . 1 1 40 40 PRO HD3 H 1 1.279 0.020 . 2 . 413 . . 555 PRO HD3 . 26517 1 470 . 1 1 40 40 PRO CA C 13 64.581 0.147 . 1 . 404 . . 555 PRO CA . 26517 1 471 . 1 1 40 40 PRO CB C 13 31.726 0.104 . 1 . 406 . . 555 PRO CB . 26517 1 472 . 1 1 40 40 PRO CG C 13 27.835 0.058 . 1 . 409 . . 555 PRO CG . 26517 1 473 . 1 1 40 40 PRO CD C 13 48.232 0.067 . 1 . 403 . . 555 PRO CD . 26517 1 474 . 1 1 41 41 CYS H H 1 7.124 0.021 . 1 . 415 . . 556 CYS H . 26517 1 475 . 1 1 41 41 CYS HA H 1 4.796 0.012 . 1 . 416 . . 556 CYS HA . 26517 1 476 . 1 1 41 41 CYS HB2 H 1 3.068 0.020 . 2 . 418 . . 556 CYS HB2 . 26517 1 477 . 1 1 41 41 CYS HB3 H 1 2.690 0.020 . 2 . 419 . . 556 CYS HB3 . 26517 1 478 . 1 1 41 41 CYS CB C 13 30.146 0.231 . 1 . 417 . . 556 CYS CB . 26517 1 479 . 1 1 41 41 CYS N N 15 113.166 0.128 . 1 . 414 . . 556 CYS N . 26517 1 480 . 1 1 42 42 GLY H H 1 8.077 0.020 . 1 . 421 . . 557 GLY H . 26517 1 481 . 1 1 42 42 GLY HA2 H 1 4.413 0.020 . 2 . 423 . . 557 GLY HA2 . 26517 1 482 . 1 1 42 42 GLY HA3 H 1 3.509 0.020 . 2 . 424 . . 557 GLY HA3 . 26517 1 483 . 1 1 42 42 GLY CA C 13 44.878 0.103 . 1 . 422 . . 557 GLY CA . 26517 1 484 . 1 1 42 42 GLY N N 15 113.073 0.025 . 1 . 420 . . 557 GLY N . 26517 1 485 . 1 1 43 43 LYS H H 1 8.579 0.016 . 1 . 426 . . 558 LYS H . 26517 1 486 . 1 1 43 43 LYS HA H 1 3.984 0.012 . 1 . 428 . . 558 LYS HA . 26517 1 487 . 1 1 43 43 LYS HB2 H 1 1.931 0.013 . 2 . 430 . . 558 LYS HB2 . 26517 1 488 . 1 1 43 43 LYS HB3 H 1 1.398 0.003 . 2 . 431 . . 558 LYS HB3 . 26517 1 489 . 1 1 43 43 LYS HG2 H 1 1.388 0.020 . 2 . 433 . . 558 LYS HG2 . 26517 1 490 . 1 1 43 43 LYS HG3 H 1 1.165 0.023 . 2 . 434 . . 558 LYS HG3 . 26517 1 491 . 1 1 43 43 LYS HD2 H 1 1.704 0.020 . 2 . 436 . . 558 LYS HD2 . 26517 1 492 . 1 1 43 43 LYS HD3 H 1 1.655 0.007 . 2 . 437 . . 558 LYS HD3 . 26517 1 493 . 1 1 43 43 LYS HE2 H 1 3.082 0.020 . 2 . 439 . . 558 LYS HE2 . 26517 1 494 . 1 1 43 43 LYS HE3 H 1 2.941 0.020 . 2 . 440 . . 558 LYS HE3 . 26517 1 495 . 1 1 43 43 LYS CA C 13 57.782 0.012 . 1 . 427 . . 558 LYS CA . 26517 1 496 . 1 1 43 43 LYS CB C 13 34.064 0.046 . 1 . 429 . . 558 LYS CB . 26517 1 497 . 1 1 43 43 LYS CG C 13 24.941 0.044 . 1 . 432 . . 558 LYS CG . 26517 1 498 . 1 1 43 43 LYS CD C 13 29.470 0.106 . 1 . 435 . . 558 LYS CD . 26517 1 499 . 1 1 43 43 LYS CE C 13 42.090 0.007 . 1 . 438 . . 558 LYS CE . 26517 1 500 . 1 1 43 43 LYS N N 15 125.675 0.037 . 1 . 425 . . 558 LYS N . 26517 1 501 . 1 1 44 44 ARG H H 1 8.480 0.006 . 1 . 442 . . 559 ARG H . 26517 1 502 . 1 1 44 44 ARG HA H 1 4.249 0.023 . 1 . 444 . . 559 ARG HA . 26517 1 503 . 1 1 44 44 ARG HB2 H 1 1.486 0.018 . 2 . 446 . . 559 ARG HB2 . 26517 1 504 . 1 1 44 44 ARG HB3 H 1 1.406 0.020 . 2 . 447 . . 559 ARG HB3 . 26517 1 505 . 1 1 44 44 ARG HG2 H 1 0.563 0.009 . 2 . 449 . . 559 ARG HG2 . 26517 1 506 . 1 1 44 44 ARG HG3 H 1 0.494 0.006 . 2 . 450 . . 559 ARG HG3 . 26517 1 507 . 1 1 44 44 ARG HD2 H 1 2.116 0.012 . 2 . 452 . . 559 ARG HD2 . 26517 1 508 . 1 1 44 44 ARG HD3 H 1 2.067 0.020 . 2 . 453 . . 559 ARG HD3 . 26517 1 509 . 1 1 44 44 ARG CA C 13 55.475 0.200 . 1 . 443 . . 559 ARG CA . 26517 1 510 . 1 1 44 44 ARG CB C 13 31.249 0.171 . 1 . 445 . . 559 ARG CB . 26517 1 511 . 1 1 44 44 ARG CG C 13 26.375 0.080 . 1 . 448 . . 559 ARG CG . 26517 1 512 . 1 1 44 44 ARG CD C 13 42.770 0.032 . 1 . 451 . . 559 ARG CD . 26517 1 513 . 1 1 44 44 ARG N N 15 127.788 0.049 . 1 . 441 . . 559 ARG N . 26517 1 514 . 1 1 45 45 MET H H 1 9.608 0.009 . 1 . 455 . . 560 MET H . 26517 1 515 . 1 1 45 45 MET HA H 1 4.505 0.005 . 1 . 457 . . 560 MET HA . 26517 1 516 . 1 1 45 45 MET HB2 H 1 1.924 0.020 . 2 . 459 . . 560 MET HB2 . 26517 1 517 . 1 1 45 45 MET HB3 H 1 1.780 0.020 . 2 . 460 . . 560 MET HB3 . 26517 1 518 . 1 1 45 45 MET HG2 H 1 2.463 0.005 . 2 . 462 . . 560 MET HG2 . 26517 1 519 . 1 1 45 45 MET HG3 H 1 1.909 0.005 . 2 . 463 . . 560 MET HG3 . 26517 1 520 . 1 1 45 45 MET HE1 H 1 1.169 0.004 . 1 . 464 . . 560 MET HE1 . 26517 1 521 . 1 1 45 45 MET HE2 H 1 1.169 0.004 . 1 . 464 . . 560 MET HE2 . 26517 1 522 . 1 1 45 45 MET HE3 H 1 1.169 0.004 . 1 . 464 . . 560 MET HE3 . 26517 1 523 . 1 1 45 45 MET CA C 13 55.317 0.015 . 1 . 456 . . 560 MET CA . 26517 1 524 . 1 1 45 45 MET CB C 13 38.063 0.114 . 1 . 458 . . 560 MET CB . 26517 1 525 . 1 1 45 45 MET CG C 13 33.264 0.057 . 1 . 461 . . 560 MET CG . 26517 1 526 . 1 1 45 45 MET CE C 13 19.333 0.031 . 1 . 465 . . 560 MET CE . 26517 1 527 . 1 1 45 45 MET N N 15 128.096 0.084 . 1 . 454 . . 560 MET N . 26517 1 528 . 1 1 46 46 LYS H H 1 8.936 0.013 . 1 . 467 . . 561 LYS H . 26517 1 529 . 1 1 46 46 LYS HA H 1 4.791 0.010 . 1 . 468 . . 561 LYS HA . 26517 1 530 . 1 1 46 46 LYS HB2 H 1 1.998 0.018 . 2 . 470 . . 561 LYS HB2 . 26517 1 531 . 1 1 46 46 LYS HB3 H 1 1.661 0.026 . 2 . 471 . . 561 LYS HB3 . 26517 1 532 . 1 1 46 46 LYS HG2 H 1 0.924 0.007 . 2 . 473 . . 561 LYS HG2 . 26517 1 533 . 1 1 46 46 LYS HG3 H 1 0.356 0.010 . 2 . 474 . . 561 LYS HG3 . 26517 1 534 . 1 1 46 46 LYS HD2 H 1 1.302 0.003 . 2 . 476 . . 561 LYS HD2 . 26517 1 535 . 1 1 46 46 LYS HD3 H 1 1.243 0.005 . 2 . 477 . . 561 LYS HD3 . 26517 1 536 . 1 1 46 46 LYS HE2 H 1 2.242 0.003 . 2 . 479 . . 561 LYS HE2 . 26517 1 537 . 1 1 46 46 LYS HE3 H 1 1.708 0.020 . 2 . 480 . . 561 LYS HE3 . 26517 1 538 . 1 1 46 46 LYS CB C 13 35.072 0.097 . 1 . 469 . . 561 LYS CB . 26517 1 539 . 1 1 46 46 LYS CG C 13 25.134 0.061 . 1 . 472 . . 561 LYS CG . 26517 1 540 . 1 1 46 46 LYS CD C 13 29.636 0.107 . 1 . 475 . . 561 LYS CD . 26517 1 541 . 1 1 46 46 LYS CE C 13 41.226 0.037 . 1 . 478 . . 561 LYS CE . 26517 1 542 . 1 1 46 46 LYS N N 15 120.445 0.078 . 1 . 466 . . 561 LYS N . 26517 1 543 . 1 1 47 47 GLN H H 1 7.412 0.006 . 1 . 482 . . 562 GLN H . 26517 1 544 . 1 1 47 47 GLN HA H 1 4.022 0.001 . 1 . 484 . . 562 GLN HA . 26517 1 545 . 1 1 47 47 GLN HB2 H 1 1.771 0.010 . 1 . 486 . . 562 GLN HB2 . 26517 1 546 . 1 1 47 47 GLN HB3 H 1 1.771 0.010 . 1 . 1137 . . 562 GLN HB3 . 26517 1 547 . 1 1 47 47 GLN HG2 H 1 2.263 0.003 . 2 . 488 . . 562 GLN HG2 . 26517 1 548 . 1 1 47 47 GLN HG3 H 1 2.143 0.001 . 2 . 489 . . 562 GLN HG3 . 26517 1 549 . 1 1 47 47 GLN HE21 H 1 6.853 0.010 . 1 . 491 . . 562 GLN HE21 . 26517 1 550 . 1 1 47 47 GLN HE22 H 1 7.562 0.020 . 1 . 492 . . 562 GLN HE22 . 26517 1 551 . 1 1 47 47 GLN CA C 13 53.575 0.045 . 1 . 483 . . 562 GLN CA . 26517 1 552 . 1 1 47 47 GLN CB C 13 32.864 0.061 . 1 . 485 . . 562 GLN CB . 26517 1 553 . 1 1 47 47 GLN CG C 13 33.130 0.175 . 1 . 487 . . 562 GLN CG . 26517 1 554 . 1 1 47 47 GLN N N 15 113.119 0.030 . 1 . 481 . . 562 GLN N . 26517 1 555 . 1 1 47 47 GLN NE2 N 15 111.961 0.115 . 1 . 490 . . 562 GLN NE2 . 26517 1 556 . 1 1 48 48 PHE H H 1 8.874 0.015 . 1 . 494 . . 563 PHE H . 26517 1 557 . 1 1 48 48 PHE HA H 1 4.187 0.002 . 1 . 496 . . 563 PHE HA . 26517 1 558 . 1 1 48 48 PHE HB2 H 1 3.179 0.004 . 2 . 498 . . 563 PHE HB2 . 26517 1 559 . 1 1 48 48 PHE HB3 H 1 2.895 0.004 . 2 . 499 . . 563 PHE HB3 . 26517 1 560 . 1 1 48 48 PHE HD1 H 1 7.281 0.002 . 1 . 500 . . 563 PHE HD1 . 26517 1 561 . 1 1 48 48 PHE HD2 H 1 7.281 0.002 . 1 . 500 . . 563 PHE HD2 . 26517 1 562 . 1 1 48 48 PHE HE1 H 1 7.353 0.005 . 1 . 501 . . 563 PHE HE1 . 26517 1 563 . 1 1 48 48 PHE HE2 H 1 7.353 0.005 . 1 . 501 . . 563 PHE HE2 . 26517 1 564 . 1 1 48 48 PHE HZ H 1 6.907 0.006 . 1 . 505 . . 563 PHE HZ . 26517 1 565 . 1 1 48 48 PHE CA C 13 62.316 0.111 . 1 . 495 . . 563 PHE CA . 26517 1 566 . 1 1 48 48 PHE CB C 13 36.642 0.037 . 1 . 497 . . 563 PHE CB . 26517 1 567 . 1 1 48 48 PHE CD1 C 13 131.110 0.099 . 1 . 502 . . 563 PHE CD1 . 26517 1 568 . 1 1 48 48 PHE CD2 C 13 131.110 0.099 . 1 . 502 . . 563 PHE CD2 . 26517 1 569 . 1 1 48 48 PHE CE1 C 13 131.189 0.201 . 1 . 503 . . 563 PHE CE1 . 26517 1 570 . 1 1 48 48 PHE CE2 C 13 131.189 0.201 . 1 . 503 . . 563 PHE CE2 . 26517 1 571 . 1 1 48 48 PHE CZ C 13 130.486 0.065 . 1 . 504 . . 563 PHE CZ . 26517 1 572 . 1 1 48 48 PHE N N 15 124.341 0.048 . 1 . 493 . . 563 PHE N . 