data_17368 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17368 _Entry.Title ; Fyn SH2 free form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-20 _Entry.Accession_date 2010-12-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; His tag 1-12 The SH2 domain from human p59fyn (residues149-248) corresponding to residues 13-112 in the construct. ; _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 Radu Huculeci . I. . 17368 2 Lieven Buts . . . 17368 3 Tom Lenaerts . . . 17368 4 Nico 'van Nuland' . A.J. . 17368 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17368 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . MoRe . 17368 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Fyn . 17368 'SH2 domain' . 17368 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17368 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 480 17368 '15N chemical shifts' 113 17368 '1H chemical shifts' 739 17368 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-12 2010-12-20 update BMRB 'update entry citation' 17368 1 . . 2011-02-09 2010-12-20 original author 'original release' 17368 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17369 'MS2 (bound form)' 17368 PDB 1AOT . 17368 PDB 1G83 . 17368 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17368 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21298565 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N backbone and side-chain chemical shift assignment of the Fyn SH2 domain and its complex with a phosphotyrosine peptide.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _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 181 _Citation.Page_last 184 _Citation.Year 2011 _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 Radu Huculeci . . . 17368 1 2 Lieven Buts . . . 17368 1 3 Tom Lenaerts . . . 17368 1 4 Nico 'van Nuland' . A.J. . 17368 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Fyn 17368 1 'Macromolecular Complex' 17368 1 NMR 17368 1 'SH2 domain' 17368 1 'Src kinase' 17368 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17368 _Assembly.ID 1 _Assembly.Name MS2 _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 13248.1101 _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 'FynSH2free correct' 1 $FynSH2free_correct A . yes native no no . . . 17368 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FynSH2free_correct _Entity.Sf_category entity _Entity.Sf_framecode FynSH2free_correct _Entity.Entry_ID 17368 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FynSH2free_correct _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 ; NHKVHHHHHHMEWYFGKLGR KDAERQLLSFGNPRGTFLIR ESETTKGAYSLSIRDWDDMK GDHVKHYKIRKLDNGGYYIT TRAQFETLQQLVQHYSERAA GLCCRLVVPCHK ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13248.1101 _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 no BMRB 17369 . FynSH2_correct . . . . . 100.00 112 100.00 100.00 1.62e-77 . . . . 17368 1 2 no BMRB 25081 . FynSH2_bound . . . . . 91.96 112 100.00 100.00 1.13e-70 . . . . 17368 1 3 no PDB 1AOT . "Nmr Structure Of The Fyn Sh2 Domain Complexed With A Phosphotyrosyl Peptide, Minimized Average Structure" . . . . . 90.18 106 97.03 97.03 2.19e-66 . . . . 17368 1 4 no PDB 1AOU . "Nmr Structure Of The Fyn Sh2 Domain Complexed With A Phosphotyrosyl Peptide, 22 Structures" . . . . . 90.18 106 97.03 97.03 2.19e-66 . . . . 17368 1 5 no PDB 1G83 . "Crystal Structure Of Fyn Sh3-Sh2" . . . . . 88.39 165 96.97 96.97 4.27e-64 . . . . 17368 1 6 no PDB 2MQI . "Human Fyn Sh2 Free State" . . . . . 89.29 100 100.00 100.00 6.12e-68 . . . . 17368 1 7 no PDB 2MRJ . "Structure Of Fyn Protein Sh2 Bound" . . . . . 89.29 100 100.00 100.00 6.12e-68 . . . . 17368 1 8 no PDB 2MRK . "Fyn Sh2 Domain In Complex With The Natural Inhibitory Phosphotyrosine Peptide" . . . . . 89.29 100 100.00 100.00 6.12e-68 . . . . 17368 1 9 no PDB 4U17 . "Swapped Dimer Of The Human Fyn-sh2 Domain" . . . . . 91.96 105 100.00 100.00 1.38e-70 . . . . 17368 1 10 no DBJ BAE33766 . "unnamed protein product [Mus musculus]" . . . . . 90.18 537 100.00 100.00 6.66e-65 . . . . 17368 1 11 no DBJ BAG70107 . "protein-tyrosine kinase fyn isoform a [Homo sapiens]" . . . . . 90.18 537 100.00 100.00 5.99e-65 . . . . 17368 1 12 no DBJ BAG70240 . "protein-tyrosine kinase fyn isoform a [Homo sapiens]" . . . . . 90.18 537 100.00 100.00 5.99e-65 . . . . 17368 1 13 no DBJ BAI46902 . "FYN oncogene related to SRC, FGR, YES [synthetic construct]" . . . . . 90.18 537 100.00 100.00 5.99e-65 . . . . 17368 1 14 no EMBL CAA36435 . "fyn [Xenopus laevis]" . . . . . 90.18 537 99.01 100.00 1.96e-64 . . . . 17368 1 15 no GB AAA36615 . "src-like tyrosine kinase (put.); putative [Homo sapiens]" . . . . . 90.18 537 99.01 100.00 1.86e-64 . . . . 17368 1 16 no GB AAA49719 . "c-fyn protein [Xenopus laevis]" . . . . . 90.18 537 99.01 100.00 1.96e-64 . . . . 17368 1 17 no GB AAA82942 . "proto-oncogene FYN [Rattus norvegicus]" . . . . . 90.18 537 100.00 100.00 6.80e-65 . . . . 17368 1 18 no GB AAC08285 . "c-syn protooncogene [Homo sapiens]" . . . . . 90.18 537 100.00 100.00 5.99e-65 . . . . 17368 1 19 no GB AAH32496 . "FYN oncogene related to SRC, FGR, YES [Homo sapiens]" . . . . . 75.89 482 100.00 100.00 1.45e-51 . . . . 17368 1 20 no REF NP_001071440 . "tyrosine-protein kinase Fyn [Bos taurus]" . . . . . 90.18 537 100.00 100.00 7.56e-65 . . . . 17368 1 21 no REF NP_001073675 . "tyrosine-protein kinase Fyn [Sus scrofa]" . . . . . 90.18 537 100.00 100.00 6.59e-65 . . . . 17368 1 22 no REF NP_001079077 . "tyrosine-protein kinase Fyn [Xenopus laevis]" . . . . . 90.18 537 99.01 100.00 1.96e-64 . . . . 17368 1 23 no REF NP_001080120 . "proto-oncogene tyrosine-protein kinase fyn [Xenopus laevis]" . . . . . 90.18 537 98.02 99.01 8.57e-64 . . . . 17368 1 24 no REF NP_001116365 . "tyrosine-protein kinase Fyn isoform a [Mus musculus]" . . . . . 90.18 537 100.00 100.00 6.66e-65 . . . . 17368 1 25 no SP A0JNB0 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" . . . . . 90.18 537 100.00 100.00 7.56e-65 . . . . 17368 1 26 no SP A1Y2K1 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" . . . . . 90.18 537 100.00 100.00 6.59e-65 . . . . 17368 1 27 no SP P06241 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene Syn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=" . . . . . 90.18 537 100.00 100.00 5.99e-65 . . . . 17368 1 28 no SP P13406 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" . . . . . 90.18 537 99.01 100.00 1.96e-64 . . . . 17368 1 29 no SP P39688 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" . . . . . 90.18 537 100.00 100.00 6.66e-65 . . . . 17368 1 30 no TPG DAA26259 . "TPA: proto-oncogene tyrosine-protein kinase Fyn [Bos taurus]" . . . . . 90.18 537 100.00 100.00 7.56e-65 . . . . 17368 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 . ASN . 17368 1 2 . HIS . 17368 1 3 . LYS . 17368 1 4 . VAL . 17368 1 5 . HIS . 17368 1 6 . HIS . 17368 1 7 . HIS . 17368 1 8 . HIS . 17368 1 9 . HIS . 17368 1 10 . HIS . 17368 1 11 . MET . 17368 1 12 . GLU . 17368 1 13 . TRP . 17368 1 14 . TYR . 17368 1 15 . PHE . 17368 1 16 . GLY . 17368 1 17 . LYS . 17368 1 18 . LEU . 17368 1 19 . GLY . 17368 1 20 . ARG . 17368 1 21 . LYS . 17368 1 22 . ASP . 17368 1 23 . ALA . 17368 1 24 . GLU . 17368 1 25 . ARG . 17368 1 26 . GLN . 17368 1 27 . LEU . 17368 1 28 . LEU . 17368 1 29 . SER . 17368 1 30 . PHE . 17368 1 31 . GLY . 17368 1 32 . ASN . 17368 1 33 . PRO . 17368 1 34 . ARG . 17368 1 35 . GLY . 17368 1 36 . THR . 17368 1 37 . PHE . 17368 1 38 . LEU . 17368 1 39 . ILE . 17368 1 40 . ARG . 17368 1 41 . GLU . 17368 1 42 . SER . 17368 1 43 . GLU . 17368 1 44 . THR . 17368 1 45 . THR . 17368 1 46 . LYS . 17368 1 47 . GLY . 17368 1 48 . ALA . 17368 1 49 . TYR . 17368 1 50 . SER . 17368 1 51 . LEU . 17368 1 52 . SER . 17368 1 53 . ILE . 17368 1 54 . ARG . 17368 1 55 . ASP . 17368 1 56 . TRP . 17368 1 57 . ASP . 17368 1 58 . ASP . 17368 1 59 . MET . 17368 1 60 . LYS . 17368 1 61 . GLY . 17368 1 62 . ASP . 17368 1 63 . HIS . 17368 1 64 . VAL . 17368 1 65 . LYS . 17368 1 66 . HIS . 17368 1 67 . TYR . 17368 1 68 . LYS . 17368 1 69 . ILE . 17368 1 70 . ARG . 17368 1 71 . LYS . 17368 1 72 . LEU . 17368 1 73 . ASP . 17368 1 74 . ASN . 17368 1 75 . GLY . 17368 1 76 . GLY . 17368 1 77 . TYR . 17368 1 78 . TYR . 17368 1 79 . ILE . 17368 1 80 . THR . 17368 1 81 . THR . 17368 1 82 . ARG . 17368 1 83 . ALA . 17368 1 84 . GLN . 17368 1 85 . PHE . 17368 1 86 . GLU . 17368 1 87 . THR . 17368 1 88 . LEU . 17368 1 89 . GLN . 17368 1 90 . GLN . 17368 1 91 . LEU . 17368 1 92 . VAL . 17368 1 93 . GLN . 17368 1 94 . HIS . 17368 1 95 . TYR . 17368 1 96 . SER . 17368 1 97 . GLU . 17368 1 98 . ARG . 17368 1 99 . ALA . 17368 1 100 . ALA . 17368 1 101 . GLY . 17368 1 102 . LEU . 17368 1 103 . CYS . 17368 1 104 . CYS . 17368 1 105 . ARG . 17368 1 106 . LEU . 17368 1 107 . VAL . 17368 1 108 . VAL . 17368 1 109 . PRO . 17368 1 110 . CYS . 17368 1 111 . HIS . 17368 1 112 . LYS . 17368 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 . ASN 1 1 17368 1 . HIS 2 2 17368 1 . LYS 3 3 17368 1 . VAL 4 4 17368 1 . HIS 5 5 17368 1 . HIS 6 6 17368 1 . HIS 7 7 17368 1 . HIS 8 8 17368 1 . HIS 9 9 17368 1 . HIS 10 10 17368 1 . MET 11 11 17368 1 . GLU 12 12 17368 1 . TRP 13 13 17368 1 . TYR 14 14 17368 1 . PHE 15 15 17368 1 . GLY 16 16 17368 1 . LYS 17 17 17368 1 . LEU 18 18 17368 1 . GLY 19 19 17368 1 . ARG 20 20 17368 1 . LYS 21 21 17368 1 . ASP 22 22 17368 1 . ALA 23 23 17368 1 . GLU 24 24 17368 1 . ARG 25 25 17368 1 . GLN 26 26 17368 1 . LEU 27 27 17368 1 . LEU 28 28 17368 1 . SER 29 29 17368 1 . PHE 30 30 17368 1 . GLY 31 31 17368 1 . ASN 32 32 17368 1 . PRO 33 33 17368 1 . ARG 34 34 17368 1 . GLY 35 35 17368 1 . THR 36 36 17368 1 . PHE 37 37 17368 1 . LEU 38 38 17368 1 . ILE 39 39 17368 1 . ARG 40 40 17368 1 . GLU 41 41 17368 1 . SER 42 42 17368 1 . GLU 43 43 17368 1 . THR 44 44 17368 1 . THR 45 45 17368 1 . LYS 46 46 17368 1 . GLY 47 47 17368 1 . ALA 48 48 17368 1 . TYR 49 49 17368 1 . SER 50 50 17368 1 . LEU 51 51 17368 1 . SER 52 52 17368 1 . ILE 53 53 17368 1 . ARG 54 54 17368 1 . ASP 55 55 17368 1 . TRP 56 56 17368 1 . ASP 57 57 17368 1 . ASP 58 58 17368 1 . MET 59 59 17368 1 . LYS 60 60 17368 1 . GLY 61 61 17368 1 . ASP 62 62 17368 1 . HIS 63 63 17368 1 . VAL 64 64 17368 1 . LYS 65 65 17368 1 . HIS 66 66 17368 1 . TYR 67 67 17368 1 . LYS 68 68 17368 1 . ILE 69 69 17368 1 . ARG 70 70 17368 1 . LYS 71 71 17368 1 . LEU 72 72 17368 1 . ASP 73 73 17368 1 . ASN 74 74 17368 1 . GLY 75 75 17368 1 . GLY 76 76 17368 1 . TYR 77 77 17368 1 . TYR 78 78 17368 1 . ILE 79 79 17368 1 . THR 80 80 17368 1 . THR 81 81 17368 1 . ARG 82 82 17368 1 . ALA 83 83 17368 1 . GLN 84 84 17368 1 . PHE 85 85 17368 1 . GLU 86 86 17368 1 . THR 87 87 17368 1 . LEU 88 88 17368 1 . GLN 89 89 17368 1 . GLN 90 90 17368 1 . LEU 91 91 17368 1 . VAL 92 92 17368 1 . GLN 93 93 17368 1 . HIS 94 94 17368 1 . TYR 95 95 17368 1 . SER 96 96 17368 1 . GLU 97 97 17368 1 . ARG 98 98 17368 1 . ALA 99 99 17368 1 . ALA 100 100 17368 1 . GLY 101 101 17368 1 . LEU 102 102 17368 1 . CYS 103 103 17368 1 . CYS 104 104 17368 1 . ARG 105 105 17368 1 . LEU 106 106 17368 1 . VAL 107 107 17368 1 . VAL 108 108 17368 1 . PRO 109 109 17368 1 . CYS 110 110 17368 1 . HIS 111 111 17368 1 . LYS 112 112 17368 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 17368 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FynSH2free_correct . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17368 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 17368 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FynSH2free_correct . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE) . . . . . . . . . . . . . . . pColdII . . . . . . 17368 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17368 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 FynSH2free_correct '[U-98% 13C; U-98% 15N]' . . 1 $FynSH2free_correct . . 0.8 . . mM . . . . 17368 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_1 _Sample_condition_list.Entry_ID 17368 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.050 . M 17368 1 pH 6.500 . pH 17368 1 pressure 1.000 . atm 17368 1 temperature 298.150 . K 17368 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 17368 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.1 _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 17368 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 17368 1 stop_ save_ save_DANGLE _Software.Sf_category software _Software.Sf_framecode DANGLE _Software.Entry_ID 17368 _Software.ID 2 _Software.Name DANGLE _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17368 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Secondary Structure Prediction' 17368 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17368 _Software.ID 3 _Software.Name NMRPipe _Software.Version 1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Delaglio . . 17368 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 17368 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 17368 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Varian NMR Systems' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz _NMR_spectrometer.Entry_ID 17368 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Varian NMR Systems' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17368 _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 600MHz Varian 'Varian NMR Systems' . 600 . . . 17368 1 2 800MHz Varian 'Varian NMR Systems' . 800 . . . 17368 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 17368 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 17368 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 17368 1 3 'CBCAcoNH ({CA|Cca}coNH)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 17368 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 17368 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 17368 1 6 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 17368 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 17368 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 17368 1 9 'CBcgcdceHE (hbCBcgcdceHE)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 17368 1 10 'CBcgcdHD (hbCBcgcdHD)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 17368 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 17368 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 17368 1 13 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 17368 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 2 $800MHz . . . . . . . . . . . . . . . . 