data_15446 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15446 _Entry.Title ; 2cxxc, YgiT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-28 _Entry.Accession_date 2007-08-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.78 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Evangelos Papadopoulos . . . 15446 2 Alexios 'Gardikas Vlamis' . . . 15446 3 Astrid Graslund . . . 15446 4 Martin Billeter . . . 15446 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15446 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 510 15446 '15N chemical shifts' 127 15446 '1H chemical shifts' 685 15446 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 . . 2009-08-31 2007-08-28 update BMRB 'correct entry citation' 15446 1 . . 2008-01-30 2007-08-28 original author 'original release' 15446 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15446 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636869 _Citation.Full_citation . _Citation.Title 'Assignment of (1)H, (13)C, and (15)N resonances of YgiT, a putative DNA interacting protein from E. coli, containing one HTH and two CxxC motifs' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _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 217 _Citation.Page_last 219 _Citation.Year 2007 _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 Evangelos Papadopoulos . . . 15446 1 2 Martin Billeter . . . 15446 1 3 Astrid Graslund . . . 15446 1 4 Alexios Vlamis-Gardikas . . . 15446 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15446 _Assembly.ID 1 _Assembly.Name 2cxxc _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 2cxxc 1 $2cxxc_-_Ygit A . yes native no no . . . 15446 1 2 'Zinc ion' 2 $ZN B . no native no no . . . 15446 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_2cxxc_-_Ygit _Entity.Sf_category entity _Entity.Sf_framecode 2cxxc_-_Ygit _Entity.Entry_ID 15446 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 2cxxc_-_Ygit _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKCPVCHQGEMVSGIKDIPY TFRGRKTVLKGIHGLYCVHC EESIMNKEESDAFMAQVKAF RASVNAETVAPEFIVKVRKK LSLTQKEASEIFGGGVNAFS RYEKGNAQPHPSTIKLLRVL DKHPELLNEIR ; _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 17009 . mqsa_c . . . . . 53.44 73 100.00 100.00 5.47e-41 . . . . 15446 1 2 no PDB 2KZ8 . "Solution Nmr Structure Of Mqsa, A Protein From E. Coli, Containing A Zinc Finger, N-Terminal And A Helix Turn-Helix C-Terminal " . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 3 no PDB 3FMY . "Structure Of The C-Terminal Domain Of The E. Coli Protein Mqsa (YgitB3021)" . . . . . 53.44 73 98.57 98.57 6.07e-40 . . . . 15446 1 4 no PDB 3GA8 . "Structure Of The N-terminal Domain Of The E. Coli Protein Mqsa (ygit/b3021)" . . . . . 58.02 78 100.00 100.00 6.53e-48 . . . . 15446 1 5 no PDB 3GN5 . "Structure Of The E. Coli Protein Mqsa (YgitB3021)" . . . . . 100.00 133 100.00 100.00 5.87e-91 . . . . 15446 1 6 no PDB 3HI2 . "Structure Of The N-Terminal Domain Of The E. Coli Antitoxin Mqsa (YgitB3021) IN COMPLEX WITH THE E. COLI TOXIN MQSR (YGIUB3022)" . . . . . 58.02 76 100.00 100.00 5.19e-48 . . . . 15446 1 7 no PDB 3O9X . "Structure Of The E. Coli Antitoxin Mqsa (YgitB3021) IN COMPLEX WITH Its Gene Promoter" . . . . . 100.00 133 100.00 100.00 5.87e-91 . . . . 15446 1 8 no DBJ BAE77077 . "predicted DNA-binding transcriptional regulator [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 9 no DBJ BAJ44773 . "HTH-type transcriptional regulator ygiT [Escherichia coli DH1]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 10 no DBJ BAL39680 . "predicted DNA-binding transcriptional regulator [Escherichia coli str. K-12 substr. MDS42]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 11 no EMBL CAQ33360 . "MqsA antitoxin of the MqsRA toxin-antitoxin system and DNA transcriptional repressor, subunit of MqsR-MqsA complex DNA binding " . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 12 no EMBL CAR14662 . "putative DNA-binding transcriptional regulator [Escherichia coli UMN026]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 13 no EMBL CAR19632 . "putative DNA-binding transcriptional regulator [Escherichia coli IAI39]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 14 no EMBL CBJ02792 . "putative DNA-binding HTH regulator [Escherichia coli ETEC H10407]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 15 no EMBL CCJ45634 . "hypothetical protein BN17_29491 [Escherichia coli]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 16 no GB AAA69189 . "ORF_f131 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 17 no GB AAC76057 . "antitoxin for MqsR toxin; transcriptional repressor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 18 no GB ABV07432 . "transcriptional regulator, Cro/CI family [Escherichia coli HS]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 19 no GB ACA76352 . "transcriptional regulator, XRE family [Escherichia coli ATCC 8739]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 20 no GB ACB04106 . "predicted DNA-binding transcriptional regulator [Escherichia coli str. K-12 substr. DH10B]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 21 no REF NP_417493 . "antitoxin for MqsR toxin; transcriptional repressor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 22 no REF WP_000650107 . "MULTISPECIES: antitoxin [Proteobacteria]" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 1 23 no REF WP_001487520 . "antitoxin [Escherichia coli]" . . . . . 100.00 131 99.24 99.24 6.08e-90 . . . . 15446 1 24 no REF WP_021572968 . "antitoxin [Escherichia coli]" . . . . . 100.00 131 99.24 99.24 5.51e-90 . . . . 15446 1 25 no REF WP_044814339 . "hypothetical protein [Escherichia coli]" . . . . . 63.36 106 97.59 100.00 4.10e-52 . . . . 15446 1 26 no SP Q46864 . "RecName: Full=Antitoxin MqsA" . . . . . 100.00 131 100.00 100.00 3.11e-91 . . . . 15446 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 . MET . 15446 1 2 . LYS . 15446 1 3 . CYS . 15446 1 4 . PRO . 15446 1 5 . VAL . 15446 1 6 . CYS . 15446 1 7 . HIS . 15446 1 8 . GLN . 15446 1 9 . GLY . 15446 1 10 . GLU . 15446 1 11 . MET . 15446 1 12 . VAL . 15446 1 13 . SER . 15446 1 14 . GLY . 15446 1 15 . ILE . 15446 1 16 . LYS . 15446 1 17 . ASP . 15446 1 18 . ILE . 15446 1 19 . PRO . 15446 1 20 . TYR . 15446 1 21 . THR . 15446 1 22 . PHE . 15446 1 23 . ARG . 15446 1 24 . GLY . 15446 1 25 . ARG . 15446 1 26 . LYS . 15446 1 27 . THR . 15446 1 28 . VAL . 15446 1 29 . LEU . 15446 1 30 . LYS . 15446 1 31 . GLY . 15446 1 32 . ILE . 15446 1 33 . HIS . 15446 1 34 . GLY . 15446 1 35 . LEU . 15446 1 36 . TYR . 15446 1 37 . CYS . 15446 1 38 . VAL . 15446 1 39 . HIS . 15446 1 40 . CYS . 15446 1 41 . GLU . 15446 1 42 . GLU . 15446 1 43 . SER . 15446 1 44 . ILE . 15446 1 45 . MET . 15446 1 46 . ASN . 15446 1 47 . LYS . 15446 1 48 . GLU . 15446 1 49 . GLU . 15446 1 50 . SER . 15446 1 51 . ASP . 15446 1 52 . ALA . 15446 1 53 . PHE . 15446 1 54 . MET . 15446 1 55 . ALA . 15446 1 56 . GLN . 15446 1 57 . VAL . 15446 1 58 . LYS . 15446 1 59 . ALA . 15446 1 60 . PHE . 15446 1 61 . ARG . 15446 1 62 . ALA . 15446 1 63 . SER . 15446 1 64 . VAL . 15446 1 65 . ASN . 15446 1 66 . ALA . 15446 1 67 . GLU . 15446 1 68 . THR . 15446 1 69 . VAL . 15446 1 70 . ALA . 15446 1 71 . PRO . 15446 1 72 . GLU . 15446 1 73 . PHE . 15446 1 74 . ILE . 15446 1 75 . VAL . 15446 1 76 . LYS . 15446 1 77 . VAL . 15446 1 78 . ARG . 15446 1 79 . LYS . 15446 1 80 . LYS . 15446 1 81 . LEU . 15446 1 82 . SER . 15446 1 83 . LEU . 15446 1 84 . THR . 15446 1 85 . GLN . 15446 1 86 . LYS . 15446 1 87 . GLU . 15446 1 88 . ALA . 15446 1 89 . SER . 15446 1 90 . GLU . 15446 1 91 . ILE . 15446 1 92 . PHE . 15446 1 93 . GLY . 15446 1 94 . GLY . 15446 1 95 . GLY . 15446 1 96 . VAL . 15446 1 97 . ASN . 15446 1 98 . ALA . 15446 1 99 . PHE . 15446 1 100 . SER . 15446 1 101 . ARG . 15446 1 102 . TYR . 15446 1 103 . GLU . 15446 1 104 . LYS . 15446 1 105 . GLY . 15446 1 106 . ASN . 15446 1 107 . ALA . 15446 1 108 . GLN . 15446 1 109 . PRO . 15446 1 110 . HIS . 15446 1 111 . PRO . 15446 1 112 . SER . 15446 1 113 . THR . 15446 1 114 . ILE . 15446 1 115 . LYS . 15446 1 116 . LEU . 15446 1 117 . LEU . 15446 1 118 . ARG . 15446 1 119 . VAL . 15446 1 120 . LEU . 15446 1 121 . ASP . 15446 1 122 . LYS . 15446 1 123 . HIS . 15446 1 124 . PRO . 15446 1 125 . GLU . 15446 1 126 . LEU . 15446 1 127 . LEU . 15446 1 128 . ASN . 15446 1 129 . GLU . 15446 1 130 . ILE . 15446 1 131 . ARG . 15446 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 . MET 1 1 15446 1 . LYS 2 2 15446 1 . CYS 3 3 15446 1 . PRO 4 4 15446 1 . VAL 5 5 15446 1 . CYS 6 6 15446 1 . HIS 7 7 15446 1 . GLN 8 8 15446 1 . GLY 9 9 15446 1 . GLU 10 10 15446 1 . MET 11 11 15446 1 . VAL 12 12 15446 1 . SER 13 13 15446 1 . GLY 14 14 15446 1 . ILE 15 15 15446 1 . LYS 16 16 15446 1 . ASP 17 17 15446 1 . ILE 18 18 15446 1 . PRO 19 19 15446 1 . TYR 20 20 15446 1 . THR 21 21 15446 1 . PHE 22 22 15446 1 . ARG 23 23 15446 1 . GLY 24 24 15446 1 . ARG 25 25 15446 1 . LYS 26 26 15446 1 . THR 27 27 15446 1 . VAL 28 28 15446 1 . LEU 29 29 15446 1 . LYS 30 30 15446 1 . GLY 31 31 15446 1 . ILE 32 32 15446 1 . HIS 33 33 15446 1 . GLY 34 34 15446 1 . LEU 35 35 15446 1 . TYR 36 36 15446 1 . CYS 37 37 15446 1 . VAL 38 38 15446 1 . HIS 39 39 15446 1 . CYS 40 40 15446 1 . GLU 41 41 15446 1 . GLU 42 42 15446 1 . SER 43 43 15446 1 . ILE 44 44 15446 1 . MET 45 45 15446 1 . ASN 46 46 15446 1 . LYS 47 47 15446 1 . GLU 48 48 15446 1 . GLU 49 49 15446 1 . SER 50 50 15446 1 . ASP 51 51 15446 1 . ALA 52 52 15446 1 . PHE 53 53 15446 1 . MET 54 54 15446 1 . ALA 55 55 15446 1 . GLN 56 56 15446 1 . VAL 57 57 15446 1 . LYS 58 58 15446 1 . ALA 59 59 15446 1 . PHE 60 60 15446 1 . ARG 61 61 15446 1 . ALA 62 62 15446 1 . SER 63 63 15446 1 . VAL 64 64 15446 1 . ASN 65 65 15446 1 . ALA 66 66 15446 1 . GLU 67 67 15446 1 . THR 68 68 15446 1 . VAL 69 69 15446 1 . ALA 70 70 15446 1 . PRO 71 71 15446 1 . GLU 72 72 15446 1 . PHE 73 73 15446 1 . ILE 74 74 15446 1 . VAL 75 75 15446 1 . LYS 76 76 15446 1 . VAL 77 77 15446 1 . ARG 78 78 15446 1 . LYS 79 79 15446 1 . LYS 80 80 15446 1 . LEU 81 81 15446 1 . SER 82 82 15446 1 . LEU 83 83 15446 1 . THR 84 84 15446 1 . GLN 85 85 15446 1 . LYS 86 86 15446 1 . GLU 87 87 15446 1 . ALA 88 88 15446 1 . SER 89 89 15446 1 . GLU 90 90 15446 1 . ILE 91 91 15446 1 . PHE 92 92 15446 1 . GLY 93 93 15446 1 . GLY 94 94 15446 1 . GLY 95 95 15446 1 . VAL 96 96 15446 1 . ASN 97 97 15446 1 . ALA 98 98 15446 1 . PHE 99 99 15446 1 . SER 100 100 15446 1 . ARG 101 101 15446 1 . TYR 102 102 15446 1 . GLU 103 103 15446 1 . LYS 104 104 15446 1 . GLY 105 105 15446 1 . ASN 106 106 15446 1 . ALA 107 107 15446 1 . GLN 108 108 15446 1 . PRO 109 109 15446 1 . HIS 110 110 15446 1 . PRO 111 111 15446 1 . SER 112 112 15446 1 . THR 113 113 15446 1 . ILE 114 114 15446 1 . LYS 115 115 15446 1 . LEU 116 116 15446 1 . LEU 117 117 15446 1 . ARG 118 118 15446 1 . VAL 119 119 15446 1 . LEU 120 120 15446 1 . ASP 121 121 15446 1 . LYS 122 122 15446 1 . HIS 123 123 15446 1 . PRO 124 124 15446 1 . GLU 125 125 15446 1 . LEU 126 126 15446 1 . LEU 127 127 15446 1 . ASN 128 128 15446 1 . GLU 129 129 15446 1 . ILE 130 130 15446 1 . ARG 131 131 15446 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15446 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 15446 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15446 _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 $2cxxc_-_Ygit . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15446 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 15446 _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 $2cxxc_-_Ygit . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'Escherichia coli' . . . . . . 15446 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15446 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 11:29:59 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 15446 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 15446 ZN [Zn++] SMILES CACTVS 3.341 15446 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 15446 ZN [Zn+2] SMILES ACDLabs 10.04 15446 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15446 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15446 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 15446 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15446 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 15446 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15446 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details Ph=5 _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 '2cxxc - Ygit' '[U-100% 13C; U-100% 15N]' . . 1 $2cxxc_-_Ygit . . 1 . . mM . . . . 15446 1 2 'Zinc ion' . . . 2 $ZN . . 1 . . mM . . . . 15446 1 3 'Sodium Phosphate buffer' . . . . . . . 20 . . mM . . . . 