26517 1 573 . 1 1 49 49 PRO HA H 1 4.079 0.004 . 1 . 508 . . 564 PRO HA . 26517 1 574 . 1 1 49 49 PRO HB2 H 1 2.312 0.009 . 2 . 510 . . 564 PRO HB2 . 26517 1 575 . 1 1 49 49 PRO HB3 H 1 1.777 0.020 . 2 . 511 . . 564 PRO HB3 . 26517 1 576 . 1 1 49 49 PRO HG2 H 1 2.075 0.001 . 2 . 513 . . 564 PRO HG2 . 26517 1 577 . 1 1 49 49 PRO HG3 H 1 1.954 0.015 . 2 . 514 . . 564 PRO HG3 . 26517 1 578 . 1 1 49 49 PRO HD2 H 1 3.838 0.005 . 2 . 515 . . 564 PRO HD2 . 26517 1 579 . 1 1 49 49 PRO HD3 H 1 3.572 0.011 . 2 . 516 . . 564 PRO HD3 . 26517 1 580 . 1 1 49 49 PRO CA C 13 66.438 0.116 . 1 . 507 . . 564 PRO CA . 26517 1 581 . 1 1 49 49 PRO CB C 13 30.939 0.128 . 1 . 509 . . 564 PRO CB . 26517 1 582 . 1 1 49 49 PRO CG C 13 28.492 0.085 . 1 . 512 . . 564 PRO CG . 26517 1 583 . 1 1 49 49 PRO CD C 13 50.377 0.163 . 1 . 506 . . 564 PRO CD . 26517 1 584 . 1 1 50 50 GLU H H 1 7.152 0.013 . 1 . 518 . . 565 GLU H . 26517 1 585 . 1 1 50 50 GLU HA H 1 4.031 0.020 . 1 . 520 . . 565 GLU HA . 26517 1 586 . 1 1 50 50 GLU HB2 H 1 2.362 0.020 . 2 . 522 . . 565 GLU HB2 . 26517 1 587 . 1 1 50 50 GLU HB3 H 1 2.067 0.010 . 2 . 523 . . 565 GLU HB3 . 26517 1 588 . 1 1 50 50 GLU HG2 H 1 2.288 0.013 . 1 . 525 . . 565 GLU HG2 . 26517 1 589 . 1 1 50 50 GLU HG3 H 1 2.288 0.013 . 1 . 1138 . . 565 GLU HG3 . 26517 1 590 . 1 1 50 50 GLU CA C 13 58.800 0.049 . 1 . 519 . . 565 GLU CA . 26517 1 591 . 1 1 50 50 GLU CB C 13 30.068 0.080 . 1 . 521 . . 565 GLU CB . 26517 1 592 . 1 1 50 50 GLU CG C 13 36.893 0.200 . 1 . 524 . . 565 GLU CG . 26517 1 593 . 1 1 50 50 GLU N N 15 113.981 0.014 . 1 . 517 . . 565 GLU N . 26517 1 594 . 1 1 51 51 VAL H H 1 7.336 0.007 . 1 . 527 . . 566 VAL H . 26517 1 595 . 1 1 51 51 VAL HA H 1 3.786 0.006 . 1 . 529 . . 566 VAL HA . 26517 1 596 . 1 1 51 51 VAL HB H 1 1.944 0.007 . 1 . 531 . . 566 VAL HB . 26517 1 597 . 1 1 51 51 VAL HG11 H 1 -0.400 0.001 . 2 . 532 . . 566 VAL HG11 . 26517 1 598 . 1 1 51 51 VAL HG12 H 1 -0.400 0.001 . 2 . 532 . . 566 VAL HG12 . 26517 1 599 . 1 1 51 51 VAL HG13 H 1 -0.400 0.001 . 2 . 532 . . 566 VAL HG13 . 26517 1 600 . 1 1 51 51 VAL HG21 H 1 0.770 0.020 . 2 . 533 . . 566 VAL HG21 . 26517 1 601 . 1 1 51 51 VAL HG22 H 1 0.770 0.020 . 2 . 533 . . 566 VAL HG22 . 26517 1 602 . 1 1 51 51 VAL HG23 H 1 0.770 0.020 . 2 . 533 . . 566 VAL HG23 . 26517 1 603 . 1 1 51 51 VAL CA C 13 66.074 0.024 . 1 . 528 . . 566 VAL CA . 26517 1 604 . 1 1 51 51 VAL CB C 13 31.688 0.023 . 1 . 530 . . 566 VAL CB . 26517 1 605 . 1 1 51 51 VAL CG1 C 13 19.078 0.005 . 2 . 534 . . 566 VAL CG1 . 26517 1 606 . 1 1 51 51 VAL CG2 C 13 22.607 0.042 . 2 . 535 . . 566 VAL CG2 . 26517 1 607 . 1 1 51 51 VAL N N 15 122.190 0.026 . 1 . 526 . . 566 VAL N . 26517 1 608 . 1 1 52 52 ILE H H 1 7.723 0.003 . 1 . 537 . . 567 ILE H . 26517 1 609 . 1 1 52 52 ILE HA H 1 3.342 0.006 . 1 . 539 . . 567 ILE HA . 26517 1 610 . 1 1 52 52 ILE HB H 1 1.726 0.002 . 1 . 541 . . 567 ILE HB . 26517 1 611 . 1 1 52 52 ILE HG12 H 1 1.135 0.005 . 2 . 545 . . 567 ILE HG12 . 26517 1 612 . 1 1 52 52 ILE HG13 H 1 0.770 0.013 . 2 . 546 . . 567 ILE HG13 . 26517 1 613 . 1 1 52 52 ILE HG21 H 1 0.770 0.001 . 1 . 542 . . 567 ILE HG21 . 26517 1 614 . 1 1 52 52 ILE HG22 H 1 0.770 0.001 . 1 . 542 . . 567 ILE HG22 . 26517 1 615 . 1 1 52 52 ILE HG23 H 1 0.770 0.001 . 1 . 542 . . 567 ILE HG23 . 26517 1 616 . 1 1 52 52 ILE HD11 H 1 0.473 0.008 . 1 . 547 . . 567 ILE HD11 . 26517 1 617 . 1 1 52 52 ILE HD12 H 1 0.473 0.008 . 1 . 547 . . 567 ILE HD12 . 26517 1 618 . 1 1 52 52 ILE HD13 H 1 0.473 0.008 . 1 . 547 . . 567 ILE HD13 . 26517 1 619 . 1 1 52 52 ILE CA C 13 64.443 0.025 . 1 . 538 . . 567 ILE CA . 26517 1 620 . 1 1 52 52 ILE CB C 13 36.893 0.045 . 1 . 540 . . 567 ILE CB . 26517 1 621 . 1 1 52 52 ILE CG1 C 13 28.347 0.082 . 1 . 544 . . 567 ILE CG1 . 26517 1 622 . 1 1 52 52 ILE CG2 C 13 17.066 0.017 . 1 . 543 . . 567 ILE CG2 . 26517 1 623 . 1 1 52 52 ILE CD1 C 13 11.699 0.007 . 1 . 548 . . 567 ILE CD1 . 26517 1 624 . 1 1 52 52 ILE N N 15 118.352 0.015 . 1 . 536 . . 567 ILE N . 26517 1 625 . 1 1 53 53 LYS H H 1 7.619 0.002 . 1 . 550 . . 568 LYS H . 26517 1 626 . 1 1 53 53 LYS HA H 1 4.005 0.011 . 1 . 552 . . 568 LYS HA . 26517 1 627 . 1 1 53 53 LYS HB2 H 1 1.836 0.005 . 1 . 554 . . 568 LYS HB2 . 26517 1 628 . 1 1 53 53 LYS HB3 H 1 1.836 0.005 . 1 . 1139 . . 568 LYS HB3 . 26517 1 629 . 1 1 53 53 LYS HG2 H 1 1.465 0.002 . 2 . 556 . . 568 LYS HG2 . 26517 1 630 . 1 1 53 53 LYS HG3 H 1 1.390 0.020 . 2 . 557 . . 568 LYS HG3 . 26517 1 631 . 1 1 53 53 LYS HD2 H 1 1.634 0.012 . 1 . 559 . . 568 LYS HD2 . 26517 1 632 . 1 1 53 53 LYS HD3 H 1 1.634 0.012 . 1 . 1140 . . 568 LYS HD3 . 26517 1 633 . 1 1 53 53 LYS HE2 H 1 2.878 0.024 . 1 . 561 . . 568 LYS HE2 . 26517 1 634 . 1 1 53 53 LYS HE3 H 1 2.878 0.024 . 1 . 1141 . . 568 LYS HE3 . 26517 1 635 . 1 1 53 53 LYS CA C 13 59.298 0.056 . 1 . 551 . . 568 LYS CA . 26517 1 636 . 1 1 53 53 LYS CB C 13 32.333 0.036 . 1 . 553 . . 568 LYS CB . 26517 1 637 . 1 1 53 53 LYS CG C 13 25.016 0.030 . 1 . 555 . . 568 LYS CG . 26517 1 638 . 1 1 53 53 LYS CD C 13 29.361 0.200 . 1 . 558 . . 568 LYS CD . 26517 1 639 . 1 1 53 53 LYS CE C 13 41.841 0.004 . 1 . 560 . . 568 LYS CE . 26517 1 640 . 1 1 53 53 LYS N N 15 119.675 0.035 . 1 . 549 . . 568 LYS N . 26517 1 641 . 1 1 54 54 TYR H H 1 7.919 0.003 . 1 . 563 . . 569 TYR H . 26517 1 642 . 1 1 54 54 TYR HA H 1 3.928 0.004 . 1 . 565 . . 569 TYR HA . 26517 1 643 . 1 1 54 54 TYR HB2 H 1 3.357 0.020 . 2 . 567 . . 569 TYR HB2 . 26517 1 644 . 1 1 54 54 TYR HB3 H 1 3.218 0.001 . 2 . 568 . . 569 TYR HB3 . 26517 1 645 . 1 1 54 54 TYR HD1 H 1 6.959 0.002 . 1 . 569 . . 569 TYR HD1 . 26517 1 646 . 1 1 54 54 TYR HD2 H 1 6.959 0.002 . 1 . 569 . . 569 TYR HD2 . 26517 1 647 . 1 1 54 54 TYR HE1 H 1 6.680 0.006 . 1 . 570 . . 569 TYR HE1 . 26517 1 648 . 1 1 54 54 TYR HE2 H 1 6.680 0.006 . 1 . 570 . . 569 TYR HE2 . 26517 1 649 . 1 1 54 54 TYR CA C 13 62.194 0.053 . 1 . 564 . . 569 TYR CA . 26517 1 650 . 1 1 54 54 TYR CB C 13 39.673 0.043 . 1 . 566 . . 569 TYR CB . 26517 1 651 . 1 1 54 54 TYR CD1 C 13 133.863 0.081 . 1 . 572 . . 569 TYR CD1 . 26517 1 652 . 1 1 54 54 TYR CD2 C 13 133.863 0.081 . 1 . 572 . . 569 TYR CD2 . 26517 1 653 . 1 1 54 54 TYR CE1 C 13 117.962 0.044 . 1 . 571 . . 569 TYR CE1 . 26517 1 654 . 1 1 54 54 TYR CE2 C 13 117.962 0.044 . 1 . 571 . . 569 TYR CE2 . 26517 1 655 . 1 1 54 54 TYR N N 15 122.728 0.022 . 1 . 562 . . 569 TYR N . 26517 1 656 . 1 1 55 55 LEU H H 1 8.766 0.020 . 1 . 574 . . 570 LEU H . 26517 1 657 . 1 1 55 55 LEU HA H 1 4.151 0.006 . 1 . 576 . . 570 LEU HA . 26517 1 658 . 1 1 55 55 LEU HB2 H 1 1.888 0.013 . 2 . 578 . . 570 LEU HB2 . 26517 1 659 . 1 1 55 55 LEU HB3 H 1 1.615 0.005 . 2 . 579 . . 570 LEU HB3 . 26517 1 660 . 1 1 55 55 LEU HG H 1 2.017 0.020 . 1 . 581 . . 570 LEU HG . 26517 1 661 . 1 1 55 55 LEU HD11 H 1 0.589 0.010 . 2 . 582 . . 570 LEU HD11 . 26517 1 662 . 1 1 55 55 LEU HD12 H 1 0.589 0.010 . 2 . 582 . . 570 LEU HD12 . 26517 1 663 . 1 1 55 55 LEU HD13 H 1 0.589 0.010 . 2 . 582 . . 570 LEU HD13 . 26517 1 664 . 1 1 55 55 LEU HD21 H 1 0.950 0.004 . 2 . 583 . . 570 LEU HD21 . 26517 1 665 . 1 1 55 55 LEU HD22 H 1 0.950 0.004 . 2 . 583 . . 570 LEU HD22 . 26517 1 666 . 1 1 55 55 LEU HD23 H 1 0.950 0.004 . 2 . 583 . . 570 LEU HD23 . 26517 1 667 . 1 1 55 55 LEU CA C 13 57.146 0.119 . 1 . 575 . . 570 LEU CA . 26517 1 668 . 1 1 55 55 LEU CB C 13 41.397 0.033 . 1 . 577 . . 570 LEU CB . 26517 1 669 . 1 1 55 55 LEU CG C 13 26.514 0.015 . 1 . 580 . . 570 LEU CG . 26517 1 670 . 1 1 55 55 LEU CD1 C 13 25.087 0.022 . 2 . 584 . . 570 LEU CD1 . 26517 1 671 . 1 1 55 55 LEU CD2 C 13 22.806 0.005 . 2 . 585 . . 570 LEU CD2 . 26517 1 672 . 1 1 55 55 LEU N N 15 117.924 0.013 . 1 . 573 . . 570 LEU N . 26517 1 673 . 1 1 56 56 SER H H 1 7.634 0.006 . 1 . 587 . . 571 SER H . 26517 1 674 . 1 1 56 56 SER HA H 1 4.337 0.020 . 1 . 589 . . 571 SER HA . 26517 1 675 . 1 1 56 56 SER HB2 H 1 3.974 0.002 . 1 . 591 . . 571 SER HB2 . 