17368 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 17368 _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 . indirect 0.251449530 . . . . . . . . . 17368 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17368 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17368 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 17368 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' 1 $sample_1 isotropic 17368 1 2 '3D HNCO' 1 $sample_1 isotropic 17368 1 3 'CBCAcoNH ({CA|Cca}coNH)' 1 $sample_1 isotropic 17368 1 4 '3D HNCACB' 1 $sample_1 isotropic 17368 1 5 '3D HBHA(CO)NH' 1 $sample_1 isotropic 17368 1 6 '2D 1H-13C HSQC/HMQC' 1 $sample_1 isotropic 17368 1 7 '3D C(CO)NH' 1 $sample_1 isotropic 17368 1 8 '3D HCCH-TOCSY' 1 $sample_1 isotropic 17368 1 9 'CBcgcdceHE (hbCBcgcdceHE)' 1 $sample_1 isotropic 17368 1 10 'CBcgcdHD (hbCBcgcdHD)' 1 $sample_1 isotropic 17368 1 11 '3D 1H-15N NOESY' 1 $sample_1 isotropic 17368 1 12 '2D 1H-1H NOESY' 1 $sample_1 isotropic 17368 1 13 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 17368 1 14 '3D 1H-13C NOESY' 1 $sample_1 isotropic 17368 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 ASN HD21 H 1 6.935 0.005 . 1 . 1153 . . 1 ASN HD21 . 17368 1 2 . 1 1 1 1 ASN HD22 H 1 7.654 0.005 . 1 . 1151 . . 1 ASN HD22 . 17368 1 3 . 1 1 1 1 ASN ND2 N 15 113.061 0.01 . 1 . 1152 . . 1 ASN ND2 . 17368 1 4 . 1 1 3 3 LYS HA H 1 4.236 0.004 . 1 . 770 . . 3 LYS HA . 17368 1 5 . 1 1 3 3 LYS HB2 H 1 1.667 0.005 . 1 . 931 . . 3 LYS HB2 . 17368 1 6 . 1 1 3 3 LYS HB3 H 1 1.667 0.005 . 1 . 932 . . 3 LYS HB3 . 17368 1 7 . 1 1 3 3 LYS HG2 H 1 1.276 0.005 . 1 . 935 . . 3 LYS HG2 . 17368 1 8 . 1 1 3 3 LYS HG3 H 1 1.276 0.005 . 1 . 827 . . 3 LYS HG3 . 17368 1 9 . 1 1 3 3 LYS HD2 H 1 1.635 0.005 . 1 . 933 . . 3 LYS HD2 . 17368 1 10 . 1 1 3 3 LYS HD3 H 1 1.635 0.005 . 1 . 934 . . 3 LYS HD3 . 17368 1 11 . 1 1 3 3 LYS HE2 H 1 2.951 0.005 . 1 . 930 . . 3 LYS HE2 . 17368 1 12 . 1 1 3 3 LYS HE3 H 1 2.940 0.011 . 1 . 811 . . 3 LYS HE3 . 17368 1 13 . 1 1 3 3 LYS C C 13 176.135 0.05 . 1 . 414 . . 3 LYS C . 17368 1 14 . 1 1 3 3 LYS CA C 13 56.332 0.017 . 1 . 413 . . 3 LYS CA . 17368 1 15 . 1 1 3 3 LYS CB C 13 32.946 0.015 . 1 . 769 . . 3 LYS CB . 17368 1 16 . 1 1 3 3 LYS CG C 13 24.584 0.046 . 1 . 774 . . 3 LYS CG . 17368 1 17 . 1 1 3 3 LYS CD C 13 28.992 0.072 . 1 . 773 . . 3 LYS CD . 17368 1 18 . 1 1 3 3 LYS CE C 13 42.067 0.01 . 1 . 772 . . 3 LYS CE . 17368 1 19 . 1 1 4 4 VAL H H 1 8.080 0.006 . 1 . 193 . . 4 VAL H . 17368 1 20 . 1 1 4 4 VAL HA H 1 3.967 0.003 . 1 . 344 . . 4 VAL HA . 17368 1 21 . 1 1 4 4 VAL HB H 1 1.883 0.005 . 1 . 345 . . 4 VAL HB . 17368 1 22 . 1 1 4 4 VAL HG11 H 1 0.815 0.004 . 2 . 812 . . 4 VAL HG11 . 17368 1 23 . 1 1 4 4 VAL HG12 H 1 0.815 0.004 . 2 . 812 . . 4 VAL HG12 . 17368 1 24 . 1 1 4 4 VAL HG13 H 1 0.815 0.004 . 2 . 812 . . 4 VAL HG13 . 17368 1 25 . 1 1 4 4 VAL HG21 H 1 0.715 0.005 . 2 . 813 . . 4 VAL HG21 . 17368 1 26 . 1 1 4 4 VAL HG22 H 1 0.715 0.005 . 2 . 813 . . 4 VAL HG22 . 17368 1 27 . 1 1 4 4 VAL HG23 H 1 0.715 0.005 . 2 . 813 . . 4 VAL HG23 . 17368 1 28 . 1 1 4 4 VAL C C 13 175.574 0.05 . 1 . 346 . . 4 VAL C . 17368 1 29 . 1 1 4 4 VAL CA C 13 62.076 0.055 . 1 . 342 . . 4 VAL CA . 17368 1 30 . 1 1 4 4 VAL CB C 13 32.833 0.055 . 1 . 347 . . 4 VAL CB . 17368 1 31 . 1 1 4 4 VAL CG1 C 13 20.129 0.05 . 2 . 814 . . 4 VAL CG1 . 17368 1 32 . 1 1 4 4 VAL CG2 C 13 20.774 0.055 . 2 . 775 . . 4 VAL CG2 . 17368 1 33 . 1 1 4 4 VAL N N 15 121.490 0.039 . 1 . 194 . . 4 VAL N . 17368 1 34 . 1 1 5 5 HIS H H 1 8.381 0.005 . 1 . 217 . . 5 HIS H . 17368 1 35 . 1 1 5 5 HIS HA H 1 4.608 0.005 . 1 . 797 . . 5 HIS HA . 17368 1 36 . 1 1 5 5 HIS HB2 H 1 3.062 0.005 . 2 . 751 . . 5 HIS HB2 . 17368 1 37 . 1 1 5 5 HIS HB3 H 1 3.124 0.005 . 2 . 750 . . 5 HIS HB3 . 17368 1 38 . 1 1 5 5 HIS HD2 H 1 7.049 0.005 . 1 . 1137 . . 5 HIS HD2 . 17368 1 39 . 1 1 5 5 HIS C C 13 174.955 0.05 . 1 . 748 . . 5 HIS C . 17368 1 40 . 1 1 5 5 HIS CA C 13 55.595 0.05 . 1 . 343 . . 5 HIS CA . 17368 1 41 . 1 1 5 5 HIS CB C 13 30.595 0.099 . 1 . 749 . . 5 HIS CB . 17368 1 42 . 1 1 5 5 HIS CD2 C 13 119.904 0.05 . 1 . 1138 . . 5 HIS CD2 . 17368 1 43 . 1 1 5 5 HIS N N 15 123.422 0.027 . 1 . 218 . . 5 HIS N . 17368 1 44 . 1 1 6 6 HIS H H 1 8.346 0.005 . 1 . 47 . . 6 HIS H . 17368 1 45 . 1 1 6 6 HIS CA C 13 55.364 0.05 . 1 . 757 . . 6 HIS CA . 17368 1 46 . 1 1 6 6 HIS CB C 13 33.018 0.05 . 1 . 756 . . 6 HIS CB . 17368 1 47 . 1 1 6 6 HIS N N 15 122.633 0.193 . 1 . 48 . . 6 HIS N . 17368 1 48 . 1 1 10 10 HIS HA H 1 4.539 0.005 . 1 . 501 . . 10 HIS HA . 17368 1 49 . 1 1 10 10 HIS HB2 H 1 2.924 0.005 . 2 . 500 . . 10 HIS HB2 . 17368 1 50 . 1 1 10 10 HIS HB3 H 1 3.083 0.005 . 2 . 499 . . 10 HIS HB3 . 17368 1 51 . 1 1 10 10 HIS HD2 H 1 6.880 0.005 . 1 . 1135 . . 10 HIS HD2 . 17368 1 52 . 1 1 10 10 HIS C C 13 175.226 0.05 . 1 . 502 . . 10 HIS C . 17368 1 53 . 1 1 10 10 HIS CA C 13 55.555 0.016 . 1 . 497 . . 10 HIS CA . 17368 1 54 . 1 1 10 10 HIS CB C 13 29.947 0.039 . 1 . 498 . . 10 HIS CB . 17368 1 55 . 1 1 10 10 HIS CD2 C 13 119.411 0.05 . 1 . 1136 . . 10 HIS CD2 . 17368 1 56 . 1 1 11 11 MET H H 1 7.554 0.008 . 1 . 187 . . 11 MET H . 17368 1 57 . 1 1 11 11 MET HA H 1 4.078 0.005 . 1 . 392 . . 11 MET HA . 17368 1 58 . 1 1 11 11 MET C C 13 178.302 0.05 . 1 . 391 . . 11 MET C . 17368 1 59 . 1 1 11 11 MET CA C 13 53.962 0.006 . 1 . 389 . . 11 MET CA . 17368 1 60 . 1 1 11 11 MET CB C 13 31.337 0.021 . 1 . 390 . . 11 MET CB . 17368 1 61 . 1 1 11 11 MET N N 15 119.415 0.019 . 1 . 188 . . 11 MET N . 17368 1 62 . 1 1 12 12 GLU H H 1 9.229 0.003 . 1 . 107 . . 12 GLU H . 17368 1 63 . 1 1 12 12 GLU HA H 1 3.895 0.005 . 1 . 709 . . 12 GLU HA . 17368 1 64 . 1 1 12 12 GLU HB2 H 1 1.940 0.005 . 1 . 936 . . 12 GLU HB2 . 17368 1 65 . 1 1 12 12 GLU HB3 H 1 1.940 0.005 . 1 . 710 . . 12 GLU HB3 . 17368 1 66 . 1 1 12 12 GLU HG2 H 1 2.272 0.005 . 1 . 937 . . 12 GLU HG2 . 17368 1 67 . 1 1 12 12 GLU HG3 H 1 2.271 0.005 . 1 . 815 . . 12 GLU HG3 . 17368 1 68 . 1 1 12 12 GLU C C 13 175.659 0.05 . 1 . 708 . . 12 GLU C . 17368 1 69 . 1 1 12 12 GLU CA C 13 59.110 0.006 . 1 . 706 . . 12 GLU CA . 17368 1 70 . 1 1 12 12 GLU CB C 13 29.334 0.029 . 1 . 707 . . 12 GLU CB . 17368 1 71 . 1 1 12 12 GLU CG C 13 36.268 0.017 . 1 . 776 . . 12 GLU CG . 17368 1 72 . 1 1 12 12 GLU N N 15 122.249 0.014 . 1 . 108 . . 12 GLU N . 17368 1 73 . 1 1 13 13 TRP H H 1 6.088 0.003 . 1 . 173 . . 13 TRP H . 17368 1 74 . 1 1 13 13 TRP HA H 1 4.626 0.005 . 1 . 374 . . 13 TRP HA . 17368 1 75 . 1 1 13 13 TRP HB2 H 1 3.684 0.005 . 2 . 375 . . 13 TRP HB2 . 17368 1 76 . 1 1 13 13 TRP HB3 H 1 2.698 0.005 . 2 . 376 . . 13 TRP HB3 . 17368 1 77 . 1 1 13 13 TRP HD1 H 1 7.485 0.001 . 1 . 1062 . . 13 TRP HD1 . 17368 1 78 . 1 1 13 13 TRP HE1 H 1 11.005 0.001 . 1 . 7 . . 13 TRP HE1 . 17368 1 79 . 1 1 13 13 TRP HE3 H 1 7.315 0.001 . 1 . 1069 . . 13 TRP HE3 . 17368 1 80 . 1 1 13 13 TRP HZ2 H 1 7.385 0.002 . 1 . 1063 . . 13 TRP HZ2 . 17368 1 81 . 1 1 13 13 TRP HZ3 H 1 6.685 0.002 . 1 . 1066 . . 13 TRP HZ3 . 17368 1 82 . 1 1 13 13 TRP HH2 H 1 6.797 0.002 . 1 . 1065 . . 13 TRP HH2 . 17368 1 83 . 1 1 13 13 TRP C C 13 175.162 0.05 . 1 . 373 . . 13 TRP C . 17368 1 84 . 1 1 13 13 TRP CA C 13 53.419 0.007 . 1 . 371 . . 13 TRP CA . 17368 1 85 . 1 1 13 13 TRP CB C 13 31.367 0.031 . 1 . 372 . . 13 TRP CB . 17368 1 86 . 1 1 13 13 TRP CD1 C 13 130.036 0.05 . 1 . 1108 . . 13 TRP CD1 . 17368 1 87 . 1 1 13 13 TRP CE3 C 13 122.182 0.05 . 1 . 1109 . . 13 TRP CE3 . 17368 1 88 . 1 1 13 13 TRP CZ2 C 13 114.860 0.05 . 1 . 1064 . . 13 TRP CZ2 . 17368 1 89 . 1 1 13 13 TRP CZ3 C 13 121.141 0.05 . 1 . 1068 . . 13 TRP CZ3 . 17368 1 90 . 1 1 13 13 TRP CH2 C 13 124.244 0.05 . 1 . 1067 . . 13 TRP CH2 . 17368 1 91 . 1 1 13 13 TRP N N 15 108.941 0.011 . 1 . 174 . . 13 TRP N . 17368 1 92 . 1 1 13 13 TRP NE1 N 15 133.261 0.05 . 1 . 8 . . 13 TRP NE1 . 17368 1 93 . 1 1 14 14 TYR H H 1 7.687 0.002 . 1 . 13 . . 14 TYR H . 17368 1 94 . 1 1 14 14 TYR HA H 1 5.231 0.005 . 1 . 248 . . 14 TYR HA . 17368 1 95 . 1 1 14 14 TYR HB2 H 1 2.495 0.005 . 2 . 249 . . 14 TYR HB2 . 17368 1 96 . 1 1 14 14 TYR HB3 H 1 2.902 0.005 . 2 . 250 . . 14 TYR HB3 . 17368 1 97 . 1 1 14 14 TYR HD1 H 1 6.997 0.005 . 3 . 1077 . . 14 TYR HD1 . 17368 1 98 . 1 1 14 14 TYR HD2 H 1 6.997 0.005 . 3 . 1077 . . 14 TYR HD2 . 17368 1 99 . 1 1 14 14 TYR HE1 H 1 6.778 0.005 . 3 . 1078 . . 14 TYR HE1 . 17368 1 100 . 1 1 14 14 TYR HE2 H 1 6.778 0.005 . 3 . 1078 . . 14 TYR HE2 . 17368 1 101 . 1 1 14 14 TYR C C 13 175.516 0.05 . 1 . 251 . . 14 TYR C . 17368 1 102 . 1 1 14 14 TYR CA C 13 58.908 0.024 . 1 . 246 . . 14 TYR CA . 17368 1 103 . 1 1 14 14 TYR CB C 13 38.686 0.046 . 1 . 247 . . 14 TYR CB . 17368 1 104 . 1 1 14 14 TYR CD1 C 13 133.404 0.05 . 3 . 1079 . . 14 TYR CD1 . 17368 1 105 . 1 1 14 14 TYR CD2 C 13 133.404 0.05 . 3 . 1079 . . 14 TYR CD2 . 17368 1 106 . 1 1 14 14 TYR CE1 C 13 118.365 0.05 . 3 . 1080 . . 14 TYR CE1 . 17368 1 107 . 1 1 14 14 TYR CE2 C 13 118.365 0.05 . 3 . 1080 . . 14 TYR CE2 . 17368 1 108 . 1 1 14 14 TYR N N 15 122.723 0.016 . 1 . 14 . . 14 TYR N . 17368 1 109 . 1 1 15 15 PHE H H 1 9.270 0.004 . 1 . 75 . . 15 PHE H . 17368 1 110 . 1 1 15 15 PHE HA H 1 4.411 0.005 . 1 . 731 . . 15 PHE HA . 17368 1 111 . 1 1 15 15 PHE HB2 H 1 2.631 0.005 . 2 . 733 . . 15 PHE HB2 . 17368 1 112 . 1 1 15 15 PHE HB3 H 1 3.238 0.005 . 2 . 732 . . 15 PHE HB3 . 17368 1 113 . 1 1 15 15 PHE HD1 H 1 7.292 0.001 . 3 . 1101 . . 15 PHE HD1 . 17368 1 114 . 1 1 15 15 PHE HD2 H 1 7.292 0.001 . 3 . 1101 . . 15 PHE HD2 . 17368 1 115 . 1 1 15 15 PHE HE1 H 1 7.296 0.003 . 3 . 1113 . . 15 PHE HE1 . 17368 1 116 . 1 1 15 15 PHE HE2 H 1 7.296 0.003 . 3 . 1113 . . 15 PHE HE2 . 17368 1 117 . 1 1 15 15 PHE HZ H 1 6.987 0.005 . 1 . 1115 . . 15 PHE HZ . 17368 1 118 . 1 1 15 15 PHE C C 13 175.523 0.05 . 1 . 730 . . 15 PHE C . 17368 1 119 . 1 1 15 15 PHE CA C 13 57.413 0.004 . 1 . 728 . . 15 PHE CA . 17368 1 120 . 1 1 15 15 PHE CB C 13 40.166 0.031 . 1 . 729 . . 15 PHE CB . 17368 1 121 . 1 1 15 15 PHE CD1 C 13 131.650 0.05 . 3 . 1102 . . 15 PHE CD1 . 17368 1 122 . 1 1 15 15 PHE CD2 C 13 131.650 0.05 . 3 . 1102 . . 15 PHE CD2 . 17368 1 123 . 1 1 15 15 PHE CE1 C 13 130.047 0.05 . 3 . 1114 . . 15 PHE CE1 . 17368 1 124 . 1 1 15 15 PHE CE2 C 13 130.047 0.05 . 3 . 1114 . . 15 PHE CE2 . 17368 1 125 . 1 1 15 15 PHE CZ C 13 131.130 0.05 . 1 . 1116 . . 15 PHE CZ . 17368 1 126 . 1 1 15 15 PHE N N 15 128.953 0.019 . 1 . 76 . . 15 PHE N . 17368 1 127 . 1 1 16 16 GLY H H 1 5.494 0.002 . 1 . 49 . . 16 GLY H . 17368 1 128 . 1 1 16 16 GLY HA2 H 1 3.581 0.005 . 2 . 277 . . 16 GLY HA2 . 17368 1 129 . 1 1 16 16 GLY HA3 H 1 3.821 0.005 . 2 . 276 . . 16 GLY HA3 . 17368 1 130 . 1 1 16 16 GLY C C 13 173.843 0.05 . 1 . 278 . . 16 GLY C . 17368 1 131 . 1 1 16 16 GLY CA C 13 47.419 0.012 . 1 . 275 . . 16 GLY CA . 17368 1 132 . 1 1 16 16 GLY N N 15 104.432 0.019 . 1 . 50 . . 16 GLY N . 17368 1 133 . 1 1 17 17 LYS H H 1 8.667 0.002 . 1 . 147 . . 17 LYS H . 17368 1 134 . 1 1 17 17 LYS HA H 1 4.252 0.008 . 1 . 242 . . 17 LYS HA . 17368 1 135 . 1 1 17 17 LYS HB2 H 1 1.867 0.004 . 2 . 243 . . 17 LYS HB2 . 17368 1 136 . 1 1 17 17 LYS HB3 H 1 1.678 0.005 . 2 . 244 . . 17 LYS HB3 . 17368 1 137 . 1 1 17 17 LYS HG2 H 1 1.287 0.001 . 2 . 942 . . 17 LYS HG2 . 17368 1 138 . 1 1 17 17 LYS HG3 H 1 1.414 0.005 . 2 . 943 . . 17 LYS HG3 . 17368 1 139 . 1 1 17 17 LYS HD2 H 1 1.685 0.005 . 1 . 940 . . 17 LYS HD2 . 17368 1 140 . 1 1 17 17 LYS HD3 H 1 1.685 0.005 . 1 . 941 . . 17 LYS HD3 . 17368 1 141 . 1 1 17 17 LYS HE2 H 1 3.035 0.005 . 1 . 938 . . 17 LYS HE2 . 17368 1 142 . 1 1 17 17 LYS HE3 H 1 3.035 0.005 . 1 . 939 . . 17 LYS HE3 . 17368 1 143 . 1 1 17 17 LYS C C 13 174.550 0.05 . 1 . 245 . . 17 LYS C . 17368 1 144 . 1 1 17 17 LYS CA C 13 56.979 0.055 . 1 . 240 . . 17 LYS CA . 17368 1 145 . 1 1 17 17 LYS CB C 13 31.207 0.022 . 1 . 241 . . 17 LYS CB . 17368 1 146 . 1 1 17 17 LYS CG C 13 24.903 0.05 . 1 . 779 . . 17 LYS CG . 17368 1 147 . 1 1 17 17 LYS CD C 13 29.491 0.076 . 1 . 778 . . 17 LYS CD . 17368 1 148 . 1 1 17 17 LYS CE C 13 42.272 0.052 . 1 . 777 . . 17 LYS CE . 17368 1 149 . 1 1 17 17 LYS N N 15 127.180 0.01 . 1 . 148 . . 17 LYS N . 17368 1 150 . 1 1 18 18 LEU H H 1 7.608 0.004 . 1 . 71 . . 18 LEU H . 17368 1 151 . 1 1 18 18 LEU HA H 1 4.409 0.003 . 1 . 677 . . 18 LEU HA . 17368 1 152 . 1 1 18 18 LEU HB2 H 1 1.500 0.005 . 1 . 944 . . 18 LEU HB2 . 17368 1 153 . 1 1 18 18 LEU HB3 H 1 1.500 0.005 . 1 . 829 . . 18 LEU HB3 . 17368 1 154 . 1 1 18 18 LEU HG H 1 1.752 0.004 . 1 . 949 . . 18 LEU HG . 17368 1 155 . 1 1 18 18 LEU HD11 H 1 0.697 0.005 . 2 . 948 . . 18 LEU HD11 . 17368 1 156 . 1 1 18 18 LEU HD12 H 1 0.697 0.005 . 2 . 948 . . 18 LEU HD12 . 17368 1 157 . 1 1 18 18 LEU HD13 H 1 0.697 0.005 . 2 . 948 . . 18 LEU HD13 . 17368 1 158 . 1 1 18 18 LEU HD21 H 1 1.044 0.003 . 2 . 947 . . 18 LEU HD21 . 17368 1 159 . 1 1 18 18 LEU HD22 H 1 1.044 0.003 . 2 . 947 . . 18 LEU HD22 . 17368 1 160 . 1 1 18 18 LEU HD23 H 1 1.044 0.003 . 2 . 947 . . 18 LEU HD23 . 17368 1 161 . 1 1 18 18 LEU C C 13 175.578 0.05 . 1 . 676 . . 18 LEU C . 17368 1 162 . 1 1 18 18 LEU CA C 13 54.804 0.072 . 1 . 675 . . 18 LEU CA . 17368 1 163 . 1 1 18 18 LEU CB C 13 44.670 0.022 . 1 . 768 . . 18 LEU CB . 17368 1 164 . 1 1 18 18 LEU CG C 13 26.318 0.05 . 1 . 950 . . 18 LEU CG . 17368 1 165 . 1 1 18 18 LEU CD1 C 13 27.294 0.043 . 2 . 945 . . 18 LEU CD1 . 17368 1 166 . 1 1 18 18 LEU CD2 C 13 24.178 0.063 . 2 . 946 . . 18 LEU CD2 . 17368 1 167 . 1 1 18 18 LEU N N 15 129.143 0.016 . 1 . 72 . . 18 LEU N . 17368 1 168 . 1 1 19 19 GLY H H 1 9.069 0.003 . 1 . 139 . . 19 GLY H . 17368 1 169 . 1 1 19 19 GLY HA2 H 1 3.932 0.005 . 2 . 395 . . 19 GLY HA2 . 17368 1 170 . 1 1 19 19 GLY HA3 H 1 3.989 0.005 . 2 . 394 . . 19 GLY HA3 . 17368 1 171 . 1 1 19 19 GLY C C 13 173.455 0.05 . 1 . 393 . . 19 GLY C . 17368 1 172 . 1 1 19 19 GLY CA C 13 44.914 0.019 . 1 . 767 . . 19 GLY CA . 17368 1 173 . 1 1 19 19 GLY N N 15 114.272 0.008 . 1 . 140 . . 19 GLY N . 17368 1 174 . 1 1 20 20 ARG H H 1 8.595 0.003 . 1 . 168 . . 20 ARG H . 17368 1 175 . 1 1 20 20 ARG HA H 1 3.414 0.008 . 1 . 568 . . 20 ARG HA . 17368 1 176 . 1 1 20 20 ARG HB2 H 1 1.812 0.005 . 2 . 569 . . 20 ARG HB2 . 17368 1 177 . 1 1 20 20 ARG HB3 H 1 1.586 0.005 . 2 . 570 . . 20 ARG HB3 . 17368 1 178 . 1 1 20 20 ARG HG2 H 1 1.033 0.005 . 2 . 825 . . 20 ARG HG2 . 17368 1 179 . 1 1 20 20 ARG HG3 H 1 0.502 0.003 . 2 . 824 . . 20 ARG HG3 . 17368 1 180 . 1 1 20 20 ARG HD2 H 1 2.895 0.005 . 1 . 951 . . 20 ARG HD2 . 17368 1 181 . 1 1 20 20 ARG HD3 H 1 2.895 0.005 . 1 . 826 . . 20 ARG HD3 . 17368 1 182 . 1 1 20 20 ARG C C 13 178.148 0.05 . 1 . 571 . . 20 ARG C . 