15446 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15446 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 15446 1 pH 5 . pH 15446 1 pressure 0.7 . atm 15446 1 temperature 310 . K 15446 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15446 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15446 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15446 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15446 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15446 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 15446 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 15446 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15446 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15446 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15446 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15446 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15446 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15446 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15446 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15446 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 15446 _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 water protons . . . . ppm 4.65 internal direct 0.2514497 . . . 1 $entry_citation . . 1 $entry_citation 15446 1 H 1 water protons . . . . ppm 4.65 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 15446 1 N 15 water protons . . . . ppm 4.65 internal direct 0.1013291 . . . 1 $entry_citation . . 1 $entry_citation 15446 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15446 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; The last column under the field "details" is the number of assigned peaks used to infer a particular reasonance. The protons in particular are always at least amino acid sidechain specificaly assigned. The QB, QG, QD, refer ro methyl groups of Alanines, Leicines, Valines, Isoleucines. So most will be umbiguities type 2 while few type 4 are possible. ; _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' . . . 15446 1 2 '3D HNCA' . . . 15446 1 3 '3D HNCACB' . . . 15446 1 4 '3D HNCO' . . . 15446 1 5 '3D CBCA(CO)NH' . . . 15446 1 6 '3D HBHA(CO)NH' . . . 15446 1 7 '3D C(CO)NH' . . . 15446 1 8 '3D H(CCO)NH' . . . 15446 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 MET HA H 1 4.060 0.05 . 1 . . . . 1 M HA 2 15446 1 2 . 1 1 1 1 MET HB2 H 1 2.181 0.003 . 2 . . . . 1 M HB2 3 15446 1 3 . 1 1 1 1 MET HB3 H 1 2.008 0.007 . 2 . . . . 1 M HB3 3 15446 1 4 . 1 1 1 1 MET HG2 H 1 2.432 0.007 . 2 . . . . 1 M HG2 5 15446 1 5 . 1 1 1 1 MET HG3 H 1 2.519 0.010 . 2 . . . . 1 M HG3 5 15446 1 6 . 1 1 1 1 MET C C 13 171.694 0.026 . 1 . . . . 1 M C 2 15446 1 7 . 1 1 1 1 MET CA C 13 54.858 0.026 . 1 . . . . 1 M CA 4 15446 1 8 . 1 1 1 1 MET CB C 13 33.710 0.071 . 1 . . . . 1 M CB 4 15446 1 9 . 1 1 1 1 MET CG C 13 30.409 0.049 . 1 . . . . 1 M CG 5 15446 1 10 . 1 1 2 2 LYS H H 1 8.700 0.004 . 1 . . . . 2 K H 20 15446 1 11 . 1 1 2 2 LYS HA H 1 4.472 0.019 . 1 . . . . 2 K HA 6 15446 1 12 . 1 1 2 2 LYS HB2 H 1 1.707 0.05 . 2 . . . . 2 K HB2 2 15446 1 13 . 1 1 2 2 LYS HB3 H 1 1.521 0.003 . 2 . . . . 2 K HB3 4 15446 1 14 . 1 1 2 2 LYS HD3 H 1 1.693 0.05 . 2 . . . . 2 K HD3 2 15446 1 15 . 1 1 2 2 LYS HG3 H 1 1.393 0.05 . 2 . . . . 2 K HG3 2 15446 1 16 . 1 1 2 2 LYS C C 13 175.679 0.4 . 1 . . . . 2 K C 2 15446 1 17 . 1 1 2 2 LYS CA C 13 54.990 0.052 . 1 . . . . 2 K CA 10 15446 1 18 . 1 1 2 2 LYS CB C 13 33.446 0.045 . 1 . . . . 2 K CB 5 15446 1 19 . 1 1 2 2 LYS CD C 13 28.505 0.4 . 1 . . . . 2 K CD 2 15446 1 20 . 1 1 2 2 LYS CG C 13 24.696 0.4 . 1 . . . . 2 K CG 2 15446 1 21 . 1 1 2 2 LYS N N 15 126.260 0.018 . 1 . . . . 2 K N 20 15446 1 22 . 1 1 3 3 CYS H H 1 8.352 0.002 . 1 . . . . 3 C H 22 15446 1 23 . 1 1 3 3 CYS C C 13 176.683 0.4 . 1 . . . . 3 C C 1 15446 1 24 . 1 1 3 3 CYS CA C 13 56.944 0.005 . 1 . . . . 3 C CA 2 15446 1 25 . 1 1 3 3 CYS N N 15 126.147 0.023 . 1 . . . . 3 C N 22 15446 1 26 . 1 1 4 4 PRO HA H 1 4.380 0.005 . 1 . . . . 4 P HA 4 15446 1 27 . 1 1 4 4 PRO HB2 H 1 2.022 0.012 . 2 . . . . 4 P HB2 3 15446 1 28 . 1 1 4 4 PRO HB3 H 1 2.245 0.05 . 2 . . . . 4 P HB3 3 15446 1 29 . 1 1 4 4 PRO HG3 H 1 1.866 0.007 . 2 . . . . 4 P HG3 4 15446 1 30 . 1 1 4 4 PRO C C 13 175.678 0.001 . 1 . . . . 4 P C 2 15446 1 31 . 1 1 4 4 PRO CA C 13 63.509 0.065 . 1 . . . . 4 P CA 6 15446 1 32 . 1 1 4 4 PRO CB C 13 32.252 0.043 . 1 . . . . 4 P CB 5 15446 1 33 . 1 1 4 4 PRO CD C 13 51.580 0.4 . 1 . . . . 4 P CD 1 15446 1 34 . 1 1 4 4 PRO CG C 13 26.739 0.056 . 1 . . . . 4 P CG 3 15446 1 35 . 1 1 5 5 VAL H H 1 9.086 0.005 . 1 . . . . 5 V H 26 15446 1 36 . 1 1 5 5 VAL HA H 1 3.884 0.004 . 1 . . . . 5 V HA 7 15446 1 37 . 1 1 5 5 VAL HB H 1 1.840 0.011 . 1 . . . . 5 V HB 5 15446 1 38 . 1 1 5 5 VAL HG11 H 1 0.854 0.005 . 2 . . . . 5 V QG1 11 15446 1 39 . 1 1 5 5 VAL HG12 H 1 0.854 0.005 . 2 . . . . 5 V QG1 11 15446 1 40 . 1 1 5 5 VAL HG13 H 1 0.854 0.005 . 2 . . . . 5 V QG1 11 15446 1 41 . 1 1 5 5 VAL HG21 H 1 0.782 0.006 . 2 . . . . 5 V QG2 4 15446 1 42 . 1 1 5 5 VAL HG22 H 1 0.782 0.006 . 2 . . . . 5 V QG2 4 15446 1 43 . 1 1 5 5 VAL HG23 H 1 0.782 0.006 . 2 . . . . 5 V QG2 4 15446 1 44 . 1 1 5 5 VAL C C 13 176.336 0.015 . 1 . . . . 5 V C 3 15446 1 45 . 1 1 5 5 VAL CA C 13 64.960 0.075 . 1 . . . . 5 V CA 8 15446 1 46 . 1 1 5 5 VAL CB C 13 32.873 0.018 . 1 . . . . 5 V CB 6 15446 1 47 . 1 1 5 5 VAL CG1 C 13 21.357 0.089 . 2 . . . . 5 V CG1 7 15446 1 48 . 1 1 5 5 VAL CG2 C 13 21.517 0.004 . 2 . . . . 5 V CG2 2 15446 1 49 . 1 1 5 5 VAL N N 15 122.875 0.020 . 1 . . . . 5 V N 26 15446 1 50 . 1 1 6 6 CYS H H 1 9.057 0.007 . 1 . . . . 6 C H 25 15446 1 51 . 1 1 6 6 CYS HA H 1 4.752 0.001 . 1 . . . . 6 C HA 3 15446 1 52 . 1 1 6 6 CYS HB2 H 1 2.925 0.007 . 2 . . . . 6 C HB2 5 15446 1 53 . 1 1 6 6 CYS HB3 H 1 3.240 0.004 . 2 . . . . 6 C HB3 5 15446 1 54 . 1 1 6 6 CYS C C 13 177.205 0.020 . 1 . . . . 6 C C 3 15446 1 55 . 1 1 6 6 CYS CA C 13 59.098 0.055 . 1 . . . . 6 C CA 8 15446 1 56 . 1 1 6 6 CYS CB C 13 31.191 0.026 . 1 . . . . 6 C CB 8 15446 1 57 . 1 1 6 6 CYS N N 15 120.387 0.055 . 1 . . . . 6 C N 24 15446 1 58 . 1 1 7 7 HIS H H 1 7.189 0.008 . 1 . . . . 7 H H 24 15446 1 59 . 1 1 7 7 HIS HA H 1 4.534 0.005 . 1 . . . . 7 H HA 4 15446 1 60 . 1 1 7 7 HIS HB2 H 1 3.370 0.003 . 2 . . . . 7 H HB2 3 15446 1 61 . 1 1 7 7 HIS HB3 H 1 3.574 0.003 . 2 . . . . 7 H HB3 3 15446 1 62 . 1 1 7 7 HIS HD2 H 1 7.108 0.002 . 1 . . . . 7 H HD2 2 15446 1 63 . 1 1 7 7 HIS C C 13 174.626 0.021 . 1 . . . . 7 H C 3 15446 1 64 . 1 1 7 7 HIS CA C 13 57.594 0.010 . 1 . . . . 7 H CA 7 15446 1 65 . 1 1 7 7 HIS CB C 13 26.985 0.045 . 1 . . . . 7 H CB 7 15446 1 66 . 1 1 7 7 HIS CD2 C 13 119.421 0.4 . 1 . . . . 7 H CD2 1 15446 1 67 . 1 1 7 7 HIS N N 15 114.944 0.054 . 1 . . . . 7 H N 22 15446 1 68 . 1 1 8 8 GLN H H 1 9.012 0.004 . 1 . . . . 8 Q H 24 15446 1 69 . 1 1 8 8 GLN HA H 1 4.449 0.05 . 1 . . . . 8 Q HA 2 15446 1 70 . 1 1 8 8 GLN HB3 H 1 1.773 0.006 . 2 . . . . 8 Q HB3 3 15446 1 71 . 1 1 8 8 GLN HE21 H 1 7.264 0.05 . 2 . . . . 8 Q HE21 1 15446 1 72 . 1 1 8 8 GLN HE22 H 1 6.676 0.05 . 2 . . . . 8 Q HE22 1 15446 1 73 . 1 1 8 8 GLN HG3 H 1 2.168 0.05 . 2 . . . . 8 Q HG3 2 15446 1 74 . 1 1 8 8 GLN C C 13 175.566 0.022 . 1 . . . . 8 Q C 3 15446 1 75 . 1 1 8 8 GLN CA C 13 56.489 0.030 . 1 . . . . 8 Q CA 8 15446 1 76 . 1 1 8 8 GLN CB C 13 30.814 0.019 . 1 . . . . 8 Q CB 5 15446 1 77 . 1 1 8 8 GLN CG C 13 33.989 0.4 . 1 . . . . 8 Q CG 2 15446 1 78 . 1 1 8 8 GLN N N 15 119.716 0.036 . 1 . . . . 8 Q N 23 15446 1 79 . 1 1 8 8 GLN NE2 N 15 111.010 0.006 . 1 . . . . 8 Q NE2 2 15446 1 80 . 1 1 9 9 GLY H H 1 7.253 0.003 . 1 . . . . 9 G H 23 15446 1 81 . 1 1 9 9 GLY HA2 H 1 4.216 0.05 . 2 . . . . 9 G HA2 3 15446 1 82 . 1 1 9 9 GLY HA3 H 1 3.979 0.003 . 2 . . . . 9 G HA3 3 15446 1 83 . 1 1 9 9 GLY C C 13 171.753 0.008 . 1 . . . . 9 G C 3 15446 1 84 . 1 1 9 9 GLY CA C 13 45.131 0.069 . 1 . . . . 9 G CA 9 15446 1 85 . 1 1 9 9 GLY N N 15 105.500 0.058 . 1 . . . . 9 G N 21 15446 1 86 . 1 1 10 10 GLU H H 1 7.837 0.003 . 1 . . . . 10 E H 19 15446 1 87 . 1 1 10 10 GLU HA H 1 4.498 0.001 . 1 . . . . 10 E HA 3 15446 1 88 . 1 1 10 10 GLU HB2 H 1 1.820 0.007 . 2 . . . . 10 E HB2 3 15446 1 89 . 1 1 10 10 GLU HB3 H 1 1.936 0.006 . 2 . . . . 10 E HB3 3 15446 1 90 . 1 1 10 10 GLU HG2 H 1 2.201 0.05 . 2 . . . . 10 E HG2 2 15446 1 91 . 1 1 10 10 GLU HG3 H 1 2.254 0.05 . 2 . . . . 10 E HG3 2 15446 1 92 . 1 1 10 10 GLU C C 13 175.841 0.010 . 1 . . . . 10 E C 3 15446 1 93 . 1 1 10 10 GLU CA C 13 55.599 0.031 . 1 . . . . 10 E CA 8 15446 1 94 . 1 1 10 10 GLU CB C 13 31.047 0.008 . 1 . . . . 10 E CB 6 15446 1 95 . 1 1 10 10 GLU CG C 13 35.993 0.4 . 1 . . . . 10 E CG 3 15446 1 96 . 1 1 10 10 GLU N N 15 120.741 0.056 . 1 . . . . 10 E N 17 15446 1 97 . 1 1 11 11 MET H H 1 8.032 0.006 . 1 . . . . 11 M H 28 15446 1 98 . 1 1 11 11 MET HA H 1 4.912 0.001 . 1 . . . . 11 M HA 3 15446 1 99 . 1 1 11 11 MET HB2 H 1 1.637 0.05 . 2 . . . . 11 M HB2 2 15446 1 100 . 1 1 11 11 MET HB3 H 1 1.931 0.05 . 2 . . . . 11 M HB3 2 15446 1 101 . 1 1 11 11 MET HG2 H 1 2.080 0.05 . 2 . . . . 11 M HG2 2 15446 1 102 . 1 1 11 11 MET HG3 H 1 2.447 0.05 . 2 . . . . 11 M HG3 2 15446 1 103 . 1 1 11 11 MET C C 13 176.383 0.011 . 1 . . . . 11 M C 3 15446 1 104 . 1 1 11 11 MET CA C 13 53.925 0.026 . 1 . . . . 11 M CA 8 15446 1 105 . 1 1 11 11 MET CB C 13 32.731 0.027 . 1 . . . . 11 M CB 5 15446 1 106 . 1 1 11 11 MET CG C 13 32.053 0.4 . 1 . . . . 11 M CG 3 15446 1 107 . 1 1 11 11 MET N N 15 118.683 0.051 . 1 . . . . 11 M N 26 15446 1 108 . 1 1 12 12 VAL H H 1 8.867 0.009 . 1 . . . . 12 V H 27 15446 1 109 . 1 1 12 12 VAL HA H 1 4.455 0.001 . 1 . . . . 12 V HA 3 15446 1 110 . 1 1 12 12 VAL HB H 1 2.015 0.005 . 1 . . . . 12 V HB 5 15446 1 111 . 1 1 12 12 VAL HG21 H 1 0.938 0.006 . 2 . . . . 12 V QG2 8 15446 1 112 . 1 1 12 12 VAL HG22 H 1 0.938 0.006 . 2 . . . . 12 V QG2 8 15446 1 113 . 1 1 12 12 VAL HG23 H 1 0.938 0.006 . 2 . . . . 12 V QG2 8 15446 1 114 . 1 1 12 12 VAL C C 13 175.990 0.028 . 1 . . . . 12 V C 3 15446 1 115 . 1 1 12 12 VAL CA C 13 60.543 0.021 . 1 . . . . 12 V CA 8 15446 1 116 . 1 1 12 12 VAL CB C 13 35.214 0.017 . 1 . . . . 12 V CB 6 15446 1 117 . 1 1 12 12 VAL CG2 C 13 20.876 0.046 . 2 . . . . 12 V CG2 5 15446 1 118 . 1 1 12 12 VAL N N 15 122.471 0.051 . 1 . . . . 12 V N 24 15446 1 119 . 1 1 13 13 SER H H 1 8.771 0.007 . 1 . . . . 13 S H 25 15446 1 120 . 1 1 13 13 SER HA H 1 4.933 0.005 . 1 . . . . 13 S HA 4 15446 1 121 . 1 1 13 13 SER HB3 H 1 3.838 0.002 . 2 . . . . 13 S HB3 3 15446 1 122 . 1 1 13 13 SER C C 13 175.177 0.035 . 1 . . . . 13 S C 3 15446 1 123 . 1 1 13 13 SER CA C 13 58.412 0.029 . 1 . . . . 13 S CA 8 15446 1 124 . 1 1 13 13 SER CB C 13 63.267 0.036 . 1 . . . . 13 S CB 5 15446 1 125 . 1 1 13 13 SER N N 15 122.853 0.064 . 1 . . . . 13 S N 23 15446 1 126 . 1 1 14 14 GLY H H 1 8.786 0.005 . 1 . . . . 14 G H 22 15446 1 127 . 1 1 14 14 GLY HA2 H 1 4.313 0.002 . 2 . . . . 14 G HA2 3 15446 1 128 . 1 1 14 14 GLY HA3 H 1 4.072 0.002 . 2 . . . . 14 G HA3 3 15446 1 129 . 1 1 14 14 GLY C C 13 171.047 0.010 . 1 . . . . 14 G C 3 15446 1 130 . 1 1 14 14 GLY CA C 13 45.588 0.073 . 1 . . . . 14 G CA 9 15446 1 131 . 1 1 14 14 GLY N N 15 113.355 0.066 . 1 . . . . 14 G N 20 15446 1 132 . 1 1 15 15 ILE H H 1 8.033 0.007 . 1 . . . . 15 I H 28 15446 1 133 . 1 1 15 15 ILE HA H 1 4.720 0.002 . 1 . . . . 15 I HA 3 15446 1 134 . 1 1 15 15 ILE HB H 1 1.320 0.007 . 1 . . . . 15 I HB 11 15446 1 135 . 1 1 15 15 ILE HD11 H 1 0.685 0.006 . 2 . . . . 15 I QD1 22 15446 1 136 . 1 1 15 15 ILE HD12 H 1 0.685 0.006 . 2 . . . . 15 I QD1 22 15446 1 137 . 1 1 15 15 ILE HD13 H 1 0.685 0.006 . 2 . . . . 15 I QD1 22 15446 1 138 . 1 1 15 15 ILE HG12 H 1 1.225 0.005 . 2 . . . . 15 I HG12 18 15446 1 139 . 1 1 15 15 ILE HG13 H 1 0.418 0.008 . 2 . . . . 15 I HG13 15 15446 1 140 . 1 1 15 15 ILE HG21 H 1 0.513 0.008 . 2 . . . . 15 I QG2 30 15446 1 141 . 1 1 15 15 ILE HG22 H 1 0.513 0.008 . 2 . . . . 15 I QG2 30 15446 1 142 . 1 1 15 15 ILE HG23 H 1 0.513 0.008 . 2 . . . . 15 I QG2 30 15446 1 143 . 1 1 15 15 ILE C C 13 174.986 0.007 . 1 . . . . 15 I C 3 15446 1 144 . 1 1 15 15 ILE CA C 13 59.965 0.032 . 1 . . . . 15 I CA 8 15446 1 145 . 1 1 15 15 ILE CB C 13 41.303 0.043 . 1 . . . . 15 I CB 9 15446 1 146 . 1 1 15 15 ILE CD1 C 13 13.970 0.082 . 1 . . . . 15 I CD1 12 15446 1 147 . 1 1 15 15 ILE CG1 C 13 26.531 0.058 . 1 . . . . 15 I CG1 18 15446 1 148 . 1 1 15 15 ILE CG2 C 13 17.653 0.065 . 1 . . . . 15 I CG2 17 15446 1 149 . 1 1 15 15 ILE N N 15 117.527 0.104 . 1 . . . . 15 I N 22 15446 1 150 . 1 1 16 16 LYS H H 1 8.007 0.003 . 1 . . . . 16 K H 26 15446 1 151 . 1 1 16 16 LYS HA H 1 4.306 0.002 . 1 . . . . 16 K HA 3 15446 1 152 . 1 1 16 16 LYS HB2 H 1 0.967 0.005 . 2 . . . . 16 K HB2 4 15446 1 153 . 1 1 16 16 LYS HB3 H 1 1.289 0.004 . 2 . . . . 16 K HB3 6 15446 1 154 . 1 1 16 16 LYS C C 13 173.783 0.014 . 1 . . . . 16 K C 3 15446 1 155 . 1 1 16 16 LYS CA C 13 55.201 0.045 . 1 . . . . 16 K CA 8 15446 1 156 . 1 1 16 16 LYS CB C 13 37.053 0.025 . 1 . . . . 16 K CB 8 15446 1 157 . 1 1 16 16 LYS CD C 13 29.254 0.4 . 1 . . . . 16 K CD 1 15446 1 158 . 1 1 16 16 LYS CE C 13 41.886 0.4 . 1 . . . . 16 K CE 1 15446 1 159 . 1 1 16 16 LYS CG C 13 25.054 0.4 . 1 . . . . 16 K CG 1 15446 1 160 . 1 1 16 16 LYS N N 15 124.263 0.039 . 1 . . . . 16 K N 26 15446 1 161 . 1 1 17 17 ASP H H 1 8.055 0.006 . 1 . . . . 17 D H 27 15446 1 162 . 1 1 17 17 ASP HA H 1 5.403 0.004 . 1 . . . . 17 D HA 7 15446 1 163 . 1 1 17 17 ASP HB2 H 1 2.267 0.004 . 2 . . . . 17 D HB2 4 15446 1 164 . 1 1 17 17 ASP HB3 H 1 2.465 0.004 . 2 . . . . 17 D HB3 6 15446 1 165 . 1 1 17 17 ASP C C 13 176.142 0.005 . 1 . . . . 