26517 1 676 . 1 1 56 56 SER HB3 H 1 3.974 0.002 . 1 . 1142 . . 571 SER HB3 . 26517 1 677 . 1 1 56 56 SER CA C 13 60.473 0.200 . 1 . 588 . . 571 SER CA . 26517 1 678 . 1 1 56 56 SER CB C 13 63.305 0.011 . 1 . 590 . . 571 SER CB . 26517 1 679 . 1 1 56 56 SER N N 15 112.155 0.010 . 1 . 586 . . 571 SER N . 26517 1 680 . 1 1 57 57 ARG H H 1 7.649 0.009 . 1 . 593 . . 572 ARG H . 26517 1 681 . 1 1 57 57 ARG HA H 1 4.231 0.020 . 1 . 595 . . 572 ARG HA . 26517 1 682 . 1 1 57 57 ARG HB2 H 1 1.755 0.020 . 2 . 597 . . 572 ARG HB2 . 26517 1 683 . 1 1 57 57 ARG HB3 H 1 1.650 0.001 . 2 . 598 . . 572 ARG HB3 . 26517 1 684 . 1 1 57 57 ARG HG2 H 1 1.621 0.031 . 2 . 600 . . 572 ARG HG2 . 26517 1 685 . 1 1 57 57 ARG HG3 H 1 1.554 0.020 . 2 . 601 . . 572 ARG HG3 . 26517 1 686 . 1 1 57 57 ARG HD2 H 1 3.030 0.010 . 1 . 603 . . 572 ARG HD2 . 26517 1 687 . 1 1 57 57 ARG HD3 H 1 3.030 0.010 . 1 . 1143 . . 572 ARG HD3 . 26517 1 688 . 1 1 57 57 ARG CA C 13 56.929 0.097 . 1 . 594 . . 572 ARG CA . 26517 1 689 . 1 1 57 57 ARG CB C 13 31.062 0.027 . 1 . 596 . . 572 ARG CB . 26517 1 690 . 1 1 57 57 ARG CG C 13 27.021 0.053 . 1 . 599 . . 572 ARG CG . 26517 1 691 . 1 1 57 57 ARG CD C 13 43.258 0.061 . 1 . 602 . . 572 ARG CD . 26517 1 692 . 1 1 57 57 ARG N N 15 120.073 0.072 . 1 . 592 . . 572 ARG N . 26517 1 693 . 1 1 58 58 ASN H H 1 7.665 0.005 . 1 . 605 . . 573 ASN H . 26517 1 694 . 1 1 58 58 ASN HA H 1 4.747 0.005 . 1 . 607 . . 573 ASN HA . 26517 1 695 . 1 1 58 58 ASN HB2 H 1 2.535 0.011 . 2 . 609 . . 573 ASN HB2 . 26517 1 696 . 1 1 58 58 ASN HB3 H 1 2.340 0.006 . 2 . 610 . . 573 ASN HB3 . 26517 1 697 . 1 1 58 58 ASN HD21 H 1 6.446 0.005 . 1 . 612 . . 573 ASN HD21 . 26517 1 698 . 1 1 58 58 ASN HD22 H 1 6.673 0.005 . 1 . 613 . . 573 ASN HD22 . 26517 1 699 . 1 1 58 58 ASN CA C 13 52.760 0.006 . 1 . 606 . . 573 ASN CA . 26517 1 700 . 1 1 58 58 ASN CB C 13 39.941 0.102 . 1 . 608 . . 573 ASN CB . 26517 1 701 . 1 1 58 58 ASN N N 15 117.160 0.235 . 1 . 604 . . 573 ASN N . 26517 1 702 . 1 1 58 58 ASN ND2 N 15 114.270 0.079 . 1 . 611 . . 573 ASN ND2 . 26517 1 703 . 1 1 59 59 VAL H H 1 8.069 0.008 . 1 . 615 . . 574 VAL H . 26517 1 704 . 1 1 59 59 VAL HA H 1 3.883 0.009 . 1 . 617 . . 574 VAL HA . 26517 1 705 . 1 1 59 59 VAL HB H 1 2.097 0.003 . 1 . 619 . . 574 VAL HB . 26517 1 706 . 1 1 59 59 VAL HG11 H 1 0.836 0.020 . 2 . 620 . . 574 VAL HG11 . 26517 1 707 . 1 1 59 59 VAL HG12 H 1 0.836 0.020 . 2 . 620 . . 574 VAL HG12 . 26517 1 708 . 1 1 59 59 VAL HG13 H 1 0.836 0.020 . 2 . 620 . . 574 VAL HG13 . 26517 1 709 . 1 1 59 59 VAL HG21 H 1 0.837 0.020 . 2 . 621 . . 574 VAL HG21 . 26517 1 710 . 1 1 59 59 VAL HG22 H 1 0.837 0.020 . 2 . 621 . . 574 VAL HG22 . 26517 1 711 . 1 1 59 59 VAL HG23 H 1 0.837 0.020 . 2 . 621 . . 574 VAL HG23 . 26517 1 712 . 1 1 59 59 VAL CA C 13 62.966 0.016 . 1 . 616 . . 574 VAL CA . 26517 1 713 . 1 1 59 59 VAL CB C 13 31.324 0.036 . 1 . 618 . . 574 VAL CB . 26517 1 714 . 1 1 59 59 VAL CG1 C 13 21.514 0.110 . 2 . 622 . . 574 VAL CG1 . 26517 1 715 . 1 1 59 59 VAL CG2 C 13 20.708 0.022 . 2 . 623 . . 574 VAL CG2 . 26517 1 716 . 1 1 59 59 VAL N N 15 119.798 0.019 . 1 . 614 . . 574 VAL N . 26517 1 717 . 1 1 60 60 VAL H H 1 8.261 0.007 . 1 . 625 . . 575 VAL H . 26517 1 718 . 1 1 60 60 VAL HA H 1 4.165 0.009 . 1 . 627 . . 575 VAL HA . 26517 1 719 . 1 1 60 60 VAL HB H 1 2.199 0.003 . 1 . 629 . . 575 VAL HB . 26517 1 720 . 1 1 60 60 VAL HG11 H 1 1.043 0.020 . 2 . 630 . . 575 VAL HG11 . 26517 1 721 . 1 1 60 60 VAL HG12 H 1 1.043 0.020 . 2 . 630 . . 575 VAL HG12 . 26517 1 722 . 1 1 60 60 VAL HG13 H 1 1.043 0.020 . 2 . 630 . . 575 VAL HG13 . 26517 1 723 . 1 1 60 60 VAL HG21 H 1 1.031 0.003 . 2 . 631 . . 575 VAL HG21 . 26517 1 724 . 1 1 60 60 VAL HG22 H 1 1.031 0.003 . 2 . 631 . . 575 VAL HG22 . 26517 1 725 . 1 1 60 60 VAL HG23 H 1 1.031 0.003 . 2 . 631 . . 575 VAL HG23 . 26517 1 726 . 1 1 60 60 VAL CA C 13 61.983 0.034 . 1 . 626 . . 575 VAL CA . 26517 1 727 . 1 1 60 60 VAL CB C 13 33.087 0.036 . 1 . 628 . . 575 VAL CB . 26517 1 728 . 1 1 60 60 VAL CG1 C 13 21.999 0.167 . 2 . 632 . . 575 VAL CG1 . 26517 1 729 . 1 1 60 60 VAL CG2 C 13 21.084 0.004 . 2 . 633 . . 575 VAL CG2 . 26517 1 730 . 1 1 60 60 VAL N N 15 123.398 0.008 . 1 . 624 . . 575 VAL N . 26517 1 731 . 1 1 61 61 HIS HA H 1 4.750 0.004 . 1 . 635 . . 576 HIS HA . 26517 1 732 . 1 1 61 61 HIS HB2 H 1 3.160 0.020 . 2 . 637 . . 576 HIS HB2 . 26517 1 733 . 1 1 61 61 HIS HB3 H 1 3.096 0.002 . 2 . 638 . . 576 HIS HB3 . 26517 1 734 . 1 1 61 61 HIS HD2 H 1 7.070 0.020 . 1 . 641 . . 576 HIS HD2 . 26517 1 735 . 1 1 61 61 HIS HE1 H 1 7.821 0.020 . 1 . 642 . . 576 HIS HE1 . 26517 1 736 . 1 1 61 61 HIS CA C 13 56.780 0.200 . 1 . 634 . . 576 HIS CA . 26517 1 737 . 1 1 61 61 HIS CB C 13 31.353 0.107 . 1 . 636 . . 576 HIS CB . 26517 1 738 . 1 1 61 61 HIS CD2 C 13 119.477 0.135 . 1 . 639 . . 576 HIS CD2 . 26517 1 739 . 1 1 61 61 HIS CE1 C 13 138.423 0.200 . 1 . 640 . . 576 HIS CE1 . 26517 1 740 . 1 1 62 62 SER HA H 1 4.070 0.020 . 1 . 644 . . 577 SER HA . 26517 1 741 . 1 1 62 62 SER HB2 H 1 3.529 0.002 . 2 . 646 . . 577 SER HB2 . 26517 1 742 . 1 1 62 62 SER HB3 H 1 3.385 0.020 . 2 . 647 . . 577 SER HB3 . 26517 1 743 . 1 1 62 62 SER CA C 13 60.515 0.018 . 1 . 643 . . 577 SER CA . 26517 1 744 . 1 1 62 62 SER CB C 13 62.882 0.054 . 1 . 645 . . 577 SER CB . 26517 1 745 . 1 1 63 63 VAL H H 1 7.257 0.006 . 1 . 649 . . 578 VAL H . 26517 1 746 . 1 1 63 63 VAL HA H 1 4.269 0.001 . 1 . 651 . . 578 VAL HA . 26517 1 747 . 1 1 63 63 VAL HB H 1 1.919 0.005 . 1 . 653 . . 578 VAL HB . 26517 1 748 . 1 1 63 63 VAL HG11 H 1 0.549 0.003 . 2 . 654 . . 578 VAL HG11 . 26517 1 749 . 1 1 63 63 VAL HG12 H 1 0.549 0.003 . 2 . 654 . . 578 VAL HG12 . 26517 1 750 . 1 1 63 63 VAL HG13 H 1 0.549 0.003 . 2 . 654 . . 578 VAL HG13 . 26517 1 751 . 1 1 63 63 VAL HG21 H 1 0.655 0.001 . 2 . 655 . . 578 VAL HG21 . 26517 1 752 . 1 1 63 63 VAL HG22 H 1 0.655 0.001 . 2 . 655 . . 578 VAL HG22 . 26517 1 753 . 1 1 63 63 VAL HG23 H 1 0.655 0.001 . 2 . 655 . . 578 VAL HG23 . 26517 1 754 . 1 1 63 63 VAL CA C 13 60.704 0.035 . 1 . 650 . . 578 VAL CA . 26517 1 755 . 1 1 63 63 VAL CB C 13 33.587 0.024 . 1 . 652 . . 578 VAL CB . 26517 1 756 . 1 1 63 63 VAL CG1 C 13 22.086 0.010 . 2 . 656 . . 578 VAL CG1 . 26517 1 757 . 1 1 63 63 VAL CG2 C 13 20.313 0.006 . 2 . 657 . . 578 VAL CG2 . 26517 1 758 . 1 1 63 63 VAL N N 15 116.674 0.067 . 1 . 648 . . 578 VAL N . 26517 1 759 . 1 1 64 64 ARG H H 1 10.335 0.012 . 1 . 659 . . 579 ARG H . 26517 1 760 . 1 1 64 64 ARG HA H 1 4.652 0.006 . 1 . 661 . . 579 ARG HA . 26517 1 761 . 1 1 64 64 ARG HB2 H 1 1.973 0.010 . 2 . 663 . . 579 ARG HB2 . 26517 1 762 . 1 1 64 64 ARG HB3 H 1 1.102 0.004 . 2 . 664 . . 579 ARG HB3 . 26517 1 763 . 1 1 64 64 ARG HG2 H 1 1.464 0.012 . 1 . 666 . . 579 ARG HG2 . 26517 1 764 . 1 1 64 64 ARG HG3 H 1 1.464 0.012 . 1 . 1144 . . 579 ARG HG3 . 26517 1 765 . 1 1 64 64 ARG HD2 H 1 3.196 0.020 . 2 . 668 . . 579 ARG HD2 . 26517 1 766 . 1 1 64 64 ARG HD3 H 1 3.114 0.013 . 2 . 669 . . 579 ARG HD3 . 26517 1 767 . 1 1 64 64 ARG CA C 13 54.242 0.061 . 1 . 660 . . 579 ARG CA . 26517 1 768 . 1 1 64 64 ARG CB C 13 34.485 0.084 . 1 . 662 . . 579 ARG CB . 26517 1 769 . 1 1 64 64 ARG CG C 13 27.448 0.263 . 1 . 665 . . 579 ARG CG . 26517 1 770 . 1 1 64 64 ARG CD C 13 43.231 0.100 . 1 . 667 . . 579 ARG CD . 26517 1 771 . 1 1 64 64 ARG N N 15 126.332 0.092 . 1 . 658 . . 579 ARG N . 26517 1 772 . 1 1 65 65 ARG H H 1 8.810 0.005 . 1 . 671 . . 580 ARG H . 26517 1 773 . 1 1 65 65 ARG HA H 1 3.870 0.011 . 1 . 673 . . 580 ARG HA . 26517 1 774 . 1 1 65 65 ARG HB2 H 1 1.878 0.007 . 2 . 675 . . 580 ARG HB2 . 26517 1 775 . 1 1 65 65 ARG HB3 H 1 1.728 0.012 . 2 . 676 . . 580 ARG HB3 . 26517 1 776 . 1 1 65 65 ARG HG2 H 1 1.694 0.004 . 2 . 678 . . 580 ARG HG2 . 26517 1 777 . 1 1 65 65 ARG HG3 H 1 1.604 0.007 . 2 . 679 . . 580 ARG HG3 . 26517 1 778 . 1 1 65 65 ARG HD2 H 1 3.105 0.005 . 1 . 681 . . 580 ARG HD2 . 26517 1 779 . 