17368 1 183 . 1 1 20 20 ARG CA C 13 60.616 0.066 . 1 . 567 . . 20 ARG CA . 17368 1 184 . 1 1 20 20 ARG CB C 13 31.188 0.011 . 1 . 759 . . 20 ARG CB . 17368 1 185 . 1 1 20 20 ARG CG C 13 27.510 0.05 . 1 . 781 . . 20 ARG CG . 17368 1 186 . 1 1 20 20 ARG CD C 13 43.104 0.049 . 1 . 780 . . 20 ARG CD . 17368 1 187 . 1 1 20 20 ARG N N 15 122.092 0.015 . 1 . 169 . . 20 ARG N . 17368 1 188 . 1 1 21 21 LYS H H 1 8.592 0.003 . 1 . 105 . . 21 LYS H . 17368 1 189 . 1 1 21 21 LYS HA H 1 3.964 0.006 . 1 . 448 . . 21 LYS HA . 17368 1 190 . 1 1 21 21 LYS HB2 H 1 1.784 0.005 . 1 . 952 . . 21 LYS HB2 . 17368 1 191 . 1 1 21 21 LYS HB3 H 1 1.784 0.005 . 1 . 828 . . 21 LYS HB3 . 17368 1 192 . 1 1 21 21 LYS HG2 H 1 1.381 0.002 . 2 . 818 . . 21 LYS HG2 . 17368 1 193 . 1 1 21 21 LYS HG3 H 1 1.486 0.001 . 2 . 817 . . 21 LYS HG3 . 17368 1 194 . 1 1 21 21 LYS HD2 H 1 1.658 0.005 . 1 . 955 . . 21 LYS HD2 . 17368 1 195 . 1 1 21 21 LYS HD3 H 1 1.652 0.005 . 1 . 816 . . 21 LYS HD3 . 17368 1 196 . 1 1 21 21 LYS HE2 H 1 2.949 0.005 . 1 . 954 . . 21 LYS HE2 . 17368 1 197 . 1 1 21 21 LYS HE3 H 1 2.949 0.005 . 1 . 953 . . 21 LYS HE3 . 17368 1 198 . 1 1 21 21 LYS C C 13 179.787 0.05 . 1 . 447 . . 21 LYS C . 17368 1 199 . 1 1 21 21 LYS CA C 13 59.334 0.029 . 1 . 446 . . 21 LYS CA . 17368 1 200 . 1 1 21 21 LYS CB C 13 31.344 0.017 . 1 . 445 . . 21 LYS CB . 17368 1 201 . 1 1 21 21 LYS CG C 13 25.040 0.034 . 1 . 784 . . 21 LYS CG . 17368 1 202 . 1 1 21 21 LYS CD C 13 28.720 0.05 . 1 . 783 . . 21 LYS CD . 17368 1 203 . 1 1 21 21 LYS CE C 13 42.014 0.05 . 1 . 782 . . 21 LYS CE . 17368 1 204 . 1 1 21 21 LYS N N 15 117.499 0.017 . 1 . 106 . . 21 LYS N . 17368 1 205 . 1 1 22 22 ASP H H 1 8.056 0.003 . 1 . 153 . . 22 ASP H . 17368 1 206 . 1 1 22 22 ASP HA H 1 4.427 0.005 . 1 . 386 . . 22 ASP HA . 17368 1 207 . 1 1 22 22 ASP HB2 H 1 2.647 0.005 . 2 . 387 . . 22 ASP HB2 . 17368 1 208 . 1 1 22 22 ASP HB3 H 1 2.507 0.005 . 2 . 388 . . 22 ASP HB3 . 17368 1 209 . 1 1 22 22 ASP C C 13 178.651 0.05 . 1 . 385 . . 22 ASP C . 17368 1 210 . 1 1 22 22 ASP CA C 13 57.227 0.002 . 1 . 383 . . 22 ASP CA . 17368 1 211 . 1 1 22 22 ASP CB C 13 40.630 0.011 . 1 . 384 . . 22 ASP CB . 17368 1 212 . 1 1 22 22 ASP N N 15 120.576 0.018 . 1 . 154 . . 22 ASP N . 17368 1 213 . 1 1 23 23 ALA H H 1 8.569 0.002 . 1 . 205 . . 23 ALA H . 17368 1 214 . 1 1 23 23 ALA HA H 1 3.788 0.005 . 1 . 620 . . 23 ALA HA . 17368 1 215 . 1 1 23 23 ALA HB1 H 1 1.374 0.005 . 1 . 621 . . 23 ALA HB1 . 17368 1 216 . 1 1 23 23 ALA HB2 H 1 1.374 0.005 . 1 . 621 . . 23 ALA HB2 . 17368 1 217 . 1 1 23 23 ALA HB3 H 1 1.374 0.005 . 1 . 621 . . 23 ALA HB3 . 17368 1 218 . 1 1 23 23 ALA C C 13 179.222 0.05 . 1 . 622 . . 23 ALA C . 17368 1 219 . 1 1 23 23 ALA CA C 13 55.340 0.014 . 1 . 618 . . 23 ALA CA . 17368 1 220 . 1 1 23 23 ALA CB C 13 18.308 0.034 . 1 . 619 . . 23 ALA CB . 17368 1 221 . 1 1 23 23 ALA N N 15 122.455 0.017 . 1 . 206 . . 23 ALA N . 17368 1 222 . 1 1 24 24 GLU H H 1 8.149 0.003 . 1 . 219 . . 24 GLU H . 17368 1 223 . 1 1 24 24 GLU HA H 1 3.786 0.002 . 1 . 574 . . 24 GLU HA . 17368 1 224 . 1 1 24 24 GLU HB2 H 1 2.302 0.005 . 2 . 575 . . 24 GLU HB2 . 17368 1 225 . 1 1 24 24 GLU HB3 H 1 2.023 0.005 . 2 . 576 . . 24 GLU HB3 . 17368 1 226 . 1 1 24 24 GLU HG2 H 1 2.001 0.005 . 2 . 956 . . 24 GLU HG2 . 17368 1 227 . 1 1 24 24 GLU HG3 H 1 3.037 0.005 . 2 . 957 . . 24 GLU HG3 . 17368 1 228 . 1 1 24 24 GLU C C 13 177.259 0.05 . 1 . 577 . . 24 GLU C . 17368 1 229 . 1 1 24 24 GLU CA C 13 60.462 0.021 . 1 . 572 . . 24 GLU CA . 17368 1 230 . 1 1 24 24 GLU CB C 13 28.349 0.025 . 1 . 573 . . 24 GLU CB . 17368 1 231 . 1 1 24 24 GLU CG C 13 36.861 0.072 . 1 . 785 . . 24 GLU CG . 17368 1 232 . 1 1 24 24 GLU N N 15 116.019 0.007 . 1 . 220 . . 24 GLU N . 17368 1 233 . 1 1 25 25 ARG H H 1 7.783 0.003 . 1 . 166 . . 25 ARG H . 17368 1 234 . 1 1 25 25 ARG HA H 1 3.885 0.002 . 1 . 578 . . 25 ARG HA . 17368 1 235 . 1 1 25 25 ARG HB2 H 1 1.936 0.005 . 1 . 958 . . 25 ARG HB2 . 17368 1 236 . 1 1 25 25 ARG HB3 H 1 1.933 0.003 . 1 . 579 . . 25 ARG HB3 . 17368 1 237 . 1 1 25 25 ARG HG2 H 1 1.575 0.002 . 2 . 820 . . 25 ARG HG2 . 17368 1 238 . 1 1 25 25 ARG HG3 H 1 1.724 0.005 . 2 . 830 . . 25 ARG HG3 . 17368 1 239 . 1 1 25 25 ARG HD2 H 1 3.230 0.007 . 1 . 959 . . 25 ARG HD2 . 17368 1 240 . 1 1 25 25 ARG HD3 H 1 3.230 0.007 . 1 . 819 . . 25 ARG HD3 . 17368 1 241 . 1 1 25 25 ARG C C 13 179.277 0.05 . 1 . 580 . . 25 ARG C . 17368 1 242 . 1 1 25 25 ARG CA C 13 59.375 0.074 . 1 . 582 . . 25 ARG CA . 17368 1 243 . 1 1 25 25 ARG CB C 13 29.951 0.015 . 1 . 581 . . 25 ARG CB . 17368 1 244 . 1 1 25 25 ARG CG C 13 27.497 0.026 . 1 . 787 . . 25 ARG CG . 17368 1 245 . 1 1 25 25 ARG CD C 13 43.242 0.05 . 1 . 786 . . 25 ARG CD . 17368 1 246 . 1 1 25 25 ARG N N 15 117.433 0.03 . 1 . 167 . . 25 ARG N . 17368 1 247 . 1 1 26 26 GLN H H 1 7.795 0.003 . 1 . 221 . . 26 GLN H . 17368 1 248 . 1 1 26 26 GLN HA H 1 3.881 0.005 . 1 . 494 . . 26 GLN HA . 17368 1 249 . 1 1 26 26 GLN HB2 H 1 1.925 0.006 . 1 . 495 . . 26 GLN HB2 . 17368 1 250 . 1 1 26 26 GLN HB3 H 1 1.925 0.006 . 1 . 960 . . 26 GLN HB3 . 17368 1 251 . 1 1 26 26 GLN HG2 H 1 2.251 0.005 . 2 . 962 . . 26 GLN HG2 . 17368 1 252 . 1 1 26 26 GLN HG3 H 1 2.333 0.005 . 2 . 961 . . 26 GLN HG3 . 17368 1 253 . 1 1 26 26 GLN HE21 H 1 6.546 0.005 . 1 . 1 . . 26 GLN HE21 . 17368 1 254 . 1 1 26 26 GLN HE22 H 1 7.009 0.005 . 1 . 170 . . 26 GLN HE22 . 17368 1 255 . 1 1 26 26 GLN C C 13 179.493 0.05 . 1 . 496 . . 26 GLN C . 17368 1 256 . 1 1 26 26 GLN CA C 13 58.991 0.026 . 1 . 492 . . 26 GLN CA . 17368 1 257 . 1 1 26 26 GLN CB C 13 28.507 0.051 . 1 . 493 . . 26 GLN CB . 17368 1 258 . 1 1 26 26 GLN CG C 13 34.119 0.05 . 1 . 788 . . 26 GLN CG . 17368 1 259 . 1 1 26 26 GLN N N 15 117.067 0.034 . 1 . 222 . . 26 GLN N . 17368 1 260 . 1 1 26 26 GLN NE2 N 15 110.009 0.004 . 1 . 2 . . 26 GLN NE2 . 17368 1 261 . 1 1 27 27 LEU H H 1 8.223 0.004 . 1 . 79 . . 27 LEU H . 17368 1 262 . 1 1 27 27 LEU HA H 1 3.830 0.001 . 1 . 558 . . 27 LEU HA . 17368 1 263 . 1 1 27 27 LEU HB2 H 1 1.858 0.005 . 2 . 559 . . 27 LEU HB2 . 17368 1 264 . 1 1 27 27 LEU HB3 H 1 0.910 0.005 . 2 . 560 . . 27 LEU HB3 . 17368 1 265 . 1 1 27 27 LEU HG H 1 1.546 0.005 . 1 . 897 . . 27 LEU HG . 17368 1 266 . 1 1 27 27 LEU HD11 H 1 0.516 0.004 . 2 . 1209 . . 27 LEU HD11 . 17368 1 267 . 1 1 27 27 LEU HD12 H 1 0.516 0.004 . 2 . 1209 . . 27 LEU HD12 . 17368 1 268 . 1 1 27 27 LEU HD13 H 1 0.516 0.004 . 2 . 1209 . . 27 LEU HD13 . 17368 1 269 . 1 1 27 27 LEU HD21 H 1 0.507 0.006 . 2 . 1208 . . 27 LEU HD21 . 17368 1 270 . 1 1 27 27 LEU HD22 H 1 0.507 0.006 . 2 . 1208 . . 27 LEU HD22 . 17368 1 271 . 1 1 27 27 LEU HD23 H 1 0.507 0.006 . 2 . 1208 . . 27 LEU HD23 . 17368 1 272 . 1 1 27 27 LEU C C 13 179.451 0.05 . 1 . 561 . . 27 LEU C . 17368 1 273 . 1 1 27 27 LEU CA C 13 57.903 0.029 . 1 . 556 . . 27 LEU CA . 17368 1 274 . 1 1 27 27 LEU CB C 13 43.299 0.056 . 1 . 557 . . 27 LEU CB . 17368 1 275 . 1 1 27 27 LEU CD1 C 13 23.698 0.045 . 2 . 790 . . 27 LEU CD1 . 17368 1 276 . 1 1 27 27 LEU CD2 C 13 27.495 0.036 . 2 . 789 . . 27 LEU CD2 . 17368 1 277 . 1 1 27 27 LEU N N 15 119.368 0.028 . 1 . 80 . . 27 LEU N . 17368 1 278 . 1 1 28 28 LEU H H 1 8.095 0.005 . 1 . 149 . . 28 LEU H . 17368 1 279 . 1 1 28 28 LEU HA H 1 4.213 0.005 . 1 . 609 . . 28 LEU HA . 17368 1 280 . 1 1 28 28 LEU HB2 H 1 1.630 0.005 . 2 . 611 . . 28 LEU HB2 . 17368 1 281 . 1 1 28 28 LEU HB3 H 1 1.773 0.005 . 2 . 610 . . 28 LEU HB3 . 17368 1 282 . 1 1 28 28 LEU HG H 1 1.526 0.002 . 1 . 893 . . 28 LEU HG . 17368 1 283 . 1 1 28 28 LEU HD11 H 1 0.837 0.005 . 2 . 892 . . 28 LEU HD11 . 17368 1 284 . 1 1 28 28 LEU HD12 H 1 0.837 0.005 . 2 . 892 . . 28 LEU HD12 . 17368 1 285 . 1 1 28 28 LEU HD13 H 1 0.837 0.005 . 2 . 892 . . 28 LEU HD13 . 17368 1 286 . 1 1 28 28 LEU HD21 H 1 0.554 0.004 . 2 . 891 . . 28 LEU HD21 . 17368 1 287 . 1 1 28 28 LEU HD22 H 1 0.554 0.004 . 2 . 891 . . 28 LEU HD22 . 17368 1 288 . 1 1 28 28 LEU HD23 H 1 0.554 0.004 . 2 . 891 . . 28 LEU HD23 . 17368 1 289 . 1 1 28 28 LEU C C 13 175.738 0.05 . 1 . 612 . . 28 LEU C . 17368 1 290 . 1 1 28 28 LEU CA C 13 55.586 0.011 . 1 . 607 . . 28 LEU CA . 17368 1 291 . 1 1 28 28 LEU CB C 13 39.946 0.037 . 1 . 608 . . 28 LEU CB . 17368 1 292 . 1 1 28 28 LEU CG C 13 26.407 0.05 . 1 . 896 . . 28 LEU CG . 17368 1 293 . 1 1 28 28 LEU CD1 C 13 25.222 0.072 . 2 . 890 . . 28 LEU CD1 . 17368 1 294 . 1 1 28 28 LEU CD2 C 13 21.569 0.063 . 2 . 791 . . 28 LEU CD2 . 17368 1 295 . 1 1 28 28 LEU N N 15 117.851 0.021 . 1 . 150 . . 28 LEU N . 17368 1 296 . 1 1 29 29 SER H H 1 7.049 0.004 . 1 . 15 . . 29 SER H . 17368 1 297 . 1 1 29 29 SER HA H 1 4.294 0.005 . 1 . 1141 . . 29 SER HA . 17368 1 298 . 1 1 29 29 SER HB2 H 1 3.855 0.005 . 1 . 1139 . . 29 SER HB2 . 17368 1 299 . 1 1 29 29 SER HB3 H 1 3.855 0.005 . 1 . 1140 . . 29 SER HB3 . 17368 1 300 . 1 1 29 29 SER C C 13 173.553 0.05 . 1 . 1144 . . 29 SER C . 17368 1 301 . 1 1 29 29 SER CA C 13 59.702 0.05 . 1 . 606 . . 29 SER CA . 17368 1 302 . 1 1 29 29 SER CB C 13 63.985 0.05 . 1 . 605 . . 29 SER CB . 17368 1 303 . 1 1 29 29 SER N N 15 116.280 0.016 . 1 . 16 . . 29 SER N . 17368 1 304 . 1 1 30 30 PHE H H 1 8.536 0.004 . 1 . 1143 . . 30 PHE H . 17368 1 305 . 1 1 30 30 PHE HA H 1 4.331 0.005 . 1 . 1119 . . 30 PHE HA . 17368 1 306 . 1 1 30 30 PHE HB2 H 1 3.192 0.005 . 2 . 1118 . . 30 PHE HB2 . 17368 1 307 . 1 1 30 30 PHE HB3 H 1 2.915 0.005 . 2 . 1117 . . 30 PHE HB3 . 17368 1 308 . 1 1 30 30 PHE HD1 H 1 7.237 0.001 . 3 . 1120 . . 30 PHE HD1 . 17368 1 309 . 1 1 30 30 PHE HD2 H 1 7.237 0.001 . 3 . 1120 . . 30 PHE HD2 . 17368 1 310 . 1 1 30 30 PHE HE1 H 1 7.354 0.003 . 3 . 1121 . . 30 PHE HE1 . 17368 1 311 . 1 1 30 30 PHE HE2 H 1 7.354 0.003 . 3 . 1121 . . 30 PHE HE2 . 17368 1 312 . 1 1 30 30 PHE HZ H 1 7.305 0.005 . 1 . 1124 . . 30 PHE HZ . 17368 1 313 . 1 1 30 30 PHE C C 13 176.868 0.05 . 1 . 686 . . 30 PHE C . 17368 1 314 . 1 1 30 30 PHE CA C 13 59.867 0.016 . 1 . 684 . . 30 PHE CA . 17368 1 315 . 1 1 30 30 PHE CB C 13 39.153 0.051 . 1 . 685 . . 30 PHE CB . 17368 1 316 . 1 1 30 30 PHE CD1 C 13 131.722 0.05 . 3 . 1122 . . 30 PHE CD1 . 17368 1 317 . 1 1 30 30 PHE CD2 C 13 131.722 0.05 . 3 . 1122 . . 30 PHE CD2 . 17368 1 318 . 1 1 30 30 PHE CE1 C 13 131.659 0.05 . 3 . 1123 . . 30 PHE CE1 . 17368 1 319 . 1 1 30 30 PHE CE2 C 13 131.659 0.05 . 3 . 1123 . . 30 PHE CE2 . 17368 1 320 . 1 1 30 30 PHE CZ C 13 129.938 0.05 . 1 . 1125 . . 30 PHE CZ . 17368 1 321 . 1 1 30 30 PHE N N 15 123.533 0.017 . 1 . 1142 . . 30 PHE N . 17368 1 322 . 1 1 31 31 GLY H H 1 8.272 0.003 . 1 . 164 . . 31 GLY H . 17368 1 323 . 1 1 31 31 GLY HA2 H 1 3.206 0.005 . 2 . 479 . . 31 GLY HA2 . 17368 1 324 . 1 1 31 31 GLY HA3 H 1 3.962 0.005 . 2 . 478 . . 31 GLY HA3 . 17368 1 325 . 1 1 31 31 GLY C C 13 174.072 0.05 . 1 . 480 . . 31 GLY C . 17368 1 326 . 1 1 31 31 GLY CA C 13 44.767 0.009 . 1 . 741 . . 31 GLY CA . 17368 1 327 . 1 1 31 31 GLY N N 15 113.689 0.04 . 1 . 165 . . 31 GLY N . 17368 1 328 . 1 1 32 32 ASN H H 1 6.976 0.004 . 1 . 39 . . 32 ASN H . 17368 1 329 . 1 1 32 32 ASN HA H 1 5.063 0.005 . 1 . 1145 . . 32 ASN HA . 17368 1 330 . 1 1 32 32 ASN HB2 H 1 2.844 0.005 . 2 . 1146 . . 32 ASN HB2 . 17368 1 331 . 1 1 32 32 ASN HB3 H 1 3.012 0.005 . 2 . 1147 . . 32 ASN HB3 . 17368 1 332 . 1 1 32 32 ASN HD21 H 1 6.820 0.005 . 1 . 1150 . . 32 ASN HD21 . 17368 1 333 . 1 1 32 32 ASN HD22 H 1 6.970 0.005 . 1 . 1148 . . 32 ASN HD22 . 17368 1 334 . 1 1 32 32 ASN CA C 13 50.315 0.05 . 1 . 476 . . 32 ASN CA . 17368 1 335 . 1 1 32 32 ASN CB C 13 38.652 0.05 . 1 . 477 . . 32 ASN CB . 17368 1 336 . 1 1 32 32 ASN N N 15 120.002 0.017 . 1 . 40 . . 32 ASN N . 17368 1 337 . 1 1 32 32 ASN ND2 N 15 113.049 0.002 . 1 . 1149 . . 32 ASN ND2 . 17368 1 338 . 1 1 33 33 PRO HA H 1 4.509 0.005 . 1 . 356 . . 33 PRO HA . 17368 1 339 . 1 1 33 33 PRO HB2 H 1 2.177 0.005 . 2 . 357 . . 33 PRO HB2 . 17368 1 340 . 1 1 33 33 PRO HB3 H 1 2.007 0.005 . 2 . 358 . . 33 PRO HB3 . 17368 1 341 . 1 1 33 33 PRO HG2 H 1 1.611 0.005 . 2 . 963 . . 33 PRO HG2 . 17368 1 342 . 1 1 33 33 PRO HG3 H 1 1.937 0.005 . 2 . 964 . . 33 PRO HG3 . 17368 1 343 . 1 1 33 33 PRO HD2 H 1 3.743 0.001 . 2 . 965 . . 33 PRO HD2 . 17368 1 344 . 1 1 33 33 PRO HD3 H 1 3.921 0.005 . 2 . 966 . . 33 PRO HD3 . 17368 1 345 . 1 1 33 33 PRO C C 13 177.837 0.05 . 1 . 359 . . 33 PRO C . 17368 1 346 . 1 1 33 33 PRO CA C 13 61.529 0.063 . 1 . 354 . . 33 PRO CA . 17368 1 347 . 1 1 33 33 PRO CB C 13 33.303 0.009 . 1 . 355 . . 33 PRO CB . 17368 1 348 . 1 1 33 33 PRO CG C 13 26.928 0.05 . 1 . 792 . . 33 PRO CG . 17368 1 349 . 1 1 33 33 PRO CD C 13 50.850 0.053 . 1 . 793 . . 33 PRO CD . 17368 1 350 . 1 1 34 34 ARG H H 1 8.687 0.004 . 1 . 112 . . 34 ARG H . 17368 1 351 . 1 1 34 34 ARG HA H 1 3.828 0.005 . 1 . 682 . . 34 ARG HA . 17368 1 352 . 1 1 34 34 ARG HB2 H 1 1.720 0.005 . 2 . 683 . . 34 ARG HB2 . 17368 1 353 . 1 1 34 34 ARG HB3 H 1 1.899 0.005 . 2 . 681 . . 34 ARG HB3 . 17368 1 354 . 1 1 34 34 ARG HD2 H 1 3.297 0.005 . 2 . 822 . . 34 ARG HD2 . 17368 1 355 . 1 1 34 34 ARG HD3 H 1 3.227 0.005 . 2 . 821 . . 34 ARG HD3 . 17368 1 356 . 1 1 34 34 ARG C C 13 177.009 0.05 . 1 . 680 . . 34 ARG C . 17368 1 357 . 1 1 34 34 ARG CA C 13 58.785 0.015 . 1 . 678 . . 34 ARG CA . 17368 1 358 . 1 1 34 34 ARG CB C 13 29.937 0.039 . 1 . 679 . . 34 ARG CB . 17368 1 359 . 1 1 34 34 ARG CG C 13 28.143 0.05 . 1 . 794 . . 34 ARG CG . 17368 1 360 . 1 1 34 34 ARG CD C 13 44.282 0.053 . 1 . 795 . . 34 ARG CD . 17368 1 361 . 1 1 34 34 ARG N N 15 123.132 0.01 . 1 . 113 . . 34 ARG N . 17368 1 362 . 1 1 35 35 GLY H H 1 9.560 0.006 . 1 . 191 . . 35 GLY H . 17368 1 363 . 1 1 35 35 GLY HA2 H 1 4.514 0.005 . 2 . 428 . . 35 GLY HA2 . 17368 1 364 . 1 1 35 35 GLY HA3 H 1 3.359 0.005 . 2 . 429 . . 35 GLY HA3 . 17368 1 365 . 1 1 35 35 GLY C C 13 176.122 0.05 . 1 . 427 . . 35 GLY C . 17368 1 366 . 1 1 35 35 GLY CA C 13 45.700 0.013 . 1 . 426 . . 35 GLY CA . 17368 1 367 . 1 1 35 35 GLY N N 15 114.077 0.029 . 1 . 192 . . 35 GLY N . 17368 1 368 . 1 1 36 36 THR H H 1 7.825 0.002 . 1 . 195 . . 36 THR H . 17368 1 369 . 1 1 36 36 THR HA H 1 5.337 0.005 . 1 . 755 . . 36 THR HA . 17368 1 370 . 1 1 36 36 THR HB H 1 3.733 0.005 . 1 . 798 . . 36 THR HB . 17368 1 371 . 1 1 36 36 THR HG21 H 1 1.085 0.005 . 1 . 823 . . 36 THR HG21 . 17368 1 372 . 1 1 36 36 THR HG22 H 1 1.085 0.005 . 1 . 823 . . 36 THR HG22 . 17368 1 373 . 1 1 36 36 THR HG23 H 1 1.085 0.005 . 1 . 823 . . 36 THR HG23 . 17368 1 374 . 1 1 36 36 THR C C 13 174.232 0.05 . 1 . 752 . . 36 THR C . 17368 1 375 . 1 1 36 36 THR CA C 13 64.475 0.072 . 1 . 754 . . 36 THR CA . 17368 1 376 . 1 1 36 36 THR CB C 13 67.761 0.018 . 1 . 753 . . 