17 D C 2 15446 1 166 . 1 1 17 17 ASP CA C 13 52.606 0.067 . 1 . . . . 17 D CA 8 15446 1 167 . 1 1 17 17 ASP CB C 13 40.250 0.027 . 1 . . . . 17 D CB 9 15446 1 168 . 1 1 17 17 ASP N N 15 122.941 0.037 . 1 . . . . 17 D N 25 15446 1 169 . 1 1 18 18 ILE H H 1 8.832 0.004 . 1 . . . . 18 I H 19 15446 1 170 . 1 1 18 18 ILE HA H 1 4.597 0.001 . 1 . . . . 18 I HA 2 15446 1 171 . 1 1 18 18 ILE HB H 1 1.925 0.001 . 1 . . . . 18 I HB 5 15446 1 172 . 1 1 18 18 ILE HD11 H 1 0.811 0.003 . 2 . . . . 18 I QD1 5 15446 1 173 . 1 1 18 18 ILE HD12 H 1 0.811 0.003 . 2 . . . . 18 I QD1 5 15446 1 174 . 1 1 18 18 ILE HD13 H 1 0.811 0.003 . 2 . . . . 18 I QD1 5 15446 1 175 . 1 1 18 18 ILE HG12 H 1 1.440 0.003 . 2 . . . . 18 I HG12 5 15446 1 176 . 1 1 18 18 ILE HG13 H 1 1.123 0.011 . 2 . . . . 18 I HG13 6 15446 1 177 . 1 1 18 18 ILE HG21 H 1 1.062 0.006 . 2 . . . . 18 I QG2 3 15446 1 178 . 1 1 18 18 ILE HG22 H 1 1.062 0.006 . 2 . . . . 18 I QG2 3 15446 1 179 . 1 1 18 18 ILE HG23 H 1 1.062 0.006 . 2 . . . . 18 I QG2 3 15446 1 180 . 1 1 18 18 ILE CA C 13 57.781 0.040 . 1 . . . . 18 I CA 4 15446 1 181 . 1 1 18 18 ILE CB C 13 41.183 0.031 . 1 . . . . 18 I CB 4 15446 1 182 . 1 1 18 18 ILE CD1 C 13 12.012 0.057 . 1 . . . . 18 I CD1 2 15446 1 183 . 1 1 18 18 ILE CG1 C 13 26.995 0.061 . 1 . . . . 18 I CG1 4 15446 1 184 . 1 1 18 18 ILE CG2 C 13 16.224 0.013 . 1 . . . . 18 I CG2 2 15446 1 185 . 1 1 18 18 ILE N N 15 125.798 0.046 . 1 . . . . 18 I N 18 15446 1 186 . 1 1 19 19 PRO HA H 1 4.886 0.005 . 1 . . . . 19 P HA 7 15446 1 187 . 1 1 19 19 PRO HB2 H 1 1.936 0.004 . 2 . . . . 19 P HB2 5 15446 1 188 . 1 1 19 19 PRO HB3 H 1 2.242 0.008 . 2 . . . . 19 P HB3 5 15446 1 189 . 1 1 19 19 PRO HD3 H 1 3.169 0.05 . 2 . . . . 19 P HD3 2 15446 1 190 . 1 1 19 19 PRO HG2 H 1 1.603 0.05 . 2 . . . . 19 P HG2 2 15446 1 191 . 1 1 19 19 PRO HG3 H 1 1.769 0.05 . 2 . . . . 19 P HG3 2 15446 1 192 . 1 1 19 19 PRO CA C 13 62.709 0.042 . 1 . . . . 19 P CA 6 15446 1 193 . 1 1 19 19 PRO CB C 13 32.295 0.067 . 1 . . . . 19 P CB 7 15446 1 194 . 1 1 19 19 PRO CD C 13 51.178 0.4 . 1 . . . . 19 P CD 2 15446 1 195 . 1 1 19 19 PRO CG C 13 27.437 0.4 . 1 . . . . 19 P CG 3 15446 1 196 . 1 1 20 20 TYR H H 1 8.458 0.004 . 1 . . . . 20 Y H 23 15446 1 197 . 1 1 20 20 TYR HA H 1 4.661 0.004 . 1 . . . . 20 Y HA 5 15446 1 198 . 1 1 20 20 TYR HB2 H 1 2.198 0.005 . 2 . . . . 20 Y HB2 5 15446 1 199 . 1 1 20 20 TYR HB3 H 1 2.815 0.004 . 2 . . . . 20 Y HB3 3 15446 1 200 . 1 1 20 20 TYR HD1 H 1 7.051 0.05 . 3 . . . . 20 Y QD 1 15446 1 201 . 1 1 20 20 TYR HD2 H 1 7.051 0.05 . 3 . . . . 20 Y QD 1 15446 1 202 . 1 1 20 20 TYR CA C 13 58.441 0.032 . 1 . . . . 20 Y CA 8 15446 1 203 . 1 1 20 20 TYR CB C 13 42.852 0.028 . 1 . . . . 20 Y CB 7 15446 1 204 . 1 1 20 20 TYR N N 15 123.657 0.098 . 1 . . . . 20 Y N 23 15446 1 205 . 1 1 21 21 THR H H 1 7.216 0.005 . 1 . . . . 21 T H 21 15446 1 206 . 1 1 21 21 THR HA H 1 5.316 0.004 . 1 . . . . 21 T HA 6 15446 1 207 . 1 1 21 21 THR HB H 1 3.763 0.003 . 1 . . . . 21 T HB 4 15446 1 208 . 1 1 21 21 THR C C 13 172.387 0.019 . 1 . . . . 21 T C 2 15446 1 209 . 1 1 21 21 THR CA C 13 59.881 0.106 . 1 . . . . 21 T CA 8 15446 1 210 . 1 1 21 21 THR CB C 13 70.770 0.150 . 1 . . . . 21 T CB 5 15446 1 211 . 1 1 21 21 THR CG2 C 13 20.822 0.4 . 1 . . . . 21 T CG2 1 15446 1 212 . 1 1 21 21 THR N N 15 120.707 0.037 . 1 . . . . 21 T N 19 15446 1 213 . 1 1 22 22 PHE H H 1 8.884 0.008 . 1 . . . . 22 F H 27 15446 1 214 . 1 1 22 22 PHE HA H 1 4.674 0.004 . 1 . . . . 22 F HA 5 15446 1 215 . 1 1 22 22 PHE HB2 H 1 2.741 0.008 . 2 . . . . 22 F HB2 5 15446 1 216 . 1 1 22 22 PHE HB3 H 1 3.309 0.008 . 2 . . . . 22 F HB3 4 15446 1 217 . 1 1 22 22 PHE HD1 H 1 7.046 0.010 . 3 . . . . 22 F QD 2 15446 1 218 . 1 1 22 22 PHE HD2 H 1 7.046 0.010 . 3 . . . . 22 F QD 2 15446 1 219 . 1 1 22 22 PHE C C 13 173.644 0.041 . 1 . . . . 22 F C 2 15446 1 220 . 1 1 22 22 PHE CA C 13 57.436 0.098 . 1 . . . . 22 F CA 7 15446 1 221 . 1 1 22 22 PHE CB C 13 42.845 0.024 . 1 . . . . 22 F CB 8 15446 1 222 . 1 1 22 22 PHE CD1 C 13 131.862 0.4 . 3 . . . . 22 F CD 1 15446 1 223 . 1 1 22 22 PHE CD2 C 13 131.862 0.4 . 3 . . . . 22 F CD 1 15446 1 224 . 1 1 22 22 PHE N N 15 124.522 0.267 . 1 . . . . 22 F N 25 15446 1 225 . 1 1 23 23 ARG H H 1 8.853 0.006 . 1 . . . . 23 R H 20 15446 1 226 . 1 1 23 23 ARG HA H 1 3.455 0.004 . 1 . . . . 23 R HA 3 15446 1 227 . 1 1 23 23 ARG HB2 H 1 1.052 0.05 . 2 . . . . 23 R HB2 2 15446 1 228 . 1 1 23 23 ARG HB3 H 1 1.630 0.05 . 2 . . . . 23 R HB3 2 15446 1 229 . 1 1 23 23 ARG HD3 H 1 2.653 0.008 . 2 . . . . 23 R HD3 3 15446 1 230 . 1 1 23 23 ARG HE H 1 6.889 0.05 . 1 . . . . 23 R HE 1 15446 1 231 . 1 1 23 23 ARG HG2 H 1 0.137 0.003 . 2 . . . . 23 R HG2 3 15446 1 232 . 1 1 23 23 ARG HG3 H 1 0.800 0.05 . 2 . . . . 23 R HG3 2 15446 1 233 . 1 1 23 23 ARG C C 13 175.887 0.016 . 1 . . . . 23 R C 2 15446 1 234 . 1 1 23 23 ARG CA C 13 57.000 0.098 . 1 . . . . 23 R CA 8 15446 1 235 . 1 1 23 23 ARG CB C 13 27.849 0.031 . 1 . . . . 23 R CB 6 15446 1 236 . 1 1 23 23 ARG CD C 13 43.918 0.4 . 1 . . . . 23 R CD 2 15446 1 237 . 1 1 23 23 ARG CG C 13 26.573 0.4 . 1 . . . . 23 R CG 3 15446 1 238 . 1 1 23 23 ARG N N 15 125.815 0.039 . 1 . . . . 23 R N 19 15446 1 239 . 1 1 23 23 ARG NE N 15 85.470 0.4 . 1 . . . . 23 R NE 1 15446 1 240 . 1 1 24 24 GLY H H 1 8.279 0.004 . 1 . . . . 24 G H 29 15446 1 241 . 1 1 24 24 GLY HA2 H 1 4.061 0.003 . 2 . . . . 24 G HA2 5 15446 1 242 . 1 1 24 24 GLY HA3 H 1 3.465 0.004 . 2 . . . . 24 G HA3 5 15446 1 243 . 1 1 24 24 GLY C C 13 173.801 0.002 . 1 . . . . 24 G C 2 15446 1 244 . 1 1 24 24 GLY CA C 13 45.389 0.093 . 1 . . . . 24 G CA 9 15446 1 245 . 1 1 24 24 GLY N N 15 103.302 0.017 . 1 . . . . 24 G N 27 15446 1 246 . 1 1 25 25 ARG H H 1 8.054 0.004 . 1 . . . . 25 R H 27 15446 1 247 . 1 1 25 25 ARG HA H 1 4.629 0.006 . 1 . . . . 25 R HA 5 15446 1 248 . 1 1 25 25 ARG HB2 H 1 2.078 0.001 . 2 . . . . 25 R HB2 3 15446 1 249 . 1 1 25 25 ARG HB3 H 1 2.156 0.014 . 2 . . . . 25 R HB3 3 15446 1 250 . 1 1 25 25 ARG HD3 H 1 3.196 0.05 . 2 . . . . 25 R HD3 2 15446 1 251 . 1 1 25 25 ARG HE H 1 7.471 0.05 . 1 . . . . 25 R HE 1 15446 1 252 . 1 1 25 25 ARG HG3 H 1 1.700 0.05 . 2 . . . . 25 R HG3 2 15446 1 253 . 1 1 25 25 ARG C C 13 174.796 0.009 . 1 . . . . 25 R C 2 15446 1 254 . 1 1 25 25 ARG CA C 13 54.429 0.034 . 1 . . . . 25 R CA 8 15446 1 255 . 1 1 25 25 ARG CB C 13 31.034 0.035 . 1 . . . . 25 R CB 6 15446 1 256 . 1 1 25 25 ARG CD C 13 42.791 0.4 . 1 . . . . 25 R CD 2 15446 1 257 . 1 1 25 25 ARG CG C 13 27.236 0.4 . 1 . . . . 25 R CG 2 15446 1 258 . 1 1 25 25 ARG N N 15 122.278 0.075 . 1 . . . . 25 R N 25 15446 1 259 . 1 1 25 25 ARG NE N 15 84.784 0.4 . 1 . . . . 25 R NE 1 15446 1 260 . 1 1 26 26 LYS H H 1 8.583 0.005 . 1 . . . . 26 K H 32 15446 1 261 . 1 1 26 26 LYS HA H 1 5.156 0.004 . 1 . . . . 26 K HA 7 15446 1 262 . 1 1 26 26 LYS HB2 H 1 1.644 0.011 . 2 . . . . 26 K HB2 3 15446 1 263 . 1 1 26 26 LYS HB3 H 1 1.789 0.004 . 2 . . . . 26 K HB3 3 15446 1 264 . 1 1 26 26 LYS HE3 H 1 2.858 0.006 . 2 . . . . 26 K HE3 4 15446 1 265 . 1 1 26 26 LYS HG2 H 1 1.567 0.05 . 2 . . . . 26 K HG2 2 15446 1 266 . 1 1 26 26 LYS HG3 H 1 1.319 0.05 . 2 . . . . 26 K HG3 2 15446 1 267 . 1 1 26 26 LYS C C 13 175.816 0.015 . 1 . . . . 26 K C 2 15446 1 268 . 1 1 26 26 LYS CA C 13 55.443 0.022 . 1 . . . . 26 K CA 8 15446 1 269 . 1 1 26 26 LYS CB C 13 35.471 0.011 . 1 . . . . 26 K CB 6 15446 1 270 . 1 1 26 26 LYS CD C 13 29.439 0.4 . 1 . . . . 26 K CD 1 15446 1 271 . 1 1 26 26 LYS CE C 13 42.076 0.005 . 1 . . . . 26 K CE 3 15446 1 272 . 1 1 26 26 LYS CG C 13 24.899 0.4 . 1 . . . . 26 K CG 3 15446 1 273 . 1 1 26 26 LYS N N 15 122.863 0.036 . 1 . . . . 26 K N 30 15446 1 274 . 1 1 27 27 THR H H 1 8.704 0.004 . 1 . . . . 27 T H 34 15446 1 275 . 1 1 27 27 THR HA H 1 4.462 0.012 . 1 . . . . 27 T HA 5 15446 1 276 . 1 1 27 27 THR HB H 1 3.205 0.010 . 1 . . . . 27 T HB 6 15446 1 277 . 1 1 27 27 THR HG21 H 1 3.002 0.05 . 2 . . . . 27 T QG2 2 15446 1 278 . 1 1 27 27 THR HG22 H 1 3.002 0.05 . 2 . . . . 27 T QG2 2 15446 1 279 . 1 1 27 27 THR HG23 H 1 3.002 0.05 . 2 . . . . 27 T QG2 2 15446 1 280 . 1 1 27 27 THR C C 13 172.322 0.027 . 1 . . . . 27 T C 2 15446 1 281 . 1 1 27 27 THR CA C 13 59.144 0.051 . 1 . . . . 27 T CA 8 15446 1 282 . 1 1 27 27 THR CB C 13 70.165 0.107 . 1 . . . . 27 T CB 5 15446 1 283 . 1 1 27 27 THR CG2 C 13 17.831 0.4 . 1 . . . . 27 T CG2 2 15446 1 284 . 1 1 27 27 THR N N 15 118.072 0.021 . 1 . . . . 27 T N 33 15446 1 285 . 1 1 28 28 VAL H H 1 7.717 0.007 . 1 . . . . 28 V H 30 15446 1 286 . 1 1 28 28 VAL HA H 1 4.274 0.003 . 1 . . . . 28 V HA 6 15446 1 287 . 1 1 28 28 VAL HB H 1 1.717 0.003 . 1 . . . . 28 V HB 6 15446 1 288 . 1 1 28 28 VAL HG11 H 1 0.754 0.006 . 2 . . . . 28 V QG1 22 15446 1 289 . 1 1 28 28 VAL HG12 H 1 0.754 0.006 . 2 . . . . 28 V QG1 22 15446 1 290 . 1 1 28 28 VAL HG13 H 1 0.754 0.006 . 2 . . . . 28 V QG1 22 15446 1 291 . 1 1 28 28 VAL HG21 H 1 0.580 0.010 . 2 . . . . 28 V QG2 27 15446 1 292 . 1 1 28 28 VAL HG22 H 1 0.580 0.010 . 2 . . . . 28 V QG2 27 15446 1 293 . 1 1 28 28 VAL HG23 H 1 0.580 0.010 . 2 . . . . 28 V QG2 27 15446 1 294 . 1 1 28 28 VAL C C 13 174.668 0.008 . 1 . . . . 28 V C 2 15446 1 295 . 1 1 28 28 VAL CA C 13 61.578 0.037 . 1 . . . . 28 V CA 8 15446 1 296 . 1 1 28 28 VAL CB C 13 34.267 0.026 . 1 . . . . 28 V CB 6 15446 1 297 . 1 1 28 28 VAL CG1 C 13 21.255 0.149 . 2 . . . . 28 V CG1 13 15446 1 298 . 1 1 28 28 VAL CG2 C 13 21.912 0.050 . 2 . . . . 28 V CG2 15 15446 1 299 . 1 1 28 28 VAL N N 15 121.803 0.094 . 1 . . . . 28 V N 28 15446 1 300 . 1 1 29 29 LEU H H 1 9.078 0.005 . 1 . . . . 29 L H 30 15446 1 301 . 1 1 29 29 LEU HA H 1 4.358 0.007 . 1 . . . . 29 L HA 11 15446 1 302 . 1 1 29 29 LEU HB2 H 1 1.076 0.006 . 2 . . . . 29 L HB2 12 15446 1 303 . 1 1 29 29 LEU HB3 H 1 1.995 0.009 . 2 . . . . 29 L HB3 11 15446 1 304 . 1 1 29 29 LEU HD11 H 1 0.342 0.008 . 2 . . . . 29 L QD1 21 15446 1 305 . 1 1 29 29 LEU HD12 H 1 0.342 0.008 . 2 . . . . 29 L QD1 21 15446 1 306 . 1 1 29 29 LEU HD13 H 1 0.342 0.008 . 2 . . . . 29 L QD1 21 15446 1 307 . 1 1 29 29 LEU HD21 H 1 0.402 0.010 . 2 . . . . 29 L QD2 13 15446 1 308 . 1 1 29 29 LEU HD22 H 1 0.402 0.010 . 2 . . . . 29 L QD2 13 15446 1 309 . 1 1 29 29 LEU HD23 H 1 0.402 0.010 . 2 . . . . 29 L QD2 13 15446 1 310 . 1 1 29 29 LEU HG H 1 1.523 0.063 . 1 . . . . 29 L HG 6 15446 1 311 . 1 1 29 29 LEU C C 13 175.587 0.012 . 1 . . . . 29 L C 2 15446 1 312 . 1 1 29 29 LEU CA C 13 53.420 0.058 . 1 . . . . 29 L CA 12 15446 1 313 . 1 1 29 29 LEU CB C 13 39.886 0.043 . 1 . . . . 29 L CB 14 15446 1 314 . 1 1 29 29 LEU CD1 C 13 26.820 0.058 . 2 . . . . 29 L CD1 14 15446 1 315 . 1 1 29 29 LEU CD2 C 13 22.570 0.072 . 2 . . . . 29 L CD2 10 15446 1 316 . 1 1 29 29 LEU CG C 13 26.330 0.4 . 1 . . . . 29 L CG 1 15446 1 317 . 1 1 29 29 LEU N N 15 129.675 0.030 . 1 . . . . 29 L N 27 15446 1 318 . 1 1 30 30 LYS H H 1 8.300 0.005 . 1 . . . . 30 K H 26 15446 1 319 . 1 1 30 30 LYS HA H 1 4.371 0.003 . 1 . . . . 30 K HA 5 15446 1 320 . 1 1 30 30 LYS HB3 H 1 1.630 0.006 . 2 . . . . 30 K HB3 3 15446 1 321 . 1 1 30 30 LYS HE3 H 1 2.898 0.005 . 2 . . . . 30 K HE3 4 15446 1 322 . 1 1 30 30 LYS HG2 H 1 1.182 0.05 . 2 . . . . 30 K HG2 2 15446 1 323 . 1 1 30 30 LYS HG3 H 1 1.418 0.004 . 2 . . . . 30 K HG3 4 15446 1 324 . 1 1 30 30 LYS CA C 13 56.008 0.030 . 1 . . . . 30 K CA 8 15446 1 325 . 1 1 30 30 LYS CB C 13 33.664 0.047 . 1 . . . . 30 K CB 4 15446 1 326 . 1 1 30 30 LYS CD C 13 28.567 0.4 . 1 . . . . 30 K CD 1 15446 1 327 . 1 1 30 30 LYS CE C 13 41.824 0.4 . 1 . . . . 30 K CE 3 15446 1 328 . 1 1 30 30 LYS CG C 13 24.878 0.048 . 1 . . . . 30 K CG 4 15446 1 329 . 1 1 30 30 LYS N N 15 123.729 0.046 . 1 . . . . 30 K N 25 15446 1 330 . 1 1 31 31 GLY H H 1 8.784 0.007 . 1 . . . . 31 G H 29 15446 1 331 . 1 1 31 31 GLY HA2 H 1 3.639 0.006 . 2 . . . . 31 G HA2 11 15446 1 332 . 1 1 31 31 GLY HA3 H 1 3.487 0.005 . 2 . . . . 31 G HA3 11 15446 1 333 . 1 1 31 31 GLY CA C 13 45.247 9.956 . 1 . . . . 31 G CA 15 15446 1 334 . 1 1 31 31 GLY N N 15 110.328 0.076 . 1 . . . . 31 G N 27 15446 1 335 . 1 1 32 32 ILE H H 1 8.628 0.007 . 1 . . . . 32 I H 20 15446 1 336 . 1 1 32 32 ILE HA H 1 4.153 0.007 . 1 . . . . 32 I HA 6 15446 1 337 . 1 1 32 32 ILE HB H 1 2.415 0.009 . 1 . . . . 32 I HB 6 15446 1 338 . 1 1 32 32 ILE HG12 H 1 1.196 0.014 . 2 . . . . 32 I HG12 4 15446 1 339 . 1 1 32 32 ILE HG21 H 1 0.942 0.002 . 2 . . . . 32 I QG2 15 15446 1 340 . 1 1 32 32 ILE HG22 H 1 0.942 0.002 . 2 . . . . 32 I QG2 15 15446 1 341 . 1 1 32 32 ILE HG23 H 1 0.942 0.002 . 2 . . . . 32 I QG2 15 15446 1 342 . 1 1 32 32 ILE C C 13 178.247 0.022 . 1 . . . . 32 I C 2 15446 1 343 . 1 1 32 32 ILE CA C 13 58.791 0.024 . 1 . . . . 32 I CA 8 15446 1 344 . 1 1 32 32 ILE CB C 13 35.015 0.105 . 1 . . . . 32 I CB 6 15446 1 345 . 1 1 32 32 ILE CD1 C 13 9.142 0.4 . 1 . . . . 32 I CD1 1 15446 1 346 . 1 1 32 32 ILE CG1 C 13 26.026 0.052 . 1 . . . . 32 I CG1 3 15446 1 347 . 1 1 32 32 ILE CG2 C 13 18.468 0.055 . 1 . . . . 32 I CG2 10 15446 1 348 . 1 1 32 32 ILE N N 15 120.372 0.026 . 1 . . . . 32 I N 16 15446 1 349 . 1 1 33 33 HIS H H 1 8.985 0.005 . 1 . . . . 33 H H 26 15446 1 350 . 1 1 33 33 HIS HA H 1 5.237 0.007 . 1 . . . . 33 H HA 6 15446 1 351 . 1 1 33 33 HIS HB2 H 1 3.256 0.003 . 2 . . . . 