1 1 65 65 ARG HD3 H 1 3.105 0.005 . 1 . 1145 . . 580 ARG HD3 . 26517 1 780 . 1 1 65 65 ARG CA C 13 60.061 0.077 . 1 . 672 . . 580 ARG CA . 26517 1 781 . 1 1 65 65 ARG CB C 13 29.900 0.045 . 1 . 674 . . 580 ARG CB . 26517 1 782 . 1 1 65 65 ARG CG C 13 26.238 0.166 . 1 . 677 . . 580 ARG CG . 26517 1 783 . 1 1 65 65 ARG CD C 13 43.538 0.053 . 1 . 680 . . 580 ARG CD . 26517 1 784 . 1 1 65 65 ARG N N 15 119.744 0.043 . 1 . 670 . . 580 ARG N . 26517 1 785 . 1 1 66 66 GLU H H 1 9.052 0.011 . 1 . 683 . . 581 GLU H . 26517 1 786 . 1 1 66 66 GLU HA H 1 4.194 0.008 . 1 . 685 . . 581 GLU HA . 26517 1 787 . 1 1 66 66 GLU HB2 H 1 1.914 0.008 . 2 . 687 . . 581 GLU HB2 . 26517 1 788 . 1 1 66 66 GLU HB3 H 1 1.792 0.020 . 2 . 688 . . 581 GLU HB3 . 26517 1 789 . 1 1 66 66 GLU HG2 H 1 1.941 0.010 . 2 . 690 . . 581 GLU HG2 . 26517 1 790 . 1 1 66 66 GLU HG3 H 1 1.721 0.020 . 2 . 691 . . 581 GLU HG3 . 26517 1 791 . 1 1 66 66 GLU CA C 13 58.339 0.215 . 1 . 684 . . 581 GLU CA . 26517 1 792 . 1 1 66 66 GLU CB C 13 27.984 0.078 . 1 . 686 . . 581 GLU CB . 26517 1 793 . 1 1 66 66 GLU CG C 13 35.733 0.063 . 1 . 689 . . 581 GLU CG . 26517 1 794 . 1 1 66 66 GLU N N 15 116.336 0.012 . 1 . 682 . . 581 GLU N . 26517 1 795 . 1 1 67 67 HIS H H 1 7.854 0.004 . 1 . 693 . . 582 HIS H . 26517 1 796 . 1 1 67 67 HIS HA H 1 4.168 0.002 . 1 . 695 . . 582 HIS HA . 26517 1 797 . 1 1 67 67 HIS HB2 H 1 3.075 0.003 . 2 . 697 . . 582 HIS HB2 . 26517 1 798 . 1 1 67 67 HIS HB3 H 1 2.644 0.004 . 2 . 698 . . 582 HIS HB3 . 26517 1 799 . 1 1 67 67 HIS HD2 H 1 6.716 0.008 . 1 . 701 . . 582 HIS HD2 . 26517 1 800 . 1 1 67 67 HIS HE1 H 1 7.489 0.003 . 1 . 702 . . 582 HIS HE1 . 26517 1 801 . 1 1 67 67 HIS CA C 13 56.769 0.035 . 1 . 694 . . 582 HIS CA . 26517 1 802 . 1 1 67 67 HIS CB C 13 31.075 0.077 . 1 . 696 . . 582 HIS CB . 26517 1 803 . 1 1 67 67 HIS CD2 C 13 114.738 0.192 . 1 . 699 . . 582 HIS CD2 . 26517 1 804 . 1 1 67 67 HIS CE1 C 13 137.285 0.066 . 1 . 700 . . 582 HIS CE1 . 26517 1 805 . 1 1 67 67 HIS N N 15 117.398 0.017 . 1 . 692 . . 582 HIS N . 26517 1 806 . 1 1 68 68 PHE H H 1 7.323 0.020 . 1 . 704 . . 583 PHE H . 26517 1 807 . 1 1 68 68 PHE HA H 1 3.954 0.020 . 1 . 706 . . 583 PHE HA . 26517 1 808 . 1 1 68 68 PHE HB2 H 1 2.891 0.001 . 2 . 708 . . 583 PHE HB2 . 26517 1 809 . 1 1 68 68 PHE HB3 H 1 2.067 0.004 . 2 . 709 . . 583 PHE HB3 . 26517 1 810 . 1 1 68 68 PHE HD1 H 1 6.089 0.014 . 1 . 710 . . 583 PHE HD1 . 26517 1 811 . 1 1 68 68 PHE HD2 H 1 6.089 0.014 . 1 . 710 . . 583 PHE HD2 . 26517 1 812 . 1 1 68 68 PHE HE1 H 1 6.033 0.020 . 1 . 711 . . 583 PHE HE1 . 26517 1 813 . 1 1 68 68 PHE HE2 H 1 6.033 0.020 . 1 . 711 . . 583 PHE HE2 . 26517 1 814 . 1 1 68 68 PHE HZ H 1 6.774 0.017 . 1 . 714 . . 583 PHE HZ . 26517 1 815 . 1 1 68 68 PHE CA C 13 58.281 0.010 . 1 . 705 . . 583 PHE CA . 26517 1 816 . 1 1 68 68 PHE CB C 13 41.562 0.091 . 1 . 707 . . 583 PHE CB . 26517 1 817 . 1 1 68 68 PHE CD1 C 13 130.893 0.020 . 1 . 712 . . 583 PHE CD1 . 26517 1 818 . 1 1 68 68 PHE CD2 C 13 130.893 0.020 . 1 . 712 . . 583 PHE CD2 . 26517 1 819 . 1 1 68 68 PHE CE1 C 13 130.877 0.200 . 1 . 715 . . 583 PHE CE1 . 26517 1 820 . 1 1 68 68 PHE CE2 C 13 130.877 0.200 . 1 . 715 . . 583 PHE CE2 . 26517 1 821 . 1 1 68 68 PHE CZ C 13 128.759 0.050 . 1 . 713 . . 583 PHE CZ . 26517 1 822 . 1 1 68 68 PHE N N 15 115.626 0.033 . 1 . 703 . . 583 PHE N . 26517 1 823 . 1 1 69 69 SER H H 1 8.043 0.020 . 1 . 717 . . 584 SER H . 26517 1 824 . 1 1 69 69 SER HA H 1 4.800 0.001 . 1 . 718 . . 584 SER HA . 26517 1 825 . 1 1 69 69 SER HB2 H 1 3.881 0.020 . 2 . 720 . . 584 SER HB2 . 26517 1 826 . 1 1 69 69 SER HB3 H 1 3.297 0.020 . 2 . 721 . . 584 SER HB3 . 26517 1 827 . 1 1 69 69 SER CB C 13 65.963 0.094 . 1 . 719 . . 584 SER CB . 26517 1 828 . 1 1 69 69 SER N N 15 110.934 0.074 . 1 . 716 . . 584 SER N . 26517 1 829 . 1 1 70 70 PHE H H 1 7.303 0.020 . 1 . 723 . . 585 PHE H . 26517 1 830 . 1 1 70 70 PHE HA H 1 4.533 0.001 . 1 . 725 . . 585 PHE HA . 26517 1 831 . 1 1 70 70 PHE HB2 H 1 2.945 0.005 . 2 . 727 . . 585 PHE HB2 . 26517 1 832 . 1 1 70 70 PHE HB3 H 1 3.684 0.009 . 2 . 728 . . 585 PHE HB3 . 26517 1 833 . 1 1 70 70 PHE HD1 H 1 7.337 0.009 . 1 . 729 . . 585 PHE HD1 . 26517 1 834 . 1 1 70 70 PHE HD2 H 1 7.337 0.009 . 1 . 729 . . 585 PHE HD2 . 26517 1 835 . 1 1 70 70 PHE HE1 H 1 6.927 0.001 . 1 . 730 . . 585 PHE HE1 . 26517 1 836 . 1 1 70 70 PHE HE2 H 1 6.927 0.001 . 1 . 730 . . 585 PHE HE2 . 26517 1 837 . 1 1 70 70 PHE HZ H 1 6.439 0.003 . 1 . 733 . . 585 PHE HZ . 26517 1 838 . 1 1 70 70 PHE CA C 13 58.550 0.045 . 1 . 724 . . 585 PHE CA . 26517 1 839 . 1 1 70 70 PHE CB C 13 37.966 0.031 . 1 . 726 . . 585 PHE CB . 26517 1 840 . 1 1 70 70 PHE CD1 C 13 132.036 0.104 . 1 . 731 . . 585 PHE CD1 . 26517 1 841 . 1 1 70 70 PHE CD2 C 13 132.036 0.104 . 1 . 731 . . 585 PHE CD2 . 26517 1 842 . 1 1 70 70 PHE CE1 C 13 130.652 0.020 . 1 . 734 . . 585 PHE CE1 . 26517 1 843 . 1 1 70 70 PHE CE2 C 13 130.652 0.020 . 1 . 734 . . 585 PHE CE2 . 26517 1 844 . 1 1 70 70 PHE CZ C 13 133.204 0.167 . 1 . 732 . . 585 PHE CZ . 26517 1 845 . 1 1 70 70 PHE N N 15 112.139 0.200 . 1 . 722 . . 585 PHE N . 26517 1 846 . 1 1 71 71 SER H H 1 8.085 0.004 . 1 . 736 . . 586 SER H . 26517 1 847 . 1 1 71 71 SER HA H 1 4.813 0.014 . 1 . 737 . . 586 SER HA . 26517 1 848 . 1 1 71 71 SER HB2 H 1 4.055 0.020 . 2 . 739 . . 586 SER HB2 . 26517 1 849 . 1 1 71 71 SER HB3 H 1 3.725 0.020 . 2 . 740 . . 586 SER HB3 . 26517 1 850 . 1 1 71 71 SER CB C 13 63.782 0.017 . 1 . 738 . . 586 SER CB . 26517 1 851 . 1 1 71 71 SER N N 15 116.709 0.023 . 1 . 735 . . 586 SER N . 26517 1 852 . 1 1 72 72 PRO HA H 1 4.456 0.016 . 1 . 743 . . 587 PRO HA . 26517 1 853 . 1 1 72 72 PRO HB2 H 1 1.831 0.004 . 2 . 745 . . 587 PRO HB2 . 26517 1 854 . 1 1 72 72 PRO HB3 H 1 1.672 0.020 . 2 . 746 . . 587 PRO HB3 . 26517 1 855 . 1 1 72 72 PRO HG2 H 1 2.072 0.002 . 2 . 748 . . 587 PRO HG2 . 26517 1 856 . 1 1 72 72 PRO HG3 H 1 1.851 0.003 . 2 . 749 . . 587 PRO HG3 . 26517 1 857 . 1 1 72 72 PRO HD2 H 1 4.177 0.011 . 2 . 750 . . 587 PRO HD2 . 26517 1 858 . 1 1 72 72 PRO HD3 H 1 4.117 0.020 . 2 . 751 . . 587 PRO HD3 . 26517 1 859 . 1 1 72 72 PRO CA C 13 63.661 0.094 . 1 . 742 . . 587 PRO CA . 26517 1 860 . 1 1 72 72 PRO CB C 13 32.184 0.086 . 1 . 744 . . 587 PRO CB . 26517 1 861 . 1 1 72 72 PRO CG C 13 26.901 0.117 . 1 . 747 . . 587 PRO CG . 26517 1 862 . 1 1 72 72 PRO CD C 13 51.130 0.088 . 1 . 741 . . 587 PRO CD . 26517 1 863 . 1 1 73 73 ARG H H 1 7.165 0.014 . 1 . 753 . . 588 ARG H . 26517 1 864 . 1 1 73 73 ARG HA H 1 4.247 0.005 . 1 . 755 . . 588 ARG HA . 26517 1 865 . 1 1 73 73 ARG HB2 H 1 1.957 0.006 . 2 . 757 . . 588 ARG HB2 . 26517 1 866 . 1 1 73 73 ARG HB3 H 1 1.382 0.008 . 2 . 758 . . 588 ARG HB3 . 26517 1 867 . 1 1 73 73 ARG HG2 H 1 1.473 0.003 . 2 . 760 . . 588 ARG HG2 . 26517 1 868 . 1 1 73 73 ARG HG3 H 1 1.426 0.020 . 2 . 761 . . 588 ARG HG3 . 26517 1 869 . 1 1 73 73 ARG HD2 H 1 3.165 0.016 . 1 . 763 . . 588 ARG HD2 . 26517 1 870 . 1 1 73 73 ARG HD3 H 1 3.165 0.016 . 1 . 1146 . . 588 ARG HD3 . 26517 1 871 . 1 1 73 73 ARG CA C 13 55.238 0.147 . 1 . 754 . . 588 ARG CA . 26517 1 872 . 1 1 73 73 ARG CB C 13 30.270 0.043 . 1 . 756 . . 588 ARG CB . 26517 1 873 . 1 1 73 73 ARG CG C 13 28.293 0.043 . 1 . 759 . . 588 ARG CG . 26517 1 874 . 1 1 73 73 ARG CD C 13 43.453 0.015 . 1 . 762 . . 588 ARG CD . 26517 1 875 . 1 1 73 73 ARG N N 15 111.090 0.066 . 1 . 752 . . 588 ARG N . 26517 1 876 . 1 1 74 74 MET H H 1 7.127 0.004 . 1 . 765 . . 589 MET H . 26517 1 877 . 1 1 74 74 MET HA H 1 4.908 0.020 . 1 . 767 . . 589 MET HA . 26517 1 878 . 1 1 74 74 MET HB2 H 1 2.164 0.014 . 1 . 769 . . 589 MET HB2 . 26517 1 879 . 1 1 74 74 MET HB3 H 1 2.164 0.014 . 1 . 1147 . . 589 MET HB3 . 26517 1 880 . 1 1 74 74 MET HG2 H 1 2.444 0.009 . 1 . 771 . . 589 MET HG2 . 26517 1 881 . 1 1 74 74 MET HG3 H 1 2.444 0.009 . 1 . 1148 . . 589 MET HG3 . 26517 1 882 . 1 1 74 74 MET HE1 H 1 1.942 0.005 . 1 . 772 . . 589 MET HE1 . 