36 THR CB . 17368 1 377 . 1 1 36 36 THR CG2 C 13 21.819 0.05 . 1 . 796 . . 36 THR CG2 . 17368 1 378 . 1 1 36 36 THR N N 15 121.162 0.01 . 1 . 196 . . 36 THR N . 17368 1 379 . 1 1 37 37 PHE H H 1 8.338 0.003 . 1 . 175 . . 37 PHE H . 17368 1 380 . 1 1 37 37 PHE HA H 1 6.063 0.005 . 1 . 667 . . 37 PHE HA . 17368 1 381 . 1 1 37 37 PHE HB2 H 1 2.897 0.005 . 2 . 668 . . 37 PHE HB2 . 17368 1 382 . 1 1 37 37 PHE HB3 H 1 2.690 0.005 . 2 . 669 . . 37 PHE HB3 . 17368 1 383 . 1 1 37 37 PHE HZ H 1 6.862 0.005 . 1 . 1154 . . 37 PHE HZ . 17368 1 384 . 1 1 37 37 PHE C C 13 172.348 0.05 . 1 . 666 . . 37 PHE C . 17368 1 385 . 1 1 37 37 PHE CA C 13 55.350 0.012 . 1 . 664 . . 37 PHE CA . 17368 1 386 . 1 1 37 37 PHE CB C 13 44.816 0.023 . 1 . 665 . . 37 PHE CB . 17368 1 387 . 1 1 37 37 PHE CZ C 13 129.553 0.05 . 1 . 1155 . . 37 PHE CZ . 17368 1 388 . 1 1 37 37 PHE N N 15 122.732 0.057 . 1 . 176 . . 37 PHE N . 17368 1 389 . 1 1 38 38 LEU H H 1 8.943 0.002 . 1 . 81 . . 38 LEU H . 17368 1 390 . 1 1 38 38 LEU HA H 1 4.737 0.005 . 1 . 467 . . 38 LEU HA . 17368 1 391 . 1 1 38 38 LEU HB2 H 1 1.409 0.005 . 1 . 468 . . 38 LEU HB2 . 17368 1 392 . 1 1 38 38 LEU HB3 H 1 1.409 0.005 . 1 . 894 . . 38 LEU HB3 . 17368 1 393 . 1 1 38 38 LEU HG H 1 1.494 0.007 . 1 . 810 . . 38 LEU HG . 17368 1 394 . 1 1 38 38 LEU HD11 H 1 -0.111 0.005 . 2 . 808 . . 38 LEU HD11 . 17368 1 395 . 1 1 38 38 LEU HD12 H 1 -0.111 0.005 . 2 . 808 . . 38 LEU HD12 . 17368 1 396 . 1 1 38 38 LEU HD13 H 1 -0.111 0.005 . 2 . 808 . . 38 LEU HD13 . 17368 1 397 . 1 1 38 38 LEU HD21 H 1 0.595 0.003 . 2 . 809 . . 38 LEU HD21 . 17368 1 398 . 1 1 38 38 LEU HD22 H 1 0.595 0.003 . 2 . 809 . . 38 LEU HD22 . 17368 1 399 . 1 1 38 38 LEU HD23 H 1 0.595 0.003 . 2 . 809 . . 38 LEU HD23 . 17368 1 400 . 1 1 38 38 LEU C C 13 174.654 0.05 . 1 . 469 . . 38 LEU C . 17368 1 401 . 1 1 38 38 LEU CA C 13 54.626 0.009 . 1 . 465 . . 38 LEU CA . 17368 1 402 . 1 1 38 38 LEU CB C 13 45.548 0.03 . 1 . 466 . . 38 LEU CB . 17368 1 403 . 1 1 38 38 LEU CG C 13 24.811 0.05 . 1 . 895 . . 38 LEU CG . 17368 1 404 . 1 1 38 38 LEU CD1 C 13 26.257 0.071 . 2 . 1211 . . 38 LEU CD1 . 17368 1 405 . 1 1 38 38 LEU CD2 C 13 25.375 0.064 . 2 . 1210 . . 38 LEU CD2 . 17368 1 406 . 1 1 38 38 LEU N N 15 114.489 0.028 . 1 . 82 . . 38 LEU N . 17368 1 407 . 1 1 39 39 ILE H H 1 9.307 0.003 . 1 . 200 . . 39 ILE H . 17368 1 408 . 1 1 39 39 ILE HA H 1 5.529 0.009 . 1 . 320 . . 39 ILE HA . 17368 1 409 . 1 1 39 39 ILE HB H 1 2.104 0.006 . 1 . 319 . . 39 ILE HB . 17368 1 410 . 1 1 39 39 ILE HG12 H 1 1.051 0.001 . 2 . 967 . . 39 ILE HG12 . 17368 1 411 . 1 1 39 39 ILE HG13 H 1 1.706 0.005 . 2 . 968 . . 39 ILE HG13 . 17368 1 412 . 1 1 39 39 ILE HG21 H 1 1.063 0.005 . 1 . 969 . . 39 ILE HG21 . 17368 1 413 . 1 1 39 39 ILE HG22 H 1 1.063 0.005 . 1 . 969 . . 39 ILE HG22 . 17368 1 414 . 1 1 39 39 ILE HG23 H 1 1.063 0.005 . 1 . 969 . . 39 ILE HG23 . 17368 1 415 . 1 1 39 39 ILE HD11 H 1 0.432 0.009 . 1 . 970 . . 39 ILE HD11 . 17368 1 416 . 1 1 39 39 ILE HD12 H 1 0.432 0.009 . 1 . 970 . . 39 ILE HD12 . 17368 1 417 . 1 1 39 39 ILE HD13 H 1 0.432 0.009 . 1 . 970 . . 39 ILE HD13 . 17368 1 418 . 1 1 39 39 ILE C C 13 172.660 0.05 . 1 . 321 . . 39 ILE C . 17368 1 419 . 1 1 39 39 ILE CA C 13 60.487 0.01 . 1 . 317 . . 39 ILE CA . 17368 1 420 . 1 1 39 39 ILE CB C 13 40.086 0.024 . 1 . 318 . . 39 ILE CB . 17368 1 421 . 1 1 39 39 ILE CG1 C 13 30.238 0.041 . 1 . 799 . . 39 ILE CG1 . 17368 1 422 . 1 1 39 39 ILE CG2 C 13 18.085 0.046 . 1 . 800 . . 39 ILE CG2 . 17368 1 423 . 1 1 39 39 ILE CD1 C 13 13.021 0.135 . 1 . 801 . . 39 ILE CD1 . 17368 1 424 . 1 1 39 39 ILE N N 15 119.967 0.021 . 1 . 201 . . 39 ILE N . 17368 1 425 . 1 1 40 40 ARG H H 1 9.071 0.004 . 1 . 87 . . 40 ARG H . 17368 1 426 . 1 1 40 40 ARG HA H 1 5.135 0.001 . 1 . 410 . . 40 ARG HA . 17368 1 427 . 1 1 40 40 ARG HB2 H 1 1.259 0.005 . 2 . 412 . . 40 ARG HB2 . 17368 1 428 . 1 1 40 40 ARG HB3 H 1 2.347 0.005 . 2 . 411 . . 40 ARG HB3 . 17368 1 429 . 1 1 40 40 ARG HG2 H 1 1.473 0.005 . 2 . 833 . . 40 ARG HG2 . 17368 1 430 . 1 1 40 40 ARG HG3 H 1 1.684 0.005 . 2 . 834 . . 40 ARG HG3 . 17368 1 431 . 1 1 40 40 ARG HD2 H 1 2.385 0.005 . 2 . 831 . . 40 ARG HD2 . 17368 1 432 . 1 1 40 40 ARG HD3 H 1 3.439 0.005 . 2 . 832 . . 40 ARG HD3 . 17368 1 433 . 1 1 40 40 ARG C C 13 174.999 0.05 . 1 . 409 . . 40 ARG C . 17368 1 434 . 1 1 40 40 ARG CA C 13 52.559 0.002 . 1 . 407 . . 40 ARG CA . 17368 1 435 . 1 1 40 40 ARG CB C 13 34.216 0.06 . 1 . 408 . . 40 ARG CB . 17368 1 436 . 1 1 40 40 ARG CG C 13 26.116 0.068 . 1 . 803 . . 40 ARG CG . 17368 1 437 . 1 1 40 40 ARG CD C 13 43.068 0.073 . 1 . 802 . . 40 ARG CD . 17368 1 438 . 1 1 40 40 ARG N N 15 124.170 0.025 . 1 . 88 . . 40 ARG N . 17368 1 439 . 1 1 41 41 GLU H H 1 8.780 0.003 . 1 . 116 . . 41 GLU H . 17368 1 440 . 1 1 41 41 GLU HA H 1 4.255 0.006 . 1 . 629 . . 41 GLU HA . 17368 1 441 . 1 1 41 41 GLU HB2 H 1 2.038 0.005 . 2 . 630 . . 41 GLU HB2 . 17368 1 442 . 1 1 41 41 GLU HB3 H 1 1.828 0.005 . 2 . 631 . . 41 GLU HB3 . 17368 1 443 . 1 1 41 41 GLU HG2 H 1 2.415 0.008 . 1 . 972 . . 41 GLU HG2 . 17368 1 444 . 1 1 41 41 GLU HG3 H 1 2.415 0.008 . 1 . 971 . . 41 GLU HG3 . 17368 1 445 . 1 1 41 41 GLU C C 13 176.430 0.05 . 1 . 632 . . 41 GLU C . 17368 1 446 . 1 1 41 41 GLU CA C 13 57.908 0.041 . 1 . 633 . . 41 GLU CA . 17368 1 447 . 1 1 41 41 GLU CB C 13 30.534 0.034 . 1 . 628 . . 41 GLU CB . 17368 1 448 . 1 1 41 41 GLU CG C 13 36.733 0.06 . 1 . 805 . . 41 GLU CG . 17368 1 449 . 1 1 41 41 GLU N N 15 121.533 0.024 . 1 . 117 . . 41 GLU N . 17368 1 450 . 1 1 42 42 SER H H 1 7.746 0.003 . 1 . 114 . . 42 SER H . 17368 1 451 . 1 1 42 42 SER HA H 1 4.553 0.005 . 1 . 231 . . 42 SER HA . 17368 1 452 . 1 1 42 42 SER HB2 H 1 3.536 0.005 . 2 . 233 . . 42 SER HB2 . 17368 1 453 . 1 1 42 42 SER HB3 H 1 3.844 0.005 . 2 . 232 . . 42 SER HB3 . 17368 1 454 . 1 1 42 42 SER C C 13 176.650 0.05 . 1 . 234 . . 42 SER C . 17368 1 455 . 1 1 42 42 SER CA C 13 57.453 0.039 . 1 . 229 . . 42 SER CA . 17368 1 456 . 1 1 42 42 SER CB C 13 63.631 0.04 . 1 . 230 . . 42 SER CB . 17368 1 457 . 1 1 42 42 SER N N 15 115.819 0.016 . 1 . 115 . . 42 SER N . 17368 1 458 . 1 1 43 43 GLU H H 1 10.700 0.007 . 1 . 83 . . 43 GLU H . 17368 1 459 . 1 1 43 43 GLU HA H 1 4.203 0.005 . 1 . 703 . . 43 GLU HA . 17368 1 460 . 1 1 43 43 GLU HB2 H 1 2.194 0.005 . 2 . 704 . . 43 GLU HB2 . 17368 1 461 . 1 1 43 43 GLU HB3 H 1 2.116 0.005 . 2 . 705 . . 43 GLU HB3 . 17368 1 462 . 1 1 43 43 GLU HG2 H 1 2.409 0.005 . 2 . 973 . . 43 GLU HG2 . 17368 1 463 . 1 1 43 43 GLU HG3 H 1 2.306 0.005 . 2 . 974 . . 43 GLU HG3 . 17368 1 464 . 1 1 43 43 GLU C C 13 178.135 0.05 . 1 . 702 . . 43 GLU C . 17368 1 465 . 1 1 43 43 GLU CA C 13 58.060 0.033 . 1 . 700 . . 43 GLU CA . 17368 1 466 . 1 1 43 43 GLU CB C 13 31.226 0.03 . 1 . 701 . . 43 GLU CB . 17368 1 467 . 1 1 43 43 GLU CG C 13 37.512 0.04 . 1 . 804 . . 43 GLU CG . 17368 1 468 . 1 1 43 43 GLU N N 15 129.908 0.011 . 1 . 84 . . 43 GLU N . 17368 1 469 . 1 1 44 44 THR H H 1 8.182 0.003 . 1 . 120 . . 44 THR H . 17368 1 470 . 1 1 44 44 THR HA H 1 4.268 0.002 . 1 . 443 . . 44 THR HA . 17368 1 471 . 1 1 44 44 THR HB H 1 4.082 0.005 . 1 . 444 . . 44 THR HB . 17368 1 472 . 1 1 44 44 THR HG21 H 1 1.188 0.005 . 1 . 975 . . 44 THR HG21 . 17368 1 473 . 1 1 44 44 THR HG22 H 1 1.188 0.005 . 1 . 975 . . 44 THR HG22 . 17368 1 474 . 1 1 44 44 THR HG23 H 1 1.188 0.005 . 1 . 975 . . 44 THR HG23 . 17368 1 475 . 1 1 44 44 THR C C 13 175.675 0.05 . 1 . 442 . . 44 THR C . 17368 1 476 . 1 1 44 44 THR CA C 13 62.933 0.035 . 1 . 440 . . 44 THR CA . 17368 1 477 . 1 1 44 44 THR CB C 13 70.558 0.029 . 1 . 441 . . 44 THR CB . 17368 1 478 . 1 1 44 44 THR CG2 C 13 22.010 0.05 . 1 . 806 . . 44 THR CG2 . 17368 1 479 . 1 1 44 44 THR N N 15 109.139 0.005 . 1 . 121 . . 44 THR N . 17368 1 480 . 1 1 45 45 THR H H 1 7.990 0.004 . 1 . 103 . . 45 THR H . 17368 1 481 . 1 1 45 45 THR HA H 1 4.393 0.002 . 1 . 267 . . 45 THR HA . 17368 1 482 . 1 1 45 45 THR HB H 1 3.765 0.005 . 1 . 268 . . 45 THR HB . 17368 1 483 . 1 1 45 45 THR HG21 H 1 1.091 0.005 . 1 . 807 . . 45 THR HG21 . 17368 1 484 . 1 1 45 45 THR HG22 H 1 1.091 0.005 . 1 . 807 . . 45 THR HG22 . 17368 1 485 . 1 1 45 45 THR HG23 H 1 1.091 0.005 . 1 . 807 . . 45 THR HG23 . 17368 1 486 . 1 1 45 45 THR C C 13 173.178 0.05 . 1 . 269 . . 45 THR C . 17368 1 487 . 1 1 45 45 THR CA C 13 61.254 0.03 . 1 . 265 . . 45 THR CA . 17368 1 488 . 1 1 45 45 THR CB C 13 69.836 0.024 . 1 . 266 . . 45 THR CB . 17368 1 489 . 1 1 45 45 THR CG2 C 13 21.906 0.05 . 1 . 1156 . . 45 THR CG2 . 17368 1 490 . 1 1 45 45 THR N N 15 121.016 0.023 . 1 . 104 . . 45 THR N . 17368 1 491 . 1 1 46 46 LYS H H 1 8.537 0.004 . 1 . 89 . . 46 LYS H . 17368 1 492 . 1 1 46 46 LYS HA H 1 4.099 0.004 . 1 . 673 . . 46 LYS HA . 17368 1 493 . 1 1 46 46 LYS HB2 H 1 1.740 0.005 . 1 . 674 . . 46 LYS HB2 . 17368 1 494 . 1 1 46 46 LYS HB3 H 1 1.740 0.005 . 1 . 976 . . 46 LYS HB3 . 17368 1 495 . 1 1 46 46 LYS HG2 H 1 1.441 0.005 . 1 . 865 . . 46 LYS HG2 . 17368 1 496 . 1 1 46 46 LYS HG3 H 1 1.441 0.005 . 1 . 977 . . 46 LYS HG3 . 17368 1 497 . 1 1 46 46 LYS HD2 H 1 1.688 0.005 . 1 . 864 . . 46 LYS HD2 . 17368 1 498 . 1 1 46 46 LYS HD3 H 1 1.688 0.005 . 1 . 978 . . 46 LYS HD3 . 17368 1 499 . 1 1 46 46 LYS HE2 H 1 2.991 0.008 . 1 . 863 . . 46 LYS HE2 . 17368 1 500 . 1 1 46 46 LYS HE3 H 1 2.999 0.005 . 1 . 979 . . 46 LYS HE3 . 17368 1 501 . 1 1 46 46 LYS C C 13 178.216 0.05 . 1 . 672 . . 46 LYS C . 17368 1 502 . 1 1 46 46 LYS CA C 13 57.783 0.018 . 1 . 670 . . 46 LYS CA . 17368 1 503 . 1 1 46 46 LYS CB C 13 31.713 0.016 . 1 . 671 . . 46 LYS CB . 17368 1 504 . 1 1 46 46 LYS CG C 13 24.564 0.04 . 1 . 862 . . 46 LYS CG . 17368 1 505 . 1 1 46 46 LYS CD C 13 29.057 0.045 . 1 . 861 . . 46 LYS CD . 17368 1 506 . 1 1 46 46 LYS CE C 13 42.161 0.05 . 1 . 860 . . 46 LYS CE . 17368 1 507 . 1 1 46 46 LYS N N 15 127.987 0.018 . 1 . 90 . . 46 LYS N . 17368 1 508 . 1 1 47 47 GLY H H 1 8.913 0.003 . 1 . 662 . . 47 GLY H . 17368 1 509 . 1 1 47 47 GLY HA2 H 1 3.645 0.005 . 2 . 433 . . 47 GLY HA2 . 17368 1 510 . 1 1 47 47 GLY HA3 H 1 4.166 0.005 . 2 . 432 . . 47 GLY HA3 . 17368 1 511 . 1 1 47 47 GLY C C 13 172.960 0.05 . 1 . 431 . . 47 GLY C . 17368 1 512 . 1 1 47 47 GLY CA C 13 45.523 0.008 . 1 . 430 . . 47 GLY CA . 17368 1 513 . 1 1 47 47 GLY N N 15 114.348 0.012 . 1 . 663 . . 47 GLY N . 17368 1 514 . 1 1 48 48 ALA H H 1 7.604 0.002 . 1 . 37 . . 48 ALA H . 17368 1 515 . 1 1 48 48 ALA HA H 1 4.932 0.005 . 1 . 545 . . 48 ALA HA . 17368 1 516 . 1 1 48 48 ALA HB1 H 1 1.455 0.005 . 1 . 543 . . 48 ALA HB1 . 17368 1 517 . 1 1 48 48 ALA HB2 H 1 1.455 0.005 . 1 . 543 . . 48 ALA HB2 . 17368 1 518 . 1 1 48 48 ALA HB3 H 1 1.455 0.005 . 1 . 543 . . 48 ALA HB3 . 17368 1 519 . 1 1 48 48 ALA C C 13 176.256 0.05 . 1 . 544 . . 48 ALA C . 17368 1 520 . 1 1 48 48 ALA CA C 13 49.925 0.008 . 1 . 542 . . 48 ALA CA . 17368 1 521 . 1 1 48 48 ALA CB C 13 20.317 0.03 . 1 . 541 . . 48 ALA CB . 17368 1 522 . 1 1 48 48 ALA N N 15 121.101 0.022 . 1 . 38 . . 48 ALA N . 17368 1 523 . 1 1 49 49 TYR H H 1 8.867 0.002 . 1 . 189 . . 49 TYR H . 17368 1 524 . 1 1 49 49 TYR HA H 1 5.242 0.005 . 1 . 596 . . 49 TYR HA . 17368 1 525 . 1 1 49 49 TYR HB2 H 1 3.193 0.005 . 2 . 597 . . 49 TYR HB2 . 17368 1 526 . 1 1 49 49 TYR HB3 H 1 2.621 0.005 . 2 . 598 . . 49 TYR HB3 . 17368 1 527 . 1 1 49 49 TYR HD1 H 1 6.961 0.004 . 3 . 1081 . . 49 TYR HD1 . 17368 1 528 . 1 1 49 49 TYR HD2 H 1 6.961 0.004 . 3 . 1081 . . 49 TYR HD2 . 17368 1 529 . 1 1 49 49 TYR HE1 H 1 7.150 0.005 . 3 . 1082 . . 49 TYR HE1 . 17368 1 530 . 1 1 49 49 TYR HE2 H 1 7.150 0.005 . 3 . 1082 . . 49 TYR HE2 . 17368 1 531 . 1 1 49 49 TYR C C 13 174.399 0.05 . 1 . 599 . . 49 TYR C . 17368 1 532 . 1 1 49 49 TYR CA C 13 56.820 0.001 . 1 . 594 . . 49 TYR CA . 17368 1 533 . 1 1 49 49 TYR CB C 13 42.435 0.023 . 1 . 595 . . 49 TYR CB . 17368 1 534 . 1 1 49 49 TYR CD1 C 13 132.497 0.05 . 3 . 1083 . . 49 TYR CD1 . 17368 1 535 . 1 1 49 49 TYR CD2 C 13 132.497 0.05 . 3 . 1083 . . 49 TYR CD2 . 17368 1 536 . 1 1 49 49 TYR CE1 C 13 118.759 0.05 . 3 . 1084 . . 49 TYR CE1 . 17368 1 537 . 1 1 49 49 TYR CE2 C 13 118.759 0.05 . 3 . 1084 . . 49 TYR CE2 . 17368 1 538 . 1 1 49 49 TYR N N 15 118.304 0.018 . 1 . 190 . . 49 TYR N . 17368 1 539 . 1 1 50 50 SER H H 1 9.627 0.002 . 1 . 11 . . 50 SER H . 17368 1 540 . 1 1 50 50 SER HA H 1 5.444 0.005 . 1 . 254 . . 50 SER HA . 17368 1 541 . 1 1 50 50 SER HB2 H 1 3.405 0.005 . 2 . 256 . . 50 SER HB2 . 17368 1 542 . 1 1 50 50 SER HB3 H 1 3.588 0.005 . 2 . 255 . . 50 SER HB3 . 17368 1 543 . 1 1 50 50 SER C C 13 172.395 0.05 . 1 . 257 . . 50 SER C . 17368 1 544 . 1 1 50 50 SER CA C 13 57.810 0.009 . 1 . 253 . . 50 SER CA . 17368 1 545 . 1 1 50 50 SER CB C 13 65.746 0.036 . 1 . 252 . . 50 SER CB . 17368 1 546 . 1 1 50 50 SER N N 15 116.633 0.011 . 1 . 12 . . 50 SER N . 17368 1 547 . 1 1 51 51 LEU H H 1 9.480 0.003 . 1 . 23 . . 51 LEU H . 17368 1 548 . 1 1 51 51 LEU HA H 1 5.188 0.003 . 1 . 308 . . 51 LEU HA . 17368 1 549 . 1 1 51 51 LEU HB2 H 1 1.279 0.001 . 2 . 307 . . 51 LEU HB2 . 17368 1 550 . 1 1 51 51 LEU HB3 H 1 1.983 0.005 . 2 . 309 . . 51 LEU HB3 . 17368 1 551 . 1 1 51 51 LEU HG H 1 1.511 0.011 . 1 . 901 . . 51 LEU HG . 17368 1 552 . 1 1 51 51 LEU HD11 H 1 0.715 0.012 . 2 . 900 . . 51 LEU HD11 . 17368 1 553 . 1 1 51 51 LEU HD12 H 1 0.715 0.012 . 2 . 900 . . 51 LEU HD12 . 17368 1 554 . 1 1 51 51 LEU HD13 H 1 0.715 0.012 . 2 . 900 . . 51 LEU HD13 . 17368 1 555 . 1 1 51 51 LEU HD21 H 1 0.450 0.005 . 2 . 902 . . 51 LEU HD21 . 17368 1 556 . 1 1 51 51 LEU HD22 H 1 0.450 0.005 . 2 . 902 . . 51 LEU HD22 . 17368 1 557 . 1 1 51 51 LEU HD23 H 1 0.450 0.005 . 2 . 902 . . 51 LEU HD23 . 17368 1 558 . 1 1 51 51 LEU C C 13 174.843 0.05 . 1 . 310 . . 51 LEU C . 17368 1 559 . 1 1 51 51 LEU CA C 13 53.458 0.007 . 1 . 305 . . 51 LEU CA . 17368 1 560 . 1 1 51 51 LEU CB C 13 44.089 0.012 . 1 . 306 . . 51 LEU CB . 17368 1 561 . 1 1 51 51 LEU CG C 13 27.792 0.05 . 1 . 929 . . 51 LEU CG . 17368 1 562 . 1 1 51 51 LEU CD1 C 13 23.869 0.046 . 2 . 898 . . 51 LEU CD1 . 17368 1 563 . 1 1 51 51 LEU CD2 C 13 27.486 0.05 . 2 . 899 . . 51 LEU CD2 . 17368 1 564 . 1 1 51 51 LEU N N 15 128.759 0.012 . 1 . 24 . . 51 LEU N . 17368 1 565 . 1 1 52 52 SER H H 1 9.098 0.003 . 1 . 185 . . 52 SER H . 17368 1 566 . 1 1 52 52 SER HA H 1 5.366 0.005 . 1 . 350 . . 52 SER HA . 17368 1 567 . 1 1 52 52 SER HB2 H 1 3.391 0.005 . 2 . 351 . . 52 SER HB2 . 17368 1 568 . 1 1 52 52 SER HB3 H 1 3.336 0.005 . 2 . 352 . . 52 SER HB3 . 17368 1 569 . 1 1 52 52 SER C C 13 172.550 0.05 . 1 . 353 . . 52 SER C . 17368 1 570 . 1 1 52 52 SER CA C 13 58.531 0.008 . 1 . 349 . . 