33 H HB2 6 15446 1 352 . 1 1 33 33 HIS HB3 H 1 3.353 0.008 . 2 . . . . 33 H HB3 6 15446 1 353 . 1 1 33 33 HIS HD2 H 1 7.432 0.008 . 1 . . . . 33 H HD2 3 15446 1 354 . 1 1 33 33 HIS C C 13 173.373 0.029 . 1 . . . . 33 H C 2 15446 1 355 . 1 1 33 33 HIS CA C 13 56.413 0.020 . 1 . . . . 33 H CA 8 15446 1 356 . 1 1 33 33 HIS CB C 13 29.693 0.037 . 1 . . . . 33 H CB 9 15446 1 357 . 1 1 33 33 HIS CD2 C 13 120.047 0.4 . 1 . . . . 33 H CD2 1 15446 1 358 . 1 1 33 33 HIS N N 15 132.798 0.037 . 1 . . . . 33 H N 24 15446 1 359 . 1 1 34 34 GLY H H 1 8.011 0.005 . 1 . . . . 34 G H 24 15446 1 360 . 1 1 34 34 GLY HA2 H 1 4.029 0.002 . 2 . . . . 34 G HA2 3 15446 1 361 . 1 1 34 34 GLY HA3 H 1 3.161 0.05 . 2 . . . . 34 G HA3 3 15446 1 362 . 1 1 34 34 GLY C C 13 170.363 0.010 . 1 . . . . 34 G C 2 15446 1 363 . 1 1 34 34 GLY CA C 13 45.303 0.083 . 1 . . . . 34 G CA 9 15446 1 364 . 1 1 34 34 GLY N N 15 107.781 0.034 . 1 . . . . 34 G N 24 15446 1 365 . 1 1 35 35 LEU H H 1 7.677 0.006 . 1 . . . . 35 L H 20 15446 1 366 . 1 1 35 35 LEU HA H 1 4.610 0.002 . 1 . . . . 35 L HA 3 15446 1 367 . 1 1 35 35 LEU HB2 H 1 1.235 0.006 . 2 . . . . 35 L HB2 7 15446 1 368 . 1 1 35 35 LEU HB3 H 1 1.585 0.004 . 2 . . . . 35 L HB3 5 15446 1 369 . 1 1 35 35 LEU HD11 H 1 0.710 0.006 . 2 . . . . 35 L QD1 16 15446 1 370 . 1 1 35 35 LEU HD12 H 1 0.710 0.006 . 2 . . . . 35 L QD1 16 15446 1 371 . 1 1 35 35 LEU HD13 H 1 0.710 0.006 . 2 . . . . 35 L QD1 16 15446 1 372 . 1 1 35 35 LEU HD21 H 1 0.702 0.006 . 2 . . . . 35 L QD2 16 15446 1 373 . 1 1 35 35 LEU HD22 H 1 0.702 0.006 . 2 . . . . 35 L QD2 16 15446 1 374 . 1 1 35 35 LEU HD23 H 1 0.702 0.006 . 2 . . . . 35 L QD2 16 15446 1 375 . 1 1 35 35 LEU HG H 1 1.573 0.002 . 1 . . . . 35 L HG 3 15446 1 376 . 1 1 35 35 LEU C C 13 175.497 0.4 . 1 . . . . 35 L C 2 15446 1 377 . 1 1 35 35 LEU CA C 13 53.580 0.043 . 1 . . . . 35 L CA 8 15446 1 378 . 1 1 35 35 LEU CB C 13 43.936 0.014 . 1 . . . . 35 L CB 8 15446 1 379 . 1 1 35 35 LEU CD1 C 13 24.867 0.022 . 2 . . . . 35 L CD1 8 15446 1 380 . 1 1 35 35 LEU CD2 C 13 24.097 0.031 . 2 . . . . 35 L CD2 12 15446 1 381 . 1 1 35 35 LEU CG C 13 26.735 0.4 . 1 . . . . 35 L CG 2 15446 1 382 . 1 1 35 35 LEU N N 15 119.232 0.050 . 1 . . . . 35 L N 16 15446 1 383 . 1 1 36 36 TYR H H 1 8.631 0.008 . 1 . . . . 36 Y H 29 15446 1 384 . 1 1 36 36 TYR HA H 1 5.005 0.003 . 1 . . . . 36 Y HA 4 15446 1 385 . 1 1 36 36 TYR HB2 H 1 2.514 0.007 . 2 . . . . 36 Y HB2 4 15446 1 386 . 1 1 36 36 TYR HB3 H 1 2.929 0.013 . 2 . . . . 36 Y HB3 4 15446 1 387 . 1 1 36 36 TYR HD1 H 1 6.826 0.002 . 3 . . . . 36 Y QD 3 15446 1 388 . 1 1 36 36 TYR HD2 H 1 6.826 0.002 . 3 . . . . 36 Y QD 3 15446 1 389 . 1 1 36 36 TYR HE1 H 1 6.551 0.002 . 3 . . . . 36 Y QE 7 15446 1 390 . 1 1 36 36 TYR HE2 H 1 6.551 0.002 . 3 . . . . 36 Y QE 7 15446 1 391 . 1 1 36 36 TYR C C 13 175.425 0.029 . 1 . . . . 36 Y C 2 15446 1 392 . 1 1 36 36 TYR CA C 13 57.308 0.046 . 1 . . . . 36 Y CA 7 15446 1 393 . 1 1 36 36 TYR CB C 13 41.572 0.017 . 1 . . . . 36 Y CB 9 15446 1 394 . 1 1 36 36 TYR CD1 C 13 132.894 0.4 . 3 . . . . 36 Y CD 1 15446 1 395 . 1 1 36 36 TYR CD2 C 13 132.894 0.4 . 3 . . . . 36 Y CD 1 15446 1 396 . 1 1 36 36 TYR CE1 C 13 116.738 0.021 . 3 . . . . 36 Y CE 6 15446 1 397 . 1 1 36 36 TYR CE2 C 13 116.738 0.021 . 3 . . . . 36 Y CE 6 15446 1 398 . 1 1 36 36 TYR N N 15 120.403 0.066 . 1 . . . . 36 Y N 27 15446 1 399 . 1 1 37 37 CYS H H 1 8.332 0.013 . 1 . . . . 37 C H 19 15446 1 400 . 1 1 37 37 CYS HA H 1 4.531 0.05 . 1 . . . . 37 C HA 3 15446 1 401 . 1 1 37 37 CYS C C 13 176.671 0.024 . 1 . . . . 37 C C 2 15446 1 402 . 1 1 37 37 CYS CA C 13 59.813 0.001 . 1 . . . . 37 C CA 3 15446 1 403 . 1 1 37 37 CYS N N 15 126.363 0.070 . 1 . . . . 37 C N 18 15446 1 404 . 1 1 38 38 VAL H H 1 8.271 0.019 . 1 . . . . 38 V H 5 15446 1 405 . 1 1 38 38 VAL HA H 1 4.180 0.001 . 1 . . . . 38 V HA 3 15446 1 406 . 1 1 38 38 VAL HB H 1 2.293 0.013 . 1 . . . . 38 V HB 3 15446 1 407 . 1 1 38 38 VAL HG11 H 1 1.033 0.005 . 2 . . . . 38 V QG1 3 15446 1 408 . 1 1 38 38 VAL HG12 H 1 1.033 0.005 . 2 . . . . 38 V QG1 3 15446 1 409 . 1 1 38 38 VAL HG13 H 1 1.033 0.005 . 2 . . . . 38 V QG1 3 15446 1 410 . 1 1 38 38 VAL CA C 13 63.419 0.108 . 1 . . . . 38 V CA 6 15446 1 411 . 1 1 38 38 VAL CB C 13 31.777 0.098 . 1 . . . . 38 V CB 4 15446 1 412 . 1 1 38 38 VAL CG1 C 13 21.534 0.4 . 2 . . . . 38 V CG1 2 15446 1 413 . 1 1 38 38 VAL CG2 C 13 19.781 0.4 . 2 . . . . 38 V CG2 1 15446 1 414 . 1 1 38 38 VAL N N 15 122.512 0.108 . 1 . . . . 38 V N 5 15446 1 415 . 1 1 39 39 HIS H H 1 10.142 0.018 . 1 . . . . 39 H H 22 15446 1 416 . 1 1 39 39 HIS HA H 1 4.750 0.05 . 1 . . . . 39 H HA 2 15446 1 417 . 1 1 39 39 HIS HB2 H 1 3.060 0.004 . 2 . . . . 39 H HB2 3 15446 1 418 . 1 1 39 39 HIS HB3 H 1 3.359 0.006 . 2 . . . . 39 H HB3 3 15446 1 419 . 1 1 39 39 HIS HD2 H 1 7.425 0.004 . 1 . . . . 39 H HD2 2 15446 1 420 . 1 1 39 39 HIS CA C 13 57.575 0.022 . 1 . . . . 39 H CA 7 15446 1 421 . 1 1 39 39 HIS CB C 13 31.258 0.028 . 1 . . . . 39 H CB 7 15446 1 422 . 1 1 39 39 HIS CD2 C 13 120.203 0.4 . 1 . . . . 39 H CD2 1 15446 1 423 . 1 1 39 39 HIS N N 15 124.290 0.052 . 1 . . . . 39 H N 20 15446 1 424 . 1 1 40 40 CYS H H 1 9.680 0.011 . 1 . . . . 40 C H 20 15446 1 425 . 1 1 40 40 CYS HA H 1 4.479 0.05 . 1 . . . . 40 C HA 2 15446 1 426 . 1 1 40 40 CYS HB3 H 1 2.970 0.05 . 2 . . . . 40 C HB3 2 15446 1 427 . 1 1 40 40 CYS CA C 13 58.315 0.030 . 1 . . . . 40 C CA 7 15446 1 428 . 1 1 40 40 CYS CB C 13 32.214 0.045 . 1 . . . . 40 C CB 5 15446 1 429 . 1 1 40 40 CYS N N 15 126.073 0.115 . 1 . . . . 40 C N 18 15446 1 430 . 1 1 41 41 GLU H H 1 7.722 0.010 . 1 . . . . 41 E H 15 15446 1 431 . 1 1 41 41 GLU CA C 13 61.799 0.028 . 1 . . . . 41 E CA 2 15446 1 432 . 1 1 41 41 GLU CB C 13 28.687 0.4 . 1 . . . . 41 E CB 1 15446 1 433 . 1 1 41 41 GLU N N 15 115.339 0.204 . 1 . . . . 41 E N 14 15446 1 434 . 1 1 42 42 GLU HA H 1 4.369 0.001 . 1 . . . . 42 E HA 3 15446 1 435 . 1 1 42 42 GLU HB3 H 1 1.987 0.013 . 2 . . . . 42 E HB3 5 15446 1 436 . 1 1 42 42 GLU HG3 H 1 2.611 0.05 . 2 . . . . 42 E HG3 2 15446 1 437 . 1 1 42 42 GLU CA C 13 58.003 0.012 . 1 . . . . 42 E CA 6 15446 1 438 . 1 1 42 42 GLU CB C 13 29.740 0.038 . 1 . . . . 42 E CB 5 15446 1 439 . 1 1 42 42 GLU CG C 13 34.516 0.4 . 1 . . . . 42 E CG 2 15446 1 440 . 1 1 43 43 SER H H 1 7.829 0.014 . 1 . . . . 43 S H 18 15446 1 441 . 1 1 43 43 SER HA H 1 5.306 0.05 . 1 . . . . 43 S HA 2 15446 1 442 . 1 1 43 43 SER HB2 H 1 3.288 0.002 . 2 . . . . 43 S HB2 3 15446 1 443 . 1 1 43 43 SER HB3 H 1 3.619 0.004 . 2 . . . . 43 S HB3 3 15446 1 444 . 1 1 43 43 SER C C 13 173.594 0.061 . 1 . . . . 43 S C 2 15446 1 445 . 1 1 43 43 SER CA C 13 55.558 0.023 . 1 . . . . 43 S CA 7 15446 1 446 . 1 1 43 43 SER CB C 13 67.442 0.082 . 1 . . . . 43 S CB 6 15446 1 447 . 1 1 43 43 SER N N 15 117.798 0.135 . 1 . . . . 43 S N 18 15446 1 448 . 1 1 44 44 ILE H H 1 8.673 0.005 . 1 . . . . 44 I H 22 15446 1 449 . 1 1 44 44 ILE HA H 1 4.131 0.05 . 1 . . . . 44 I HA 4 15446 1 450 . 1 1 44 44 ILE HB H 1 1.425 0.004 . 1 . . . . 44 I HB 7 15446 1 451 . 1 1 44 44 ILE HD11 H 1 0.755 0.012 . 2 . . . . 44 I QD1 15 15446 1 452 . 1 1 44 44 ILE HD12 H 1 0.755 0.012 . 2 . . . . 44 I QD1 15 15446 1 453 . 1 1 44 44 ILE HD13 H 1 0.755 0.012 . 2 . . . . 44 I QD1 15 15446 1 454 . 1 1 44 44 ILE HG12 H 1 1.331 0.007 . 2 . . . . 44 I HG12 6 15446 1 455 . 1 1 44 44 ILE HG13 H 1 0.968 0.002 . 2 . . . . 44 I HG13 6 15446 1 456 . 1 1 44 44 ILE HG21 H 1 0.721 0.007 . 2 . . . . 44 I QG2 26 15446 1 457 . 1 1 44 44 ILE HG22 H 1 0.721 0.007 . 2 . . . . 44 I QG2 26 15446 1 458 . 1 1 44 44 ILE HG23 H 1 0.721 0.007 . 2 . . . . 44 I QG2 26 15446 1 459 . 1 1 44 44 ILE C C 13 175.036 0.052 . 1 . . . . 44 I C 3 15446 1 460 . 1 1 44 44 ILE CA C 13 61.011 0.016 . 1 . . . . 44 I CA 8 15446 1 461 . 1 1 44 44 ILE CB C 13 41.703 0.018 . 1 . . . . 44 I CB 7 15446 1 462 . 1 1 44 44 ILE CD1 C 13 13.682 0.096 . 1 . . . . 44 I CD1 9 15446 1 463 . 1 1 44 44 ILE CG1 C 13 27.621 0.043 . 1 . . . . 44 I CG1 7 15446 1 464 . 1 1 44 44 ILE CG2 C 13 16.822 0.045 . 1 . . . . 44 I CG2 16 15446 1 465 . 1 1 44 44 ILE N N 15 122.092 0.040 . 1 . . . . 44 I N 20 15446 1 466 . 1 1 45 45 MET H H 1 8.556 0.005 . 1 . . . . 45 M H 28 15446 1 467 . 1 1 45 45 MET HA H 1 4.928 0.004 . 1 . . . . 45 M HA 4 15446 1 468 . 1 1 45 45 MET HB2 H 1 1.772 0.05 . 2 . . . . 45 M HB2 2 15446 1 469 . 1 1 45 45 MET HB3 H 1 2.029 0.05 . 2 . . . . 45 M HB3 2 15446 1 470 . 1 1 45 45 MET HG2 H 1 2.138 0.004 . 2 . . . . 45 M HG2 4 15446 1 471 . 1 1 45 45 MET HG3 H 1 2.507 0.006 . 2 . . . . 45 M HG3 4 15446 1 472 . 1 1 45 45 MET C C 13 175.933 0.004 . 1 . . . . 45 M C 3 15446 1 473 . 1 1 45 45 MET CA C 13 54.342 0.041 . 1 . . . . 45 M CA 8 15446 1 474 . 1 1 45 45 MET CB C 13 36.801 0.051 . 1 . . . . 45 M CB 6 15446 1 475 . 1 1 45 45 MET CG C 13 32.947 0.064 . 1 . . . . 45 M CG 5 15446 1 476 . 1 1 45 45 MET N N 15 127.264 0.042 . 1 . . . . 45 M N 27 15446 1 477 . 1 1 46 46 ASN H H 1 9.227 0.011 . 1 . . . . 46 N H 22 15446 1 478 . 1 1 46 46 ASN HA H 1 4.639 0.009 . 1 . . . . 46 N HA 5 15446 1 479 . 1 1 46 46 ASN HB2 H 1 2.835 0.003 . 2 . . . . 46 N HB2 4 15446 1 480 . 1 1 46 46 ASN HB3 H 1 3.363 0.004 . 2 . . . . 46 N HB3 6 15446 1 481 . 1 1 46 46 ASN C C 13 175.661 0.043 . 1 . . . . 46 N C 3 15446 1 482 . 1 1 46 46 ASN CA C 13 51.299 0.072 . 1 . . . . 46 N CA 8 15446 1 483 . 1 1 46 46 ASN CB C 13 37.671 0.017 . 1 . . . . 46 N CB 6 15446 1 484 . 1 1 46 46 ASN N N 15 122.664 0.029 . 1 . . . . 46 N N 22 15446 1 485 . 1 1 47 47 LYS H H 1 8.281 0.003 . 1 . . . . 47 K H 28 15446 1 486 . 1 1 47 47 LYS HA H 1 3.982 0.010 . 1 . . . . 47 K HA 6 15446 1 487 . 1 1 47 47 LYS HB2 H 1 1.783 0.05 . 2 . . . . 47 K HB2 2 15446 1 488 . 1 1 47 47 LYS HB3 H 1 1.901 0.004 . 2 . . . . 47 K HB3 3 15446 1 489 . 1 1 47 47 LYS HD3 H 1 1.737 0.05 . 2 . . . . 47 K HD3 2 15446 1 490 . 1 1 47 47 LYS HE3 H 1 3.002 0.05 . 2 . . . . 47 K HE3 2 15446 1 491 . 1 1 47 47 LYS HG3 H 1 1.401 0.05 . 2 . . . . 47 K HG3 2 15446 1 492 . 1 1 47 47 LYS C C 13 177.842 0.018 . 1 . . . . 47 K C 3 15446 1 493 . 1 1 47 47 LYS CA C 13 60.556 0.028 . 1 . . . . 47 K CA 7 15446 1 494 . 1 1 47 47 LYS CB C 13 32.396 0.030 . 1 . . . . 47 K CB 6 15446 1 495 . 1 1 47 47 LYS CD C 13 28.706 0.4 . 1 . . . . 47 K CD 2 15446 1 496 . 1 1 47 47 LYS CE C 13 42.474 0.4 . 1 . . . . 47 K CE 2 15446 1 497 . 1 1 47 47 LYS CG C 13 24.737 0.4 . 1 . . . . 47 K CG 2 15446 1 498 . 1 1 47 47 LYS N N 15 119.675 0.039 . 1 . . . . 47 K N 27 15446 1 499 . 1 1 48 48 GLU H H 1 8.148 0.004 . 1 . . . . 48 E H 32 15446 1 500 . 1 1 48 48 GLU HA H 1 4.087 0.004 . 1 . . . . 48 E HA 6 15446 1 501 . 1 1 48 48 GLU HB2 H 1 2.012 0.05 . 2 . . . . 48 E HB2 2 15446 1 502 . 1 1 48 48 GLU HB3 H 1 2.111 0.05 . 2 . . . . 48 E HB3 2 15446 1 503 . 1 1 48 48 GLU HG2 H 1 2.327 0.05 . 2 . . . . 48 E HG2 2 15446 1 504 . 1 1 48 48 GLU HG3 H 1 2.287 0.05 . 2 . . . . 48 E HG3 2 15446 1 505 . 1 1 48 48 GLU C C 13 180.466 0.010 . 1 . . . . 48 E C 2 15446 1 506 . 1 1 48 48 GLU CA C 13 60.186 0.031 . 1 . . . . 48 E CA 8 15446 1 507 . 1 1 48 48 GLU CB C 13 28.947 0.034 . 1 . . . . 48 E CB 6 15446 1 508 . 1 1 48 48 GLU CG C 13 36.846 0.4 . 1 . . . . 48 E CG 3 15446 1 509 . 1 1 48 48 GLU N N 15 119.340 0.063 . 1 . . . . 48 E N 30 15446 1 510 . 1 1 49 49 GLU H H 1 8.746 0.005 . 1 . . . . 49 E H 26 15446 1 511 . 1 1 49 49 GLU HA H 1 4.104 0.008 . 1 . . . . 49 E HA 6 15446 1 512 . 1 1 49 49 GLU HB2 H 1 2.057 0.05 . 2 . . . . 49 E HB2 2 15446 1 513 . 1 1 49 49 GLU HB3 H 1 2.195 0.05 . 2 . . . . 49 E HB3 2 15446 1 514 . 1 1 49 49 GLU HG3 H 1 2.523 0.05 . 2 . . . . 49 E HG3 2 15446 1 515 . 1 1 49 49 GLU C C 13 180.121 0.011 . 1 . . . . 49 E C 3 15446 1 516 . 1 1 49 49 GLU CA C 13 58.489 0.027 . 1 . . . . 49 E CA 8 15446 1 517 . 1 1 49 49 GLU CB C 13 29.751 0.032 . 1 . . . . 49 E CB 5 15446 1 518 . 1 1 49 49 GLU CG C 13 36.981 0.4 . 1 . . . . 49 E CG 2 15446 1 519 . 1 1 49 49 GLU N N 15 121.520 0.060 . 1 . . . . 49 E N 24 15446 1 520 . 1 1 50 50 SER H H 1 9.096 0.005 . 1 . . . . 50 S H 29 15446 1 521 . 1 1 50 50 SER HA H 1 4.325 0.006 . 1 . . . . 50 S HA 7 15446 1 522 . 1 1 50 50 SER HB3 H 1 3.990 0.004 . 2 . . . . 50 S HB3 5 15446 1 523 . 1 1 50 50 SER C C 13 176.924 0.003 . 1 . . . . 50 S C 2 15446 1 524 . 1 1 50 50 SER CA C 13 61.962 0.058 . 1 . . . . 50 S CA 7 15446 1 525 . 1 1 50 50 SER CB C 13 62.532 0.065 . 1 . . . . 50 S CB 3 15446 1 526 . 1 1 50 50 SER N N 15 117.754 0.070 . 1 . . . . 50 S N 27 15446 1 527 . 1 1 51 51 ASP H H 1 8.616 0.006 . 1 . . . . 51 D H 25 15446 1 528 . 1 1 51 51 ASP HA H 1 4.441 0.004 . 1 . . . . 51 D HA 6 15446 1 529 . 1 1 51 51 ASP HB2 H 1 2.637 0.05 . 2 . . . . 51 D HB2 2 15446 1 530 . 1 1 51 51 ASP HB3 H 1 2.872 0.05 . 2 . . . . 51 D HB3 2 15446 1 531 . 1 1 51 51 ASP C C 13 179.174 0.041 . 1 . . . . 51 D C 3 15446 1 532 . 1 1 51 51 ASP CA C 13 57.586 0.016 . 1 . . . . 51 D CA 7 15446 1 533 . 1 1 51 51 ASP CB C 13 39.872 0.026 . 1 . . . . 51 D CB 6 15446 1 534 . 1 1 51 51 ASP N N 15 122.859 0.053 . 1 . . . . 51 D N 22 15446 1 535 . 1 1 52 52 ALA H H 1 7.850 0.007 . 1 . . . . 52 A H 29 15446 1 536 . 1 1 52 52 ALA HA H 1 4.261 0.013 . 1 . . . . 52 A HA 5 15446 1 537 . 1 1 52 52 ALA HB1 H 1 1.616 0.008 . 2 . . . . 52 A QB 11 15446 1 538 . 