26517 1 883 . 1 1 74 74 MET HE2 H 1 1.942 0.005 . 1 . 772 . . 589 MET HE2 . 26517 1 884 . 1 1 74 74 MET HE3 H 1 1.942 0.005 . 1 . 772 . . 589 MET HE3 . 26517 1 885 . 1 1 74 74 MET CA C 13 51.265 0.200 . 1 . 766 . . 589 MET CA . 26517 1 886 . 1 1 74 74 MET CB C 13 31.968 0.150 . 1 . 768 . . 589 MET CB . 26517 1 887 . 1 1 74 74 MET CG C 13 32.129 0.061 . 1 . 770 . . 589 MET CG . 26517 1 888 . 1 1 74 74 MET CE C 13 16.064 0.009 . 1 . 773 . . 589 MET CE . 26517 1 889 . 1 1 74 74 MET N N 15 121.229 0.081 . 1 . 764 . . 589 MET N . 26517 1 890 . 1 1 75 75 PRO HA H 1 4.620 0.015 . 1 . 776 . . 590 PRO HA . 26517 1 891 . 1 1 75 75 PRO HB2 H 1 2.214 0.006 . 2 . 778 . . 590 PRO HB2 . 26517 1 892 . 1 1 75 75 PRO HB3 H 1 1.296 0.011 . 2 . 779 . . 590 PRO HB3 . 26517 1 893 . 1 1 75 75 PRO HG2 H 1 1.974 0.008 . 2 . 781 . . 590 PRO HG2 . 26517 1 894 . 1 1 75 75 PRO HG3 H 1 1.710 0.018 . 2 . 782 . . 590 PRO HG3 . 26517 1 895 . 1 1 75 75 PRO HD2 H 1 4.067 0.011 . 2 . 783 . . 590 PRO HD2 . 26517 1 896 . 1 1 75 75 PRO HD3 H 1 3.901 0.005 . 2 . 784 . . 590 PRO HD3 . 26517 1 897 . 1 1 75 75 PRO CA C 13 62.904 0.069 . 1 . 775 . . 590 PRO CA . 26517 1 898 . 1 1 75 75 PRO CB C 13 27.942 0.049 . 1 . 777 . . 590 PRO CB . 26517 1 899 . 1 1 75 75 PRO CG C 13 27.089 0.163 . 1 . 780 . . 590 PRO CG . 26517 1 900 . 1 1 75 75 PRO CD C 13 51.211 0.017 . 1 . 774 . . 590 PRO CD . 26517 1 901 . 1 1 76 76 VAL H H 1 8.369 0.010 . 1 . 786 . . 591 VAL H . 26517 1 902 . 1 1 76 76 VAL HA H 1 4.192 0.017 . 1 . 788 . . 591 VAL HA . 26517 1 903 . 1 1 76 76 VAL HB H 1 1.359 0.005 . 1 . 790 . . 591 VAL HB . 26517 1 904 . 1 1 76 76 VAL HG11 H 1 0.771 0.007 . 2 . 791 . . 591 VAL HG11 . 26517 1 905 . 1 1 76 76 VAL HG12 H 1 0.771 0.007 . 2 . 791 . . 591 VAL HG12 . 26517 1 906 . 1 1 76 76 VAL HG13 H 1 0.771 0.007 . 2 . 791 . . 591 VAL HG13 . 26517 1 907 . 1 1 76 76 VAL HG21 H 1 0.768 0.002 . 2 . 792 . . 591 VAL HG21 . 26517 1 908 . 1 1 76 76 VAL HG22 H 1 0.768 0.002 . 2 . 792 . . 591 VAL HG22 . 26517 1 909 . 1 1 76 76 VAL HG23 H 1 0.768 0.002 . 2 . 792 . . 591 VAL HG23 . 26517 1 910 . 1 1 76 76 VAL CA C 13 61.961 0.057 . 1 . 787 . . 591 VAL CA . 26517 1 911 . 1 1 76 76 VAL CB C 13 35.844 0.060 . 1 . 789 . . 591 VAL CB . 26517 1 912 . 1 1 76 76 VAL CG1 C 13 22.267 0.005 . 2 . 793 . . 591 VAL CG1 . 26517 1 913 . 1 1 76 76 VAL CG2 C 13 21.404 0.095 . 2 . 794 . . 591 VAL CG2 . 26517 1 914 . 1 1 76 76 VAL N N 15 124.562 0.033 . 1 . 785 . . 591 VAL N . 26517 1 915 . 1 1 77 77 GLY H H 1 8.765 0.015 . 1 . 796 . . 592 GLY H . 26517 1 916 . 1 1 77 77 GLY HA2 H 1 4.564 0.020 . 2 . 798 . . 592 GLY HA2 . 26517 1 917 . 1 1 77 77 GLY HA3 H 1 3.739 0.020 . 2 . 799 . . 592 GLY HA3 . 26517 1 918 . 1 1 77 77 GLY CA C 13 43.115 0.075 . 1 . 797 . . 592 GLY CA . 26517 1 919 . 1 1 77 77 GLY N N 15 115.843 0.015 . 1 . 795 . . 592 GLY N . 26517 1 920 . 1 1 78 78 ASP H H 1 8.447 0.018 . 1 . 801 . . 593 ASP H . 26517 1 921 . 1 1 78 78 ASP HA H 1 4.816 0.001 . 1 . 802 . . 593 ASP HA . 26517 1 922 . 1 1 78 78 ASP HB2 H 1 2.542 0.020 . 2 . 804 . . 593 ASP HB2 . 26517 1 923 . 1 1 78 78 ASP HB3 H 1 2.391 0.020 . 2 . 805 . . 593 ASP HB3 . 26517 1 924 . 1 1 78 78 ASP CB C 13 43.701 0.090 . 1 . 803 . . 593 ASP CB . 26517 1 925 . 1 1 78 78 ASP N N 15 119.351 0.065 . 1 . 800 . . 593 ASP N . 26517 1 926 . 1 1 79 79 PHE H H 1 9.237 0.001 . 1 . 807 . . 594 PHE H . 26517 1 927 . 1 1 79 79 PHE HA H 1 5.383 0.011 . 1 . 809 . . 594 PHE HA . 26517 1 928 . 1 1 79 79 PHE HB2 H 1 2.864 0.003 . 2 . 811 . . 594 PHE HB2 . 26517 1 929 . 1 1 79 79 PHE HB3 H 1 2.386 0.026 . 2 . 812 . . 594 PHE HB3 . 26517 1 930 . 1 1 79 79 PHE HD1 H 1 6.920 0.011 . 1 . 813 . . 594 PHE HD1 . 26517 1 931 . 1 1 79 79 PHE HD2 H 1 6.920 0.011 . 1 . 813 . . 594 PHE HD2 . 26517 1 932 . 1 1 79 79 PHE HE1 H 1 6.952 0.019 . 1 . 814 . . 594 PHE HE1 . 26517 1 933 . 1 1 79 79 PHE HE2 H 1 6.952 0.019 . 1 . 814 . . 594 PHE HE2 . 26517 1 934 . 1 1 79 79 PHE HZ H 1 7.182 0.020 . 1 . 817 . . 594 PHE HZ . 26517 1 935 . 1 1 79 79 PHE CA C 13 56.065 0.034 . 1 . 808 . . 594 PHE CA . 26517 1 936 . 1 1 79 79 PHE CB C 13 43.410 0.085 . 1 . 810 . . 594 PHE CB . 26517 1 937 . 1 1 79 79 PHE CD1 C 13 130.321 0.086 . 1 . 815 . . 594 PHE CD1 . 26517 1 938 . 1 1 79 79 PHE CD2 C 13 130.321 0.086 . 1 . 815 . . 594 PHE CD2 . 26517 1 939 . 1 1 79 79 PHE CE1 C 13 131.352 0.200 . 1 . 818 . . 594 PHE CE1 . 26517 1 940 . 1 1 79 79 PHE CE2 C 13 131.352 0.200 . 1 . 818 . . 594 PHE CE2 . 26517 1 941 . 1 1 79 79 PHE CZ C 13 131.328 0.200 . 1 . 816 . . 594 PHE CZ . 26517 1 942 . 1 1 79 79 PHE N N 15 124.501 0.025 . 1 . 806 . . 594 PHE N . 26517 1 943 . 1 1 80 80 PHE H H 1 9.235 0.020 . 1 . 820 . . 595 PHE H . 26517 1 944 . 1 1 80 80 PHE HA H 1 5.425 0.009 . 1 . 822 . . 595 PHE HA . 26517 1 945 . 1 1 80 80 PHE HB2 H 1 2.988 0.018 . 2 . 824 . . 595 PHE HB2 . 26517 1 946 . 1 1 80 80 PHE HB3 H 1 2.590 0.016 . 2 . 825 . . 595 PHE HB3 . 26517 1 947 . 1 1 80 80 PHE HD1 H 1 6.761 0.031 . 1 . 826 . . 595 PHE HD1 . 26517 1 948 . 1 1 80 80 PHE HD2 H 1 6.761 0.031 . 1 . 826 . . 595 PHE HD2 . 26517 1 949 . 1 1 80 80 PHE HE1 H 1 7.053 0.003 . 1 . 827 . . 595 PHE HE1 . 26517 1 950 . 1 1 80 80 PHE HE2 H 1 7.053 0.003 . 1 . 827 . . 595 PHE HE2 . 26517 1 951 . 1 1 80 80 PHE HZ H 1 7.077 0.004 . 1 . 830 . . 595 PHE HZ . 26517 1 952 . 1 1 80 80 PHE CA C 13 55.904 0.123 . 1 . 821 . . 595 PHE CA . 26517 1 953 . 1 1 80 80 PHE CB C 13 45.124 0.064 . 1 . 823 . . 595 PHE CB . 26517 1 954 . 1 1 80 80 PHE CD1 C 13 131.100 0.073 . 1 . 828 . . 595 PHE CD1 . 26517 1 955 . 1 1 80 80 PHE CD2 C 13 131.100 0.073 . 1 . 828 . . 595 PHE CD2 . 26517 1 956 . 1 1 80 80 PHE CE1 C 13 131.110 0.200 . 1 . 831 . . 595 PHE CE1 . 26517 1 957 . 1 1 80 80 PHE CE2 C 13 131.110 0.200 . 1 . 831 . . 595 PHE CE2 . 26517 1 958 . 1 1 80 80 PHE CZ C 13 129.698 0.260 . 1 . 829 . . 595 PHE CZ . 26517 1 959 . 1 1 80 80 PHE N N 15 118.735 0.058 . 1 . 819 . . 595 PHE N . 26517 1 960 . 1 1 81 81 GLU H H 1 9.468 0.010 . 1 . 833 . . 596 GLU H . 26517 1 961 . 1 1 81 81 GLU HA H 1 5.849 0.004 . 1 . 835 . . 596 GLU HA . 26517 1 962 . 1 1 81 81 GLU HB2 H 1 1.926 0.006 . 1 . 837 . . 596 GLU HB2 . 26517 1 963 . 1 1 81 81 GLU HB3 H 1 1.926 0.006 . 1 . 1149 . . 596 GLU HB3 . 26517 1 964 . 1 1 81 81 GLU HG2 H 1 2.075 0.015 . 1 . 839 . . 596 GLU HG2 . 26517 1 965 . 1 1 81 81 GLU HG3 H 1 2.075 0.015 . 1 . 1150 . . 596 GLU HG3 . 26517 1 966 . 1 1 81 81 GLU CA C 13 53.694 0.014 . 1 . 834 . . 596 GLU CA . 26517 1 967 . 1 1 81 81 GLU CB C 13 35.383 0.042 . 1 . 836 . . 596 GLU CB . 26517 1 968 . 1 1 81 81 GLU CG C 13 36.816 0.031 . 1 . 838 . . 596 GLU CG . 26517 1 969 . 1 1 81 81 GLU N N 15 121.636 0.019 . 1 . 832 . . 596 GLU N . 26517 1 970 . 1 1 82 82 GLU H H 1 8.239 0.005 . 1 . 841 . . 597 GLU H . 26517 1 971 . 1 1 82 82 GLU HA H 1 4.015 0.008 . 1 . 843 . . 597 GLU HA . 26517 1 972 . 1 1 82 82 GLU HB2 H 1 1.507 0.003 . 1 . 845 . . 597 GLU HB2 . 26517 1 973 . 1 1 82 82 GLU HB3 H 1 1.507 0.003 . 1 . 1151 . . 597 GLU HB3 . 26517 1 974 . 1 1 82 82 GLU HG2 H 1 1.147 0.004 . 2 . 847 . . 597 GLU HG2 . 26517 1 975 . 1 1 82 82 GLU HG3 H 1 0.696 0.011 . 2 . 848 . . 597 GLU HG3 . 26517 1 976 . 1 1 82 82 GLU CA C 13 55.688 0.118 . 1 . 842 . . 597 GLU CA . 26517 1 977 . 1 1 82 82 GLU CB C 13 29.435 0.126 . 1 . 844 . . 597 GLU CB . 26517 1 978 . 1 1 82 82 GLU CG C 13 37.178 0.054 . 1 . 846 . . 597 GLU CG . 26517 1 979 . 1 1 82 82 GLU N N 15 128.720 0.090 . 1 . 840 . . 597 GLU N . 26517 1 980 . 1 1 83 83 ARG H H 1 9.011 0.011 . 1 . 850 . . 598 ARG H . 26517 1 981 . 1 1 83 83 ARG HA H 1 4.685 0.002 . 1 . 852 . . 598 ARG HA . 26517 1 982 . 1 1 83 83 ARG HB2 H 1 1.793 0.020 . 2 . 854 . . 598 ARG HB2 . 26517 1 983 . 1 1 83 83 ARG HB3 H 1 1.598 0.020 . 2 . 855 . . 598 ARG HB3 . 26517 1 984 . 1 1 83 83 ARG HG2 H 1 1.601 0.012 . 1 . 857 . . 598 ARG HG2 . 26517 1 985 . 1 1 83 83 ARG HG3 H 1 1.601 0.012 . 1 . 1152 . . 598 ARG HG3 . 26517 1 986 . 1 1 83 83 ARG HD2 H 1 3.134 0.017 . 