52 SER CA . 17368 1 571 . 1 1 52 52 SER CB C 13 65.149 0.029 . 1 . 348 . . 52 SER CB . 17368 1 572 . 1 1 52 52 SER N N 15 125.801 0.03 . 1 . 186 . . 52 SER N . 17368 1 573 . 1 1 53 53 ILE H H 1 9.018 0.004 . 1 . 53 . . 53 ILE H . 17368 1 574 . 1 1 53 53 ILE HA H 1 4.813 0.01 . 1 . 281 . . 53 ILE HA . 17368 1 575 . 1 1 53 53 ILE HB H 1 1.426 0.004 . 1 . 282 . . 53 ILE HB . 17368 1 576 . 1 1 53 53 ILE HG21 H 1 0.685 0.001 . 1 . 983 . . 53 ILE HG21 . 17368 1 577 . 1 1 53 53 ILE HG22 H 1 0.685 0.001 . 1 . 983 . . 53 ILE HG22 . 17368 1 578 . 1 1 53 53 ILE HG23 H 1 0.685 0.001 . 1 . 983 . . 53 ILE HG23 . 17368 1 579 . 1 1 53 53 ILE HD11 H 1 0.766 0.007 . 1 . 984 . . 53 ILE HD11 . 17368 1 580 . 1 1 53 53 ILE HD12 H 1 0.766 0.007 . 1 . 984 . . 53 ILE HD12 . 17368 1 581 . 1 1 53 53 ILE HD13 H 1 0.766 0.007 . 1 . 984 . . 53 ILE HD13 . 17368 1 582 . 1 1 53 53 ILE C C 13 174.391 0.05 . 1 . 283 . . 53 ILE C . 17368 1 583 . 1 1 53 53 ILE CA C 13 59.735 0.013 . 1 . 279 . . 53 ILE CA . 17368 1 584 . 1 1 53 53 ILE CB C 13 44.036 0.025 . 1 . 280 . . 53 ILE CB . 17368 1 585 . 1 1 53 53 ILE CG1 C 13 27.365 0.05 . 1 . 980 . . 53 ILE CG1 . 17368 1 586 . 1 1 53 53 ILE CG2 C 13 17.032 0.011 . 1 . 981 . . 53 ILE CG2 . 17368 1 587 . 1 1 53 53 ILE CD1 C 13 16.227 0.059 . 1 . 982 . . 53 ILE CD1 . 17368 1 588 . 1 1 53 53 ILE N N 15 123.161 0.017 . 1 . 54 . . 53 ILE N . 17368 1 589 . 1 1 54 54 ARG H H 1 8.959 0.003 . 1 . 207 . . 54 ARG H . 17368 1 590 . 1 1 54 54 ARG HA H 1 4.390 0.005 . 1 . 225 . . 54 ARG HA . 17368 1 591 . 1 1 54 54 ARG HB2 H 1 1.366 0.005 . 2 . 227 . . 54 ARG HB2 . 17368 1 592 . 1 1 54 54 ARG HB3 H 1 1.995 0.005 . 2 . 226 . . 54 ARG HB3 . 17368 1 593 . 1 1 54 54 ARG HG2 H 1 1.662 0.005 . 2 . 839 . . 54 ARG HG2 . 17368 1 594 . 1 1 54 54 ARG HG3 H 1 1.340 0.005 . 2 . 840 . . 54 ARG HG3 . 17368 1 595 . 1 1 54 54 ARG HD2 H 1 3.221 0.005 . 2 . 838 . . 54 ARG HD2 . 17368 1 596 . 1 1 54 54 ARG HD3 H 1 2.839 0.005 . 2 . 837 . . 54 ARG HD3 . 17368 1 597 . 1 1 54 54 ARG C C 13 172.690 0.05 . 1 . 228 . . 54 ARG C . 17368 1 598 . 1 1 54 54 ARG CA C 13 56.437 0.024 . 1 . 223 . . 54 ARG CA . 17368 1 599 . 1 1 54 54 ARG CB C 13 31.862 0.028 . 1 . 224 . . 54 ARG CB . 17368 1 600 . 1 1 54 54 ARG CG C 13 28.231 0.014 . 1 . 836 . . 54 ARG CG . 17368 1 601 . 1 1 54 54 ARG CD C 13 43.968 0.061 . 1 . 835 . . 54 ARG CD . 17368 1 602 . 1 1 54 54 ARG N N 15 127.003 0.009 . 1 . 208 . . 54 ARG N . 17368 1 603 . 1 1 55 55 ASP H H 1 9.165 0.004 . 1 . 57 . . 55 ASP H . 17368 1 604 . 1 1 55 55 ASP HA H 1 5.345 0.005 . 1 . 418 . . 55 ASP HA . 17368 1 605 . 1 1 55 55 ASP HB2 H 1 2.353 0.005 . 2 . 419 . . 55 ASP HB2 . 17368 1 606 . 1 1 55 55 ASP HB3 H 1 1.756 0.005 . 2 . 420 . . 55 ASP HB3 . 17368 1 607 . 1 1 55 55 ASP C C 13 174.675 0.05 . 1 . 417 . . 55 ASP C . 17368 1 608 . 1 1 55 55 ASP CA C 13 51.916 0.016 . 1 . 415 . . 55 ASP CA . 17368 1 609 . 1 1 55 55 ASP CB C 13 45.199 0.02 . 1 . 416 . . 55 ASP CB . 17368 1 610 . 1 1 55 55 ASP N N 15 130.080 0.014 . 1 . 58 . . 55 ASP N . 17368 1 611 . 1 1 56 56 TRP H H 1 8.501 0.003 . 1 . 132 . . 56 TRP H . 17368 1 612 . 1 1 56 56 TRP HA H 1 4.901 0.005 . 1 . 365 . . 56 TRP HA . 17368 1 613 . 1 1 56 56 TRP HB2 H 1 3.266 0.005 . 2 . 362 . . 56 TRP HB2 . 17368 1 614 . 1 1 56 56 TRP HB3 H 1 2.787 0.005 . 2 . 363 . . 56 TRP HB3 . 17368 1 615 . 1 1 56 56 TRP HD1 H 1 7.371 0.001 . 1 . 1070 . . 56 TRP HD1 . 17368 1 616 . 1 1 56 56 TRP HE1 H 1 10.267 0.001 . 1 . 61 . . 56 TRP HE1 . 17368 1 617 . 1 1 56 56 TRP HE3 H 1 7.289 0.001 . 1 . 1111 . . 56 TRP HE3 . 17368 1 618 . 1 1 56 56 TRP HZ2 H 1 7.428 0.002 . 1 . 1071 . . 56 TRP HZ2 . 17368 1 619 . 1 1 56 56 TRP HZ3 H 1 7.067 0.002 . 1 . 1075 . . 56 TRP HZ3 . 17368 1 620 . 1 1 56 56 TRP HH2 H 1 7.200 0.003 . 1 . 1073 . . 56 TRP HH2 . 17368 1 621 . 1 1 56 56 TRP C C 13 174.934 0.05 . 1 . 364 . . 56 TRP C . 17368 1 622 . 1 1 56 56 TRP CA C 13 57.854 0.007 . 1 . 360 . . 56 TRP CA . 17368 1 623 . 1 1 56 56 TRP CB C 13 33.053 0.012 . 1 . 361 . . 56 TRP CB . 17368 1 624 . 1 1 56 56 TRP CD1 C 13 127.168 0.05 . 1 . 1110 . . 56 TRP CD1 . 17368 1 625 . 1 1 56 56 TRP CE3 C 13 120.540 0.05 . 1 . 1112 . . 56 TRP CE3 . 17368 1 626 . 1 1 56 56 TRP CZ2 C 13 114.583 0.05 . 1 . 1072 . . 56 TRP CZ2 . 17368 1 627 . 1 1 56 56 TRP CZ3 C 13 122.058 0.05 . 1 . 1076 . . 56 TRP CZ3 . 17368 1 628 . 1 1 56 56 TRP CH2 C 13 124.476 0.05 . 1 . 1074 . . 56 TRP CH2 . 17368 1 629 . 1 1 56 56 TRP N N 15 121.261 0.016 . 1 . 133 . . 56 TRP N . 17368 1 630 . 1 1 56 56 TRP NE1 N 15 130.368 0.003 . 1 . 62 . . 56 TRP NE1 . 17368 1 631 . 1 1 57 57 ASP H H 1 6.771 0.002 . 1 . 3 . . 57 ASP H . 17368 1 632 . 1 1 57 57 ASP HA H 1 3.925 0.005 . 1 . 637 . . 57 ASP HA . 17368 1 633 . 1 1 57 57 ASP HB2 H 1 2.550 0.005 . 2 . 639 . . 57 ASP HB2 . 17368 1 634 . 1 1 57 57 ASP HB3 H 1 2.762 0.005 . 2 . 638 . . 57 ASP HB3 . 17368 1 635 . 1 1 57 57 ASP C C 13 173.902 0.05 . 1 . 636 . . 57 ASP C . 17368 1 636 . 1 1 57 57 ASP CA C 13 53.468 0.018 . 1 . 634 . . 57 ASP CA . 17368 1 637 . 1 1 57 57 ASP CB C 13 43.512 0.002 . 1 . 635 . . 57 ASP CB . 17368 1 638 . 1 1 57 57 ASP N N 15 123.032 0.011 . 1 . 4 . . 57 ASP N . 17368 1 639 . 1 1 58 58 ASP H H 1 7.892 0.001 . 1 . 63 . . 58 ASP H . 17368 1 640 . 1 1 58 58 ASP HA H 1 3.861 0.005 . 1 . 531 . . 58 ASP HA . 17368 1 641 . 1 1 58 58 ASP HB2 H 1 2.561 0.005 . 2 . 533 . . 58 ASP HB2 . 17368 1 642 . 1 1 58 58 ASP HB3 H 1 2.688 0.005 . 2 . 532 . . 58 ASP HB3 . 17368 1 643 . 1 1 58 58 ASP C C 13 176.290 0.05 . 1 . 534 . . 58 ASP C . 17368 1 644 . 1 1 58 58 ASP CA C 13 55.649 0.026 . 1 . 529 . . 58 ASP CA . 17368 1 645 . 1 1 58 58 ASP CB C 13 40.615 0.014 . 1 . 530 . . 58 ASP CB . 17368 1 646 . 1 1 58 58 ASP N N 15 115.608 0.024 . 1 . 64 . . 58 ASP N . 17368 1 647 . 1 1 59 59 MET H H 1 8.155 0.002 . 1 . 128 . . 59 MET H . 17368 1 648 . 1 1 59 59 MET HA H 1 4.383 0.008 . 1 . 515 . . 59 MET HA . 17368 1 649 . 1 1 59 59 MET HB2 H 1 1.894 0.005 . 1 . 986 . . 59 MET HB2 . 17368 1 650 . 1 1 59 59 MET HB3 H 1 1.894 0.005 . 1 . 516 . . 59 MET HB3 . 17368 1 651 . 1 1 59 59 MET HG2 H 1 2.486 0.002 . 2 . 988 . . 59 MET HG2 . 17368 1 652 . 1 1 59 59 MET HG3 H 1 2.380 0.005 . 2 . 987 . . 59 MET HG3 . 17368 1 653 . 1 1 59 59 MET HE1 H 1 1.964 0.005 . 1 . 1185 . . 59 MET HE1 . 17368 1 654 . 1 1 59 59 MET HE2 H 1 1.964 0.005 . 1 . 1185 . . 59 MET HE2 . 17368 1 655 . 1 1 59 59 MET HE3 H 1 1.964 0.005 . 1 . 1185 . . 59 MET HE3 . 17368 1 656 . 1 1 59 59 MET C C 13 177.616 0.05 . 1 . 517 . . 59 MET C . 17368 1 657 . 1 1 59 59 MET CA C 13 56.720 0.074 . 1 . 518 . . 59 MET CA . 17368 1 658 . 1 1 59 59 MET CB C 13 33.617 0.036 . 1 . 761 . . 59 MET CB . 17368 1 659 . 1 1 59 59 MET CG C 13 32.129 0.011 . 1 . 985 . . 59 MET CG . 17368 1 660 . 1 1 59 59 MET CE C 13 17.568 0.05 . 1 . 1184 . . 59 MET CE . 17368 1 661 . 1 1 59 59 MET N N 15 118.766 0.014 . 1 . 129 . . 59 MET N . 17368 1 662 . 1 1 60 60 LYS H H 1 9.179 0.003 . 1 . 5 . . 60 LYS H . 17368 1 663 . 1 1 60 60 LYS HA H 1 4.071 0.003 . 1 . 714 . . 60 LYS HA . 17368 1 664 . 1 1 60 60 LYS HB2 H 1 1.122 0.005 . 2 . 716 . . 60 LYS HB2 . 17368 1 665 . 1 1 60 60 LYS HB3 H 1 1.266 0.005 . 2 . 715 . . 60 LYS HB3 . 17368 1 666 . 1 1 60 60 LYS HG2 H 1 1.079 0.005 . 1 . 989 . . 60 LYS HG2 . 17368 1 667 . 1 1 60 60 LYS HG3 H 1 1.079 0.005 . 1 . 871 . . 60 LYS HG3 . 17368 1 668 . 1 1 60 60 LYS HD2 H 1 1.120 0.005 . 2 . 872 . . 60 LYS HD2 . 17368 1 669 . 1 1 60 60 LYS HD3 H 1 1.014 0.005 . 2 . 873 . . 60 LYS HD3 . 17368 1 670 . 1 1 60 60 LYS HE2 H 1 2.431 0.005 . 2 . 870 . . 60 LYS HE2 . 17368 1 671 . 1 1 60 60 LYS HE3 H 1 2.573 0.005 . 2 . 869 . . 60 LYS HE3 . 17368 1 672 . 1 1 60 60 LYS C C 13 177.410 0.05 . 1 . 713 . . 60 LYS C . 17368 1 673 . 1 1 60 60 LYS CA C 13 56.187 0.028 . 1 . 712 . . 60 LYS CA . 17368 1 674 . 1 1 60 60 LYS CB C 13 33.488 0.034 . 1 . 711 . . 60 LYS CB . 17368 1 675 . 1 1 60 60 LYS CG C 13 24.614 0.004 . 1 . 868 . . 60 LYS CG . 17368 1 676 . 1 1 60 60 LYS CD C 13 28.566 0.024 . 1 . 867 . . 60 LYS CD . 17368 1 677 . 1 1 60 60 LYS CE C 13 41.370 0.034 . 1 . 866 . . 60 LYS CE . 17368 1 678 . 1 1 60 60 LYS N N 15 119.071 0.021 . 1 . 6 . . 60 LYS N . 17368 1 679 . 1 1 61 61 GLY H H 1 7.482 0.003 . 1 . 9 . . 61 GLY H . 17368 1 680 . 1 1 61 61 GLY HA2 H 1 3.972 0.005 . 2 . 285 . . 61 GLY HA2 . 17368 1 681 . 1 1 61 61 GLY HA3 H 1 3.235 0.005 . 2 . 286 . . 61 GLY HA3 . 17368 1 682 . 1 1 61 61 GLY C C 13 175.400 0.05 . 1 . 287 . . 61 GLY C . 17368 1 683 . 1 1 61 61 GLY CA C 13 45.133 0.01 . 1 . 284 . . 61 GLY CA . 17368 1 684 . 1 1 61 61 GLY N N 15 108.891 0.023 . 1 . 10 . . 61 GLY N . 17368 1 685 . 1 1 62 62 ASP H H 1 8.831 0.002 . 1 . 151 . . 62 ASP H . 17368 1 686 . 1 1 62 62 ASP HA H 1 5.122 0.005 . 1 . 471 . . 62 ASP HA . 17368 1 687 . 1 1 62 62 ASP HB2 H 1 2.724 0.005 . 2 . 473 . . 62 ASP HB2 . 17368 1 688 . 1 1 62 62 ASP HB3 H 1 2.410 0.005 . 2 . 472 . . 62 ASP HB3 . 17368 1 689 . 1 1 62 62 ASP C C 13 175.223 0.05 . 1 . 474 . . 62 ASP C . 17368 1 690 . 1 1 62 62 ASP CA C 13 55.532 0.001 . 1 . 475 . . 62 ASP CA . 17368 1 691 . 1 1 62 62 ASP CB C 13 41.653 0.027 . 1 . 470 . . 62 ASP CB . 17368 1 692 . 1 1 62 62 ASP N N 15 126.891 0.01 . 1 . 152 . . 62 ASP N . 17368 1 693 . 1 1 63 63 HIS H H 1 8.527 0.002 . 1 . 65 . . 63 HIS H . 17368 1 694 . 1 1 63 63 HIS HA H 1 4.738 0.005 . 1 . 456 . . 63 HIS HA . 17368 1 695 . 1 1 63 63 HIS HB2 H 1 2.972 0.005 . 2 . 458 . . 63 HIS HB2 . 17368 1 696 . 1 1 63 63 HIS HB3 H 1 3.161 0.005 . 2 . 457 . . 63 HIS HB3 . 17368 1 697 . 1 1 63 63 HIS HD2 H 1 6.557 0.003 . 1 . 1106 . . 63 HIS HD2 . 17368 1 698 . 1 1 63 63 HIS C C 13 171.035 0.05 . 1 . 455 . . 63 HIS C . 17368 1 699 . 1 1 63 63 HIS CA C 13 55.894 0.027 . 1 . 453 . . 63 HIS CA . 17368 1 700 . 1 1 63 63 HIS CB C 13 29.646 0.039 . 1 . 454 . . 63 HIS CB . 17368 1 701 . 1 1 63 63 HIS CD2 C 13 127.368 0.05 . 1 . 1107 . . 63 HIS CD2 . 17368 1 702 . 1 1 63 63 HIS N N 15 119.946 0.023 . 1 . 66 . . 63 HIS N . 17368 1 703 . 1 1 64 64 VAL H H 1 8.637 0.004 . 1 . 141 . . 64 VAL H . 17368 1 704 . 1 1 64 64 VAL HA H 1 4.804 0.005 . 1 . 291 . . 64 VAL HA . 17368 1 705 . 1 1 64 64 VAL HB H 1 1.599 0.003 . 1 . 290 . . 64 VAL HB . 17368 1 706 . 1 1 64 64 VAL HG11 H 1 0.200 0.005 . 2 . 992 . . 64 VAL HG11 . 17368 1 707 . 1 1 64 64 VAL HG12 H 1 0.200 0.005 . 2 . 992 . . 64 VAL HG12 . 17368 1 708 . 1 1 64 64 VAL HG13 H 1 0.200 0.005 . 2 . 992 . . 64 VAL HG13 . 17368 1 709 . 1 1 64 64 VAL HG21 H 1 0.775 0.005 . 2 . 993 . . 64 VAL HG21 . 17368 1 710 . 1 1 64 64 VAL HG22 H 1 0.775 0.005 . 2 . 993 . . 64 VAL HG22 . 17368 1 711 . 1 1 64 64 VAL HG23 H 1 0.775 0.005 . 2 . 993 . . 64 VAL HG23 . 17368 1 712 . 1 1 64 64 VAL C C 13 174.899 0.05 . 1 . 292 . . 64 VAL C . 17368 1 713 . 1 1 64 64 VAL CA C 13 60.277 0.014 . 1 . 288 . . 64 VAL CA . 17368 1 714 . 1 1 64 64 VAL CB C 13 34.898 0.008 . 1 . 289 . . 64 VAL CB . 17368 1 715 . 1 1 64 64 VAL CG1 C 13 22.056 0.075 . 2 . 990 . . 64 VAL CG1 . 17368 1 716 . 1 1 64 64 VAL CG2 C 13 22.956 0.045 . 2 . 991 . . 64 VAL CG2 . 17368 1 717 . 1 1 64 64 VAL N N 15 120.027 0.021 . 1 . 142 . . 64 VAL N . 17368 1 718 . 1 1 65 65 LYS H H 1 8.610 0.005 . 1 . 19 . . 65 LYS H . 17368 1 719 . 1 1 65 65 LYS HA H 1 4.447 0.004 . 1 . 536 . . 65 LYS HA . 17368 1 720 . 1 1 65 65 LYS HB2 H 1 1.501 0.005 . 2 . 537 . . 65 LYS HB2 . 17368 1 721 . 1 1 65 65 LYS HB3 H 1 1.665 0.005 . 2 . 538 . . 65 LYS HB3 . 17368 1 722 . 1 1 65 65 LYS HG2 H 1 1.360 0.005 . 1 . 995 . . 65 LYS HG2 . 17368 1 723 . 1 1 65 65 LYS HG3 H 1 1.360 0.005 . 1 . 878 . . 65 LYS HG3 . 17368 1 724 . 1 1 65 65 LYS HD2 H 1 1.743 0.005 . 1 . 877 . . 65 LYS HD2 . 17368 1 725 . 1 1 65 65 LYS HD3 H 1 1.743 0.005 . 1 . 994 . . 65 LYS HD3 . 17368 1 726 . 1 1 65 65 LYS C C 13 173.972 0.05 . 1 . 539 . . 65 LYS C . 17368 1 727 . 1 1 65 65 LYS CA C 13 54.796 0.025 . 1 . 540 . . 65 LYS CA . 17368 1 728 . 1 1 65 65 LYS CB C 13 37.222 0.037 . 1 . 535 . . 65 LYS CB . 17368 1 729 . 1 1 65 65 LYS CG C 13 26.436 0.052 . 1 . 874 . . 65 LYS CG . 17368 1 730 . 1 1 65 65 LYS CD C 13 29.785 0.052 . 1 . 875 . . 65 LYS CD . 17368 1 731 . 1 1 65 65 LYS CE C 13 42.239 0.05 . 1 . 876 . . 65 LYS CE . 17368 1 732 . 1 1 65 65 LYS N N 15 126.567 0.011 . 1 . 20 . . 65 LYS N . 17368 1 733 . 1 1 66 66 HIS H H 1 8.251 0.004 . 1 . 179 . . 66 HIS H . 17368 1 734 . 1 1 66 66 HIS HA H 1 5.502 0.005 . 1 . 369 . . 66 HIS HA . 17368 1 735 . 1 1 66 66 HIS HB2 H 1 2.710 0.005 . 1 . 368 . . 66 HIS HB2 . 17368 1 736 . 1 1 66 66 HIS HB3 H 1 2.710 0.005 . 1 . 1128 . . 66 HIS HB3 . 17368 1 737 . 1 1 66 66 HIS HD2 H 1 6.975 0.005 . 1 . 1127 . . 66 HIS HD2 . 17368 1 738 . 1 1 66 66 HIS C C 13 175.594 0.05 . 1 . 370 . . 66 HIS C . 17368 1 739 . 1 1 66 66 HIS CA C 13 54.370 0.032 . 1 . 366 . . 66 HIS CA . 17368 1 740 . 1 1 66 66 HIS CB C 13 33.580 0.02 . 1 . 367 . . 66 HIS CB . 17368 1 741 . 1 1 66 66 HIS CD2 C 13 119.464 0.05 . 1 . 1129 . . 66 HIS CD2 . 17368 1 742 . 1 1 66 66 HIS N N 15 118.622 0.028 . 1 . 180 . . 66 HIS N . 17368 1 743 . 1 1 67 67 TYR H H 1 9.694 0.003 . 1 . 124 . . 67 TYR H . 17368 1 744 . 1 1 67 67 TYR HA H 1 4.687 0.005 . 1 . 313 . . 67 TYR HA . 17368 1 745 . 1 1 67 67 TYR HB2 H 1 2.836 0.005 . 2 . 314 . . 67 TYR HB2 . 17368 1 746 . 1 1 67 67 TYR HB3 H 1 2.759 0.005 . 2 . 315 . . 67 TYR HB3 . 17368 1 747 . 1 1 67 67 TYR HD1 H 1 7.017 0.005 . 3 . 1085 . . 67 TYR HD1 . 17368 1 748 . 1 1 67 67 TYR HD2 H 1 7.017 0.005 . 3 . 1085 . . 67 TYR HD2 . 17368 1 749 . 1 1 67 67 TYR HE1 H 1 6.797 0.005 . 3 . 1086 . . 67 TYR HE1 . 17368 1 750 . 1 1 67 67 TYR HE2 H 1 6.797 0.005 . 3 . 1086 . . 67 TYR HE2 . 17368 1 751 . 1 1 67 67 TYR C C 13 174.850 0.05 . 1 . 316 . . 67 TYR C . 17368 1 752 . 1 1 67 67 TYR CA C 13 56.983 0.006 . 1 . 312 . . 67 TYR CA . 17368 1 753 . 1 1 67 67 TYR CB C 13 41.456 0.024 . 1 . 311 . . 67 TYR CB . 17368 1 754 . 1 1 67 67 TYR CD1 C 13 133.408 0.05 . 3 . 1099 . . 67 TYR CD1 . 17368 1 755 . 1 1 67 67 TYR CD2 C 13 133.408 0.05 . 3 . 1099 . . 67 TYR CD2 . 17368 1 756 . 1 1 67 67 TYR CE1 C 13 118.365 0.05 . 3 . 1100 . . 67 TYR CE1 . 17368 1 757 . 1 1 67 67 TYR CE2 C 13 118.365 0.05 . 3 . 1100 . . 67 TYR CE2 . 17368 1 758 . 1 1 67 67 TYR N N 15 122.825 0.016 . 1 . 125 . . 67 TYR N . 17368 1 759 . 1 1 68 68 LYS H H 1 8.899 0.003 . 1 . 67 . . 68 LYS H . 17368 1 760 . 1 1 68 68 LYS HA H 1 4.658 0.005 . 1 . 272 . . 68 LYS HA . 17368 1 761 . 1 1 68 68 LYS HB2 H 1 1.765 0.005 . 1 . 996 . . 68 LYS HB2 . 17368 1 762 . 1 1 68 68 LYS HB3 H 1 1.765 0.005 . 1 . 273 . . 68 LYS HB3 . 17368 1 763 . 1 1 68 68 LYS HG2 H 1 1.435 0.005 . 1 . 882 . . 68 LYS HG2 . 17368 1 764 . 1 1 68 68 LYS HG3 H 1 1.435 0.005 . 1 . 998 . . 