1 1 52 52 ALA HB2 H 1 1.616 0.008 . 2 . . . . 52 A QB 11 15446 1 539 . 1 1 52 52 ALA HB3 H 1 1.616 0.008 . 2 . . . . 52 A QB 11 15446 1 540 . 1 1 52 52 ALA C C 13 180.558 0.032 . 1 . . . . 52 A C 3 15446 1 541 . 1 1 52 52 ALA CA C 13 55.289 0.076 . 1 . . . . 52 A CA 8 15446 1 542 . 1 1 52 52 ALA CB C 13 18.173 0.056 . 1 . . . . 52 A CB 9 15446 1 543 . 1 1 52 52 ALA N N 15 123.612 0.063 . 1 . . . . 52 A N 25 15446 1 544 . 1 1 53 53 PHE H H 1 8.178 0.004 . 1 . . . . 53 F H 27 15446 1 545 . 1 1 53 53 PHE HA H 1 4.203 0.005 . 1 . . . . 53 F HA 7 15446 1 546 . 1 1 53 53 PHE HB2 H 1 3.307 0.008 . 2 . . . . 53 F HB2 6 15446 1 547 . 1 1 53 53 PHE HB3 H 1 3.371 0.007 . 2 . . . . 53 F HB3 6 15446 1 548 . 1 1 53 53 PHE HD1 H 1 7.119 0.001 . 3 . . . . 53 F QD 3 15446 1 549 . 1 1 53 53 PHE HD2 H 1 7.119 0.001 . 3 . . . . 53 F QD 3 15446 1 550 . 1 1 53 53 PHE HE1 H 1 7.168 0.001 . 3 . . . . 53 F QE 3 15446 1 551 . 1 1 53 53 PHE HE2 H 1 7.168 0.001 . 3 . . . . 53 F QE 3 15446 1 552 . 1 1 53 53 PHE C C 13 177.106 0.007 . 1 . . . . 53 F C 3 15446 1 553 . 1 1 53 53 PHE CA C 13 61.026 0.078 . 1 . . . . 53 F CA 8 15446 1 554 . 1 1 53 53 PHE CB C 13 39.693 0.051 . 1 . . . . 53 F CB 8 15446 1 555 . 1 1 53 53 PHE CD1 C 13 130.893 0.4 . 3 . . . . 53 F CD 1 15446 1 556 . 1 1 53 53 PHE CD2 C 13 130.893 0.4 . 3 . . . . 53 F CD 1 15446 1 557 . 1 1 53 53 PHE CE1 C 13 130.815 0.045 . 3 . . . . 53 F CE 3 15446 1 558 . 1 1 53 53 PHE CE2 C 13 130.815 0.045 . 3 . . . . 53 F CE 3 15446 1 559 . 1 1 53 53 PHE N N 15 120.681 0.053 . 1 . . . . 53 F N 26 15446 1 560 . 1 1 54 54 MET H H 1 8.932 0.005 . 1 . . . . 54 M H 28 15446 1 561 . 1 1 54 54 MET HA H 1 4.107 0.003 . 1 . . . . 54 M HA 8 15446 1 562 . 1 1 54 54 MET HB2 H 1 1.997 0.05 . 2 . . . . 54 M HB2 2 15446 1 563 . 1 1 54 54 MET HB3 H 1 2.317 0.05 . 2 . . . . 54 M HB3 2 15446 1 564 . 1 1 54 54 MET HG3 H 1 2.771 0.003 . 2 . . . . 54 M HG3 5 15446 1 565 . 1 1 54 54 MET C C 13 178.651 0.006 . 1 . . . . 54 M C 3 15446 1 566 . 1 1 54 54 MET CA C 13 56.423 0.037 . 1 . . . . 54 M CA 8 15446 1 567 . 1 1 54 54 MET CB C 13 30.744 0.036 . 1 . . . . 54 M CB 5 15446 1 568 . 1 1 54 54 MET CG C 13 32.508 0.033 . 1 . . . . 54 M CG 4 15446 1 569 . 1 1 54 54 MET N N 15 117.159 0.049 . 1 . . . . 54 M N 27 15446 1 570 . 1 1 55 55 ALA H H 1 8.189 0.005 . 1 . . . . 55 A H 26 15446 1 571 . 1 1 55 55 ALA HA H 1 4.067 0.006 . 1 . . . . 55 A HA 4 15446 1 572 . 1 1 55 55 ALA HB1 H 1 1.514 0.004 . 2 . . . . 55 A QB 5 15446 1 573 . 1 1 55 55 ALA HB2 H 1 1.514 0.004 . 2 . . . . 55 A QB 5 15446 1 574 . 1 1 55 55 ALA HB3 H 1 1.514 0.004 . 2 . . . . 55 A QB 5 15446 1 575 . 1 1 55 55 ALA C C 13 181.266 0.017 . 1 . . . . 55 A C 3 15446 1 576 . 1 1 55 55 ALA CA C 13 55.407 0.062 . 1 . . . . 55 A CA 8 15446 1 577 . 1 1 55 55 ALA CB C 13 17.799 0.051 . 1 . . . . 55 A CB 6 15446 1 578 . 1 1 55 55 ALA N N 15 122.162 0.086 . 1 . . . . 55 A N 24 15446 1 579 . 1 1 56 56 GLN H H 1 7.278 0.004 . 1 . . . . 56 Q H 26 15446 1 580 . 1 1 56 56 GLN HA H 1 4.092 0.001 . 1 . . . . 56 Q HA 4 15446 1 581 . 1 1 56 56 GLN HB2 H 1 2.002 0.05 . 2 . . . . 56 Q HB2 2 15446 1 582 . 1 1 56 56 GLN HB3 H 1 2.183 0.05 . 2 . . . . 56 Q HB3 2 15446 1 583 . 1 1 56 56 GLN HE21 H 1 7.256 0.05 . 2 . . . . 56 Q HE21 1 15446 1 584 . 1 1 56 56 GLN HE22 H 1 7.176 0.05 . 2 . . . . 56 Q HE22 1 15446 1 585 . 1 1 56 56 GLN HG2 H 1 2.293 0.05 . 2 . . . . 56 Q HG2 2 15446 1 586 . 1 1 56 56 GLN HG3 H 1 2.598 0.05 . 2 . . . . 56 Q HG3 3 15446 1 587 . 1 1 56 56 GLN C C 13 179.103 0.008 . 1 . . . . 56 Q C 3 15446 1 588 . 1 1 56 56 GLN CA C 13 59.428 0.014 . 1 . . . . 56 Q CA 8 15446 1 589 . 1 1 56 56 GLN CB C 13 29.383 0.025 . 1 . . . . 56 Q CB 6 15446 1 590 . 1 1 56 56 GLN CG C 13 35.015 0.4 . 1 . . . . 56 Q CG 3 15446 1 591 . 1 1 56 56 GLN N N 15 117.540 0.073 . 1 . . . . 56 Q N 24 15446 1 592 . 1 1 56 56 GLN NE2 N 15 112.254 0.017 . 1 . . . . 56 Q NE2 3 15446 1 593 . 1 1 57 57 VAL H H 1 7.821 0.004 . 1 . . . . 57 V H 30 15446 1 594 . 1 1 57 57 VAL HA H 1 2.952 0.006 . 1 . . . . 57 V HA 11 15446 1 595 . 1 1 57 57 VAL HB H 1 1.766 0.006 . 1 . . . . 57 V HB 5 15446 1 596 . 1 1 57 57 VAL HG11 H 1 0.426 0.004 . 2 . . . . 57 V QG1 9 15446 1 597 . 1 1 57 57 VAL HG12 H 1 0.426 0.004 . 2 . . . . 57 V QG1 9 15446 1 598 . 1 1 57 57 VAL HG13 H 1 0.426 0.004 . 2 . . . . 57 V QG1 9 15446 1 599 . 1 1 57 57 VAL HG21 H 1 -0.172 0.03 . 2 . . . . 57 V QG2 16 15446 1 600 . 1 1 57 57 VAL HG22 H 1 -0.172 0.03 . 2 . . . . 57 V QG2 16 15446 1 601 . 1 1 57 57 VAL HG23 H 1 -0.172 0.03 . 2 . . . . 57 V QG2 16 15446 1 602 . 1 1 57 57 VAL C C 13 177.876 0.028 . 1 . . . . 57 V C 3 15446 1 603 . 1 1 57 57 VAL CA C 13 66.980 0.095 . 1 . . . . 57 V CA 10 15446 1 604 . 1 1 57 57 VAL CB C 13 31.674 0.043 . 1 . . . . 57 V CB 6 15446 1 605 . 1 1 57 57 VAL CG1 C 13 20.892 0.036 . 2 . . . . 57 V CG1 5 15446 1 606 . 1 1 57 57 VAL CG2 C 13 22.529 0.008 . 2 . . . . 57 V CG2 9 15446 1 607 . 1 1 57 57 VAL N N 15 122.665 0.039 . 1 . . . . 57 V N 28 15446 1 608 . 1 1 58 58 LYS H H 1 8.691 0.005 . 1 . . . . 58 K H 30 15446 1 609 . 1 1 58 58 LYS HA H 1 3.613 0.005 . 1 . . . . 58 K HA 9 15446 1 610 . 1 1 58 58 LYS HB3 H 1 1.781 0.009 . 2 . . . . 58 K HB3 4 15446 1 611 . 1 1 58 58 LYS HD3 H 1 1.565 0.05 . 2 . . . . 58 K HD3 2 15446 1 612 . 1 1 58 58 LYS HE3 H 1 2.847 0.05 . 2 . . . . 58 K HE3 2 15446 1 613 . 1 1 58 58 LYS HG3 H 1 1.288 0.05 . 2 . . . . 58 K HG3 2 15446 1 614 . 1 1 58 58 LYS C C 13 179.408 0.005 . 1 . . . . 58 K C 3 15446 1 615 . 1 1 58 58 LYS CA C 13 60.289 0.023 . 1 . . . . 58 K CA 8 15446 1 616 . 1 1 58 58 LYS CB C 13 32.273 0.063 . 1 . . . . 58 K CB 5 15446 1 617 . 1 1 58 58 LYS CD C 13 29.480 0.4 . 1 . . . . 58 K CD 2 15446 1 618 . 1 1 58 58 LYS CE C 13 41.877 0.4 . 1 . . . . 58 K CE 2 15446 1 619 . 1 1 58 58 LYS CG C 13 26.064 0.4 . 1 . . . . 58 K CG 2 15446 1 620 . 1 1 58 58 LYS N N 15 118.796 0.050 . 1 . . . . 58 K N 28 15446 1 621 . 1 1 59 59 ALA H H 1 7.521 0.005 . 1 . . . . 59 A H 32 15446 1 622 . 1 1 59 59 ALA HA H 1 4.147 0.002 . 1 . . . . 59 A HA 6 15446 1 623 . 1 1 59 59 ALA HB1 H 1 1.489 0.005 . . . . . . 59 A QB 6 15446 1 624 . 1 1 59 59 ALA HB2 H 1 1.489 0.005 . . . . . . 59 A QB 6 15446 1 625 . 1 1 59 59 ALA HB3 H 1 1.489 0.005 . . . . . . 59 A QB 6 15446 1 626 . 1 1 59 59 ALA C C 13 180.176 0.010 . 1 . . . . 59 A C 3 15446 1 627 . 1 1 59 59 ALA CA C 13 54.851 0.063 . 1 . . . . 59 A CA 8 15446 1 628 . 1 1 59 59 ALA CB C 13 17.871 0.282 . 1 . . . . 59 A CB 6 15446 1 629 . 1 1 59 59 ALA N N 15 121.313 0.051 . 1 . . . . 59 A N 30 15446 1 630 . 1 1 60 60 PHE H H 1 7.787 0.006 . 1 . . . . 60 F H 29 15446 1 631 . 1 1 60 60 PHE HA H 1 4.526 0.003 . 1 . . . . 60 F HA 5 15446 1 632 . 1 1 60 60 PHE HB2 H 1 2.888 0.001 . 2 . . . . 60 F HB2 5 15446 1 633 . 1 1 60 60 PHE HB3 H 1 3.301 0.006 . 2 . . . . 60 F HB3 4 15446 1 634 . 1 1 60 60 PHE HD1 H 1 7.099 0.005 . 3 . . . . 60 F QD 2 15446 1 635 . 1 1 60 60 PHE HD2 H 1 7.099 0.005 . 3 . . . . 60 F QD 2 15446 1 636 . 1 1 60 60 PHE C C 13 178.090 0.021 . 1 . . . . 60 F C 2 15446 1 637 . 1 1 60 60 PHE CA C 13 60.713 0.084 . 1 . . . . 60 F CA 8 15446 1 638 . 1 1 60 60 PHE CB C 13 38.704 0.081 . 1 . . . . 60 F CB 7 15446 1 639 . 1 1 60 60 PHE CD1 C 13 131.313 0.4 . 3 . . . . 60 F CD 1 15446 1 640 . 1 1 60 60 PHE CD2 C 13 131.313 0.4 . 3 . . . . 60 F CD 1 15446 1 641 . 1 1 60 60 PHE N N 15 120.083 0.047 . 1 . . . . 60 F N 28 15446 1 642 . 1 1 61 61 ARG H H 1 8.577 0.004 . 1 . . . . 61 R H 27 15446 1 643 . 1 1 61 61 ARG HA H 1 3.320 0.002 . 1 . . . . 61 R HA 8 15446 1 644 . 1 1 61 61 ARG HB2 H 1 1.236 0.05 . 2 . . . . 61 R HB2 3 15446 1 645 . 1 1 61 61 ARG HB3 H 1 1.475 0.05 . 2 . . . . 61 R HB3 2 15446 1 646 . 1 1 61 61 ARG HE H 1 6.486 0.05 . 1 . . . . 61 R HE 1 15446 1 647 . 1 1 61 61 ARG C C 13 177.989 0.047 . 1 . . . . 61 R C 3 15446 1 648 . 1 1 61 61 ARG CA C 13 59.756 0.114 . 1 . . . . 61 R CA 8 15446 1 649 . 1 1 61 61 ARG CB C 13 30.527 0.067 . 1 . . . . 61 R CB 6 15446 1 650 . 1 1 61 61 ARG CD C 13 44.077 0.4 . 1 . . . . 61 R CD 1 15446 1 651 . 1 1 61 61 ARG CG C 13 26.861 0.4 . 1 . . . . 61 R CG 1 15446 1 652 . 1 1 61 61 ARG N N 15 118.460 0.045 . 1 . . . . 61 R N 25 15446 1 653 . 1 1 61 61 ARG NE N 15 83.422 0.4 . 1 . . . . 61 R NE 1 15446 1 654 . 1 1 62 62 ALA H H 1 7.808 0.005 . 1 . . . . 62 A H 30 15446 1 655 . 1 1 62 62 ALA HA H 1 4.070 0.007 . 1 . . . . 62 A HA 8 15446 1 656 . 1 1 62 62 ALA HB1 H 1 1.427 0.012 . 2 . . . . 62 A QB 5 15446 1 657 . 1 1 62 62 ALA HB2 H 1 1.427 0.012 . 2 . . . . 62 A QB 5 15446 1 658 . 1 1 62 62 ALA HB3 H 1 1.427 0.012 . 2 . . . . 62 A QB 5 15446 1 659 . 1 1 62 62 ALA C C 13 180.191 0.004 . 1 . . . . 62 A C 2 15446 1 660 . 1 1 62 62 ALA CA C 13 54.796 0.065 . 1 . . . . 62 A CA 8 15446 1 661 . 1 1 62 62 ALA CB C 13 17.870 0.052 . 1 . . . . 62 A CB 5 15446 1 662 . 1 1 62 62 ALA N N 15 118.781 0.062 . 1 . . . . 62 A N 28 15446 1 663 . 1 1 63 63 SER H H 1 7.630 0.007 . 1 . . . . 63 S H 27 15446 1 664 . 1 1 63 63 SER HA H 1 4.212 0.003 . 1 . . . . 63 S HA 6 15446 1 665 . 1 1 63 63 SER HB3 H 1 3.990 0.004 . 2 . . . . 63 S HB3 6 15446 1 666 . 1 1 63 63 SER C C 13 176.302 0.055 . 1 . . . . 63 S C 2 15446 1 667 . 1 1 63 63 SER CA C 13 61.091 0.030 . 1 . . . . 63 S CA 7 15446 1 668 . 1 1 63 63 SER CB C 13 62.954 0.061 . 1 . . . . 63 S CB 4 15446 1 669 . 1 1 63 63 SER N N 15 115.101 0.053 . 1 . . . . 63 S N 26 15446 1 670 . 1 1 64 64 VAL H H 1 7.706 0.004 . 1 . . . . 64 V H 24 15446 1 671 . 1 1 64 64 VAL HA H 1 3.622 0.003 . 1 . . . . 64 V HA 8 15446 1 672 . 1 1 64 64 VAL HB H 1 1.951 0.009 . 1 . . . . 64 V HB 4 15446 1 673 . 1 1 64 64 VAL HG11 H 1 0.425 0.05 . 2 . . . . 64 V QG1 2 15446 1 674 . 1 1 64 64 VAL HG12 H 1 0.425 0.05 . 2 . . . . 64 V QG1 2 15446 1 675 . 1 1 64 64 VAL HG13 H 1 0.425 0.05 . 2 . . . . 64 V QG1 2 15446 1 676 . 1 1 64 64 VAL HG21 H 1 0.748 0.05 . 2 . . . . 64 V QG2 2 15446 1 677 . 1 1 64 64 VAL HG22 H 1 0.748 0.05 . 2 . . . . 64 V QG2 2 15446 1 678 . 1 1 64 64 VAL HG23 H 1 0.748 0.05 . 2 . . . . 64 V QG2 2 15446 1 679 . 1 1 64 64 VAL C C 13 178.423 0.065 . 1 . . . . 64 V C 2 15446 1 680 . 1 1 64 64 VAL CA C 13 65.374 0.080 . 1 . . . . 64 V CA 8 15446 1 681 . 1 1 64 64 VAL CB C 13 31.981 0.134 . 1 . . . . 64 V CB 5 15446 1 682 . 1 1 64 64 VAL CG1 C 13 21.464 0.4 . 2 . . . . 64 V CG1 2 15446 1 683 . 1 1 64 64 VAL CG2 C 13 22.536 0.4 . 2 . . . . 64 V CG2 2 15446 1 684 . 1 1 64 64 VAL N N 15 122.326 0.072 . 1 . . . . 64 V N 23 15446 1 685 . 1 1 65 65 ASN H H 1 8.361 0.009 . 1 . . . . 65 N H 33 15446 1 686 . 1 1 65 65 ASN HA H 1 4.454 0.006 . 1 . . . . 65 N HA 8 15446 1 687 . 1 1 65 65 ASN HB3 H 1 2.788 0.005 . 2 . . . . 65 N HB3 7 15446 1 688 . 1 1 65 65 ASN HD21 H 1 7.379 0.05 . 2 . . . . 65 N HD21 1 15446 1 689 . 1 1 65 65 ASN HD22 H 1 6.658 0.05 . 2 . . . . 65 N HD22 1 15446 1 690 . 1 1 65 65 ASN C C 13 176.101 0.011 . 1 . . . . 65 N C 3 15446 1 691 . 1 1 65 65 ASN CA C 13 54.813 0.129 . 1 . . . . 65 N CA 8 15446 1 692 . 1 1 65 65 ASN CB C 13 38.383 0.021 . 1 . . . . 65 N CB 5 15446 1 693 . 1 1 65 65 ASN N N 15 119.088 0.063 . 1 . . . . 65 N N 31 15446 1 694 . 1 1 65 65 ASN ND2 N 15 110.893 0.001 . 1 . . . . 65 N ND2 2 15446 1 695 . 1 1 66 66 ALA H H 1 7.622 0.004 . 1 . . . . 66 A H 26 15446 1 696 . 1 1 66 66 ALA HA H 1 4.202 0.011 . 1 . . . . 66 A HA 5 15446 1 697 . 1 1 66 66 ALA HB1 H 1 1.409 0.004 . 2 . . . . 66 A QB 3 15446 1 698 . 1 1 66 66 ALA HB2 H 1 1.409 0.004 . 2 . . . . 66 A QB 3 15446 1 699 . 1 1 66 66 ALA HB3 H 1 1.409 0.004 . 2 . . . . 66 A QB 3 15446 1 700 . 1 1 66 66 ALA C C 13 177.779 0.052 . 1 . . . . 66 A C 2 15446 1 701 . 1 1 66 66 ALA CA C 13 53.194 0.057 . 1 . . . . 66 A CA 8 15446 1 702 . 1 1 66 66 ALA CB C 13 18.773 0.026 . 1 . . . . 66 A CB 5 15446 1 703 . 1 1 66 66 ALA N N 15 120.981 0.028 . 1 . . . . 66 A N 25 15446 1 704 . 1 1 67 67 GLU H H 1 7.626 0.005 . 1 . . . . 67 E H 23 15446 1 705 . 1 1 67 67 GLU HA H 1 4.215 0.008 . 1 . . . . 67 E HA 5 15446 1 706 . 1 1 67 67 GLU HB2 H 1 1.977 0.002 . 2 . . . . 67 E HB2 3 15446 1 707 . 1 1 67 67 GLU HB3 H 1 2.059 0.002 . 2 . . . . 67 E HB3 3 15446 1 708 . 1 1 67 67 GLU HG2 H 1 2.365 0.05 . 2 . . . . 67 E HG2 2 15446 1 709 . 1 1 67 67 GLU HG3 H 1 2.205 0.05 . 2 . . . . 67 E HG3 2 15446 1 710 . 1 1 67 67 GLU C C 13 176.320 0.008 . 1 . . . . 67 E C 2 15446 1 711 . 1 1 67 67 GLU CA C 13 56.845 0.019 . 1 . . . . 67 E CA 8 15446 1 712 . 1 1 67 67 GLU CB C 13 30.445 0.005 . 1 . . . . 67 E CB 6 15446 1 713 . 1 1 67 67 GLU CG C 13 36.291 0.4 . 1 . . . . 67 E CG 3 15446 1 714 . 1 1 67 67 GLU N N 15 117.211 0.021 . 1 . . . . 67 E N 23 15446 1 715 . 1 1 68 68 THR H H 1 7.605 0.005 . 1 . . . . 68 T H 30 15446 1 716 . 1 1 68 68 THR HA H 1 4.324 0.007 . 1 . . . . 68 T HA 5 15446 1 717 . 1 1 68 68 THR HB H 1 4.043 0.009 . 1 . . . . 68 T HB 6 15446 1 718 . 1 1 68 68 THR HG21 H 1 1.072 0.009 . 2 . . . . 68 T QG2 4 15446 1 719 . 1 1 68 68 THR HG22 H 1 1.072 0.009 . 2 . . . . 68 T QG2 4 15446 1 720 . 1 1 68 68 THR HG23 H 1 1.072 0.009 . 2 . . . . 68 T QG2 4 15446 1 721 . 1 1 68 68 THR C C 13 173.666 0.006 . 1 . . . . 68 T C 2 15446 1 722 . 1 1 68 68 THR CA C 13 61.262 0.030 . 1 . . . . 68 T CA 7 15446 1 723 . 1 1 68 68 THR CB C 13 70.523 0.132 . 1 . . . . 68 T CB 5 15446 1 724 . 1 1 68 68 THR CG2 C 13 21.433 0.023 . 