2 . 859 . . 598 ARG HD2 . 26517 1 987 . 1 1 83 83 ARG HD3 H 1 2.992 0.009 . 2 . 860 . . 598 ARG HD3 . 26517 1 988 . 1 1 83 83 ARG CA C 13 54.658 0.115 . 1 . 851 . . 598 ARG CA . 26517 1 989 . 1 1 83 83 ARG CB C 13 34.242 0.115 . 1 . 853 . . 598 ARG CB . 26517 1 990 . 1 1 83 83 ARG CG C 13 27.160 0.048 . 1 . 856 . . 598 ARG CG . 26517 1 991 . 1 1 83 83 ARG CD C 13 43.669 0.200 . 1 . 858 . . 598 ARG CD . 26517 1 992 . 1 1 83 83 ARG N N 15 126.756 0.038 . 1 . 849 . . 598 ARG N . 26517 1 993 . 1 1 84 84 ASP H H 1 8.518 0.008 . 1 . 862 . . 599 ASP H . 26517 1 994 . 1 1 84 84 ASP HA H 1 4.612 0.020 . 1 . 864 . . 599 ASP HA . 26517 1 995 . 1 1 84 84 ASP HB2 H 1 2.547 0.003 . 2 . 866 . . 599 ASP HB2 . 26517 1 996 . 1 1 84 84 ASP HB3 H 1 2.391 0.002 . 2 . 867 . . 599 ASP HB3 . 26517 1 997 . 1 1 84 84 ASP CA C 13 54.866 0.087 . 1 . 863 . . 599 ASP CA . 26517 1 998 . 1 1 84 84 ASP CB C 13 41.328 0.018 . 1 . 865 . . 599 ASP CB . 26517 1 999 . 1 1 84 84 ASP N N 15 121.763 0.017 . 1 . 861 . . 599 ASP N . 26517 1 1000 . 1 1 85 85 THR H H 1 7.667 0.006 . 1 . 869 . . 600 THR H . 26517 1 1001 . 1 1 85 85 THR HA H 1 4.995 0.010 . 1 . 871 . . 600 THR HA . 26517 1 1002 . 1 1 85 85 THR HB H 1 4.529 0.003 . 1 . 873 . . 600 THR HB . 26517 1 1003 . 1 1 85 85 THR HG21 H 1 1.156 0.003 . 1 . 874 . . 600 THR HG21 . 26517 1 1004 . 1 1 85 85 THR HG22 H 1 1.156 0.003 . 1 . 874 . . 600 THR HG22 . 26517 1 1005 . 1 1 85 85 THR HG23 H 1 1.156 0.003 . 1 . 874 . . 600 THR HG23 . 26517 1 1006 . 1 1 85 85 THR CA C 13 60.254 0.028 . 1 . 870 . . 600 THR CA . 26517 1 1007 . 1 1 85 85 THR CB C 13 70.398 0.141 . 1 . 872 . . 600 THR CB . 26517 1 1008 . 1 1 85 85 THR CG2 C 13 21.144 0.015 . 1 . 875 . . 600 THR CG2 . 26517 1 1009 . 1 1 85 85 THR N N 15 116.659 0.053 . 1 . 868 . . 600 THR N . 26517 1 1010 . 1 1 86 86 PRO HA H 1 4.341 0.013 . 1 . 878 . . 601 PRO HA . 26517 1 1011 . 1 1 86 86 PRO HB2 H 1 2.397 0.020 . 2 . 880 . . 601 PRO HB2 . 26517 1 1012 . 1 1 86 86 PRO HB3 H 1 1.892 0.020 . 2 . 881 . . 601 PRO HB3 . 26517 1 1013 . 1 1 86 86 PRO HG2 H 1 2.125 0.011 . 2 . 883 . . 601 PRO HG2 . 26517 1 1014 . 1 1 86 86 PRO HG3 H 1 1.908 0.026 . 2 . 884 . . 601 PRO HG3 . 26517 1 1015 . 1 1 86 86 PRO HD2 H 1 3.887 0.008 . 2 . 885 . . 601 PRO HD2 . 26517 1 1016 . 1 1 86 86 PRO HD3 H 1 3.782 0.020 . 2 . 886 . . 601 PRO HD3 . 26517 1 1017 . 1 1 86 86 PRO CA C 13 65.124 0.216 . 1 . 877 . . 601 PRO CA . 26517 1 1018 . 1 1 86 86 PRO CB C 13 31.630 0.127 . 1 . 879 . . 601 PRO CB . 26517 1 1019 . 1 1 86 86 PRO CG C 13 28.116 0.054 . 1 . 882 . . 601 PRO CG . 26517 1 1020 . 1 1 86 86 PRO CD C 13 50.856 0.110 . 1 . 876 . . 601 PRO CD . 26517 1 1021 . 1 1 87 87 GLU H H 1 7.721 0.011 . 1 . 888 . . 602 GLU H . 26517 1 1022 . 1 1 87 87 GLU HA H 1 4.369 0.002 . 1 . 890 . . 602 GLU HA . 26517 1 1023 . 1 1 87 87 GLU HB2 H 1 1.703 0.008 . 2 . 892 . . 602 GLU HB2 . 26517 1 1024 . 1 1 87 87 GLU HB3 H 1 2.193 0.010 . 2 . 893 . . 602 GLU HB3 . 26517 1 1025 . 1 1 87 87 GLU HG2 H 1 2.223 0.020 . 2 . 895 . . 602 GLU HG2 . 26517 1 1026 . 1 1 87 87 GLU HG3 H 1 2.101 0.020 . 2 . 896 . . 602 GLU HG3 . 26517 1 1027 . 1 1 87 87 GLU CA C 13 55.927 0.038 . 1 . 889 . . 602 GLU CA . 26517 1 1028 . 1 1 87 87 GLU CB C 13 29.655 0.022 . 1 . 891 . . 602 GLU CB . 26517 1 1029 . 1 1 87 87 GLU CG C 13 36.853 0.067 . 1 . 894 . . 602 GLU CG . 26517 1 1030 . 1 1 87 87 GLU N N 15 114.318 0.011 . 1 . 887 . . 602 GLU N . 26517 1 1031 . 1 1 88 88 GLY H H 1 7.820 0.016 . 1 . 898 . . 603 GLY H . 26517 1 1032 . 1 1 88 88 GLY HA2 H 1 4.462 0.020 . 2 . 900 . . 603 GLY HA2 . 26517 1 1033 . 1 1 88 88 GLY HA3 H 1 3.817 0.020 . 2 . 901 . . 603 GLY HA3 . 26517 1 1034 . 1 1 88 88 GLY CA C 13 43.578 0.067 . 1 . 899 . . 603 GLY CA . 26517 1 1035 . 1 1 88 88 GLY N N 15 109.166 0.046 . 1 . 897 . . 603 GLY N . 26517 1 1036 . 1 1 89 89 LEU H H 1 8.484 0.015 . 1 . 903 . . 604 LEU H . 26517 1 1037 . 1 1 89 89 LEU HA H 1 4.625 0.009 . 1 . 905 . . 604 LEU HA . 26517 1 1038 . 1 1 89 89 LEU HB2 H 1 1.454 0.008 . 2 . 907 . . 604 LEU HB2 . 26517 1 1039 . 1 1 89 89 LEU HB3 H 1 1.141 0.010 . 2 . 908 . . 604 LEU HB3 . 26517 1 1040 . 1 1 89 89 LEU HG H 1 1.361 0.005 . 1 . 910 . . 604 LEU HG . 26517 1 1041 . 1 1 89 89 LEU HD11 H 1 0.649 0.020 . 2 . 911 . . 604 LEU HD11 . 26517 1 1042 . 1 1 89 89 LEU HD12 H 1 0.649 0.020 . 2 . 911 . . 604 LEU HD12 . 26517 1 1043 . 1 1 89 89 LEU HD13 H 1 0.649 0.020 . 2 . 911 . . 604 LEU HD13 . 26517 1 1044 . 1 1 89 89 LEU HD21 H 1 0.574 0.013 . 2 . 912 . . 604 LEU HD21 . 26517 1 1045 . 1 1 89 89 LEU HD22 H 1 0.574 0.013 . 2 . 912 . . 604 LEU HD22 . 26517 1 1046 . 1 1 89 89 LEU HD23 H 1 0.574 0.013 . 2 . 912 . . 604 LEU HD23 . 26517 1 1047 . 1 1 89 89 LEU CA C 13 55.535 0.104 . 1 . 904 . . 604 LEU CA . 26517 1 1048 . 1 1 89 89 LEU CB C 13 42.049 0.065 . 1 . 906 . . 604 LEU CB . 26517 1 1049 . 1 1 89 89 LEU CG C 13 26.731 0.023 . 1 . 909 . . 604 LEU CG . 26517 1 1050 . 1 1 89 89 LEU CD1 C 13 24.601 0.007 . 2 . 913 . . 604 LEU CD1 . 26517 1 1051 . 1 1 89 89 LEU CD2 C 13 23.723 0.026 . 2 . 914 . . 604 LEU CD2 . 26517 1 1052 . 1 1 89 89 LEU N N 15 123.682 0.065 . 1 . 902 . . 604 LEU N . 26517 1 1053 . 1 1 90 90 GLN H H 1 8.806 0.027 . 1 . 916 . . 605 GLN H . 26517 1 1054 . 1 1 90 90 GLN HA H 1 4.680 0.003 . 1 . 918 . . 605 GLN HA . 26517 1 1055 . 1 1 90 90 GLN HB2 H 1 1.712 0.015 . 1 . 920 . . 605 GLN HB2 . 26517 1 1056 . 1 1 90 90 GLN HB3 H 1 1.712 0.015 . 1 . 1153 . . 605 GLN HB3 . 26517 1 1057 . 1 1 90 90 GLN HG2 H 1 2.201 0.004 . 2 . 922 . . 605 GLN HG2 . 26517 1 1058 . 1 1 90 90 GLN HG3 H 1 2.048 0.020 . 2 . 923 . . 605 GLN HG3 . 26517 1 1059 . 1 1 90 90 GLN HE21 H 1 6.869 0.020 . 1 . 925 . . 605 GLN HE21 . 26517 1 1060 . 1 1 90 90 GLN HE22 H 1 7.280 0.020 . 1 . 926 . . 605 GLN HE22 . 26517 1 1061 . 1 1 90 90 GLN CA C 13 54.270 0.020 . 1 . 917 . . 605 GLN CA . 26517 1 1062 . 1 1 90 90 GLN CB C 13 33.279 0.027 . 1 . 919 . . 605 GLN CB . 26517 1 1063 . 1 1 90 90 GLN CG C 13 33.389 0.189 . 1 . 921 . . 605 GLN CG . 26517 1 1064 . 1 1 90 90 GLN N N 15 123.187 0.026 . 1 . 915 . . 605 GLN N . 26517 1 1065 . 1 1 90 90 GLN NE2 N 15 112.165 0.037 . 1 . 924 . . 605 GLN NE2 . 26517 1 1066 . 1 1 91 91 TRP H H 1 8.779 0.001 . 1 . 928 . . 606 TRP H . 26517 1 1067 . 1 1 91 91 TRP HA H 1 4.883 0.020 . 1 . 929 . . 606 TRP HA . 26517 1 1068 . 1 1 91 91 TRP HB2 H 1 3.061 0.020 . 2 . 931 . . 606 TRP HB2 . 26517 1 1069 . 1 1 91 91 TRP HB3 H 1 2.822 0.020 . 2 . 932 . . 606 TRP HB3 . 26517 1 1070 . 1 1 91 91 TRP HD1 H 1 7.295 0.025 . 1 . 936 . . 606 TRP HD1 . 26517 1 1071 . 1 1 91 91 TRP HE1 H 1 10.207 0.015 . 1 . 940 . . 606 TRP HE1 . 26517 1 1072 . 1 1 91 91 TRP HE3 H 1 7.179 0.020 . 1 . 937 . . 606 TRP HE3 . 26517 1 1073 . 1 1 91 91 TRP HZ2 H 1 7.441 0.007 . 1 . 943 . . 606 TRP HZ2 . 26517 1 1074 . 1 1 91 91 TRP HZ3 H 1 7.163 0.002 . 1 . 941 . . 606 TRP HZ3 . 26517 1 1075 . 1 1 91 91 TRP HH2 H 1 6.875 0.001 . 1 . 944 . . 606 TRP HH2 . 26517 1 1076 . 1 1 91 91 TRP CB C 13 29.954 0.062 . 1 . 930 . . 606 TRP CB . 26517 1 1077 . 1 1 91 91 TRP CD1 C 13 127.908 0.147 . 1 . 933 . . 606 TRP CD1 . 26517 1 1078 . 1 1 91 91 TRP CE3 C 13 119.510 0.156 . 1 . 934 . . 606 TRP CE3 . 26517 1 1079 . 1 1 91 91 TRP CZ2 C 13 115.335 0.049 . 1 . 939 . . 606 TRP CZ2 . 26517 1 1080 . 1 1 91 91 TRP CZ3 C 13 119.705 0.085 . 1 . 938 . . 606 TRP CZ3 . 26517 1 1081 . 1 1 91 91 TRP CH2 C 13 124.446 0.200 . 1 . 942 . . 606 TRP CH2 . 26517 1 1082 . 1 1 91 91 TRP N N 15 121.916 0.167 . 1 . 927 . . 606 TRP N . 26517 1 1083 . 1 1 91 91 TRP NE1 N 15 130.114 0.071 . 1 . 935 . . 606 TRP NE1 . 26517 1 1084 . 1 1 92 92 VAL H H 1 9.457 0.012 . 1 . 946 . . 607 VAL H . 26517 1 1085 . 1 1 92 92 VAL HA H 1 4.459 0.004 . 1 . 948 . . 607 VAL HA . 26517 1 1086 . 1 1 92 92 VAL HB H 1 1.994 0.019 . 1 . 950 . . 607 VAL HB . 26517 1 1087 . 1 1 92 92 VAL HG11 H 1 0.976 0.002 . 2 . 951 . . 607 VAL HG11 . 26517 1 1088 . 1 1 92 92 VAL HG12 H 1 0.976 0.002 . 2 . 951 . . 