68 LYS HG3 . 17368 1 765 . 1 1 68 68 LYS HD2 H 1 1.471 0.005 . 1 . 883 . . 68 LYS HD2 . 17368 1 766 . 1 1 68 68 LYS HD3 H 1 1.471 0.005 . 1 . 997 . . 68 LYS HD3 . 17368 1 767 . 1 1 68 68 LYS C C 13 175.713 0.05 . 1 . 274 . . 68 LYS C . 17368 1 768 . 1 1 68 68 LYS CA C 13 56.429 0.019 . 1 . 270 . . 68 LYS CA . 17368 1 769 . 1 1 68 68 LYS CB C 13 32.401 0.021 . 1 . 271 . . 68 LYS CB . 17368 1 770 . 1 1 68 68 LYS CG C 13 24.605 0.051 . 1 . 881 . . 68 LYS CG . 17368 1 771 . 1 1 68 68 LYS CD C 13 28.310 0.002 . 1 . 880 . . 68 LYS CD . 17368 1 772 . 1 1 68 68 LYS CE C 13 41.569 0.05 . 1 . 879 . . 68 LYS CE . 17368 1 773 . 1 1 68 68 LYS N N 15 125.009 0.01 . 1 . 68 . . 68 LYS N . 17368 1 774 . 1 1 69 69 ILE H H 1 9.199 0.004 . 1 . 33 . . 69 ILE H . 17368 1 775 . 1 1 69 69 ILE HA H 1 4.402 0.005 . 1 . 296 . . 69 ILE HA . 17368 1 776 . 1 1 69 69 ILE HB H 1 1.801 0.005 . 1 . 297 . . 69 ILE HB . 17368 1 777 . 1 1 69 69 ILE HG12 H 1 0.704 0.005 . 1 . 1005 . . 69 ILE HG12 . 17368 1 778 . 1 1 69 69 ILE HG13 H 1 0.704 0.005 . 1 . 1004 . . 69 ILE HG13 . 17368 1 779 . 1 1 69 69 ILE HG21 H 1 0.903 0.005 . 1 . 1002 . . 69 ILE HG21 . 17368 1 780 . 1 1 69 69 ILE HG22 H 1 0.903 0.005 . 1 . 1002 . . 69 ILE HG22 . 17368 1 781 . 1 1 69 69 ILE HG23 H 1 0.903 0.005 . 1 . 1002 . . 69 ILE HG23 . 17368 1 782 . 1 1 69 69 ILE HD11 H 1 0.726 0.005 . 1 . 1003 . . 69 ILE HD11 . 17368 1 783 . 1 1 69 69 ILE HD12 H 1 0.726 0.005 . 1 . 1003 . . 69 ILE HD12 . 17368 1 784 . 1 1 69 69 ILE HD13 H 1 0.726 0.005 . 1 . 1003 . . 69 ILE HD13 . 17368 1 785 . 1 1 69 69 ILE C C 13 175.429 0.05 . 1 . 298 . . 69 ILE C . 17368 1 786 . 1 1 69 69 ILE CA C 13 60.363 0.012 . 1 . 294 . . 69 ILE CA . 17368 1 787 . 1 1 69 69 ILE CB C 13 39.272 0.053 . 1 . 295 . . 69 ILE CB . 17368 1 788 . 1 1 69 69 ILE CG1 C 13 26.709 0.051 . 1 . 999 . . 69 ILE CG1 . 17368 1 789 . 1 1 69 69 ILE CG2 C 13 18.573 0.009 . 1 . 1000 . . 69 ILE CG2 . 17368 1 790 . 1 1 69 69 ILE CD1 C 13 15.665 0.05 . 1 . 1001 . . 69 ILE CD1 . 17368 1 791 . 1 1 69 69 ILE N N 15 127.412 0.018 . 1 . 34 . . 69 ILE N . 17368 1 792 . 1 1 70 70 ARG H H 1 8.211 0.004 . 1 . 77 . . 70 ARG H . 17368 1 793 . 1 1 70 70 ARG HA H 1 4.647 0.002 . 1 . 488 . . 70 ARG HA . 17368 1 794 . 1 1 70 70 ARG HB2 H 1 0.740 0.005 . 2 . 490 . . 70 ARG HB2 . 17368 1 795 . 1 1 70 70 ARG HB3 H 1 1.593 0.005 . 2 . 489 . . 70 ARG HB3 . 17368 1 796 . 1 1 70 70 ARG HG2 H 1 1.469 0.005 . 1 . 1007 . . 70 ARG HG2 . 17368 1 797 . 1 1 70 70 ARG HG3 H 1 1.469 0.005 . 1 . 844 . . 70 ARG HG3 . 17368 1 798 . 1 1 70 70 ARG HD2 H 1 3.082 0.005 . 1 . 843 . . 70 ARG HD2 . 17368 1 799 . 1 1 70 70 ARG HD3 H 1 3.082 0.005 . 1 . 1006 . . 70 ARG HD3 . 17368 1 800 . 1 1 70 70 ARG C C 13 173.790 0.05 . 1 . 491 . . 70 ARG C . 17368 1 801 . 1 1 70 70 ARG CA C 13 54.274 0.077 . 1 . 322 . . 70 ARG CA . 17368 1 802 . 1 1 70 70 ARG CB C 13 32.976 0.032 . 1 . 487 . . 70 ARG CB . 17368 1 803 . 1 1 70 70 ARG CG C 13 28.889 0.05 . 1 . 842 . . 70 ARG CG . 17368 1 804 . 1 1 70 70 ARG CD C 13 43.352 0.03 . 1 . 841 . . 70 ARG CD . 17368 1 805 . 1 1 70 70 ARG N N 15 126.496 0.011 . 1 . 78 . . 70 ARG N . 17368 1 806 . 1 1 71 71 LYS H H 1 8.481 0.003 . 1 . 21 . . 71 LYS H . 17368 1 807 . 1 1 71 71 LYS HA H 1 4.974 0.004 . 1 . 236 . . 71 LYS HA . 17368 1 808 . 1 1 71 71 LYS HB2 H 1 1.755 0.001 . 2 . 237 . . 71 LYS HB2 . 17368 1 809 . 1 1 71 71 LYS HB3 H 1 1.540 0.002 . 2 . 238 . . 71 LYS HB3 . 17368 1 810 . 1 1 71 71 LYS HG2 H 1 1.227 0.005 . 2 . 887 . . 71 LYS HG2 . 17368 1 811 . 1 1 71 71 LYS HG3 H 1 0.875 0.008 . 2 . 888 . . 71 LYS HG3 . 17368 1 812 . 1 1 71 71 LYS HD2 H 1 1.415 0.005 . 1 . 889 . . 71 LYS HD2 . 17368 1 813 . 1 1 71 71 LYS HD3 H 1 1.415 0.005 . 1 . 1010 . . 71 LYS HD3 . 17368 1 814 . 1 1 71 71 LYS HE2 H 1 2.871 0.006 . 1 . 1009 . . 71 LYS HE2 . 17368 1 815 . 1 1 71 71 LYS HE3 H 1 2.871 0.006 . 1 . 1008 . . 71 LYS HE3 . 17368 1 816 . 1 1 71 71 LYS C C 13 177.488 0.05 . 1 . 239 . . 71 LYS C . 17368 1 817 . 1 1 71 71 LYS CA C 13 54.290 0.033 . 1 . 762 . . 71 LYS CA . 17368 1 818 . 1 1 71 71 LYS CB C 13 35.293 0.057 . 1 . 235 . . 71 LYS CB . 17368 1 819 . 1 1 71 71 LYS CG C 13 24.571 0.027 . 1 . 886 . . 71 LYS CG . 17368 1 820 . 1 1 71 71 LYS CD C 13 28.418 0.074 . 1 . 885 . . 71 LYS CD . 17368 1 821 . 1 1 71 71 LYS CE C 13 42.500 0.079 . 1 . 884 . . 71 LYS CE . 17368 1 822 . 1 1 71 71 LYS N N 15 119.356 0.033 . 1 . 22 . . 71 LYS N . 17368 1 823 . 1 1 72 72 LEU H H 1 8.674 0.005 . 1 . 118 . . 72 LEU H . 17368 1 824 . 1 1 72 72 LEU HA H 1 4.453 0.002 . 1 . 324 . . 72 LEU HA . 17368 1 825 . 1 1 72 72 LEU HB2 H 1 1.498 0.005 . 1 . 325 . . 72 LEU HB2 . 17368 1 826 . 1 1 72 72 LEU HB3 H 1 1.498 0.005 . 1 . 905 . . 72 LEU HB3 . 17368 1 827 . 1 1 72 72 LEU HG H 1 1.637 0.008 . 1 . 906 . . 72 LEU HG . 17368 1 828 . 1 1 72 72 LEU HD11 H 1 0.699 0.004 . 2 . 1206 . . 72 LEU HD11 . 17368 1 829 . 1 1 72 72 LEU HD12 H 1 0.699 0.004 . 2 . 1206 . . 72 LEU HD12 . 17368 1 830 . 1 1 72 72 LEU HD13 H 1 0.699 0.004 . 2 . 1206 . . 72 LEU HD13 . 17368 1 831 . 1 1 72 72 LEU HD21 H 1 0.715 0.001 . 2 . 1207 . . 72 LEU HD21 . 17368 1 832 . 1 1 72 72 LEU HD22 H 1 0.715 0.001 . 2 . 1207 . . 72 LEU HD22 . 17368 1 833 . 1 1 72 72 LEU HD23 H 1 0.715 0.001 . 2 . 1207 . . 72 LEU HD23 . 17368 1 834 . 1 1 72 72 LEU C C 13 178.359 0.05 . 1 . 326 . . 72 LEU C . 17368 1 835 . 1 1 72 72 LEU CA C 13 54.397 0.009 . 1 . 763 . . 72 LEU CA . 17368 1 836 . 1 1 72 72 LEU CB C 13 43.070 0.012 . 1 . 323 . . 72 LEU CB . 17368 1 837 . 1 1 72 72 LEU CG C 13 26.744 0.05 . 1 . 907 . . 72 LEU CG . 17368 1 838 . 1 1 72 72 LEU CD1 C 13 25.119 0.028 . 2 . 904 . . 72 LEU CD1 . 17368 1 839 . 1 1 72 72 LEU CD2 C 13 23.649 0.038 . 2 . 903 . . 72 LEU CD2 . 17368 1 840 . 1 1 72 72 LEU N N 15 129.185 0.012 . 1 . 119 . . 72 LEU N . 17368 1 841 . 1 1 73 73 ASP H H 1 8.819 0.004 . 1 . 145 . . 73 ASP H . 17368 1 842 . 1 1 73 73 ASP HA H 1 4.289 0.005 . 1 . 615 . . 73 ASP HA . 17368 1 843 . 1 1 73 73 ASP HB2 H 1 2.591 0.005 . 1 . 616 . . 73 ASP HB2 . 17368 1 844 . 1 1 73 73 ASP HB3 H 1 2.591 0.005 . 1 . 1011 . . 73 ASP HB3 . 17368 1 845 . 1 1 73 73 ASP C C 13 176.967 0.05 . 1 . 617 . . 73 ASP C . 17368 1 846 . 1 1 73 73 ASP CA C 13 56.889 0.016 . 1 . 613 . . 73 ASP CA . 17368 1 847 . 1 1 73 73 ASP CB C 13 40.184 0.027 . 1 . 614 . . 73 ASP CB . 17368 1 848 . 1 1 73 73 ASP N N 15 124.141 0.011 . 1 . 146 . . 73 ASP N . 17368 1 849 . 1 1 74 74 ASN H H 1 8.283 0.004 . 1 . 158 . . 74 ASN H . 17368 1 850 . 1 1 74 74 ASN HA H 1 4.658 0.005 . 1 . 720 . . 74 ASN HA . 17368 1 851 . 1 1 74 74 ASN HB2 H 1 2.839 0.005 . 2 . 722 . . 74 ASN HB2 . 17368 1 852 . 1 1 74 74 ASN HB3 H 1 2.884 0.005 . 2 . 721 . . 74 ASN HB3 . 17368 1 853 . 1 1 74 74 ASN HD21 H 1 6.826 0.005 . 1 . 204 . . 74 ASN HD21 . 17368 1 854 . 1 1 74 74 ASN HD22 H 1 7.512 0.005 . 1 . 25 . . 74 ASN HD22 . 17368 1 855 . 1 1 74 74 ASN C C 13 175.012 0.05 . 1 . 719 . . 74 ASN C . 17368 1 856 . 1 1 74 74 ASN CA C 13 52.895 0.005 . 1 . 718 . . 74 ASN CA . 17368 1 857 . 1 1 74 74 ASN CB C 13 37.957 0.015 . 1 . 717 . . 74 ASN CB . 17368 1 858 . 1 1 74 74 ASN N N 15 116.092 0.011 . 1 . 159 . . 74 ASN N . 17368 1 859 . 1 1 74 74 ASN ND2 N 15 112.274 0.001 . 1 . 26 . . 74 ASN ND2 . 17368 1 860 . 1 1 75 75 GLY H H 1 7.536 0.002 . 1 . 69 . . 75 GLY H . 17368 1 861 . 1 1 75 75 GLY HA2 H 1 3.977 0.005 . 2 . 698 . . 75 GLY HA2 . 17368 1 862 . 1 1 75 75 GLY HA3 H 1 3.920 0.005 . 2 . 699 . . 75 GLY HA3 . 17368 1 863 . 1 1 75 75 GLY C C 13 173.033 0.05 . 1 . 697 . . 75 GLY C . 17368 1 864 . 1 1 75 75 GLY CA C 13 45.441 0.02 . 1 . 696 . . 75 GLY CA . 17368 1 865 . 1 1 75 75 GLY N N 15 107.841 0.006 . 1 . 70 . . 75 GLY N . 17368 1 866 . 1 1 76 76 GLY H H 1 8.110 0.003 . 1 . 59 . . 76 GLY H . 17368 1 867 . 1 1 76 76 GLY HA2 H 1 3.826 0.005 . 2 . 548 . . 76 GLY HA2 . 17368 1 868 . 1 1 76 76 GLY HA3 H 1 4.275 0.005 . 2 . 547 . . 76 GLY HA3 . 17368 1 869 . 1 1 76 76 GLY C C 13 173.086 0.05 . 1 . 549 . . 76 GLY C . 17368 1 870 . 1 1 76 76 GLY CA C 13 44.433 0.014 . 1 . 546 . . 76 GLY CA . 17368 1 871 . 1 1 76 76 GLY N N 15 109.371 0.013 . 1 . 60 . . 76 GLY N . 17368 1 872 . 1 1 77 77 TYR H H 1 9.308 0.003 . 1 . 35 . . 77 TYR H . 17368 1 873 . 1 1 77 77 TYR HA H 1 5.616 0.005 . 1 . 600 . . 77 TYR HA . 17368 1 874 . 1 1 77 77 TYR HB2 H 1 2.597 0.005 . 2 . 602 . . 77 TYR HB2 . 17368 1 875 . 1 1 77 77 TYR HB3 H 1 2.809 0.005 . 2 . 601 . . 77 TYR HB3 . 17368 1 876 . 1 1 77 77 TYR HD1 H 1 6.897 0.002 . 3 . 1087 . . 77 TYR HD1 . 17368 1 877 . 1 1 77 77 TYR HD2 H 1 6.897 0.002 . 3 . 1087 . . 77 TYR HD2 . 17368 1 878 . 1 1 77 77 TYR HE1 H 1 6.963 0.001 . 3 . 1089 . . 77 TYR HE1 . 17368 1 879 . 1 1 77 77 TYR HE2 H 1 6.963 0.001 . 3 . 1089 . . 77 TYR HE2 . 17368 1 880 . 1 1 77 77 TYR C C 13 176.959 0.05 . 1 . 603 . . 77 TYR C . 17368 1 881 . 1 1 77 77 TYR CA C 13 57.630 0.024 . 1 . 449 . . 77 TYR CA . 17368 1 882 . 1 1 77 77 TYR CB C 13 41.925 0.034 . 1 . 604 . . 77 TYR CB . 17368 1 883 . 1 1 77 77 TYR CD1 C 13 133.032 0.05 . 3 . 1088 . . 77 TYR CD1 . 17368 1 884 . 1 1 77 77 TYR CD2 C 13 133.032 0.05 . 3 . 1088 . . 77 TYR CD2 . 17368 1 885 . 1 1 77 77 TYR CE1 C 13 118.183 0.05 . 3 . 1090 . . 77 TYR CE1 . 17368 1 886 . 1 1 77 77 TYR CE2 C 13 118.183 0.05 . 3 . 1090 . . 77 TYR CE2 . 17368 1 887 . 1 1 77 77 TYR N N 15 117.980 0.023 . 1 . 36 . . 77 TYR N . 17368 1 888 . 1 1 78 78 TYR H H 1 9.205 0.003 . 1 . 162 . . 78 TYR H . 17368 1 889 . 1 1 78 78 TYR HA H 1 5.257 0.005 . 1 . 452 . . 78 TYR HA . 17368 1 890 . 1 1 78 78 TYR HB2 H 1 3.437 0.005 . 2 . 459 . . 78 TYR HB2 . 17368 1 891 . 1 1 78 78 TYR HB3 H 1 2.922 0.005 . 2 . 460 . . 78 TYR HB3 . 17368 1 892 . 1 1 78 78 TYR HD1 H 1 6.705 0.001 . 3 . 1091 . . 78 TYR HD1 . 17368 1 893 . 1 1 78 78 TYR HD2 H 1 6.705 0.001 . 3 . 1091 . . 78 TYR HD2 . 17368 1 894 . 1 1 78 78 TYR HE1 H 1 6.475 0.002 . 3 . 1093 . . 78 TYR HE1 . 17368 1 895 . 1 1 78 78 TYR HE2 H 1 6.475 0.002 . 3 . 1093 . . 78 TYR HE2 . 17368 1 896 . 1 1 78 78 TYR C C 13 172.486 0.05 . 1 . 451 . . 78 TYR C . 17368 1 897 . 1 1 78 78 TYR CA C 13 57.823 0.035 . 1 . 764 . . 78 TYR CA . 17368 1 898 . 1 1 78 78 TYR CB C 13 41.219 0.027 . 1 . 450 . . 78 TYR CB . 17368 1 899 . 1 1 78 78 TYR CD1 C 13 133.507 0.05 . 3 . 1092 . . 78 TYR CD1 . 17368 1 900 . 1 1 78 78 TYR CD2 C 13 133.507 0.05 . 3 . 1092 . . 78 TYR CD2 . 17368 1 901 . 1 1 78 78 TYR CE1 C 13 117.793 0.05 . 3 . 1094 . . 78 TYR CE1 . 17368 1 902 . 1 1 78 78 TYR CE2 C 13 117.793 0.05 . 3 . 1094 . . 78 TYR CE2 . 17368 1 903 . 1 1 78 78 TYR N N 15 116.393 0.009 . 1 . 163 . . 78 TYR N . 17368 1 904 . 1 1 79 79 ILE H H 1 9.831 0.004 . 1 . 43 . . 79 ILE H . 17368 1 905 . 1 1 79 79 ILE HA H 1 4.519 0.005 . 1 . 690 . . 79 ILE HA . 17368 1 906 . 1 1 79 79 ILE HB H 1 1.662 0.005 . 1 . 689 . . 79 ILE HB . 17368 1 907 . 1 1 79 79 ILE HG12 H 1 0.931 0.005 . 2 . 1018 . . 79 ILE HG12 . 17368 1 908 . 1 1 79 79 ILE HG13 H 1 1.590 0.005 . 2 . 1019 . . 79 ILE HG13 . 17368 1 909 . 1 1 79 79 ILE HG21 H 1 0.932 0.005 . 1 . 1016 . . 79 ILE HG21 . 17368 1 910 . 1 1 79 79 ILE HG22 H 1 0.932 0.005 . 1 . 1016 . . 79 ILE HG22 . 17368 1 911 . 1 1 79 79 ILE HG23 H 1 0.932 0.005 . 1 . 1016 . . 79 ILE HG23 . 17368 1 912 . 1 1 79 79 ILE HD11 H 1 0.396 0.003 . 1 . 1017 . . 79 ILE HD11 . 17368 1 913 . 1 1 79 79 ILE HD12 H 1 0.396 0.003 . 1 . 1017 . . 79 ILE HD12 . 17368 1 914 . 1 1 79 79 ILE HD13 H 1 0.396 0.003 . 1 . 1017 . . 79 ILE HD13 . 17368 1 915 . 1 1 79 79 ILE C C 13 177.199 0.05 . 1 . 688 . . 79 ILE C . 17368 1 916 . 1 1 79 79 ILE CA C 13 63.128 0.075 . 1 . 687 . . 79 ILE CA . 17368 1 917 . 1 1 79 79 ILE CB C 13 40.600 0.015 . 1 . 1015 . . 79 ILE CB . 17368 1 918 . 1 1 79 79 ILE CG1 C 13 29.264 0.045 . 1 . 1012 . . 79 ILE CG1 . 17368 1 919 . 1 1 79 79 ILE CG2 C 13 17.211 0.057 . 1 . 1013 . . 79 ILE CG2 . 17368 1 920 . 1 1 79 79 ILE CD1 C 13 14.506 0.05 . 1 . 1014 . . 79 ILE CD1 . 17368 1 921 . 1 1 79 79 ILE N N 15 120.349 0.034 . 1 . 44 . . 79 ILE N . 17368 1 922 . 1 1 80 80 THR H H 1 8.977 0.005 . 1 . 93 . . 80 THR H . 17368 1 923 . 1 1 80 80 THR HA H 1 5.096 0.003 . 1 . 694 . . 80 THR HA . 17368 1 924 . 1 1 80 80 THR HB H 1 4.588 0.005 . 1 . 695 . . 80 THR HB . 17368 1 925 . 1 1 80 80 THR HG21 H 1 1.388 0.005 . 1 . 1021 . . 80 THR HG21 . 17368 1 926 . 1 1 80 80 THR HG22 H 1 1.388 0.005 . 1 . 1021 . . 80 THR HG22 . 17368 1 927 . 1 1 80 80 THR HG23 H 1 1.388 0.005 . 1 . 1021 . . 80 THR HG23 . 17368 1 928 . 1 1 80 80 THR C C 13 174.738 0.05 . 1 . 693 . . 80 THR C . 17368 1 929 . 1 1 80 80 THR CA C 13 58.961 0.014 . 1 . 691 . . 80 THR CA . 17368 1 930 . 1 1 80 80 THR CB C 13 70.769 0.037 . 1 . 692 . . 80 THR CB . 17368 1 931 . 1 1 80 80 THR CG2 C 13 20.906 0.05 . 1 . 1020 . . 80 THR CG2 . 17368 1 932 . 1 1 80 80 THR N N 15 113.580 0.042 . 1 . 94 . . 80 THR N . 17368 1 933 . 1 1 81 81 THR H H 1 8.573 0.004 . 1 . 160 . . 81 THR H . 17368 1 934 . 1 1 81 81 THR HA H 1 3.644 0.005 . 1 . 565 . . 81 THR HA . 17368 1 935 . 1 1 81 81 THR HB H 1 4.195 0.005 . 1 . 564 . . 81 THR HB . 17368 1 936 . 1 1 81 81 THR HG21 H 1 1.028 0.005 . 1 . 1023 . . 81 THR HG21 . 17368 1 937 . 1 1 81 81 THR HG22 H 1 1.028 0.005 . 1 . 1023 . . 81 THR HG22 . 17368 1 938 . 1 1 81 81 THR HG23 H 1 1.028 0.005 . 1 . 1023 . . 81 THR HG23 . 17368 1 939 . 1 1 81 81 THR C C 13 175.438 0.05 . 1 . 566 . . 81 THR C . 17368 1 940 . 1 1 81 81 THR CA C 13 64.080 0.065 . 1 . 563 . . 81 THR CA . 17368 1 941 . 1 1 81 81 THR CB C 13 68.622 0.026 . 1 . 562 . . 81 THR CB . 17368 1 942 . 1 1 81 81 THR CG2 C 13 21.888 0.05 . 1 . 1022 . . 81 THR CG2 . 17368 1 943 . 1 1 81 81 THR N N 15 113.190 0.056 . 1 . 161 . . 81 THR N . 17368 1 944 . 1 1 82 82 ARG H H 1 7.834 0.003 . 1 . 209 . . 82 ARG H . 17368 1 945 . 1 1 82 82 ARG HA H 1 4.135 0.002 . 1 . 380 . . 82 ARG HA . 17368 1 946 . 1 1 82 82 ARG HB2 H 1 1.735 0.005 . 2 . 382 . . 82 ARG HB2 . 17368 1 947 . 1 1 82 82 ARG HB3 H 1 1.919 0.005 . 2 . 381 . . 82 ARG HB3 . 17368 1 948 . 1 1 82 82 ARG HG2 H 1 1.643 0.005 . 1 . 848 . . 82 ARG HG2 . 17368 1 949 . 1 1 82 82 ARG HG3 H 1 1.643 0.005 . 1 . 1025 . . 82 ARG HG3 . 17368 1 950 . 1 1 82 82 ARG HD2 H 1 3.169 0.005 . 1 . 1024 . . 82 ARG HD2 . 17368 1 951 . 1 1 82 82 ARG HD3 H 1 3.169 0.005 . 1 . 847 . . 82 ARG HD3 . 17368 1 952 . 1 1 82 82 ARG C C 13 175.540 0.05 . 1 . 379 . . 82 ARG C . 17368 1 953 . 1 1 82 82 ARG CA C 13 56.972 0.056 . 1 . 377 . . 82 ARG CA . 17368 1 954 . 1 1 82 82 ARG CB C 13 30.574 0.029 . 1 . 378 . . 82 ARG CB . 17368 1 955 . 1 1 82 82 ARG CG C 13 27.238 0.051 . 1 . 846 . . 82 ARG CG . 17368 1 956 . 1 1 82 82 ARG CD C 13 43.140 0.05 . 1 . 845 . . 82 ARG CD . 17368 1 957 . 1 1 82 82 ARG N N 15 117.758 0.019 . 1 . 