1 . . . . 68 T CG2 3 15446 1 725 . 1 1 68 68 THR N N 15 113.090 0.027 . 1 . . . . 68 T N 29 15446 1 726 . 1 1 69 69 VAL H H 1 8.221 0.005 . 1 . . . . 69 V H 26 15446 1 727 . 1 1 69 69 VAL HA H 1 4.251 0.009 . 1 . . . . 69 V HA 9 15446 1 728 . 1 1 69 69 VAL HB H 1 1.972 0.009 . 1 . . . . 69 V HB 8 15446 1 729 . 1 1 69 69 VAL HG11 H 1 0.831 0.011 . 2 . . . . 69 V QG1 5 15446 1 730 . 1 1 69 69 VAL HG12 H 1 0.831 0.011 . 2 . . . . 69 V QG1 5 15446 1 731 . 1 1 69 69 VAL HG13 H 1 0.831 0.011 . 2 . . . . 69 V QG1 5 15446 1 732 . 1 1 69 69 VAL HG21 H 1 0.685 0.002 . 2 . . . . 69 V QG2 2 15446 1 733 . 1 1 69 69 VAL HG22 H 1 0.685 0.002 . 2 . . . . 69 V QG2 2 15446 1 734 . 1 1 69 69 VAL HG23 H 1 0.685 0.002 . 2 . . . . 69 V QG2 2 15446 1 735 . 1 1 69 69 VAL C C 13 173.933 0.042 . 1 . . . . 69 V C 2 15446 1 736 . 1 1 69 69 VAL CA C 13 60.053 0.076 . 1 . . . . 69 V CA 12 15446 1 737 . 1 1 69 69 VAL CB C 13 33.716 0.025 . 1 . . . . 69 V CB 6 15446 1 738 . 1 1 69 69 VAL CG1 C 13 21.193 0.055 . 2 . . . . 69 V CG1 3 15446 1 739 . 1 1 69 69 VAL N N 15 119.124 0.052 . 1 . . . . 69 V N 24 15446 1 740 . 1 1 70 70 ALA H H 1 8.338 0.004 . 1 . . . . 70 A H 26 15446 1 741 . 1 1 70 70 ALA HA H 1 4.678 0.05 . 1 . . . . 70 A HA 1 15446 1 742 . 1 1 70 70 ALA HB1 H 1 1.520 0.003 . 2 . . . . 70 A QB 3 15446 1 743 . 1 1 70 70 ALA HB2 H 1 1.520 0.003 . 2 . . . . 70 A QB 3 15446 1 744 . 1 1 70 70 ALA HB3 H 1 1.520 0.003 . 2 . . . . 70 A QB 3 15446 1 745 . 1 1 70 70 ALA C C 13 176.798 0.4 . 1 . . . . 70 A C 1 15446 1 746 . 1 1 70 70 ALA CA C 13 50.466 0.055 . 1 . . . . 70 A CA 3 15446 1 747 . 1 1 70 70 ALA CB C 13 18.060 0.218 . 1 . . . . 70 A CB 2 15446 1 748 . 1 1 70 70 ALA N N 15 128.477 0.043 . 1 . . . . 70 A N 25 15446 1 749 . 1 1 71 71 PRO HA H 1 4.072 0.004 . 1 . . . . 71 P HA 3 15446 1 750 . 1 1 71 71 PRO HB2 H 1 2.509 0.05 . 2 . . . . 71 P HB2 2 15446 1 751 . 1 1 71 71 PRO HB3 H 1 1.940 0.05 . 2 . . . . 71 P HB3 2 15446 1 752 . 1 1 71 71 PRO C C 13 177.928 0.4 . 1 . . . . 71 P C 1 15446 1 753 . 1 1 71 71 PRO CA C 13 66.153 0.102 . 1 . . . . 71 P CA 6 15446 1 754 . 1 1 71 71 PRO CB C 13 31.918 0.074 . 1 . . . . 71 P CB 5 15446 1 755 . 1 1 71 71 PRO CD C 13 50.554 0.4 . 1 . . . . 71 P CD 1 15446 1 756 . 1 1 71 71 PRO CG C 13 28.058 0.4 . 1 . . . . 71 P CG 1 15446 1 757 . 1 1 72 72 GLU H H 1 8.878 0.006 . 1 . . . . 72 E H 22 15446 1 758 . 1 1 72 72 GLU HA H 1 4.014 0.008 . 1 . . . . 72 E HA 5 15446 1 759 . 1 1 72 72 GLU HB3 H 1 2.044 0.05 . 2 . . . . 72 E HB3 2 15446 1 760 . 1 1 72 72 GLU HG3 H 1 2.345 0.05 . 2 . . . . 72 E HG3 2 15446 1 761 . 1 1 72 72 GLU C C 13 178.712 0.008 . 1 . . . . 72 E C 2 15446 1 762 . 1 1 72 72 GLU CA C 13 59.686 0.061 . 1 . . . . 72 E CA 8 15446 1 763 . 1 1 72 72 GLU CB C 13 28.787 0.012 . 1 . . . . 72 E CB 4 15446 1 764 . 1 1 72 72 GLU CG C 13 36.471 0.4 . 1 . . . . 72 E CG 2 15446 1 765 . 1 1 72 72 GLU N N 15 113.601 0.070 . 1 . . . . 72 E N 21 15446 1 766 . 1 1 73 73 PHE H H 1 7.724 0.005 . 1 . . . . 73 F H 22 15446 1 767 . 1 1 73 73 PHE HA H 1 4.270 0.004 . 1 . . . . 73 F HA 5 15446 1 768 . 1 1 73 73 PHE HB3 H 1 3.352 0.010 . 3 . . . . 73 F HB3 4 15446 1 769 . 1 1 73 73 PHE HE1 H 1 7.357 0.002 . 3 . . . . 73 F QE 4 15446 1 770 . 1 1 73 73 PHE HE2 H 1 7.357 0.002 . 3 . . . . 73 F QE 4 15446 1 771 . 1 1 73 73 PHE C C 13 175.658 0.023 . 1 . . . . 73 F C 2 15446 1 772 . 1 1 73 73 PHE CA C 13 60.929 0.042 . 1 . . . . 73 F CA 6 15446 1 773 . 1 1 73 73 PHE CB C 13 39.341 0.066 . 1 . . . . 73 F CB 4 15446 1 774 . 1 1 73 73 PHE CE1 C 13 131.139 0.018 . 3 . . . . 73 F CE 3 15446 1 775 . 1 1 73 73 PHE CE2 C 13 131.139 0.018 . 3 . . . . 73 F CE 3 15446 1 776 . 1 1 73 73 PHE N N 15 120.941 0.091 . 1 . . . . 73 F N 20 15446 1 777 . 1 1 74 74 ILE H H 1 7.201 0.006 . 1 . . . . 74 I H 17 15446 1 778 . 1 1 74 74 ILE HA H 1 3.163 0.005 . 1 . . . . 74 I HA 7 15446 1 779 . 1 1 74 74 ILE HB H 1 2.152 0.007 . 1 . . . . 74 I HB 3 15446 1 780 . 1 1 74 74 ILE HG12 H 1 1.403 0.05 . 2 . . . . 74 I HG12 2 15446 1 781 . 1 1 74 74 ILE HG13 H 1 1.029 0.05 . 2 . . . . 74 I HG13 2 15446 1 782 . 1 1 74 74 ILE C C 13 176.997 0.005 . 1 . . . . 74 I C 2 15446 1 783 . 1 1 74 74 ILE CA C 13 65.461 0.096 . 1 . . . . 74 I CA 8 15446 1 784 . 1 1 74 74 ILE CB C 13 37.543 0.036 . 1 . . . . 74 I CB 3 15446 1 785 . 1 1 74 74 ILE CD1 C 13 13.799 0.4 . 1 . . . . 74 I CD1 1 15446 1 786 . 1 1 74 74 ILE CG1 C 13 28.343 0.4 . 1 . . . . 74 I CG1 3 15446 1 787 . 1 1 74 74 ILE CG2 C 13 17.918 0.4 . 1 . . . . 74 I CG2 1 15446 1 788 . 1 1 74 74 ILE N N 15 118.069 0.073 . 1 . . . . 74 I N 15 15446 1 789 . 1 1 75 75 VAL H H 1 7.632 0.006 . 1 . . . . 75 V H 29 15446 1 790 . 1 1 75 75 VAL HA H 1 3.509 0.011 . 1 . . . . 75 V HA 7 15446 1 791 . 1 1 75 75 VAL HB H 1 1.989 0.003 . 1 . . . . 75 V HB 5 15446 1 792 . 1 1 75 75 VAL HG11 H 1 1.090 0.006 . 2 . . . . 75 V QG1 8 15446 1 793 . 1 1 75 75 VAL HG12 H 1 1.090 0.006 . 2 . . . . 75 V QG1 8 15446 1 794 . 1 1 75 75 VAL HG13 H 1 1.090 0.006 . 2 . . . . 75 V QG1 8 15446 1 795 . 1 1 75 75 VAL HG21 H 1 0.904 0.004 . 2 . . . . 75 V QG2 12 15446 1 796 . 1 1 75 75 VAL HG22 H 1 0.904 0.004 . 2 . . . . 75 V QG2 12 15446 1 797 . 1 1 75 75 VAL HG23 H 1 0.904 0.004 . 2 . . . . 75 V QG2 12 15446 1 798 . 1 1 75 75 VAL C C 13 177.245 0.005 . 1 . . . . 75 V C 3 15446 1 799 . 1 1 75 75 VAL CA C 13 66.248 0.106 . 1 . . . . 75 V CA 8 15446 1 800 . 1 1 75 75 VAL CB C 13 32.130 0.036 . 1 . . . . 75 V CB 4 15446 1 801 . 1 1 75 75 VAL CG1 C 13 22.236 0.060 . 2 . . . . 75 V CG1 6 15446 1 802 . 1 1 75 75 VAL CG2 C 13 21.224 0.020 . 2 . . . . 75 V CG2 10 15446 1 803 . 1 1 75 75 VAL N N 15 116.351 0.052 . 1 . . . . 75 V N 27 15446 1 804 . 1 1 76 76 LYS H H 1 7.507 0.006 . 1 . . . . 76 K H 31 15446 1 805 . 1 1 76 76 LYS HA H 1 3.822 0.006 . 1 . . . . 76 K HA 8 15446 1 806 . 1 1 76 76 LYS HB2 H 1 1.823 0.003 . 2 . . . . 76 K HB2 3 15446 1 807 . 1 1 76 76 LYS HB3 H 1 1.944 0.001 . 2 . . . . 76 K HB3 3 15446 1 808 . 1 1 76 76 LYS HD3 H 1 1.610 0.05 . 2 . . . . 76 K HD3 2 15446 1 809 . 1 1 76 76 LYS HE3 H 1 2.874 0.05 . 2 . . . . 76 K HE3 2 15446 1 810 . 1 1 76 76 LYS HG3 H 1 1.211 0.05 . 2 . . . . 76 K HG3 2 15446 1 811 . 1 1 76 76 LYS C C 13 180.043 0.006 . 1 . . . . 76 K C 3 15446 1 812 . 1 1 76 76 LYS CA C 13 59.841 0.025 . 1 . . . . 76 K CA 8 15446 1 813 . 1 1 76 76 LYS CB C 13 31.979 0.015 . 1 . . . . 76 K CB 6 15446 1 814 . 1 1 76 76 LYS CD C 13 29.568 0.4 . 1 . . . . 76 K CD 2 15446 1 815 . 1 1 76 76 LYS CE C 13 41.992 0.4 . 1 . . . . 76 K CE 2 15446 1 816 . 1 1 76 76 LYS CG C 13 25.100 0.4 . 1 . . . . 76 K CG 2 15446 1 817 . 1 1 76 76 LYS N N 15 118.149 0.054 . 1 . . . . 76 K N 29 15446 1 818 . 1 1 77 77 VAL H H 1 7.928 0.005 . 1 . . . . 77 V H 36 15446 1 819 . 1 1 77 77 VAL HA H 1 3.427 0.009 . 1 . . . . 77 V HA 7 15446 1 820 . 1 1 77 77 VAL HB H 1 1.587 0.014 . 1 . . . . 77 V HB 6 15446 1 821 . 1 1 77 77 VAL HG11 H 1 0.393 0.009 . 2 . . . . 77 V QG1 9 15446 1 822 . 1 1 77 77 VAL HG12 H 1 0.393 0.009 . 2 . . . . 77 V QG1 9 15446 1 823 . 1 1 77 77 VAL HG13 H 1 0.393 0.009 . 2 . . . . 77 V QG1 9 15446 1 824 . 1 1 77 77 VAL HG21 H 1 0.784 0.002 . 2 . . . . 77 V QG2 5 15446 1 825 . 1 1 77 77 VAL HG22 H 1 0.784 0.002 . 2 . . . . 77 V QG2 5 15446 1 826 . 1 1 77 77 VAL HG23 H 1 0.784 0.002 . 2 . . . . 77 V QG2 5 15446 1 827 . 1 1 77 77 VAL C C 13 177.080 0.015 . 1 . . . . 77 V C 2 15446 1 828 . 1 1 77 77 VAL CA C 13 66.776 0.103 . 1 . . . . 77 V CA 8 15446 1 829 . 1 1 77 77 VAL CB C 13 31.496 0.020 . 1 . . . . 77 V CB 4 15446 1 830 . 1 1 77 77 VAL CG1 C 13 22.651 0.086 . 2 . . . . 77 V CG1 7 15446 1 831 . 1 1 77 77 VAL CG2 C 13 22.154 0.002 . 2 . . . . 77 V CG2 2 15446 1 832 . 1 1 77 77 VAL N N 15 119.543 0.052 . 1 . . . . 77 V N 34 15446 1 833 . 1 1 78 78 ARG H H 1 8.417 0.005 . 1 . . . . 78 R H 29 15446 1 834 . 1 1 78 78 ARG HA H 1 3.613 0.008 . 1 . . . . 78 R HA 10 15446 1 835 . 1 1 78 78 ARG HB2 H 1 1.657 0.05 . 2 . . . . 78 R HB2 2 15446 1 836 . 1 1 78 78 ARG HB3 H 1 2.120 0.05 . 2 . . . . 78 R HB3 3 15446 1 837 . 1 1 78 78 ARG C C 13 178.891 0.006 . 1 . . . . 78 R C 2 15446 1 838 . 1 1 78 78 ARG CA C 13 62.114 0.036 . 1 . . . . 78 R CA 8 15446 1 839 . 1 1 78 78 ARG CB C 13 29.301 0.022 . 1 . . . . 78 R CB 6 15446 1 840 . 1 1 78 78 ARG CD C 13 41.788 0.4 . 1 . . . . 78 R CD 1 15446 1 841 . 1 1 78 78 ARG N N 15 119.955 0.082 . 1 . . . . 78 R N 28 15446 1 842 . 1 1 79 79 LYS H H 1 8.426 0.006 . 1 . . . . 79 K H 26 15446 1 843 . 1 1 79 79 LYS HA H 1 4.110 0.006 . 1 . . . . 79 K HA 7 15446 1 844 . 1 1 79 79 LYS HB3 H 1 1.831 0.05 . 2 . . . . 79 K HB3 2 15446 1 845 . 1 1 79 79 LYS HD3 H 1 1.624 0.05 . 2 . . . . 79 K HD3 2 15446 1 846 . 1 1 79 79 LYS C C 13 180.933 0.015 . 1 . . . . 79 K C 2 15446 1 847 . 1 1 79 79 LYS CA C 13 59.713 0.015 . 1 . . . . 79 K CA 6 15446 1 848 . 1 1 79 79 LYS CB C 13 32.107 0.062 . 1 . . . . 79 K CB 5 15446 1 849 . 1 1 79 79 LYS CD C 13 29.436 0.4 . 1 . . . . 79 K CD 2 15446 1 850 . 1 1 79 79 LYS CG C 13 26.008 0.4 . 1 . . . . 79 K CG 1 15446 1 851 . 1 1 79 79 LYS N N 15 115.637 0.040 . 1 . . . . 79 K N 25 15446 1 852 . 1 1 80 80 LYS H H 1 8.019 0.004 . 1 . . . . 80 K H 25 15446 1 853 . 1 1 80 80 LYS HA H 1 4.097 0.004 . 1 . . . . 80 K HA 5 15446 1 854 . 1 1 80 80 LYS HB3 H 1 2.016 0.007 . 2 . . . . 80 K HB3 5 15446 1 855 . 1 1 80 80 LYS HG3 H 1 1.525 0.05 . 2 . . . . 80 K HG3 2 15446 1 856 . 1 1 80 80 LYS C C 13 177.902 0.023 . 1 . . . . 80 K C 2 15446 1 857 . 1 1 80 80 LYS CA C 13 59.334 0.054 . 1 . . . . 80 K CA 8 15446 1 858 . 1 1 80 80 LYS CB C 13 32.052 0.053 . 1 . . . . 80 K CB 5 15446 1 859 . 1 1 80 80 LYS CD C 13 30.195 0.4 . 1 . . . . 80 K CD 1 15446 1 860 . 1 1 80 80 LYS CE C 13 41.956 0.4 . 1 . . . . 80 K CE 1 15446 1 861 . 1 1 80 80 LYS CG C 13 24.883 0.4 . 1 . . . . 80 K CG 2 15446 1 862 . 1 1 80 80 LYS N N 15 123.204 0.028 . 1 . . . . 80 K N 23 15446 1 863 . 1 1 81 81 LEU H H 1 7.611 0.005 . 1 . . . . 81 L H 29 15446 1 864 . 1 1 81 81 LEU HA H 1 4.233 0.007 . 1 . . . . 81 L HA 4 15446 1 865 . 1 1 81 81 LEU HB2 H 1 1.682 0.008 . 2 . . . . 81 L HB2 3 15446 1 866 . 1 1 81 81 LEU HB3 H 1 1.758 0.005 . 2 . . . . 81 L HB3 6 15446 1 867 . 1 1 81 81 LEU HG H 1 0.890 0.004 . 1 . . . . 81 L HG 7 15446 1 868 . 1 1 81 81 LEU C C 13 175.134 0.4 . 1 . . . . 81 L C 1 15446 1 869 . 1 1 81 81 LEU CA C 13 54.377 0.064 . 1 . . . . 81 L CA 8 15446 1 870 . 1 1 81 81 LEU CB C 13 41.838 0.021 . 1 . . . . 81 L CB 8 15446 1 871 . 1 1 81 81 LEU CD1 C 13 21.978 0.4 . 2 . . . . 81 L CD1 2 15446 1 872 . 1 1 81 81 LEU CG C 13 26.998 0.006 . 1 . . . . 81 L CG 4 15446 1 873 . 1 1 81 81 LEU N N 15 117.256 0.069 . 1 . . . . 81 L N 27 15446 1 874 . 1 1 82 82 SER H H 1 7.899 0.004 . 1 . . . . 82 S H 30 15446 1 875 . 1 1 82 82 SER HA H 1 3.920 0.002 . 1 . . . . 82 S HA 4 15446 1 876 . 1 1 82 82 SER HB3 H 1 4.180 0.006 . 2 . . . . 82 S HB3 5 15446 1 877 . 1 1 82 82 SER C C 13 173.583 0.024 . 1 . . . . 82 S C 2 15446 1 878 . 1 1 82 82 SER CA C 13 58.653 0.136 . 1 . . . . 82 S CA 8 15446 1 879 . 1 1 82 82 SER CB C 13 61.554 0.022 . 1 . . . . 82 S CB 5 15446 1 880 . 1 1 82 82 SER N N 15 112.580 0.058 . 1 . . . . 82 S N 28 15446 1 881 . 1 1 83 83 LEU H H 1 7.232 0.005 . 1 . . . . 83 L H 24 15446 1 882 . 1 1 83 83 LEU HA H 1 5.002 0.003 . 1 . . . . 83 L HA 5 15446 1 883 . 1 1 83 83 LEU HB2 H 1 1.380 0.05 . 2 . . . . 83 L HB2 2 15446 1 884 . 1 1 83 83 LEU HB3 H 1 1.526 0.006 . 2 . . . . 83 L HB3 4 15446 1 885 . 1 1 83 83 LEU HD11 H 1 0.693 0.007 . 2 . . . . 83 L QD1 14 15446 1 886 . 1 1 83 83 LEU HD12 H 1 0.693 0.007 . 2 . . . . 83 L QD1 14 15446 1 887 . 1 1 83 83 LEU HD13 H 1 0.693 0.007 . 2 . . . . 83 L QD1 14 15446 1 888 . 1 1 83 83 LEU HG H 1 1.321 0.05 . 1 . . . . 83 L HG 2 15446 1 889 . 1 1 83 83 LEU C C 13 178.564 0.020 . 1 . . . . 83 L C 2 15446 1 890 . 1 1 83 83 LEU CA C 13 52.514 0.067 . 1 . . . . 83 L CA 8 15446 1 891 . 1 1 83 83 LEU CB C 13 45.504 0.111 . 1 . . . . 83 L CB 5 15446 1 892 . 1 1 83 83 LEU CD1 C 13 22.962 0.038 . 2 . . . . 83 L CD1 12 15446 1 893 . 1 1 83 83 LEU CG C 13 26.659 0.4 . 1 . . . . 83 L CG 2 15446 1 894 . 1 1 83 83 LEU N N 15 116.391 0.104 . 1 . . . . 83 L N 23 15446 1 895 . 1 1 84 84 THR H H 1 9.021 0.013 . 1 . . . . 84 T H 26 15446 1 896 . 1 1 84 84 THR HA H 1 4.374 0.004 . 1 . . . . 84 T HA 7 15446 1 897 . 1 1 84 84 THR HB H 1 4.754 0.007 . 1 . . . . 84 T HB 6 15446 1 898 . 1 1 84 84 THR C C 13 176.012 0.022 . 1 . . . . 84 T C 2 15446 1 899 . 1 1 84 84 THR CA C 13 61.026 0.056 . 1 . . . . 84 T CA 5 15446 1 900 . 1 1 84 84 THR CB C 13 70.900 0.172 . 1 . . . . 84 T CB 5 15446 1 901 . 1 1 84 84 THR CG2 C 13 21.852 0.4 . 1 . . . . 84 T CG2 1 15446 1 902 . 1 1 84 84 THR N N 15 114.350 0.068 . 1 . . . . 84 T N 25 15446 1 903 . 1 1 85 85 GLN H H 1 9.225 0.005 . 1 . . . . 85 Q H 20 15446 1 904 . 1 1 85 85 GLN HA H 1 3.724 0.379 . 1 . . . . 85 Q HA 7 15446 1 905 . 1 1 85 85 GLN HB3 H 1 1.984 0.05 . 2 . . . . 85 Q HB3 2 15446 1 906 . 1 1 85 85 GLN C C 13 179.096 0.014 . 1 . . . . 85 Q C 3 15446 1 907 . 1 1 85 85 GLN CA C 13 61.017 0.056 . 1 . . . . 85 Q CA 8 15446 1 908 . 1 1 85 85 GLN CB C 13 27.937 0.062 . 1 . . . . 85 Q CB 5 15446 1 909 . 1 1 85 85 GLN CG C 13 34.425 0.4 . 1 . . . . 85 Q CG 1 15446 1 910 . 1 1 85 85 GLN N N 15 120.527 0.047 . 1 . . . . 85 Q N 20 15446 1 911 . 