607 VAL HG12 . 26517 1 1089 . 1 1 92 92 VAL HG13 H 1 0.976 0.002 . 2 . 951 . . 607 VAL HG13 . 26517 1 1090 . 1 1 92 92 VAL HG21 H 1 0.924 0.002 . 2 . 952 . . 607 VAL HG21 . 26517 1 1091 . 1 1 92 92 VAL HG22 H 1 0.924 0.002 . 2 . 952 . . 607 VAL HG22 . 26517 1 1092 . 1 1 92 92 VAL HG23 H 1 0.924 0.002 . 2 . 952 . . 607 VAL HG23 . 26517 1 1093 . 1 1 92 92 VAL CA C 13 61.315 0.129 . 1 . 947 . . 607 VAL CA . 26517 1 1094 . 1 1 92 92 VAL CB C 13 34.841 0.125 . 1 . 949 . . 607 VAL CB . 26517 1 1095 . 1 1 92 92 VAL CG1 C 13 21.105 0.026 . 2 . 953 . . 607 VAL CG1 . 26517 1 1096 . 1 1 92 92 VAL CG2 C 13 20.990 0.009 . 2 . 954 . . 607 VAL CG2 . 26517 1 1097 . 1 1 92 92 VAL N N 15 125.578 0.200 . 1 . 945 . . 607 VAL N . 26517 1 1098 . 1 1 93 93 GLN H H 1 9.030 0.021 . 1 . 956 . . 608 GLN H . 26517 1 1099 . 1 1 93 93 GLN HA H 1 4.124 0.011 . 1 . 958 . . 608 GLN HA . 26517 1 1100 . 1 1 93 93 GLN HB2 H 1 1.728 0.020 . 1 . 960 . . 608 GLN HB2 . 26517 1 1101 . 1 1 93 93 GLN HB3 H 1 1.728 0.020 . 1 . 1154 . . 608 GLN HB3 . 26517 1 1102 . 1 1 93 93 GLN HG2 H 1 2.216 0.001 . 2 . 962 . . 608 GLN HG2 . 26517 1 1103 . 1 1 93 93 GLN HG3 H 1 1.582 0.003 . 2 . 963 . . 608 GLN HG3 . 26517 1 1104 . 1 1 93 93 GLN HE21 H 1 6.542 0.011 . 1 . 965 . . 608 GLN HE21 . 26517 1 1105 . 1 1 93 93 GLN HE22 H 1 7.268 0.020 . 1 . 966 . . 608 GLN HE22 . 26517 1 1106 . 1 1 93 93 GLN CA C 13 56.088 0.068 . 1 . 957 . . 608 GLN CA . 26517 1 1107 . 1 1 93 93 GLN CB C 13 27.663 0.104 . 1 . 959 . . 608 GLN CB . 26517 1 1108 . 1 1 93 93 GLN CG C 13 33.007 0.124 . 1 . 961 . . 608 GLN CG . 26517 1 1109 . 1 1 93 93 GLN N N 15 127.538 0.056 . 1 . 955 . . 608 GLN N . 26517 1 1110 . 1 1 93 93 GLN NE2 N 15 108.752 0.165 . 1 . 964 . . 608 GLN NE2 . 26517 1 1111 . 1 1 94 94 LEU H H 1 8.764 0.015 . 1 . 968 . . 609 LEU H . 26517 1 1112 . 1 1 94 94 LEU HA H 1 4.357 0.014 . 1 . 970 . . 609 LEU HA . 26517 1 1113 . 1 1 94 94 LEU HB2 H 1 1.477 0.001 . 2 . 972 . . 609 LEU HB2 . 26517 1 1114 . 1 1 94 94 LEU HB3 H 1 1.301 0.008 . 2 . 973 . . 609 LEU HB3 . 26517 1 1115 . 1 1 94 94 LEU HG H 1 1.479 0.005 . 1 . 975 . . 609 LEU HG . 26517 1 1116 . 1 1 94 94 LEU HD11 H 1 0.692 0.002 . 2 . 976 . . 609 LEU HD11 . 26517 1 1117 . 1 1 94 94 LEU HD12 H 1 0.692 0.002 . 2 . 976 . . 609 LEU HD12 . 26517 1 1118 . 1 1 94 94 LEU HD13 H 1 0.692 0.002 . 2 . 976 . . 609 LEU HD13 . 26517 1 1119 . 1 1 94 94 LEU HD21 H 1 0.645 0.013 . 2 . 977 . . 609 LEU HD21 . 26517 1 1120 . 1 1 94 94 LEU HD22 H 1 0.645 0.013 . 2 . 977 . . 609 LEU HD22 . 26517 1 1121 . 1 1 94 94 LEU HD23 H 1 0.645 0.013 . 2 . 977 . . 609 LEU HD23 . 26517 1 1122 . 1 1 94 94 LEU CA C 13 53.983 0.105 . 1 . 969 . . 609 LEU CA . 26517 1 1123 . 1 1 94 94 LEU CB C 13 42.794 0.078 . 1 . 971 . . 609 LEU CB . 26517 1 1124 . 1 1 94 94 LEU CG C 13 27.191 0.042 . 1 . 974 . . 609 LEU CG . 26517 1 1125 . 1 1 94 94 LEU CD1 C 13 26.371 0.053 . 2 . 978 . . 609 LEU CD1 . 26517 1 1126 . 1 1 94 94 LEU CD2 C 13 22.736 0.020 . 2 . 979 . . 609 LEU CD2 . 26517 1 1127 . 1 1 94 94 LEU N N 15 127.350 0.173 . 1 . 967 . . 609 LEU N . 26517 1 1128 . 1 1 95 95 SER H H 1 9.213 0.020 . 1 . 981 . . 610 SER H . 26517 1 1129 . 1 1 95 95 SER HA H 1 4.481 0.002 . 1 . 983 . . 610 SER HA . 26517 1 1130 . 1 1 95 95 SER HB2 H 1 3.935 0.005 . 2 . 985 . . 610 SER HB2 . 26517 1 1131 . 1 1 95 95 SER HB3 H 1 4.183 0.001 . 2 . 986 . . 610 SER HB3 . 26517 1 1132 . 1 1 95 95 SER CA C 13 57.115 0.035 . 1 . 982 . . 610 SER CA . 26517 1 1133 . 1 1 95 95 SER CB C 13 65.005 0.068 . 1 . 984 . . 610 SER CB . 26517 1 1134 . 1 1 95 95 SER N N 15 119.407 0.014 . 1 . 980 . . 610 SER N . 26517 1 1135 . 1 1 96 96 ALA H H 1 8.863 0.002 . 1 . 988 . . 611 ALA H . 26517 1 1136 . 1 1 96 96 ALA HA H 1 3.909 0.020 . 1 . 990 . . 611 ALA HA . 26517 1 1137 . 1 1 96 96 ALA HB1 H 1 1.375 0.001 . 1 . 991 . . 611 ALA HB1 . 26517 1 1138 . 1 1 96 96 ALA HB2 H 1 1.375 0.001 . 1 . 991 . . 611 ALA HB2 . 26517 1 1139 . 1 1 96 96 ALA HB3 H 1 1.375 0.001 . 1 . 991 . . 611 ALA HB3 . 26517 1 1140 . 1 1 96 96 ALA CA C 13 55.425 0.067 . 1 . 989 . . 611 ALA CA . 26517 1 1141 . 1 1 96 96 ALA CB C 13 18.108 0.011 . 1 . 992 . . 611 ALA CB . 26517 1 1142 . 1 1 96 96 ALA N N 15 123.236 0.064 . 1 . 987 . . 611 ALA N . 26517 1 1143 . 1 1 97 97 GLU H H 1 8.538 0.008 . 1 . 994 . . 612 GLU H . 26517 1 1144 . 1 1 97 97 GLU HA H 1 4.001 0.025 . 1 . 996 . . 612 GLU HA . 26517 1 1145 . 1 1 97 97 GLU HB2 H 1 1.946 0.020 . 1 . 998 . . 612 GLU HB2 . 26517 1 1146 . 1 1 97 97 GLU HB3 H 1 1.946 0.020 . 1 . 1155 . . 612 GLU HB3 . 26517 1 1147 . 1 1 97 97 GLU HG2 H 1 2.293 0.020 . 2 . 1000 . . 612 GLU HG2 . 26517 1 1148 . 1 1 97 97 GLU HG3 H 1 2.213 0.021 . 2 . 1001 . . 612 GLU HG3 . 26517 1 1149 . 1 1 97 97 GLU CA C 13 58.613 0.077 . 1 . 995 . . 612 GLU CA . 26517 1 1150 . 1 1 97 97 GLU CB C 13 29.039 0.088 . 1 . 997 . . 612 GLU CB . 26517 1 1151 . 1 1 97 97 GLU CG C 13 36.741 0.085 . 1 . 999 . . 612 GLU CG . 26517 1 1152 . 1 1 97 97 GLU N N 15 114.441 0.026 . 1 . 993 . . 612 GLU N . 26517 1 1153 . 1 1 98 98 GLU H H 1 7.632 0.017 . 1 . 1003 . . 613 GLU H . 26517 1 1154 . 1 1 98 98 GLU HA H 1 4.081 0.005 . 1 . 1005 . . 613 GLU HA . 26517 1 1155 . 1 1 98 98 GLU HB2 H 1 2.206 0.020 . 2 . 1007 . . 613 GLU HB2 . 26517 1 1156 . 1 1 98 98 GLU HB3 H 1 1.833 0.021 . 2 . 1008 . . 613 GLU HB3 . 26517 1 1157 . 1 1 98 98 GLU HG2 H 1 2.215 0.020 . 2 . 1010 . . 613 GLU HG2 . 26517 1 1158 . 1 1 98 98 GLU HG3 H 1 2.130 0.020 . 2 . 1011 . . 613 GLU HG3 . 26517 1 1159 . 1 1 98 98 GLU CA C 13 57.283 0.043 . 1 . 1004 . . 613 GLU CA . 26517 1 1160 . 1 1 98 98 GLU CB C 13 32.550 0.078 . 1 . 1006 . . 613 GLU CB . 26517 1 1161 . 1 1 98 98 GLU CG C 13 37.477 0.159 . 1 . 1009 . . 613 GLU CG . 26517 1 1162 . 1 1 98 98 GLU N N 15 118.838 0.015 . 1 . 1002 . . 613 GLU N . 26517 1 1163 . 1 1 99 99 ILE H H 1 7.069 0.013 . 1 . 1013 . . 614 ILE H . 26517 1 1164 . 1 1 99 99 ILE HA H 1 3.194 0.004 . 1 . 1015 . . 614 ILE HA . 26517 1 1165 . 1 1 99 99 ILE HB H 1 1.560 0.015 . 1 . 1017 . . 614 ILE HB . 26517 1 1166 . 1 1 99 99 ILE HG12 H 1 1.613 0.020 . 2 . 1021 . . 614 ILE HG12 . 26517 1 1167 . 1 1 99 99 ILE HG13 H 1 0.049 0.005 . 2 . 1022 . . 614 ILE HG13 . 26517 1 1168 . 1 1 99 99 ILE HG21 H 1 -0.164 0.007 . 1 . 1018 . . 614 ILE HG21 . 26517 1 1169 . 1 1 99 99 ILE HG22 H 1 -0.164 0.007 . 1 . 1018 . . 614 ILE HG22 . 26517 1 1170 . 1 1 99 99 ILE HG23 H 1 -0.164 0.007 . 1 . 1018 . . 614 ILE HG23 . 26517 1 1171 . 1 1 99 99 ILE HD11 H 1 0.518 0.003 . 1 . 1023 . . 614 ILE HD11 . 26517 1 1172 . 1 1 99 99 ILE HD12 H 1 0.518 0.003 . 1 . 1023 . . 614 ILE HD12 . 26517 1 1173 . 1 1 99 99 ILE HD13 H 1 0.518 0.003 . 1 . 1023 . . 614 ILE HD13 . 26517 1 1174 . 1 1 99 99 ILE CA C 13 67.892 0.183 . 1 . 1014 . . 614 ILE CA . 26517 1 1175 . 1 1 99 99 ILE CB C 13 36.646 0.031 . 1 . 1016 . . 614 ILE CB . 26517 1 1176 . 1 1 99 99 ILE CG1 C 13 30.233 0.053 . 1 . 1020 . . 614 ILE CG1 . 26517 1 1177 . 1 1 99 99 ILE CG2 C 13 15.915 0.008 . 1 . 1019 . . 614 ILE CG2 . 26517 1 1178 . 1 1 99 99 ILE CD1 C 13 13.569 0.019 . 1 . 1024 . . 614 ILE CD1 . 26517 1 1179 . 1 1 99 99 ILE N N 15 118.572 0.041 . 1 . 1012 . . 614 ILE N . 26517 1 1180 . 1 1 100 100 PRO HA H 1 3.964 0.012 . 1 . 1027 . . 615 PRO HA . 26517 1 1181 . 1 1 100 100 PRO HB2 H 1 2.210 0.005 . 1 . 1029 . . 615 PRO HB2 . 26517 1 1182 . 1 1 100 100 PRO HB3 H 1 2.210 0.005 . 1 . 1156 . . 615 PRO HB3 . 26517 1 1183 . 1 1 100 100 PRO HG2 H 1 2.024 0.012 . 2 . 1031 . . 615 PRO HG2 . 26517 1 1184 . 1 1 100 100 PRO HG3 H 1 1.776 0.016 . 2 . 1032 . . 615 PRO HG3 . 26517 1 1185 . 1 1 100 100 PRO HD2 H 1 3.571 0.007 . 2 . 1033 . . 615 PRO HD2 . 26517 1 1186 . 1 1 100 100 PRO HD3 H 1 3.409 0.007 . 2 . 1034 . . 615 PRO HD3 . 26517 1 1187 . 1 1 100 100 PRO CA C 13 66.632 0.047 . 1 . 1026 . . 615 PRO CA . 26517 1 1188 . 1 1 100 100 PRO CB C 13 30.813 0.013 . 1 . 1028 . . 615 PRO CB . 26517 1 1189 . 1 1 100 100 PRO CG C 13 28.245 0.126 . 1 . 1030 . . 615 PRO CG . 