210 . . 82 ARG N . 17368 1 958 . 1 1 83 83 ALA H H 1 7.493 0.004 . 1 . 211 . . 83 ALA H . 17368 1 959 . 1 1 83 83 ALA HA H 1 4.314 0.005 . 1 . 521 . . 83 ALA HA . 17368 1 960 . 1 1 83 83 ALA HB1 H 1 1.011 0.005 . 1 . 522 . . 83 ALA HB1 . 17368 1 961 . 1 1 83 83 ALA HB2 H 1 1.011 0.005 . 1 . 522 . . 83 ALA HB2 . 17368 1 962 . 1 1 83 83 ALA HB3 H 1 1.011 0.005 . 1 . 522 . . 83 ALA HB3 . 17368 1 963 . 1 1 83 83 ALA C C 13 173.267 0.05 . 1 . 523 . . 83 ALA C . 17368 1 964 . 1 1 83 83 ALA CA C 13 51.809 0.003 . 1 . 519 . . 83 ALA CA . 17368 1 965 . 1 1 83 83 ALA CB C 13 20.528 0.038 . 1 . 520 . . 83 ALA CB . 17368 1 966 . 1 1 83 83 ALA N N 15 122.758 0.011 . 1 . 212 . . 83 ALA N . 17368 1 967 . 1 1 84 84 GLN H H 1 7.699 0.003 . 1 . 41 . . 84 GLN H . 17368 1 968 . 1 1 84 84 GLN HA H 1 5.078 0.01 . 1 . 552 . . 84 GLN HA . 17368 1 969 . 1 1 84 84 GLN HB2 H 1 1.638 0.005 . 2 . 554 . . 84 GLN HB2 . 17368 1 970 . 1 1 84 84 GLN HB3 H 1 1.739 0.005 . 2 . 553 . . 84 GLN HB3 . 17368 1 971 . 1 1 84 84 GLN HG2 H 1 1.955 0.003 . 1 . 1028 . . 84 GLN HG2 . 17368 1 972 . 1 1 84 84 GLN HG3 H 1 1.955 0.003 . 1 . 1027 . . 84 GLN HG3 . 17368 1 973 . 1 1 84 84 GLN HE21 H 1 7.294 0.005 . 1 . 51 . . 84 GLN HE21 . 17368 1 974 . 1 1 84 84 GLN HE22 H 1 6.513 0.005 . 1 . 111 . . 84 GLN HE22 . 17368 1 975 . 1 1 84 84 GLN C C 13 175.011 0.05 . 1 . 555 . . 84 GLN C . 17368 1 976 . 1 1 84 84 GLN CA C 13 53.403 0.059 . 1 . 550 . . 84 GLN CA . 17368 1 977 . 1 1 84 84 GLN CB C 13 31.628 0.009 . 1 . 551 . . 84 GLN CB . 17368 1 978 . 1 1 84 84 GLN CG C 13 33.108 0.05 . 1 . 1026 . . 84 GLN CG . 17368 1 979 . 1 1 84 84 GLN N N 15 118.913 0.021 . 1 . 42 . . 84 GLN N . 17368 1 980 . 1 1 84 84 GLN NE2 N 15 111.083 0.004 . 1 . 52 . . 84 GLN NE2 . 17368 1 981 . 1 1 85 85 PHE H H 1 9.218 0.004 . 1 . 91 . . 85 PHE H . 17368 1 982 . 1 1 85 85 PHE HA H 1 4.910 0.005 . 1 . 406 . . 85 PHE HA . 17368 1 983 . 1 1 85 85 PHE HB2 H 1 3.401 0.005 . 2 . 404 . . 85 PHE HB2 . 17368 1 984 . 1 1 85 85 PHE HB3 H 1 2.613 0.005 . 2 . 405 . . 85 PHE HB3 . 17368 1 985 . 1 1 85 85 PHE HD1 H 1 7.170 0.002 . 3 . 1103 . . 85 PHE HD1 . 17368 1 986 . 1 1 85 85 PHE HD2 H 1 7.170 0.002 . 3 . 1103 . . 85 PHE HD2 . 17368 1 987 . 1 1 85 85 PHE HE1 H 1 7.005 0.005 . 3 . 1104 . . 85 PHE HE1 . 17368 1 988 . 1 1 85 85 PHE HE2 H 1 7.005 0.005 . 3 . 1104 . . 85 PHE HE2 . 17368 1 989 . 1 1 85 85 PHE C C 13 175.806 0.05 . 1 . 403 . . 85 PHE C . 17368 1 990 . 1 1 85 85 PHE CA C 13 57.118 0.014 . 1 . 401 . . 85 PHE CA . 17368 1 991 . 1 1 85 85 PHE CB C 13 44.148 0.028 . 1 . 402 . . 85 PHE CB . 17368 1 992 . 1 1 85 85 PHE CD1 C 13 132.191 0.05 . 3 . 1105 . . 85 PHE CD1 . 17368 1 993 . 1 1 85 85 PHE CD2 C 13 132.191 0.05 . 3 . 1105 . . 85 PHE CD2 . 17368 1 994 . 1 1 85 85 PHE CE1 C 13 131.119 0.05 . 3 . 1126 . . 85 PHE CE1 . 17368 1 995 . 1 1 85 85 PHE CE2 C 13 131.119 0.05 . 3 . 1126 . . 85 PHE CE2 . 17368 1 996 . 1 1 85 85 PHE N N 15 117.907 0.019 . 1 . 92 . . 85 PHE N . 17368 1 997 . 1 1 86 86 GLU H H 1 9.094 0.003 . 1 . 29 . . 86 GLU H . 17368 1 998 . 1 1 86 86 GLU HA H 1 4.248 0.002 . 1 . 737 . . 86 GLU HA . 17368 1 999 . 1 1 86 86 GLU HB2 H 1 2.275 0.005 . 1 . 738 . . 86 GLU HB2 . 17368 1 1000 . 1 1 86 86 GLU HB3 H 1 2.275 0.005 . 1 . 1030 . . 86 GLU HB3 . 17368 1 1001 . 1 1 86 86 GLU HG2 H 1 2.484 0.005 . 2 . 1031 . . 86 GLU HG2 . 17368 1 1002 . 1 1 86 86 GLU HG3 H 1 2.373 0.005 . 2 . 1032 . . 86 GLU HG3 . 17368 1 1003 . 1 1 86 86 GLU C C 13 176.887 0.05 . 1 . 736 . . 86 GLU C . 17368 1 1004 . 1 1 86 86 GLU CA C 13 59.368 0.046 . 1 . 735 . . 86 GLU CA . 17368 1 1005 . 1 1 86 86 GLU CB C 13 30.744 0.022 . 1 . 734 . . 86 GLU CB . 17368 1 1006 . 1 1 86 86 GLU CG C 13 36.923 0.05 . 1 . 1029 . . 86 GLU CG . 17368 1 1007 . 1 1 86 86 GLU N N 15 122.022 0.016 . 1 . 30 . . 86 GLU N . 17368 1 1008 . 1 1 87 87 THR H H 1 7.372 0.004 . 1 . 109 . . 87 THR H . 17368 1 1009 . 1 1 87 87 THR HA H 1 4.959 0.002 . 1 . 424 . . 87 THR HA . 17368 1 1010 . 1 1 87 87 THR HB H 1 4.754 0.006 . 1 . 425 . . 87 THR HB . 17368 1 1011 . 1 1 87 87 THR HG21 H 1 1.239 0.001 . 1 . 1034 . . 87 THR HG21 . 17368 1 1012 . 1 1 87 87 THR HG22 H 1 1.239 0.001 . 1 . 1034 . . 87 THR HG22 . 17368 1 1013 . 1 1 87 87 THR HG23 H 1 1.239 0.001 . 1 . 1034 . . 87 THR HG23 . 17368 1 1014 . 1 1 87 87 THR C C 13 174.701 0.05 . 1 . 423 . . 87 THR C . 17368 1 1015 . 1 1 87 87 THR CA C 13 58.326 0.035 . 1 . 422 . . 87 THR CA . 17368 1 1016 . 1 1 87 87 THR CB C 13 73.112 0.024 . 1 . 421 . . 87 THR CB . 17368 1 1017 . 1 1 87 87 THR CG2 C 13 21.708 0.05 . 1 . 1033 . . 87 THR CG2 . 17368 1 1018 . 1 1 87 87 THR N N 15 102.118 0.021 . 1 . 110 . . 87 THR N . 17368 1 1019 . 1 1 88 88 LEU H H 1 8.921 0.003 . 1 . 202 . . 88 LEU H . 17368 1 1020 . 1 1 88 88 LEU HA H 1 3.664 0.004 . 1 . 527 . . 88 LEU HA . 17368 1 1021 . 1 1 88 88 LEU HB2 H 1 1.456 0.005 . 2 . 771 . . 88 LEU HB2 . 17368 1 1022 . 1 1 88 88 LEU HB3 H 1 0.942 0.005 . 2 . 526 . . 88 LEU HB3 . 17368 1 1023 . 1 1 88 88 LEU HG H 1 0.582 0.004 . 1 . 910 . . 88 LEU HG . 17368 1 1024 . 1 1 88 88 LEU HD11 H 1 0.058 0.001 . 2 . 911 . . 88 LEU HD11 . 17368 1 1025 . 1 1 88 88 LEU HD12 H 1 0.058 0.001 . 2 . 911 . . 88 LEU HD12 . 17368 1 1026 . 1 1 88 88 LEU HD13 H 1 0.058 0.001 . 2 . 911 . . 88 LEU HD13 . 17368 1 1027 . 1 1 88 88 LEU HD21 H 1 -0.271 0.004 . 2 . 912 . . 88 LEU HD21 . 17368 1 1028 . 1 1 88 88 LEU HD22 H 1 -0.271 0.004 . 2 . 912 . . 88 LEU HD22 . 17368 1 1029 . 1 1 88 88 LEU HD23 H 1 -0.271 0.004 . 2 . 912 . . 88 LEU HD23 . 17368 1 1030 . 1 1 88 88 LEU C C 13 178.466 0.05 . 1 . 528 . . 88 LEU C . 17368 1 1031 . 1 1 88 88 LEU CA C 13 57.016 0.015 . 1 . 524 . . 88 LEU CA . 17368 1 1032 . 1 1 88 88 LEU CB C 13 41.832 0.016 . 1 . 525 . . 88 LEU CB . 17368 1 1033 . 1 1 88 88 LEU CG C 13 26.152 0.05 . 1 . 913 . . 88 LEU CG . 17368 1 1034 . 1 1 88 88 LEU CD1 C 13 22.807 0.025 . 2 . 909 . . 88 LEU CD1 . 17368 1 1035 . 1 1 88 88 LEU CD2 C 13 23.345 0.02 . 2 . 908 . . 88 LEU CD2 . 17368 1 1036 . 1 1 88 88 LEU N N 15 121.212 0.013 . 1 . 203 . . 88 LEU N . 17368 1 1037 . 1 1 89 89 GLN H H 1 9.058 0.004 . 1 . 45 . . 89 GLN H . 17368 1 1038 . 1 1 89 89 GLN HA H 1 4.019 0.005 . 1 . 506 . . 89 GLN HA . 17368 1 1039 . 1 1 89 89 GLN HB2 H 1 2.315 0.005 . 2 . 507 . . 89 GLN HB2 . 17368 1 1040 . 1 1 89 89 GLN HB3 H 1 2.159 0.005 . 2 . 505 . . 89 GLN HB3 . 17368 1 1041 . 1 1 89 89 GLN HG2 H 1 2.638 0.005 . 2 . 1036 . . 89 GLN HG2 . 17368 1 1042 . 1 1 89 89 GLN HG3 H 1 2.522 0.005 . 2 . 1037 . . 89 GLN HG3 . 17368 1 1043 . 1 1 89 89 GLN HE21 H 1 7.027 0.005 . 1 . 155 . . 89 GLN HE21 . 17368 1 1044 . 1 1 89 89 GLN HE22 H 1 7.474 0.005 . 1 . 97 . . 89 GLN HE22 . 17368 1 1045 . 1 1 89 89 GLN C C 13 178.208 0.05 . 1 . 508 . . 89 GLN C . 17368 1 1046 . 1 1 89 89 GLN CA C 13 59.941 0.022 . 1 . 503 . . 89 GLN CA . 17368 1 1047 . 1 1 89 89 GLN CB C 13 27.964 0.041 . 1 . 504 . . 89 GLN CB . 17368 1 1048 . 1 1 89 89 GLN CG C 13 33.973 0.006 . 1 . 1035 . . 89 GLN CG . 17368 1 1049 . 1 1 89 89 GLN N N 15 118.751 0.024 . 1 . 46 . . 89 GLN N . 17368 1 1050 . 1 1 89 89 GLN NE2 N 15 111.508 0.002 . 1 . 98 . . 89 GLN NE2 . 17368 1 1051 . 1 1 90 90 GLN H H 1 7.902 0.003 . 1 . 27 . . 90 GLN H . 17368 1 1052 . 1 1 90 90 GLN HA H 1 3.966 0.005 . 1 . 329 . . 90 GLN HA . 17368 1 1053 . 1 1 90 90 GLN HB2 H 1 2.344 0.005 . 1 . 1040 . . 90 GLN HB2 . 17368 1 1054 . 1 1 90 90 GLN HB3 H 1 2.344 0.005 . 1 . 1039 . . 90 GLN HB3 . 17368 1 1055 . 1 1 90 90 GLN HG2 H 1 2.566 0.005 . 2 . 1042 . . 90 GLN HG2 . 17368 1 1056 . 1 1 90 90 GLN HG3 H 1 2.510 0.005 . 2 . 1041 . . 90 GLN HG3 . 17368 1 1057 . 1 1 90 90 GLN HE21 H 1 7.238 0.005 . 1 . 197 . . 90 GLN HE21 . 17368 1 1058 . 1 1 90 90 GLN HE22 H 1 7.609 0.005 . 1 . 143 . . 90 GLN HE22 . 17368 1 1059 . 1 1 90 90 GLN C C 13 177.986 0.05 . 1 . 330 . . 90 GLN C . 17368 1 1060 . 1 1 90 90 GLN CA C 13 58.774 0.005 . 1 . 327 . . 90 GLN CA . 17368 1 1061 . 1 1 90 90 GLN CB C 13 29.457 0.032 . 1 . 328 . . 90 GLN CB . 17368 1 1062 . 1 1 90 90 GLN CG C 13 34.883 0.026 . 1 . 1038 . . 90 GLN CG . 17368 1 1063 . 1 1 90 90 GLN N N 15 119.123 0.024 . 1 . 28 . . 90 GLN N . 17368 1 1064 . 1 1 90 90 GLN NE2 N 15 112.020 0.005 . 1 . 144 . . 90 GLN NE2 . 17368 1 1065 . 1 1 91 91 LEU H H 1 7.009 0.003 . 1 . 31 . . 91 LEU H . 17368 1 1066 . 1 1 91 91 LEU HA H 1 2.094 0.002 . 1 . 483 . . 91 LEU HA . 17368 1 1067 . 1 1 91 91 LEU HB2 H 1 1.164 0.005 . 2 . 485 . . 91 LEU HB2 . 17368 1 1068 . 1 1 91 91 LEU HB3 H 1 1.747 0.005 . 2 . 484 . . 91 LEU HB3 . 17368 1 1069 . 1 1 91 91 LEU HG H 1 1.426 0.002 . 1 . 918 . . 91 LEU HG . 17368 1 1070 . 1 1 91 91 LEU HD11 H 1 0.479 0.004 . 2 . 916 . . 91 LEU HD11 . 17368 1 1071 . 1 1 91 91 LEU HD12 H 1 0.479 0.004 . 2 . 916 . . 91 LEU HD12 . 17368 1 1072 . 1 1 91 91 LEU HD13 H 1 0.479 0.004 . 2 . 916 . . 91 LEU HD13 . 17368 1 1073 . 1 1 91 91 LEU HD21 H 1 0.878 0.005 . 2 . 917 . . 91 LEU HD21 . 17368 1 1074 . 1 1 91 91 LEU HD22 H 1 0.878 0.005 . 2 . 917 . . 91 LEU HD22 . 17368 1 1075 . 1 1 91 91 LEU HD23 H 1 0.878 0.005 . 2 . 917 . . 91 LEU HD23 . 17368 1 1076 . 1 1 91 91 LEU C C 13 177.326 0.05 . 1 . 486 . . 91 LEU C . 17368 1 1077 . 1 1 91 91 LEU CA C 13 59.102 0.032 . 1 . 481 . . 91 LEU CA . 17368 1 1078 . 1 1 91 91 LEU CB C 13 41.609 0.019 . 1 . 482 . . 91 LEU CB . 17368 1 1079 . 1 1 91 91 LEU CG C 13 27.032 0.05 . 1 . 919 . . 91 LEU CG . 17368 1 1080 . 1 1 91 91 LEU CD1 C 13 23.907 0.031 . 2 . 915 . . 91 LEU CD1 . 17368 1 1081 . 1 1 91 91 LEU CD2 C 13 27.736 0.074 . 2 . 914 . . 91 LEU CD2 . 17368 1 1082 . 1 1 91 91 LEU N N 15 123.767 0.009 . 1 . 32 . . 91 LEU N . 17368 1 1083 . 1 1 92 92 VAL H H 1 7.989 0.004 . 1 . 95 . . 92 VAL H . 17368 1 1084 . 1 1 92 92 VAL HA H 1 2.766 0.003 . 1 . 744 . . 92 VAL HA . 17368 1 1085 . 1 1 92 92 VAL HB H 1 1.462 0.005 . 1 . 745 . . 92 VAL HB . 17368 1 1086 . 1 1 92 92 VAL HG11 H 1 0.179 0.005 . 2 . 1046 . . 92 VAL HG11 . 17368 1 1087 . 1 1 92 92 VAL HG12 H 1 0.179 0.005 . 2 . 1046 . . 92 VAL HG12 . 17368 1 1088 . 1 1 92 92 VAL HG13 H 1 0.179 0.005 . 2 . 1046 . . 92 VAL HG13 . 17368 1 1089 . 1 1 92 92 VAL HG21 H 1 -0.465 0.004 . 2 . 1045 . . 92 VAL HG21 . 17368 1 1090 . 1 1 92 92 VAL HG22 H 1 -0.465 0.004 . 2 . 1045 . . 92 VAL HG22 . 17368 1 1091 . 1 1 92 92 VAL HG23 H 1 -0.465 0.004 . 2 . 1045 . . 92 VAL HG23 . 17368 1 1092 . 1 1 92 92 VAL C C 13 178.659 0.05 . 1 . 743 . . 92 VAL C . 17368 1 1093 . 1 1 92 92 VAL CA C 13 66.356 0.024 . 1 . 746 . . 92 VAL CA . 17368 1 1094 . 1 1 92 92 VAL CB C 13 31.302 0.055 . 1 . 747 . . 92 VAL CB . 17368 1 1095 . 1 1 92 92 VAL CG1 C 13 20.721 0.034 . 2 . 1044 . . 92 VAL CG1 . 17368 1 1096 . 1 1 92 92 VAL CG2 C 13 22.517 0.057 . 2 . 1043 . . 92 VAL CG2 . 17368 1 1097 . 1 1 92 92 VAL N N 15 119.835 0.025 . 1 . 96 . . 92 VAL N . 17368 1 1098 . 1 1 93 93 GLN H H 1 8.100 0.004 . 1 . 126 . . 93 GLN H . 17368 1 1099 . 1 1 93 93 GLN HA H 1 3.750 0.004 . 1 . 511 . . 93 GLN HA . 17368 1 1100 . 1 1 93 93 GLN HB2 H 1 2.108 0.005 . 2 . 512 . . 93 GLN HB2 . 17368 1 1101 . 1 1 93 93 GLN HB3 H 1 2.007 0.005 . 2 . 513 . . 93 GLN HB3 . 17368 1 1102 . 1 1 93 93 GLN HG2 H 1 2.379 0.004 . 1 . 1049 . . 93 GLN HG2 . 17368 1 1103 . 1 1 93 93 GLN HG3 H 1 2.379 0.004 . 1 . 1048 . . 93 GLN HG3 . 17368 1 1104 . 1 1 93 93 GLN HE21 H 1 6.826 0.005 . 1 . 85 . . 93 GLN HE21 . 17368 1 1105 . 1 1 93 93 GLN HE22 H 1 7.681 0.005 . 1 . 134 . . 93 GLN HE22 . 17368 1 1106 . 1 1 93 93 GLN C C 13 178.378 0.05 . 1 . 514 . . 93 GLN C . 17368 1 1107 . 1 1 93 93 GLN CA C 13 59.138 0.033 . 1 . 509 . . 93 GLN CA . 17368 1 1108 . 1 1 93 93 GLN CB C 13 28.107 0.035 . 1 . 510 . . 93 GLN CB . 17368 1 1109 . 1 1 93 93 GLN CG C 13 33.679 0.05 . 1 . 1047 . . 93 GLN CG . 17368 1 1110 . 1 1 93 93 GLN N N 15 119.976 0.051 . 1 . 127 . . 93 GLN N . 17368 1 1111 . 1 1 93 93 GLN NE2 N 15 112.432 0.004 . 1 . 86 . . 93 GLN NE2 . 17368 1 1112 . 1 1 94 94 HIS H H 1 7.658 0.002 . 1 . 156 . . 94 HIS H . 17368 1 1113 . 1 1 94 94 HIS HA H 1 3.991 0.005 . 1 . 661 . . 94 HIS HA . 17368 1 1114 . 1 1 94 94 HIS HB2 H 1 2.637 0.005 . 2 . 660 . . 94 HIS HB2 . 17368 1 1115 . 1 1 94 94 HIS HB3 H 1 2.843 0.005 . 2 . 659 . . 94 HIS HB3 . 17368 1 1116 . 1 1 94 94 HIS HD2 H 1 5.056 0.005 . 1 . 1130 . . 94 HIS HD2 . 17368 1 1117 . 1 1 94 94 HIS C C 13 177.911 0.05 . 1 . 658 . . 94 HIS C . 17368 1 1118 . 1 1 94 94 HIS CA C 13 60.330 0.001 . 1 . 656 . . 94 HIS CA . 17368 1 1119 . 1 1 94 94 HIS CB C 13 30.940 0.029 . 1 . 657 . . 94 HIS CB . 17368 1 1120 . 1 1 94 94 HIS N N 15 119.084 0.018 . 1 . 157 . . 94 HIS N . 17368 1 1121 . 1 1 95 95 TYR H H 1 7.486 0.002 . 1 . 181 . . 95 TYR H . 17368 1 1122 . 1 1 95 95 TYR HA H 1 4.937 0.005 . 1 . 655 . . 95 TYR HA . 17368 1 1123 . 1 1 95 95 TYR HB2 H 1 3.124 0.005 . 2 . 653 . . 95 TYR HB2 . 17368 1 1124 . 1 1 95 95 TYR HB3 H 1 2.169 0.005 . 2 . 654 . . 95 TYR HB3 . 17368 1 1125 . 1 1 95 95 TYR HD1 H 1 7.219 0.002 . 3 . 1097 . . 95 TYR HD1 . 17368 1 1126 . 1 1 95 95 TYR HD2 H 1 7.219 0.002 . 3 . 1097 . . 95 TYR HD2 . 17368 1 1127 . 1 1 95 95 TYR HE1 H 1 6.839 0.001 . 3 . 1095 . . 95 TYR HE1 . 17368 1 1128 . 1 1 95 95 TYR HE2 H 1 6.839 0.001 . 3 . 1095 . . 95 TYR HE2 . 17368 1 1129 . 1 1 95 95 TYR C C 13 175.668 0.05 . 1 . 652 . . 95 TYR C . 17368 1 1130 . 1 1 95 95 TYR CA C 13 60.037 0.034 . 1 . 435 . . 95 TYR CA . 17368 1 1131 . 1 1 95 95 TYR CB C 13 37.431 0.022 . 1 . 651 . . 95 TYR CB . 17368 1 1132 . 1 1 95 95 TYR CD1 C 13 134.271 0.05 . 3 . 1098 . . 95 TYR CD1 . 17368 1 1133 . 1 1 95 95 TYR CD2 C 13 134.271 0.05 . 3 . 1098 . . 95 TYR CD2 . 17368 1 1134 . 1 1 95 95 TYR CE1 C 13 117.705 0.05 . 3 . 1096 . . 95 TYR CE1 . 17368 1 1135 . 1 1 95 95 TYR CE2 C 13 117.705 0.05 . 3 . 1096 . . 95 TYR CE2 . 17368 1 1136 . 1 1 95 95 TYR N N 15 114.596 0.017 . 1 . 182 . . 95 TYR N . 17368 1 1137 . 1 1 96 96 SER H H 1 7.582 0.003 . 1 . 183 . . 96 SER H . 17368 1 1138 . 1 1 96 96 SER HA H 1 4.872 0.005 . 1 . 439 . . 96 SER HA . 17368 1 1139 . 1 1 96 96 SER HB2 H 1 3.761 0.005 . 2 . 438 . . 96 SER HB2 . 17368 1 1140 . 1 1 96 96 SER HB3 H 1 3.932 0.005 . 2 . 437 . . 96 SER HB3 . 17368 1 1141 . 1 1 96 96 SER C C 13 174.983 0.05 . 1 . 436 . . 96 SER C . 17368 1 1142 . 1 1 96 96 SER CA C 13 60.027 0.05 . 1 . 765 . . 96 SER CA . 17368 1 1143 . 1 1 96 96 SER CB C 13 63.165 0.038 . 1 . 434 . . 96 SER CB . 17368 1 1144 . 1 1 96 96 SER N N 15 114.519 0.029 . 1 . 184 . . 96 SER N . 17368 1 1145 . 1 1 97 97 GLU H H 1 7.258 0.002 . 1 . 17 . . 97 GLU H . 17368 1 1146 . 1 1 97 97 GLU HA H 1 4.182 0.005 . 1 . 625 . . 97 GLU HA . 17368 1 1147 . 1 1 97 97 GLU HB2 H 1 1.963 0.005 . 1 . 1050 . . 97 GLU HB2 . 17368 1 1148 . 1 1 97 97 GLU HB3 H 1 1.963 0.005 . 1 . 626 . . 