1 1 86 86 LYS H H 1 8.516 0.006 . 1 . . . . 86 K H 23 15446 1 912 . 1 1 86 86 LYS HA H 1 4.066 0.005 . 1 . . . . 86 K HA 6 15446 1 913 . 1 1 86 86 LYS HB2 H 1 1.704 0.05 . 2 . . . . 86 K HB2 2 15446 1 914 . 1 1 86 86 LYS HB3 H 1 1.913 0.05 . 2 . . . . 86 K HB3 2 15446 1 915 . 1 1 86 86 LYS HG2 H 1 1.483 0.05 . 2 . . . . 86 K HG2 2 15446 1 916 . 1 1 86 86 LYS HG3 H 1 1.651 0.05 . 2 . . . . 86 K HG3 2 15446 1 917 . 1 1 86 86 LYS C C 13 178.663 0.010 . 1 . . . . 86 K C 3 15446 1 918 . 1 1 86 86 LYS CA C 13 60.097 0.057 . 1 . . . . 86 K CA 7 15446 1 919 . 1 1 86 86 LYS CB C 13 32.940 0.009 . 1 . . . . 86 K CB 6 15446 1 920 . 1 1 86 86 LYS CD C 13 29.607 0.4 . 1 . . . . 86 K CD 1 15446 1 921 . 1 1 86 86 LYS CE C 13 42.148 0.4 . 1 . . . . 86 K CE 1 15446 1 922 . 1 1 86 86 LYS CG C 13 25.006 0.4 . 1 . . . . 86 K CG 3 15446 1 923 . 1 1 86 86 LYS N N 15 121.684 0.045 . 1 . . . . 86 K N 23 15446 1 924 . 1 1 87 87 GLU H H 1 7.786 0.005 . 1 . . . . 87 E H 27 15446 1 925 . 1 1 87 87 GLU HA H 1 3.988 0.006 . 1 . . . . 87 E HA 5 15446 1 926 . 1 1 87 87 GLU HB2 H 1 2.133 0.05 . 2 . . . . 87 E HB2 2 15446 1 927 . 1 1 87 87 GLU HB3 H 1 1.807 0.05 . 2 . . . . 87 E HB3 2 15446 1 928 . 1 1 87 87 GLU C C 13 179.280 0.019 . 1 . . . . 87 E C 3 15446 1 929 . 1 1 87 87 GLU CA C 13 58.775 0.037 . 1 . . . . 87 E CA 8 15446 1 930 . 1 1 87 87 GLU CB C 13 32.100 0.4 . 1 . . . . 87 E CB 3 15446 1 931 . 1 1 87 87 GLU CG C 13 37.162 0.4 . 1 . . . . 87 E CG 1 15446 1 932 . 1 1 87 87 GLU N N 15 119.416 0.061 . 1 . . . . 87 E N 26 15446 1 933 . 1 1 88 88 ALA H H 1 8.367 0.005 . 1 . . . . 88 A H 26 15446 1 934 . 1 1 88 88 ALA HA H 1 3.702 0.005 . 1 . . . . 88 A HA 6 15446 1 935 . 1 1 88 88 ALA HB1 H 1 0.339 0.006 . 2 . . . . 88 A QB 9 15446 1 936 . 1 1 88 88 ALA HB2 H 1 0.339 0.006 . 2 . . . . 88 A QB 9 15446 1 937 . 1 1 88 88 ALA HB3 H 1 0.339 0.006 . 2 . . . . 88 A QB 9 15446 1 938 . 1 1 88 88 ALA C C 13 178.364 0.012 . 1 . . . . 88 A C 4 15446 1 939 . 1 1 88 88 ALA CA C 13 55.098 0.032 . 1 . . . . 88 A CA 8 15446 1 940 . 1 1 88 88 ALA CB C 13 15.525 0.107 . 1 . . . . 88 A CB 8 15446 1 941 . 1 1 88 88 ALA N N 15 119.267 0.101 . 1 . . . . 88 A N 24 15446 1 942 . 1 1 89 89 SER H H 1 7.960 0.006 . 1 . . . . 89 S H 24 15446 1 943 . 1 1 89 89 SER HA H 1 4.433 0.05 . 1 . . . . 89 S HA 1 15446 1 944 . 1 1 89 89 SER HB3 H 1 4.437 0.002 . 2 . . . . 89 S HB3 2 15446 1 945 . 1 1 89 89 SER C C 13 176.367 0.4 . 1 . . . . 89 S C 1 15446 1 946 . 1 1 89 89 SER CA C 13 62.602 0.047 . 1 . . . . 89 S CA 3 15446 1 947 . 1 1 89 89 SER N N 15 114.702 0.078 . 1 . . . . 89 S N 23 15446 1 948 . 1 1 90 90 GLU H H 1 7.713 0.003 . 1 . . . . 90 E H 2 15446 1 949 . 1 1 90 90 GLU HA H 1 3.981 0.008 . 1 . . . . 90 E HA 5 15446 1 950 . 1 1 90 90 GLU HB2 H 1 2.001 0.006 . 2 . . . . 90 E HB2 3 15446 1 951 . 1 1 90 90 GLU HB3 H 1 2.188 0.002 . 2 . . . . 90 E HB3 4 15446 1 952 . 1 1 90 90 GLU HG2 H 1 2.224 0.05 . 2 . . . . 90 E HG2 2 15446 1 953 . 1 1 90 90 GLU HG3 H 1 2.404 0.05 . 2 . . . . 90 E HG3 2 15446 1 954 . 1 1 90 90 GLU C C 13 178.323 0.4 . 1 . . . . 90 E C 1 15446 1 955 . 1 1 90 90 GLU CA C 13 59.204 0.016 . 1 . . . . 90 E CA 6 15446 1 956 . 1 1 90 90 GLU CB C 13 29.490 0.028 . 1 . . . . 90 E CB 5 15446 1 957 . 1 1 90 90 GLU CG C 13 36.331 0.4 . 1 . . . . 90 E CG 3 15446 1 958 . 1 1 91 91 ILE H H 1 7.966 0.005 . 1 . . . . 91 I H 30 15446 1 959 . 1 1 91 91 ILE HA H 1 3.582 0.007 . 1 . . . . 91 I HA 10 15446 1 960 . 1 1 91 91 ILE HB H 1 1.168 0.010 . 1 . . . . 91 I HB 14 15446 1 961 . 1 1 91 91 ILE HD11 H 1 0.606 0.05 . 2 . . . . 91 I QD1 4 15446 1 962 . 1 1 91 91 ILE HD12 H 1 0.606 0.05 . 2 . . . . 91 I QD1 4 15446 1 963 . 1 1 91 91 ILE HD13 H 1 0.606 0.05 . 2 . . . . 91 I QD1 4 15446 1 964 . 1 1 91 91 ILE HG12 H 1 1.648 0.005 . 2 . . . . 91 I HG12 6 15446 1 965 . 1 1 91 91 ILE HG13 H 1 0.891 0.003 . 2 . . . . 91 I HG13 4 15446 1 966 . 1 1 91 91 ILE HG21 H 1 0.012 0.008 . 2 . . . . 91 I QG2 10 15446 1 967 . 1 1 91 91 ILE HG22 H 1 0.012 0.008 . 2 . . . . 91 I QG2 10 15446 1 968 . 1 1 91 91 ILE HG23 H 1 0.012 0.008 . 2 . . . . 91 I QG2 10 15446 1 969 . 1 1 91 91 ILE C C 13 177.082 0.017 . 1 . . . . 91 I C 3 15446 1 970 . 1 1 91 91 ILE CA C 13 64.479 0.076 . 1 . . . . 91 I CA 10 15446 1 971 . 1 1 91 91 ILE CB C 13 39.390 0.067 . 1 . . . . 91 I CB 10 15446 1 972 . 1 1 91 91 ILE CD1 C 13 8.637 0.4 . 1 . . . . 91 I CD1 1 15446 1 973 . 1 1 91 91 ILE CG1 C 13 28.836 0.098 . 1 . . . . 91 I CG1 6 15446 1 974 . 1 1 91 91 ILE CG2 C 13 16.050 0.108 . 1 . . . . 91 I CG2 7 15446 1 975 . 1 1 91 91 ILE N N 15 118.598 0.033 . 1 . . . . 91 I N 29 15446 1 976 . 1 1 92 92 PHE H H 1 8.491 0.005 . 1 . . . . 92 F H 32 15446 1 977 . 1 1 92 92 PHE HA H 1 4.418 0.004 . 1 . . . . 92 F HA 5 15446 1 978 . 1 1 92 92 PHE HB2 H 1 3.367 0.003 . 2 . . . . 92 F HB2 5 15446 1 979 . 1 1 92 92 PHE HB3 H 1 3.468 0.014 . 2 . . . . 92 F HB3 5 15446 1 980 . 1 1 92 92 PHE HD1 H 1 7.552 0.003 . 3 . . . . 92 F QD 4 15446 1 981 . 1 1 92 92 PHE HD2 H 1 7.552 0.003 . 3 . . . . 92 F QD 4 15446 1 982 . 1 1 92 92 PHE HE1 H 1 6.885 0.002 . 3 . . . . 92 F HE 2 15446 1 983 . 1 1 92 92 PHE HE2 H 1 6.885 0.002 . 3 . . . . 92 F HE 2 15446 1 984 . 1 1 92 92 PHE C C 13 177.257 0.003 . 1 . . . . 92 F C 2 15446 1 985 . 1 1 92 92 PHE CA C 13 59.498 0.040 . 1 . . . . 92 F CA 8 15446 1 986 . 1 1 92 92 PHE CB C 13 39.330 0.071 . 1 . . . . 92 F CB 9 15446 1 987 . 1 1 92 92 PHE CD1 C 13 131.700 0.013 . 3 . . . . 92 F CD 2 15446 1 988 . 1 1 92 92 PHE CD2 C 13 131.700 0.013 . 3 . . . . 92 F CD 2 15446 1 989 . 1 1 92 92 PHE CE1 C 13 128.901 0.4 . 3 . . . . 92 F CE 1 15446 1 990 . 1 1 92 92 PHE CE2 C 13 128.901 0.4 . 3 . . . . 92 F CE 1 15446 1 991 . 1 1 92 92 PHE N N 15 113.032 0.028 . 1 . . . . 92 F N 30 15446 1 992 . 1 1 93 93 GLY H H 1 7.597 0.005 . 1 . . . . 93 G H 26 15446 1 993 . 1 1 93 93 GLY HA2 H 1 4.174 0.012 . 2 . . . . 93 G HA2 6 15446 1 994 . 1 1 93 93 GLY HA3 H 1 4.006 0.003 . 2 . . . . 93 G HA3 5 15446 1 995 . 1 1 93 93 GLY C C 13 172.165 0.030 . 1 . . . . 93 G C 2 15446 1 996 . 1 1 93 93 GLY CA C 13 44.594 0.044 . 1 . . . . 93 G CA 8 15446 1 997 . 1 1 93 93 GLY N N 15 107.602 0.084 . 1 . . . . 93 G N 24 15446 1 998 . 1 1 94 94 GLY H H 1 8.270 0.004 . 1 . . . . 94 G H 19 15446 1 999 . 1 1 94 94 GLY HA2 H 1 4.696 0.008 . 2 . . . . 94 G HA2 5 15446 1 1000 . 1 1 94 94 GLY HA3 H 1 3.847 0.009 . 2 . . . . 94 G HA3 5 15446 1 1001 . 1 1 94 94 GLY C C 13 175.535 0.001 . 1 . . . . 94 G C 2 15446 1 1002 . 1 1 94 94 GLY CA C 13 44.851 0.144 . 1 . . . . 94 G CA 10 15446 1 1003 . 1 1 94 94 GLY N N 15 102.696 0.092 . 1 . . . . 94 G N 19 15446 1 1004 . 1 1 95 95 GLY H H 1 8.307 0.004 . 1 . . . . 95 G H 17 15446 1 1005 . 1 1 95 95 GLY HA2 H 1 4.454 0.004 . 2 . . . . 95 G HA2 7 15446 1 1006 . 1 1 95 95 GLY HA3 H 1 3.822 0.008 . 2 . . . . 95 G HA3 6 15446 1 1007 . 1 1 95 95 GLY C C 13 174.370 0.021 . 1 . . . . 95 G C 3 15446 1 1008 . 1 1 95 95 GLY CA C 13 43.860 0.016 . 1 . . . . 95 G CA 9 15446 1 1009 . 1 1 95 95 GLY N N 15 111.041 0.079 . 1 . . . . 95 G N 17 15446 1 1010 . 1 1 96 96 VAL H H 1 8.135 0.004 . 1 . . . . 96 V H 18 15446 1 1011 . 1 1 96 96 VAL HA H 1 3.816 0.005 . 1 . . . . 96 V HA 10 15446 1 1012 . 1 1 96 96 VAL HB H 1 2.022 0.018 . 1 . . . . 96 V HB 5 15446 1 1013 . 1 1 96 96 VAL HG11 H 1 0.992 0.002 . 2 . . . . 96 V QG1 5 15446 1 1014 . 1 1 96 96 VAL HG12 H 1 0.992 0.002 . 2 . . . . 96 V QG1 5 15446 1 1015 . 1 1 96 96 VAL HG13 H 1 0.992 0.002 . 2 . . . . 96 V QG1 5 15446 1 1016 . 1 1 96 96 VAL HG21 H 1 0.941 0.006 . 2 . . . . 96 V QG2 6 15446 1 1017 . 1 1 96 96 VAL HG22 H 1 0.941 0.006 . 2 . . . . 96 V QG2 6 15446 1 1018 . 1 1 96 96 VAL HG23 H 1 0.941 0.006 . 2 . . . . 96 V QG2 6 15446 1 1019 . 1 1 96 96 VAL C C 13 176.903 0.4 . 1 . . . . 96 V C 1 15446 1 1020 . 1 1 96 96 VAL CA C 13 64.826 0.103 . 1 . . . . 96 V CA 7 15446 1 1021 . 1 1 96 96 VAL CB C 13 31.662 0.050 . 1 . . . . 96 V CB 3 15446 1 1022 . 1 1 96 96 VAL CG1 C 13 20.791 0.081 . 2 . . . . 96 V CG1 2 15446 1 1023 . 1 1 96 96 VAL CG2 C 13 20.643 0.098 . 2 . . . . 96 V CG2 3 15446 1 1024 . 1 1 96 96 VAL N N 15 117.632 0.023 . 1 . . . . 96 V N 17 15446 1 1025 . 1 1 97 97 ASN HA H 1 4.782 0.004 . 1 . . . . 97 N HA 7 15446 1 1026 . 1 1 97 97 ASN HB2 H 1 2.771 0.006 . 2 . . . . 97 N HB2 5 15446 1 1027 . 1 1 97 97 ASN HB3 H 1 2.896 0.004 . 2 . . . . 97 N HB3 4 15446 1 1028 . 1 1 97 97 ASN C C 13 176.233 0.4 . 1 . . . . 97 N C 1 15446 1 1029 . 1 1 97 97 ASN CA C 13 53.247 0.106 . 1 . . . . 97 N CA 6 15446 1 1030 . 1 1 97 97 ASN CB C 13 38.239 0.022 . 1 . . . . 97 N CB 5 15446 1 1031 . 1 1 98 98 ALA H H 1 7.655 0.006 . 1 . . . . 98 A H 29 15446 1 1032 . 1 1 98 98 ALA HA H 1 3.432 0.011 . 1 . . . . 98 A HA 9 15446 1 1033 . 1 1 98 98 ALA HB1 H 1 1.270 0.005 . 2 . . . . 98 A QB 10 15446 1 1034 . 1 1 98 98 ALA HB2 H 1 1.270 0.005 . 2 . . . . 98 A QB 10 15446 1 1035 . 1 1 98 98 ALA HB3 H 1 1.270 0.005 . 2 . . . . 98 A QB 10 15446 1 1036 . 1 1 98 98 ALA C C 13 178.024 0.011 . 1 . . . . 98 A C 2 15446 1 1037 . 1 1 98 98 ALA CA C 13 56.111 0.101 . 1 . . . . 98 A CA 8 15446 1 1038 . 1 1 98 98 ALA CB C 13 18.569 0.073 . 1 . . . . 98 A CB 10 15446 1 1039 . 1 1 98 98 ALA N N 15 122.200 0.053 . 1 . . . . 98 A N 27 15446 1 1040 . 1 1 99 99 PHE H H 1 8.192 0.005 . 1 . . . . 99 F H 27 15446 1 1041 . 1 1 99 99 PHE HA H 1 3.696 0.006 . 1 . . . . 99 F HA 7 15446 1 1042 . 1 1 99 99 PHE HB2 H 1 3.127 0.014 . 2 . . . . 99 F HB2 5 15446 1 1043 . 1 1 99 99 PHE HB3 H 1 2.876 0.009 . 2 . . . . 99 F HB3 5 15446 1 1044 . 1 1 99 99 PHE C C 13 177.876 0.007 . 1 . . . . 99 F C 2 15446 1 1045 . 1 1 99 99 PHE CA C 13 62.321 0.040 . 1 . . . . 99 F CA 6 15446 1 1046 . 1 1 99 99 PHE CB C 13 37.309 0.076 . 1 . . . . 99 F CB 5 15446 1 1047 . 1 1 99 99 PHE N N 15 113.625 0.094 . 1 . . . . 99 F N 26 15446 1 1048 . 1 1 100 100 SER H H 1 7.684 0.007 . 1 . . . . 100 S H 26 15446 1 1049 . 1 1 100 100 SER HA H 1 4.106 0.008 . 1 . . . . 100 S HA 6 15446 1 1050 . 1 1 100 100 SER HB3 H 1 3.806 0.006 . 2 . . . . 100 S HB3 8 15446 1 1051 . 1 1 100 100 SER C C 13 176.994 0.007 . 1 . . . . 100 S C 2 15446 1 1052 . 1 1 100 100 SER CA C 13 61.208 0.065 . 1 . . . . 100 S CA 8 15446 1 1053 . 1 1 100 100 SER CB C 13 62.438 0.034 . 1 . . . . 100 S CB 4 15446 1 1054 . 1 1 100 100 SER N N 15 113.961 0.069 . 1 . . . . 100 S N 24 15446 1 1055 . 1 1 101 101 ARG H H 1 7.194 0.004 . 1 . . . . 101 R H 28 15446 1 1056 . 1 1 101 101 ARG HA H 1 4.111 0.003 . 1 . . . . 101 R HA 6 15446 1 1057 . 1 1 101 101 ARG HB2 H 1 1.579 0.005 . 2 . . . . 101 R HB2 4 15446 1 1058 . 1 1 101 101 ARG HB3 H 1 1.739 0.008 . 2 . . . . 101 R HB3 5 15446 1 1059 . 1 1 101 101 ARG HE H 1 7.145 0.05 . 1 . . . . 101 R HE 1 15446 1 1060 . 1 1 101 101 ARG C C 13 180.085 0.005 . 1 . . . . 101 R C 3 15446 1 1061 . 1 1 101 101 ARG CA C 13 59.276 0.030 . 1 . . . . 101 R CA 8 15446 1 1062 . 1 1 101 101 ARG CB C 13 30.506 0.077 . 1 . . . . 101 R CB 6 15446 1 1063 . 1 1 101 101 ARG CD C 13 43.542 0.4 . 1 . . . . 101 R CD 1 15446 1 1064 . 1 1 101 101 ARG CG C 13 27.744 0.4 . 1 . . . . 101 R CG 1 15446 1 1065 . 1 1 101 101 ARG N N 15 118.648 0.090 . 1 . . . . 101 R N 26 15446 1 1066 . 1 1 101 101 ARG NE N 15 84.839 0.4 . 1 . . . . 101 R NE 1 15446 1 1067 . 1 1 102 102 TYR H H 1 8.576 0.006 . 1 . . . . 102 Y H 31 15446 1 1068 . 1 1 102 102 TYR HA H 1 4.764 0.004 . 1 . . . . 102 Y HA 4 15446 1 1069 . 1 1 102 102 TYR HB2 H 1 2.682 0.014 . 2 . . . . 102 Y HB2 3 15446 1 1070 . 1 1 102 102 TYR HB3 H 1 3.011 0.023 . 2 . . . . 102 Y HB3 3 15446 1 1071 . 1 1 102 102 TYR C C 13 180.702 0.003 . 1 . . . . 102 Y C 2 15446 1 1072 . 1 1 102 102 TYR CA C 13 57.071 0.062 . 1 . . . . 102 Y CA 8 15446 1 1073 . 1 1 102 102 TYR CB C 13 37.634 0.046 . 1 . . . . 102 Y CB 5 15446 1 1074 . 1 1 102 102 TYR N N 15 119.044 0.088 . 1 . . . . 102 Y N 30 15446 1 1075 . 1 1 103 103 GLU H H 1 8.419 0.005 . 1 . . . . 103 E H 27 15446 1 1076 . 1 1 103 103 GLU HA H 1 3.910 0.005 . 1 . . . . 103 E HA 5 15446 1 1077 . 1 1 103 103 GLU HB2 H 1 1.900 0.05 . 2 . . . . 103 E HB2 2 15446 1 1078 . 1 1 103 103 GLU HB3 H 1 2.015 0.05 . 2 . . . . 103 E HB3 3 15446 1 1079 . 1 1 103 103 GLU HG3 H 1 2.816 0.05 . 2 . . . . 103 E HG3 2 15446 1 1080 . 1 1 103 103 GLU C C 13 176.793 0.015 . 1 . . . . 103 E C 2 15446 1 1081 . 1 1 103 103 GLU CA C 13 59.282 0.075 . 1 . . . . 103 E CA 8 15446 1 1082 . 1 1 103 103 GLU CB C 13 28.854 0.032 . 1 . . . . 103 E CB 6 15446 1 1083 . 1 1 103 103 GLU CG C 13 38.774 0.4 . 1 . . . . 103 E CG 2 15446 1 1084 . 1 1 103 103 GLU N N 15 116.876 0.087 . 1 . . . . 103 E N 24 15446 1 1085 . 1 1 104 104 LYS H H 1 7.233 0.005 . 1 . . . . 104 K H 29 15446 1 1086 . 1 1 104 104 LYS HA H 1 4.453 0.004 . 1 . . . . 104 K HA 5 15446 1 1087 . 1 1 104 104 LYS HB2 H 1 1.807 0.005 . 2 . . . . 104 K HB2 4 15446 1 1088 . 1 1 104 104 LYS HB3 H 1 1.993 0.010 . 2 . . . . 104 K HB3 4 15446 1 1089 . 1 1 104 104 LYS HD3 H 1 1.645 0.05 . 2 . . . . 104 K HD3 2 15446 1 1090 . 1 1 104 104 LYS HE3 H 1 2.970 0.05 . 2 . . . . 104 K HE3 2 15446 1 1091 . 1 1 104 104 LYS HG3 H 1 1.486 0.05 . 2 . . . . 104 K HG3 2 15446 1 1092 . 1 1 104 104 LYS C C 13 177.003 0.008 . 1 . . . . 104 K C 2 15446 1 1093 . 1 1 104 104 LYS CA C 13 56.068 0.034 . 1 . . . . 104 K CA 8 15446 1 1094 . 1 1 104 104 LYS CB C 13 33.686 0.050 . 