26517 1 1190 . 1 1 100 100 PRO CD C 13 49.651 0.029 . 1 . 1025 . . 615 PRO CD . 26517 1 1191 . 1 1 101 101 SER H H 1 7.924 0.006 . 1 . 1036 . . 616 SER H . 26517 1 1192 . 1 1 101 101 SER HA H 1 4.092 0.001 . 1 . 1038 . . 616 SER HA . 26517 1 1193 . 1 1 101 101 SER HB2 H 1 3.864 0.001 . 2 . 1040 . . 616 SER HB2 . 26517 1 1194 . 1 1 101 101 SER HB3 H 1 3.799 0.020 . 2 . 1041 . . 616 SER HB3 . 26517 1 1195 . 1 1 101 101 SER CA C 13 60.818 0.083 . 1 . 1037 . . 616 SER CA . 26517 1 1196 . 1 1 101 101 SER CB C 13 62.587 0.039 . 1 . 1039 . . 616 SER CB . 26517 1 1197 . 1 1 101 101 SER N N 15 111.176 0.025 . 1 . 1035 . . 616 SER N . 26517 1 1198 . 1 1 102 102 ARG H H 1 7.556 0.014 . 1 . 1043 . . 617 ARG H . 26517 1 1199 . 1 1 102 102 ARG HA H 1 3.915 0.020 . 1 . 1045 . . 617 ARG HA . 26517 1 1200 . 1 1 102 102 ARG HB2 H 1 1.639 0.005 . 1 . 1047 . . 617 ARG HB2 . 26517 1 1201 . 1 1 102 102 ARG HB3 H 1 1.639 0.005 . 1 . 1157 . . 617 ARG HB3 . 26517 1 1202 . 1 1 102 102 ARG HG2 H 1 1.450 0.005 . 1 . 1049 . . 617 ARG HG2 . 26517 1 1203 . 1 1 102 102 ARG HG3 H 1 1.450 0.005 . 1 . 1158 . . 617 ARG HG3 . 26517 1 1204 . 1 1 102 102 ARG HD2 H 1 2.883 0.003 . 2 . 1051 . . 617 ARG HD2 . 26517 1 1205 . 1 1 102 102 ARG HD3 H 1 2.729 0.002 . 2 . 1052 . . 617 ARG HD3 . 26517 1 1206 . 1 1 102 102 ARG CA C 13 57.965 0.033 . 1 . 1044 . . 617 ARG CA . 26517 1 1207 . 1 1 102 102 ARG CB C 13 29.055 0.200 . 1 . 1046 . . 617 ARG CB . 26517 1 1208 . 1 1 102 102 ARG CG C 13 27.790 0.101 . 1 . 1048 . . 617 ARG CG . 26517 1 1209 . 1 1 102 102 ARG CD C 13 41.699 0.120 . 1 . 1050 . . 617 ARG CD . 26517 1 1210 . 1 1 102 102 ARG N N 15 123.814 0.053 . 1 . 1042 . . 617 ARG N . 26517 1 1211 . 1 1 103 103 ILE H H 1 7.940 0.013 . 1 . 1054 . . 618 ILE H . 26517 1 1212 . 1 1 103 103 ILE HA H 1 3.599 0.013 . 1 . 1056 . . 618 ILE HA . 26517 1 1213 . 1 1 103 103 ILE HB H 1 1.788 0.007 . 1 . 1058 . . 618 ILE HB . 26517 1 1214 . 1 1 103 103 ILE HG12 H 1 1.461 0.009 . 2 . 1062 . . 618 ILE HG12 . 26517 1 1215 . 1 1 103 103 ILE HG13 H 1 1.121 0.007 . 2 . 1063 . . 618 ILE HG13 . 26517 1 1216 . 1 1 103 103 ILE HG21 H 1 0.816 0.008 . 1 . 1059 . . 618 ILE HG21 . 26517 1 1217 . 1 1 103 103 ILE HG22 H 1 0.816 0.008 . 1 . 1059 . . 618 ILE HG22 . 26517 1 1218 . 1 1 103 103 ILE HG23 H 1 0.816 0.008 . 1 . 1059 . . 618 ILE HG23 . 26517 1 1219 . 1 1 103 103 ILE HD11 H 1 0.520 0.003 . 1 . 1064 . . 618 ILE HD11 . 26517 1 1220 . 1 1 103 103 ILE HD12 H 1 0.520 0.003 . 1 . 1064 . . 618 ILE HD12 . 26517 1 1221 . 1 1 103 103 ILE HD13 H 1 0.520 0.003 . 1 . 1064 . . 618 ILE HD13 . 26517 1 1222 . 1 1 103 103 ILE CA C 13 65.310 0.028 . 1 . 1055 . . 618 ILE CA . 26517 1 1223 . 1 1 103 103 ILE CB C 13 37.451 0.056 . 1 . 1057 . . 618 ILE CB . 26517 1 1224 . 1 1 103 103 ILE CG1 C 13 29.000 0.091 . 1 . 1061 . . 618 ILE CG1 . 26517 1 1225 . 1 1 103 103 ILE CG2 C 13 17.598 0.019 . 1 . 1060 . . 618 ILE CG2 . 26517 1 1226 . 1 1 103 103 ILE CD1 C 13 13.620 0.024 . 1 . 1065 . . 618 ILE CD1 . 26517 1 1227 . 1 1 103 103 ILE N N 15 117.752 0.049 . 1 . 1053 . . 618 ILE N . 26517 1 1228 . 1 1 104 104 GLN H H 1 7.699 0.002 . 1 . 1067 . . 619 GLN H . 26517 1 1229 . 1 1 104 104 GLN HA H 1 3.955 0.001 . 1 . 1069 . . 619 GLN HA . 26517 1 1230 . 1 1 104 104 GLN HB2 H 1 2.033 0.003 . 1 . 1071 . . 619 GLN HB2 . 26517 1 1231 . 1 1 104 104 GLN HB3 H 1 2.033 0.003 . 1 . 1159 . . 619 GLN HB3 . 26517 1 1232 . 1 1 104 104 GLN HG2 H 1 2.356 0.020 . 1 . 1073 . . 619 GLN HG2 . 26517 1 1233 . 1 1 104 104 GLN HG3 H 1 2.356 0.020 . 1 . 1160 . . 619 GLN HG3 . 26517 1 1234 . 1 1 104 104 GLN HE21 H 1 6.811 0.003 . 1 . 1075 . . 619 GLN HE21 . 26517 1 1235 . 1 1 104 104 GLN HE22 H 1 7.451 0.020 . 1 . 1076 . . 619 GLN HE22 . 26517 1 1236 . 1 1 104 104 GLN CA C 13 58.252 0.006 . 1 . 1068 . . 619 GLN CA . 26517 1 1237 . 1 1 104 104 GLN CB C 13 28.178 0.007 . 1 . 1070 . . 619 GLN CB . 26517 1 1238 . 1 1 104 104 GLN CG C 13 33.735 0.061 . 1 . 1072 . . 619 GLN CG . 26517 1 1239 . 1 1 104 104 GLN N N 15 118.638 0.017 . 1 . 1066 . . 619 GLN N . 26517 1 1240 . 1 1 104 104 GLN NE2 N 15 112.128 0.115 . 1 . 1074 . . 619 GLN NE2 . 26517 1 1241 . 1 1 105 105 ALA H H 1 7.337 0.005 . 1 . 1078 . . 620 ALA H . 26517 1 1242 . 1 1 105 105 ALA HA H 1 4.163 0.020 . 1 . 1080 . . 620 ALA HA . 26517 1 1243 . 1 1 105 105 ALA HB1 H 1 1.124 0.020 . 1 . 1081 . . 620 ALA HB1 . 26517 1 1244 . 1 1 105 105 ALA HB2 H 1 1.124 0.020 . 1 . 1081 . . 620 ALA HB2 . 26517 1 1245 . 1 1 105 105 ALA HB3 H 1 1.124 0.020 . 1 . 1081 . . 620 ALA HB3 . 26517 1 1246 . 1 1 105 105 ALA CA C 13 53.710 0.017 . 1 . 1079 . . 620 ALA CA . 26517 1 1247 . 1 1 105 105 ALA CB C 13 18.354 0.069 . 1 . 1082 . . 620 ALA CB . 26517 1 1248 . 1 1 105 105 ALA N N 15 120.611 0.071 . 1 . 1077 . . 620 ALA N . 26517 1 1249 . 1 1 106 106 ILE H H 1 7.360 0.026 . 1 . 1084 . . 621 ILE H . 26517 1 1250 . 1 1 106 106 ILE HA H 1 4.326 0.005 . 1 . 1086 . . 621 ILE HA . 26517 1 1251 . 1 1 106 106 ILE HB H 1 2.023 0.014 . 1 . 1088 . . 621 ILE HB . 26517 1 1252 . 1 1 106 106 ILE HG12 H 1 1.534 0.006 . 2 . 1092 . . 621 ILE HG12 . 26517 1 1253 . 1 1 106 106 ILE HG13 H 1 1.250 0.015 . 2 . 1093 . . 621 ILE HG13 . 26517 1 1254 . 1 1 106 106 ILE HG21 H 1 0.840 0.013 . 1 . 1089 . . 621 ILE HG21 . 26517 1 1255 . 1 1 106 106 ILE HG22 H 1 0.840 0.013 . 1 . 1089 . . 621 ILE HG22 . 26517 1 1256 . 1 1 106 106 ILE HG23 H 1 0.840 0.013 . 1 . 1089 . . 621 ILE HG23 . 26517 1 1257 . 1 1 106 106 ILE HD11 H 1 0.693 0.006 . 1 . 1094 . . 621 ILE HD11 . 26517 1 1258 . 1 1 106 106 ILE HD12 H 1 0.693 0.006 . 1 . 1094 . . 621 ILE HD12 . 26517 1 1259 . 1 1 106 106 ILE HD13 H 1 0.693 0.006 . 1 . 1094 . . 621 ILE HD13 . 26517 1 1260 . 1 1 106 106 ILE CA C 13 61.900 0.070 . 1 . 1085 . . 621 ILE CA . 26517 1 1261 . 1 1 106 106 ILE CB C 13 38.334 0.029 . 1 . 1087 . . 621 ILE CB . 26517 1 1262 . 1 1 106 106 ILE CG1 C 13 26.786 0.044 . 1 . 1091 . . 621 ILE CG1 . 26517 1 1263 . 1 1 106 106 ILE CG2 C 13 17.626 0.002 . 1 . 1090 . . 621 ILE CG2 . 26517 1 1264 . 1 1 106 106 ILE CD1 C 13 14.152 0.021 . 1 . 1095 . . 621 ILE CD1 . 26517 1 1265 . 1 1 106 106 ILE N N 15 113.575 0.036 . 1 . 1083 . . 621 ILE N . 26517 1 1266 . 1 1 107 107 THR H H 1 7.967 0.007 . 1 . 1097 . . 622 THR H . 26517 1 1267 . 1 1 107 107 THR HA H 1 4.316 0.005 . 1 . 1099 . . 622 THR HA . 26517 1 1268 . 1 1 107 107 THR HB H 1 4.297 0.020 . 1 . 1101 . . 622 THR HB . 26517 1 1269 . 1 1 107 107 THR HG21 H 1 1.241 0.009 . 1 . 1102 . . 622 THR HG21 . 26517 1 1270 . 1 1 107 107 THR HG22 H 1 1.241 0.009 . 1 . 1102 . . 622 THR HG22 . 26517 1 1271 . 1 1 107 107 THR HG23 H 1 1.241 0.009 . 1 . 1102 . . 622 THR HG23 . 26517 1 1272 . 1 1 107 107 THR CA C 13 63.183 0.022 . 1 . 1098 . . 622 THR CA . 26517 1 1273 . 1 1 107 107 THR CB C 13 70.050 0.023 . 1 . 1100 . . 622 THR CB . 26517 1 1274 . 1 1 107 107 THR CG2 C 13 21.229 0.200 . 1 . 1103 . . 622 THR CG2 . 26517 1 1275 . 1 1 107 107 THR N N 15 118.645 0.062 . 1 . 1096 . . 622 THR N . 26517 1 1276 . 1 1 108 108 GLY H H 1 8.467 0.004 . 1 . 1105 . . 623 GLY H . 26517 1 1277 . 1 1 108 108 GLY HA2 H 1 4.109 0.007 . 2 . 1107 . . 623 GLY HA2 . 26517 1 1278 . 1 1 108 108 GLY HA3 H 1 4.023 0.003 . 2 . 1108 . . 623 GLY HA3 . 26517 1 1279 . 1 1 108 108 GLY CA C 13 45.270 0.047 . 1 . 1106 . . 623 GLY CA . 26517 1 1280 . 1 1 108 108 GLY N N 15 111.958 0.017 . 1 . 1104 . . 623 GLY N . 26517 1 1281 . 1 1 109 109 SER H H 1 8.017 0.008 . 1 . 1110 . . 624 SER H . 26517 1 1282 . 1 1 109 109 SER HA H 1 4.317 0.020 . 1 . 1112 . . 624 SER HA . 26517 1 1283 . 1 1 109 109 SER HB2 H 1 3.902 0.005 . 1 . 1114 . . 624 SER HB2 . 26517 1 1284 . 1 1 109 109 SER HB3 H 1 3.902 0.005 . 1 . 1161 . . 624 SER HB3 . 26517 1 1285 . 1 1 109 109 SER CA C 13 60.073 0.200 . 1 . 1111 . . 624 SER CA . 26517 1 1286 . 1 1 109 109 SER CB C 13 64.847 0.001 . 1 . 1113 . . 624 SER CB . 26517 1 1287 . 1 1 109 109 SER N N 15 121.257 0.007 . 1 . 1109 . . 624 SER N . 26517 1 stop_ save_