97 GLU HB3 . 17368 1 1149 . 1 1 97 97 GLU HG2 H 1 2.412 0.005 . 2 . 1053 . . 97 GLU HG2 . 17368 1 1150 . 1 1 97 97 GLU HG3 H 1 2.131 0.005 . 2 . 1052 . . 97 GLU HG3 . 17368 1 1151 . 1 1 97 97 GLU C C 13 176.600 0.05 . 1 . 627 . . 97 GLU C . 17368 1 1152 . 1 1 97 97 GLU CA C 13 57.414 0.009 . 1 . 624 . . 97 GLU CA . 17368 1 1153 . 1 1 97 97 GLU CB C 13 30.680 0.025 . 1 . 623 . . 97 GLU CB . 17368 1 1154 . 1 1 97 97 GLU CG C 13 36.190 0.05 . 1 . 1051 . . 97 GLU CG . 17368 1 1155 . 1 1 97 97 GLU N N 15 121.186 0.015 . 1 . 18 . . 97 GLU N . 17368 1 1156 . 1 1 98 98 ARG H H 1 7.527 0.003 . 1 . 55 . . 98 ARG H . 17368 1 1157 . 1 1 98 98 ARG HA H 1 4.264 0.01 . 1 . 398 . . 98 ARG HA . 17368 1 1158 . 1 1 98 98 ARG HB2 H 1 1.786 0.005 . 2 . 399 . . 98 ARG HB2 . 17368 1 1159 . 1 1 98 98 ARG HB3 H 1 1.517 0.005 . 2 . 400 . . 98 ARG HB3 . 17368 1 1160 . 1 1 98 98 ARG HG2 H 1 1.392 0.005 . 2 . 853 . . 98 ARG HG2 . 17368 1 1161 . 1 1 98 98 ARG HG3 H 1 1.262 0.005 . 2 . 852 . . 98 ARG HG3 . 17368 1 1162 . 1 1 98 98 ARG HD2 H 1 2.963 0.005 . 1 . 1054 . . 98 ARG HD2 . 17368 1 1163 . 1 1 98 98 ARG HD3 H 1 2.963 0.005 . 1 . 851 . . 98 ARG HD3 . 17368 1 1164 . 1 1 98 98 ARG C C 13 172.507 0.05 . 1 . 397 . . 98 ARG C . 17368 1 1165 . 1 1 98 98 ARG CA C 13 54.514 0.031 . 1 . 640 . . 98 ARG CA . 17368 1 1166 . 1 1 98 98 ARG CB C 13 31.793 0.034 . 1 . 396 . . 98 ARG CB . 17368 1 1167 . 1 1 98 98 ARG CG C 13 25.872 0.05 . 1 . 850 . . 98 ARG CG . 17368 1 1168 . 1 1 98 98 ARG CD C 13 43.081 0.026 . 1 . 849 . . 98 ARG CD . 17368 1 1169 . 1 1 98 98 ARG N N 15 115.948 0.013 . 1 . 56 . . 98 ARG N . 17368 1 1170 . 1 1 99 99 ALA H H 1 8.377 0.003 . 1 . 171 . . 99 ALA H . 17368 1 1171 . 1 1 99 99 ALA HA H 1 3.861 0.005 . 1 . 643 . . 99 ALA HA . 17368 1 1172 . 1 1 99 99 ALA HB1 H 1 1.176 0.005 . 1 . 644 . . 99 ALA HB1 . 17368 1 1173 . 1 1 99 99 ALA HB2 H 1 1.176 0.005 . 1 . 644 . . 99 ALA HB2 . 17368 1 1174 . 1 1 99 99 ALA HB3 H 1 1.176 0.005 . 1 . 644 . . 99 ALA HB3 . 17368 1 1175 . 1 1 99 99 ALA C C 13 178.042 0.05 . 1 . 642 . . 99 ALA C . 17368 1 1176 . 1 1 99 99 ALA CA C 13 54.787 0.048 . 1 . 760 . . 99 ALA CA . 17368 1 1177 . 1 1 99 99 ALA CB C 13 18.099 0.026 . 1 . 641 . . 99 ALA CB . 17368 1 1178 . 1 1 99 99 ALA N N 15 122.048 0.016 . 1 . 172 . . 99 ALA N . 17368 1 1179 . 1 1 100 100 ALA H H 1 8.213 0.002 . 1 . 122 . . 100 ALA H . 17368 1 1180 . 1 1 100 100 ALA HA H 1 4.002 0.005 . 1 . 726 . . 100 ALA HA . 17368 1 1181 . 1 1 100 100 ALA HB1 H 1 1.295 0.005 . 1 . 727 . . 100 ALA HB1 . 17368 1 1182 . 1 1 100 100 ALA HB2 H 1 1.295 0.005 . 1 . 727 . . 100 ALA HB2 . 17368 1 1183 . 1 1 100 100 ALA HB3 H 1 1.295 0.005 . 1 . 727 . . 100 ALA HB3 . 17368 1 1184 . 1 1 100 100 ALA C C 13 176.839 0.05 . 1 . 725 . . 100 ALA C . 17368 1 1185 . 1 1 100 100 ALA CA C 13 52.621 0.012 . 1 . 723 . . 100 ALA CA . 17368 1 1186 . 1 1 100 100 ALA CB C 13 18.982 0.032 . 1 . 724 . . 100 ALA CB . 17368 1 1187 . 1 1 100 100 ALA N N 15 115.552 0.019 . 1 . 123 . . 100 ALA N . 17368 1 1188 . 1 1 101 101 GLY H H 1 8.325 0.002 . 1 . 213 . . 101 GLY H . 17368 1 1189 . 1 1 101 101 GLY HA2 H 1 4.485 0.005 . 2 . 739 . . 101 GLY HA2 . 17368 1 1190 . 1 1 101 101 GLY HA3 H 1 3.608 0.005 . 2 . 740 . . 101 GLY HA3 . 17368 1 1191 . 1 1 101 101 GLY C C 13 175.812 0.05 . 1 . 742 . . 101 GLY C . 17368 1 1192 . 1 1 101 101 GLY CA C 13 45.010 0.016 . 1 . 766 . . 101 GLY CA . 17368 1 1193 . 1 1 101 101 GLY N N 15 105.725 0.005 . 1 . 214 . . 101 GLY N . 17368 1 1194 . 1 1 102 102 LEU H H 1 8.094 0.003 . 1 . 135 . . 102 LEU H . 17368 1 1195 . 1 1 102 102 LEU HA H 1 4.106 0.003 . 1 . 592 . . 102 LEU HA . 17368 1 1196 . 1 1 102 102 LEU HB2 H 1 0.971 0.01 . 2 . 920 . . 102 LEU HB2 . 17368 1 1197 . 1 1 102 102 LEU HB3 H 1 1.739 0.005 . 2 . 591 . . 102 LEU HB3 . 17368 1 1198 . 1 1 102 102 LEU HG H 1 1.312 0.004 . 1 . 922 . . 102 LEU HG . 17368 1 1199 . 1 1 102 102 LEU HD11 H 1 -0.382 0.004 . 2 . 921 . . 102 LEU HD11 . 17368 1 1200 . 1 1 102 102 LEU HD12 H 1 -0.382 0.004 . 2 . 921 . . 102 LEU HD12 . 17368 1 1201 . 1 1 102 102 LEU HD13 H 1 -0.382 0.004 . 2 . 921 . . 102 LEU HD13 . 17368 1 1202 . 1 1 102 102 LEU HD21 H 1 -0.121 0.007 . 2 . 924 . . 102 LEU HD21 . 17368 1 1203 . 1 1 102 102 LEU HD22 H 1 -0.121 0.007 . 2 . 924 . . 102 LEU HD22 . 17368 1 1204 . 1 1 102 102 LEU HD23 H 1 -0.121 0.007 . 2 . 924 . . 102 LEU HD23 . 17368 1 1205 . 1 1 102 102 LEU C C 13 176.675 0.05 . 1 . 593 . . 102 LEU C . 17368 1 1206 . 1 1 102 102 LEU CA C 13 53.988 0.015 . 1 . 589 . . 102 LEU CA . 17368 1 1207 . 1 1 102 102 LEU CB C 13 42.049 0.065 . 1 . 590 . . 102 LEU CB . 17368 1 1208 . 1 1 102 102 LEU CG C 13 26.064 0.05 . 1 . 923 . . 102 LEU CG . 17368 1 1209 . 1 1 102 102 LEU CD1 C 13 19.961 0.064 . 2 . 1205 . . 102 LEU CD1 . 17368 1 1210 . 1 1 102 102 LEU CD2 C 13 25.163 0.072 . 2 . 1204 . . 102 LEU CD2 . 17368 1 1211 . 1 1 102 102 LEU N N 15 119.995 0.051 . 1 . 136 . . 102 LEU N . 17368 1 1212 . 1 1 103 103 CYS H H 1 7.347 0.003 . 1 . 215 . . 103 CYS H . 17368 1 1213 . 1 1 103 103 CYS HA H 1 4.238 0.005 . 1 . 649 . . 103 CYS HA . 17368 1 1214 . 1 1 103 103 CYS HB2 H 1 3.506 0.005 . 2 . 650 . . 103 CYS HB2 . 17368 1 1215 . 1 1 103 103 CYS HB3 H 1 2.810 0.005 . 2 . 648 . . 103 CYS HB3 . 17368 1 1216 . 1 1 103 103 CYS C C 13 173.318 0.05 . 1 . 647 . . 103 CYS C . 17368 1 1217 . 1 1 103 103 CYS CA C 13 58.260 0.034 . 1 . 646 . . 103 CYS CA . 17368 1 1218 . 1 1 103 103 CYS CB C 13 28.746 0.023 . 1 . 645 . . 103 CYS CB . 17368 1 1219 . 1 1 103 103 CYS N N 15 116.729 0.032 . 1 . 216 . . 103 CYS N . 17368 1 1220 . 1 1 104 104 CYS H H 1 7.352 0.002 . 1 . 73 . . 104 CYS H . 17368 1 1221 . 1 1 104 104 CYS HA H 1 4.464 0.005 . 1 . 585 . . 104 CYS HA . 17368 1 1222 . 1 1 104 104 CYS HB2 H 1 3.170 0.005 . 2 . 584 . . 104 CYS HB2 . 17368 1 1223 . 1 1 104 104 CYS HB3 H 1 2.979 0.005 . 2 . 586 . . 104 CYS HB3 . 17368 1 1224 . 1 1 104 104 CYS C C 13 170.265 0.05 . 1 . 587 . . 104 CYS C . 17368 1 1225 . 1 1 104 104 CYS CA C 13 56.263 0.05 . 1 . 588 . . 104 CYS CA . 17368 1 1226 . 1 1 104 104 CYS CB C 13 29.340 0.03 . 1 . 583 . . 104 CYS CB . 17368 1 1227 . 1 1 104 104 CYS N N 15 114.829 0.025 . 1 . 74 . . 104 CYS N . 17368 1 1228 . 1 1 105 105 ARG H H 1 7.832 0.003 . 1 . 130 . . 105 ARG H . 17368 1 1229 . 1 1 105 105 ARG HA H 1 4.104 0.005 . 1 . 464 . . 105 ARG HA . 17368 1 1230 . 1 1 105 105 ARG HB2 H 1 1.502 0.005 . 1 . 1055 . . 105 ARG HB2 . 17368 1 1231 . 1 1 105 105 ARG HB3 H 1 1.502 0.005 . 1 . 1056 . . 105 ARG HB3 . 17368 1 1232 . 1 1 105 105 ARG HG2 H 1 1.215 0.002 . 2 . 859 . . 105 ARG HG2 . 17368 1 1233 . 1 1 105 105 ARG HG3 H 1 1.401 0.005 . 2 . 858 . . 105 ARG HG3 . 17368 1 1234 . 1 1 105 105 ARG HD2 H 1 3.035 0.005 . 2 . 856 . . 105 ARG HD2 . 17368 1 1235 . 1 1 105 105 ARG HD3 H 1 2.853 0.005 . 2 . 857 . . 105 ARG HD3 . 17368 1 1236 . 1 1 105 105 ARG C C 13 175.019 0.05 . 1 . 463 . . 105 ARG C . 17368 1 1237 . 1 1 105 105 ARG CA C 13 55.817 0.047 . 1 . 461 . . 105 ARG CA . 17368 1 1238 . 1 1 105 105 ARG CB C 13 31.371 0.016 . 1 . 462 . . 105 ARG CB . 17368 1 1239 . 1 1 105 105 ARG CG C 13 27.413 0.007 . 1 . 855 . . 105 ARG CG . 17368 1 1240 . 1 1 105 105 ARG CD C 13 43.709 0.054 . 1 . 854 . . 105 ARG CD . 17368 1 1241 . 1 1 105 105 ARG N N 15 116.730 0.027 . 1 . 131 . . 105 ARG N . 17368 1 1242 . 1 1 106 106 LEU H H 1 7.752 0.005 . 1 . 198 . . 106 LEU H . 17368 1 1243 . 1 1 106 106 LEU HA H 1 3.877 0.005 . 1 . 335 . . 106 LEU HA . 17368 1 1244 . 1 1 106 106 LEU HB2 H 1 1.098 0.007 . 2 . 758 . . 106 LEU HB2 . 17368 1 1245 . 1 1 106 106 LEU HB3 H 1 0.137 0.005 . 2 . 928 . . 106 LEU HB3 . 17368 1 1246 . 1 1 106 106 LEU HG H 1 1.028 0.005 . 1 . 926 . . 106 LEU HG . 17368 1 1247 . 1 1 106 106 LEU HD11 H 1 -0.120 0.005 . 2 . 1202 . . 106 LEU HD11 . 17368 1 1248 . 1 1 106 106 LEU HD12 H 1 -0.120 0.005 . 2 . 1202 . . 106 LEU HD12 . 17368 1 1249 . 1 1 106 106 LEU HD13 H 1 -0.120 0.005 . 2 . 1202 . . 106 LEU HD13 . 17368 1 1250 . 1 1 106 106 LEU HD21 H 1 0.115 0.005 . 2 . 1203 . . 106 LEU HD21 . 17368 1 1251 . 1 1 106 106 LEU HD22 H 1 0.115 0.005 . 2 . 1203 . . 106 LEU HD22 . 17368 1 1252 . 1 1 106 106 LEU HD23 H 1 0.115 0.005 . 2 . 1203 . . 106 LEU HD23 . 17368 1 1253 . 1 1 106 106 LEU C C 13 176.769 0.05 . 1 . 336 . . 106 LEU C . 17368 1 1254 . 1 1 106 106 LEU CA C 13 54.565 0.012 . 1 . 332 . . 106 LEU CA . 17368 1 1255 . 1 1 106 106 LEU CB C 13 38.446 0.079 . 1 . 333 . . 106 LEU CB . 17368 1 1256 . 1 1 106 106 LEU CG C 13 25.248 0.05 . 1 . 927 . . 106 LEU CG . 17368 1 1257 . 1 1 106 106 LEU CD1 C 13 24.971 0.001 . 2 . 1201 . . 106 LEU CD1 . 17368 1 1258 . 1 1 106 106 LEU CD2 C 13 22.003 0.001 . 2 . 925 . . 106 LEU CD2 . 17368 1 1259 . 1 1 106 106 LEU N N 15 120.079 0.02 . 1 . 199 . . 106 LEU N . 17368 1 1260 . 1 1 107 107 VAL H H 1 8.480 0.004 . 1 . 101 . . 107 VAL H . 17368 1 1261 . 1 1 107 107 VAL HA H 1 3.937 0.005 . 1 . 1172 . . 107 VAL HA . 17368 1 1262 . 1 1 107 107 VAL HB H 1 1.669 0.005 . 1 . 1171 . . 107 VAL HB . 17368 1 1263 . 1 1 107 107 VAL HG11 H 1 0.917 0.005 . 2 . 1176 . . 107 VAL HG11 . 17368 1 1264 . 1 1 107 107 VAL HG12 H 1 0.917 0.005 . 2 . 1176 . . 107 VAL HG12 . 17368 1 1265 . 1 1 107 107 VAL HG13 H 1 0.917 0.005 . 2 . 1176 . . 107 VAL HG13 . 17368 1 1266 . 1 1 107 107 VAL HG21 H 1 1.059 0.005 . 2 . 1177 . . 107 VAL HG21 . 17368 1 1267 . 1 1 107 107 VAL HG22 H 1 1.059 0.005 . 2 . 1177 . . 107 VAL HG22 . 17368 1 1268 . 1 1 107 107 VAL HG23 H 1 1.059 0.005 . 2 . 1177 . . 107 VAL HG23 . 17368 1 1269 . 1 1 107 107 VAL C C 13 176.264 0.05 . 1 . 1175 . . 107 VAL C . 17368 1 1270 . 1 1 107 107 VAL CA C 13 64.802 0.074 . 1 . 331 . . 107 VAL CA . 17368 1 1271 . 1 1 107 107 VAL CB C 13 34.193 0.057 . 1 . 334 . . 107 VAL CB . 17368 1 1272 . 1 1 107 107 VAL CG1 C 13 20.710 0.045 . 2 . 1174 . . 107 VAL CG1 . 17368 1 1273 . 1 1 107 107 VAL CG2 C 13 22.453 0.036 . 2 . 1173 . . 107 VAL CG2 . 17368 1 1274 . 1 1 107 107 VAL N N 15 123.566 0.017 . 1 . 102 . . 107 VAL N . 17368 1 1275 . 1 1 108 108 VAL H H 1 7.170 0.006 . 1 . 1167 . . 108 VAL H . 17368 1 1276 . 1 1 108 108 VAL HA H 1 4.966 0.005 . 1 . 1178 . . 108 VAL HA . 17368 1 1277 . 1 1 108 108 VAL HB H 1 2.202 0.003 . 1 . 1179 . . 108 VAL HB . 17368 1 1278 . 1 1 108 108 VAL HG11 H 1 1.060 0.006 . 2 . 1180 . . 108 VAL HG11 . 17368 1 1279 . 1 1 108 108 VAL HG12 H 1 1.060 0.006 . 2 . 1180 . . 108 VAL HG12 . 17368 1 1280 . 1 1 108 108 VAL HG13 H 1 1.060 0.006 . 2 . 1180 . . 108 VAL HG13 . 17368 1 1281 . 1 1 108 108 VAL HG21 H 1 0.879 0.007 . 2 . 1181 . . 108 VAL HG21 . 17368 1 1282 . 1 1 108 108 VAL HG22 H 1 0.879 0.007 . 2 . 1181 . . 108 VAL HG22 . 17368 1 1283 . 1 1 108 108 VAL HG23 H 1 0.879 0.007 . 2 . 1181 . . 108 VAL HG23 . 17368 1 1284 . 1 1 108 108 VAL CA C 13 57.762 0.044 . 1 . 1169 . . 108 VAL CA . 17368 1 1285 . 1 1 108 108 VAL CB C 13 34.982 0.076 . 1 . 1170 . . 108 VAL CB . 17368 1 1286 . 1 1 108 108 VAL CG1 C 13 20.200 0.022 . 1 . 1183 . . 108 VAL CG1 . 17368 1 1287 . 1 1 108 108 VAL CG2 C 13 20.200 0.022 . 1 . 1182 . . 108 VAL CG2 . 17368 1 1288 . 1 1 108 108 VAL N N 15 115.495 0.043 . 1 . 1168 . . 108 VAL N . 17368 1 1289 . 1 1 109 109 PRO HA H 1 3.805 0.005 . 1 . 339 . . 109 PRO HA . 17368 1 1290 . 1 1 109 109 PRO HB2 H 1 1.751 0.003 . 1 . 1059 . . 109 PRO HB2 . 17368 1 1291 . 1 1 109 109 PRO HB3 H 1 1.751 0.003 . 1 . 340 . . 109 PRO HB3 . 17368 1 1292 . 1 1 109 109 PRO HG2 H 1 2.175 0.009 . 1 . 1061 . . 109 PRO HG2 . 17368 1 1293 . 1 1 109 109 PRO HG3 H 1 2.175 0.009 . 1 . 1060 . . 109 PRO HG3 . 17368 1 1294 . 1 1 109 109 PRO HD2 H 1 3.704 0.005 . 2 . 1166 . . 109 PRO HD2 . 17368 1 1295 . 1 1 109 109 PRO HD3 H 1 3.962 0.005 . 2 . 1165 . . 109 PRO HD3 . 17368 1 1296 . 1 1 109 109 PRO C C 13 176.352 0.05 . 1 . 341 . . 109 PRO C . 17368 1 1297 . 1 1 109 109 PRO CA C 13 61.424 0.008 . 1 . 337 . . 109 PRO CA . 17368 1 1298 . 1 1 109 109 PRO CB C 13 32.179 0.021 . 1 . 338 . . 109 PRO CB . 17368 1 1299 . 1 1 109 109 PRO CG C 13 28.149 0.05 . 1 . 1057 . . 109 PRO CG . 17368 1 1300 . 1 1 109 109 PRO CD C 13 51.645 0.044 . 1 . 1058 . . 109 PRO CD . 17368 1 1301 . 1 1 110 110 CYS H H 1 8.304 0.004 . 1 . 99 . . 110 CYS H . 17368 1 1302 . 1 1 110 110 CYS HA H 1 3.740 0.005 . 1 . 301 . . 110 CYS HA . 17368 1 1303 . 1 1 110 110 CYS HB2 H 1 2.527 0.005 . 2 . 302 . . 110 CYS HB2 . 17368 1 1304 . 1 1 110 110 CYS HB3 H 1 1.900 0.005 . 2 . 303 . . 110 CYS HB3 . 17368 1 1305 . 1 1 110 110 CYS C C 13 172.884 0.05 . 1 . 304 . . 110 CYS C . 17368 1 1306 . 1 1 110 110 CYS CA C 13 60.344 0.024 . 1 . 299 . . 110 CYS CA . 17368 1 1307 . 1 1 110 110 CYS CB C 13 27.690 0.019 . 1 . 300 . . 110 CYS CB . 17368 1 1308 . 1 1 110 110 CYS N N 15 123.613 0.024 . 1 . 100 . . 110 CYS N . 17368 1 1309 . 1 1 111 111 HIS H H 1 8.364 0.002 . 1 . 137 . . 111 HIS H . 17368 1 1310 . 1 1 111 111 HIS HA H 1 4.584 0.005 . 1 . 262 . . 111 HIS HA . 17368 1 1311 . 1 1 111 111 HIS HB2 H 1 3.258 0.005 . 2 . 293 . . 111 HIS HB2 . 17368 1 1312 . 1 1 111 111 HIS HB3 H 1 3.323 0.005 . 2 . 263 . . 111 HIS HB3 . 17368 1 1313 . 1 1 111 111 HIS HD2 H 1 7.289 0.001 . 1 . 1131 . . 111 HIS HD2 . 17368 1 1314 . 1 1 111 111 HIS HE1 H 1 8.392 0.005 . 1 . 1133 . . 111 HIS HE1 . 17368 1 1315 . 1 1 111 111 HIS C C 13 174.478 0.05 . 1 . 264 . . 111 HIS C . 17368 1 1316 . 1 1 111 111 HIS CA C 13 56.516 0.012 . 1 . 259 . . 111 HIS CA . 17368 1 1317 . 1 1 111 111 HIS CB C 13 29.375 0.03 . 1 . 261 . . 111 HIS CB . 17368 1 1318 . 1 1 111 111 HIS CD2 C 13 119.996 0.05 . 1 . 1132 . . 111 HIS CD2 . 17368 1 1319 . 1 1 111 111 HIS CE1 C 13 136.969 0.05 . 1 . 1134 . . 111 HIS CE1 . 17368 1 1320 . 1 1 111 111 HIS N N 15 126.347 0.011 . 1 . 138 . . 111 HIS N . 17368 1 1321 . 1 1 112 112 LYS H H 1 8.277 0.006 . 1 . 177 . . 112 LYS H . 17368 1 1322 . 1 1 112 112 LYS HA H 1 4.131 0.005 . 1 . 1157 . . 112 LYS HA . 17368 1 1323 . 1 1 112 112 LYS HB2 H 1 1.557 0.005 . 2 . 1164 . . 112 LYS HB2 . 17368 1 1324 . 1 1 112 112 LYS HB3 H 1 1.744 0.005 . 2 . 1158 . . 112 LYS HB3 . 17368 1 1325 . 1 1 112 112 LYS HG2 H 1 1.063 0.001 . 2 . 1162 . . 112 LYS HG2 . 17368 1 1326 . 1 1 112 112 LYS HG3 H 1 1.260 0.005 . 2 . 1161 . . 112 LYS HG3 . 17368 1 1327 . 1 1 112 112 LYS HD2 H 1 1.557 0.005 . 1 . 1159 . . 112 LYS HD2 . 17368 1 1328 . 1 1 112 112 LYS HD3 H 1 1.557 0.005 . 1 . 1160 . . 112 LYS HD3 . 17368 1 1329 . 1 1 112 112 LYS CA C 13 58.251 0.05 . 1 . 258 . . 112 LYS CA . 17368 1 1330 . 1 1 112 112 LYS CB C 13 33.640 0.05 . 1 . 260 . . 112 LYS CB . 17368 1 1331 . 1 1 112 112 LYS CG C 13 25.694 0.05 . 1 . 1163 . . 112 LYS CG . 17368 1 1332 . 1 1 112 112 LYS N N 15 128.644 0.004 . 1 . 178 . . 112 LYS N . 17368 1 stop_ save_