1 . . . . 104 K CB 6 15446 1 1095 . 1 1 104 104 LYS CD C 13 29.016 0.4 . 1 . . . . 104 K CD 2 15446 1 1096 . 1 1 104 104 LYS CE C 13 42.095 0.4 . 1 . . . . 104 K CE 2 15446 1 1097 . 1 1 104 104 LYS CG C 13 25.439 0.4 . 1 . . . . 104 K CG 2 15446 1 1098 . 1 1 104 104 LYS N N 15 116.584 0.136 . 1 . . . . 104 K N 28 15446 1 1099 . 1 1 105 105 GLY H H 1 7.646 0.005 . 1 . . . . 105 G H 35 15446 1 1100 . 1 1 105 105 GLY HA2 H 1 4.237 0.005 . 2 . . . . 105 G HA2 6 15446 1 1101 . 1 1 105 105 GLY HA3 H 1 3.930 0.014 . 2 . . . . 105 G HA3 6 15446 1 1102 . 1 1 105 105 GLY C C 13 174.277 0.025 . 1 . . . . 105 G C 3 15446 1 1103 . 1 1 105 105 GLY CA C 13 45.596 0.070 . 1 . . . . 105 G CA 9 15446 1 1104 . 1 1 105 105 GLY N N 15 105.368 0.102 . 1 . . . . 105 G N 33 15446 1 1105 . 1 1 106 106 ASN H H 1 8.069 0.004 . 1 . . . . 106 N H 23 15446 1 1106 . 1 1 106 106 ASN HA H 1 4.787 0.003 . 1 . . . . 106 N HA 6 15446 1 1107 . 1 1 106 106 ASN HB2 H 1 2.902 0.005 . 2 . . . . 106 N HB2 4 15446 1 1108 . 1 1 106 106 ASN HB3 H 1 2.587 0.006 . 2 . . . . 106 N HB3 4 15446 1 1109 . 1 1 106 106 ASN HD21 H 1 7.465 0.05 . 2 . . . . 106 N HD21 1 15446 1 1110 . 1 1 106 106 ASN HD22 H 1 6.835 0.05 . 2 . . . . 106 N HD22 1 15446 1 1111 . 1 1 106 106 ASN C C 13 173.833 0.022 . 1 . . . . 106 N C 3 15446 1 1112 . 1 1 106 106 ASN CA C 13 53.764 0.102 . 1 . . . . 106 N CA 8 15446 1 1113 . 1 1 106 106 ASN CB C 13 39.740 0.009 . 1 . . . . 106 N CB 6 15446 1 1114 . 1 1 106 106 ASN N N 15 115.820 0.065 . 1 . . . . 106 N N 21 15446 1 1115 . 1 1 106 106 ASN ND2 N 15 110.174 0.001 . 1 . . . . 106 N ND2 2 15446 1 1116 . 1 1 107 107 ALA H H 1 7.327 0.004 . 1 . . . . 107 A H 30 15446 1 1117 . 1 1 107 107 ALA HA H 1 4.548 0.004 . 1 . . . . 107 A HA 5 15446 1 1118 . 1 1 107 107 ALA HB1 H 1 1.369 0.005 . 2 . . . . 107 A QB 7 15446 1 1119 . 1 1 107 107 ALA HB2 H 1 1.369 0.005 . 2 . . . . 107 A QB 7 15446 1 1120 . 1 1 107 107 ALA HB3 H 1 1.369 0.005 . 2 . . . . 107 A QB 7 15446 1 1121 . 1 1 107 107 ALA C C 13 175.415 0.017 . 1 . . . . 107 A C 3 15446 1 1122 . 1 1 107 107 ALA CA C 13 51.365 0.033 . 1 . . . . 107 A CA 8 15446 1 1123 . 1 1 107 107 ALA CB C 13 22.234 0.036 . 1 . . . . 107 A CB 8 15446 1 1124 . 1 1 107 107 ALA N N 15 118.140 0.048 . 1 . . . . 107 A N 29 15446 1 1125 . 1 1 108 108 GLN H H 1 8.766 0.004 . 1 . . . . 108 Q H 22 15446 1 1126 . 1 1 108 108 GLN HE21 H 1 7.480 0.002 . 2 . . . . 108 Q HE21 6 15446 1 1127 . 1 1 108 108 GLN HE22 H 1 6.945 0.004 . 2 . . . . 108 Q HE22 7 15446 1 1128 . 1 1 108 108 GLN C C 13 173.550 0.4 . 1 . . . . 108 Q C 1 15446 1 1129 . 1 1 108 108 GLN CA C 13 52.310 0.042 . 1 . . . . 108 Q CA 3 15446 1 1130 . 1 1 108 108 GLN CB C 13 30.044 0.103 . 1 . . . . 108 Q CB 6 15446 1 1131 . 1 1 108 108 GLN CG C 13 33.586 0.024 . 1 . . . . 108 Q CG 5 15446 1 1132 . 1 1 108 108 GLN N N 15 120.729 0.029 . 1 . . . . 108 Q N 21 15446 1 1133 . 1 1 108 108 GLN NE2 N 15 112.466 0.164 . 1 . . . . 108 Q NE2 12 15446 1 1134 . 1 1 116 116 LEU HA H 1 4.213 0.012 . 1 . . . . 116 L HA 4 15446 1 1135 . 1 1 116 116 LEU HB2 H 1 2.111 0.011 . 2 . . . . 116 L HB2 6 15446 1 1136 . 1 1 116 116 LEU HB3 H 1 1.935 0.05 . 2 . . . . 116 L HB3 3 15446 1 1137 . 1 1 116 116 LEU HD11 H 1 1.054 0.004 . 2 . . . . 116 L QD1 10 15446 1 1138 . 1 1 116 116 LEU HD12 H 1 1.054 0.004 . 2 . . . . 116 L QD1 10 15446 1 1139 . 1 1 116 116 LEU HD13 H 1 1.054 0.004 . 2 . . . . 116 L QD1 10 15446 1 1140 . 1 1 116 116 LEU HG H 1 1.947 0.05 . 1 . . . . 116 L HG 2 15446 1 1141 . 1 1 116 116 LEU C C 13 178.449 0.4 . 1 . . . . 116 L C 1 15446 1 1142 . 1 1 116 116 LEU CA C 13 57.964 0.038 . 1 . . . . 116 L CA 4 15446 1 1143 . 1 1 116 116 LEU CB C 13 42.398 0.010 . 1 . . . . 116 L CB 4 15446 1 1144 . 1 1 116 116 LEU CD1 C 13 23.337 0.039 . 2 . . . . 116 L CD1 8 15446 1 1145 . 1 1 116 116 LEU CG C 13 26.694 0.4 . 1 . . . . 116 L CG 2 15446 1 1146 . 1 1 117 117 LEU H H 1 8.504 0.005 . 1 . . . . 117 L H 23 15446 1 1147 . 1 1 117 117 LEU HA H 1 3.965 0.014 . 1 . . . . 117 L HA 5 15446 1 1148 . 1 1 117 117 LEU HB2 H 1 1.247 0.014 . 2 . . . . 117 L HB2 3 15446 1 1149 . 1 1 117 117 LEU HB3 H 1 2.222 0.015 . 2 . . . . 117 L HB3 4 15446 1 1150 . 1 1 117 117 LEU HD11 H 1 0.355 0.003 . 2 . . . . 117 L QD1 4 15446 1 1151 . 1 1 117 117 LEU HD12 H 1 0.355 0.003 . 2 . . . . 117 L QD1 4 15446 1 1152 . 1 1 117 117 LEU HD13 H 1 0.355 0.003 . 2 . . . . 117 L QD1 4 15446 1 1153 . 1 1 117 117 LEU HD21 H 1 0.612 0.007 . 2 . . . . 117 L QD2 3 15446 1 1154 . 1 1 117 117 LEU HD22 H 1 0.612 0.007 . 2 . . . . 117 L QD2 3 15446 1 1155 . 1 1 117 117 LEU HD23 H 1 0.612 0.007 . 2 . . . . 117 L QD2 3 15446 1 1156 . 1 1 117 117 LEU C C 13 178.551 0.018 . 1 . . . . 117 L C 2 15446 1 1157 . 1 1 117 117 LEU CA C 13 58.626 0.062 . 1 . . . . 117 L CA 8 15446 1 1158 . 1 1 117 117 LEU CB C 13 41.704 0.050 . 1 . . . . 117 L CB 6 15446 1 1159 . 1 1 117 117 LEU CD1 C 13 22.196 0.022 . 2 . . . . 117 L CD1 3 15446 1 1160 . 1 1 117 117 LEU CD2 C 13 21.775 0.4 . 2 . . . . 117 L CD2 1 15446 1 1161 . 1 1 117 117 LEU CG C 13 26.646 0.4 . 1 . . . . 117 L CG 1 15446 1 1162 . 1 1 117 117 LEU N N 15 118.937 0.078 . 1 . . . . 117 L N 22 15446 1 1163 . 1 1 118 118 ARG H H 1 8.210 0.005 . 1 . . . . 118 R H 33 15446 1 1164 . 1 1 118 118 ARG HA H 1 4.242 0.007 . 1 . . . . 118 R HA 4 15446 1 1165 . 1 1 118 118 ARG HB2 H 1 1.898 0.05 . 2 . . . . 118 R HB2 2 15446 1 1166 . 1 1 118 118 ARG HB3 H 1 2.260 0.05 . 2 . . . . 118 R HB3 2 15446 1 1167 . 1 1 118 118 ARG HE H 1 7.000 0.002 . 1 . . . . 118 R HE 3 15446 1 1168 . 1 1 118 118 ARG C C 13 180.137 0.007 . 1 . . . . 118 R C 2 15446 1 1169 . 1 1 118 118 ARG CA C 13 60.551 0.027 . 1 . . . . 118 R CA 8 15446 1 1170 . 1 1 118 118 ARG CB C 13 31.133 0.684 . 1 . . . . 118 R CB 4 15446 1 1171 . 1 1 118 118 ARG CD C 13 44.010 0.102 . 1 . . . . 118 R CD 2 15446 1 1172 . 1 1 118 118 ARG CG C 13 28.234 0.076 . 1 . . . . 118 R CG 2 15446 1 1173 . 1 1 118 118 ARG N N 15 117.440 0.090 . 1 . . . . 118 R N 30 15446 1 1174 . 1 1 118 118 ARG NE N 15 84.310 0.4 . 1 . . . . 118 R NE 3 15446 1 1175 . 1 1 119 119 VAL H H 1 8.028 0.009 . 1 . . . . 119 V H 23 15446 1 1176 . 1 1 119 119 VAL HA H 1 3.959 0.009 . 1 . . . . 119 V HA 6 15446 1 1177 . 1 1 119 119 VAL HB H 1 2.329 0.005 . 1 . . . . 119 V HB 6 15446 1 1178 . 1 1 119 119 VAL HG11 H 1 1.080 0.002 . 2 . . . . 119 V QG1 9 15446 1 1179 . 1 1 119 119 VAL HG12 H 1 1.080 0.002 . 2 . . . . 119 V QG1 9 15446 1 1180 . 1 1 119 119 VAL HG13 H 1 1.080 0.002 . 2 . . . . 119 V QG1 9 15446 1 1181 . 1 1 119 119 VAL HG21 H 1 0.935 0.006 . 2 . . . . 119 V QG2 11 15446 1 1182 . 1 1 119 119 VAL HG22 H 1 0.935 0.006 . 2 . . . . 119 V QG2 11 15446 1 1183 . 1 1 119 119 VAL HG23 H 1 0.935 0.006 . 2 . . . . 119 V QG2 11 15446 1 1184 . 1 1 119 119 VAL C C 13 177.848 0.040 . 1 . . . . 119 V C 3 15446 1 1185 . 1 1 119 119 VAL CA C 13 66.464 0.099 . 1 . . . . 119 V CA 8 15446 1 1186 . 1 1 119 119 VAL CB C 13 32.127 0.040 . 1 . . . . 119 V CB 4 15446 1 1187 . 1 1 119 119 VAL CG1 C 13 23.237 0.022 . 2 . . . . 119 V CG1 8 15446 1 1188 . 1 1 119 119 VAL CG2 C 13 22.315 0.113 . 2 . . . . 119 V CG2 8 15446 1 1189 . 1 1 119 119 VAL N N 15 119.957 0.102 . 1 . . . . 119 V N 21 15446 1 1190 . 1 1 120 120 LEU H H 1 8.450 0.006 . 1 . . . . 120 L H 28 15446 1 1191 . 1 1 120 120 LEU HA H 1 3.973 0.006 . 1 . . . . 120 L HA 5 15446 1 1192 . 1 1 120 120 LEU HB2 H 1 1.521 0.014 . 2 . . . . 120 L HB2 3 15446 1 1193 . 1 1 120 120 LEU HB3 H 1 1.891 0.012 . 2 . . . . 120 L HB3 4 15446 1 1194 . 1 1 120 120 LEU HD11 H 1 0.819 0.003 . 2 . . . . 120 L QD1 4 15446 1 1195 . 1 1 120 120 LEU HD12 H 1 0.819 0.003 . 2 . . . . 120 L QD1 4 15446 1 1196 . 1 1 120 120 LEU HD13 H 1 0.819 0.003 . 2 . . . . 120 L QD1 4 15446 1 1197 . 1 1 120 120 LEU C C 13 176.665 0.008 . 1 . . . . 120 L C 2 15446 1 1198 . 1 1 120 120 LEU CA C 13 56.699 0.032 . 1 . . . . 120 L CA 8 15446 1 1199 . 1 1 120 120 LEU CB C 13 41.790 0.029 . 1 . . . . 120 L CB 6 15446 1 1200 . 1 1 120 120 LEU CD1 C 13 23.500 0.040 . 2 . . . . 120 L CD1 3 15446 1 1201 . 1 1 120 120 LEU CG C 13 27.367 0.4 . 1 . . . . 120 L CG 1 15446 1 1202 . 1 1 120 120 LEU N N 15 120.613 0.093 . 1 . . . . 120 L N 26 15446 1 1203 . 1 1 121 121 ASP H H 1 7.973 0.005 . 1 . . . . 121 D H 32 15446 1 1204 . 1 1 121 121 ASP HA H 1 4.189 0.015 . 1 . . . . 121 D HA 6 15446 1 1205 . 1 1 121 121 ASP HB2 H 1 2.759 0.014 . 2 . . . . 121 D HB2 5 15446 1 1206 . 1 1 121 121 ASP HB3 H 1 2.942 0.007 . 2 . . . . 121 D HB3 5 15446 1 1207 . 1 1 121 121 ASP C C 13 177.560 0.021 . 1 . . . . 121 D C 2 15446 1 1208 . 1 1 121 121 ASP CA C 13 56.941 0.049 . 1 . . . . 121 D CA 8 15446 1 1209 . 1 1 121 121 ASP CB C 13 42.662 0.008 . 1 . . . . 121 D CB 6 15446 1 1210 . 1 1 121 121 ASP N N 15 114.945 0.053 . 1 . . . . 121 D N 30 15446 1 1211 . 1 1 122 122 LYS H H 1 6.704 0.005 . 1 . . . . 122 K H 30 15446 1 1212 . 1 1 122 122 LYS HA H 1 4.063 0.002 . 1 . . . . 122 K HA 5 15446 1 1213 . 1 1 122 122 LYS HB2 H 1 1.390 0.006 . 2 . . . . 122 K HB2 4 15446 1 1214 . 1 1 122 122 LYS HB3 H 1 1.663 0.004 . 2 . . . . 122 K HB3 3 15446 1 1215 . 1 1 122 122 LYS HD3 H 1 1.615 0.05 . 2 . . . . 122 K HD3 2 15446 1 1216 . 1 1 122 122 LYS HE3 H 1 2.971 0.05 . 2 . . . . 122 K HE3 2 15446 1 1217 . 1 1 122 122 LYS HG3 H 1 1.145 0.05 . 2 . . . . 122 K HG3 2 15446 1 1218 . 1 1 122 122 LYS C C 13 176.570 0.040 . 1 . . . . 122 K C 3 15446 1 1219 . 1 1 122 122 LYS CA C 13 56.662 0.036 . 1 . . . . 122 K CA 8 15446 1 1220 . 1 1 122 122 LYS CB C 13 34.002 0.025 . 1 . . . . 122 K CB 6 15446 1 1221 . 1 1 122 122 LYS CD C 13 28.509 0.4 . 1 . . . . 122 K CD 2 15446 1 1222 . 1 1 122 122 LYS CE C 13 42.161 0.4 . 1 . . . . 122 K CE 2 15446 1 1223 . 1 1 122 122 LYS CG C 13 25.451 0.4 . 1 . . . . 122 K CG 2 15446 1 1224 . 1 1 122 122 LYS N N 15 113.143 0.069 . 1 . . . . 122 K N 28 15446 1 1225 . 1 1 123 123 HIS H H 1 8.150 0.006 . 1 . . . . 123 H H 36 15446 1 1226 . 1 1 123 123 HIS HA H 1 5.142 0.009 . 1 . . . . 123 H HA 6 15446 1 1227 . 1 1 123 123 HIS HD2 H 1 7.399 0.001 . 1 . . . . 123 H HD2 4 15446 1 1228 . 1 1 123 123 HIS C C 13 171.852 0.4 . 1 . . . . 123 H C 1 15446 1 1229 . 1 1 123 123 HIS CA C 13 52.181 0.023 . 1 . . . . 123 H CA 3 15446 1 1230 . 1 1 123 123 HIS CB C 13 28.020 0.003 . 1 . . . . 123 H CB 2 15446 1 1231 . 1 1 123 123 HIS CD2 C 13 121.579 0.028 . 1 . . . . 123 H CD2 3 15446 1 1232 . 1 1 123 123 HIS N N 15 116.229 0.054 . 1 . . . . 123 H N 34 15446 1 1233 . 1 1 124 124 PRO HA H 1 4.475 0.006 . 1 . . . . 124 P HA 7 15446 1 1234 . 1 1 124 124 PRO HB2 H 1 1.963 0.05 . 2 . . . . 124 P HB2 2 15446 1 1235 . 1 1 124 124 PRO HB3 H 1 2.192 0.011 . 2 . . . . 124 P HB3 3 15446 1 1236 . 1 1 124 124 PRO HG3 H 1 1.989 0.05 . 2 . . . . 124 P HG3 2 15446 1 1237 . 1 1 124 124 PRO C C 13 178.941 0.005 . 1 . . . . 124 P C 2 15446 1 1238 . 1 1 124 124 PRO CA C 13 65.649 0.091 . 1 . . . . 124 P CA 6 15446 1 1239 . 1 1 124 124 PRO CB C 13 31.481 0.097 . 1 . . . . 124 P CB 5 15446 1 1240 . 1 1 124 124 PRO CD C 13 49.831 0.4 . 1 . . . . 124 P CD 1 15446 1 1241 . 1 1 124 124 PRO CG C 13 27.456 0.4 . 1 . . . . 124 P CG 2 15446 1 1242 . 1 1 125 125 GLU H H 1 10.115 0.007 . 1 . . . . 125 E H 29 15446 1 1243 . 1 1 125 125 GLU HA H 1 4.241 0.015 . 1 . . . . 125 E HA 5 15446 1 1244 . 1 1 125 125 GLU HB3 H 1 2.163 0.007 . 2 . . . . 125 E HB3 3 15446 1 1245 . 1 1 125 125 GLU C C 13 178.140 0.007 . 1 . . . . 125 E C 2 15446 1 1246 . 1 1 125 125 GLU CA C 13 58.337 0.018 . 1 . . . . 125 E CA 8 15446 1 1247 . 1 1 125 125 GLU CB C 13 27.164 0.044 . 1 . . . . 125 E CB 5 15446 1 1248 . 1 1 125 125 GLU CG C 13 35.155 0.4 . 1 . . . . 125 E CG 1 15446 1 1249 . 1 1 125 125 GLU N N 15 121.240 0.038 . 1 . . . . 125 E N 28 15446 1 1250 . 1 1 126 126 LEU H H 1 7.975 0.007 . 1 . . . . 126 L H 26 15446 1 1251 . 1 1 126 126 LEU HA H 1 4.141 0.004 . 1 . . . . 126 L HA 8 15446 1 1252 . 1 1 126 126 LEU HB2 H 1 1.356 0.004 . 2 . . . . 126 L HB2 5 15446 1 1253 . 1 1 126 126 LEU HB3 H 1 1.826 0.003 . 2 . . . . 126 L HB3 5 15446 1 1254 . 1 1 126 126 LEU HD11 H 1 0.442 0.05 . 2 . . . . 126 L QD1 2 15446 1 1255 . 1 1 126 126 LEU HD12 H 1 0.442 0.05 . 2 . . . . 126 L QD1 2 15446 1 1256 . 1 1 126 126 LEU HD13 H 1 0.442 0.05 . 2 . . . . 126 L QD1 2 15446 1 1257 . 1 1 126 126 LEU C C 13 178.119 0.002 . 1 . . . . 126 L C 2 15446 1 1258 . 1 1 126 126 LEU CA C 13 56.048 0.042 . 1 . . . . 126 L CA 8 15446 1 1259 . 1 1 126 126 LEU CB C 13 41.055 0.021 . 1 . . . . 126 L CB 4 15446 1 1260 . 1 1 126 126 LEU CD1 C 13 22.005 0.4 . 2 . . . . 126 L CD1 2 15446 1 1261 . 1 1 126 126 LEU CG C 13 26.652 0.4 . 1 . . . . 126 L CG 1 15446 1 1262 . 1 1 126 126 LEU N N 15 120.767 0.128 . 1 . . . . 126 L N 24 15446 1 1263 . 1 1 127 127 LEU H H 1 7.697 0.005 . 1 . . . . 127 L H 30 15446 1 1264 . 1 1 127 127 LEU HA H 1 3.868 0.010 . 1 . . . . 127 L HA 7 15446 1 1265 . 1 1 127 127 LEU HB2 H 1 1.618 0.006 . 2 . . . . 127 L HB2 5 15446 1 1266 . 1 1 127 127 LEU HB3 H 1 1.908 0.010 . 2 . . . . 127 L HB3 5 15446 1 1267 . 1 1 127 127 LEU HD11 H 1 1.024 0.05 . 2 . . . . 127 L QD1 2 15446 1 1268 . 1 1 127 127 LEU HD12 H 1 1.024 0.05 . 2 . . . . 127 L QD1 2 15446 1 1269 . 1 1 127 127 LEU HD13 H 1 1.024 0.05 . 2 . . . . 127 L QD1 2 15446 1 1270 . 1 1 127 127 LEU HD21 H 1 0.891 0.005 . 2 . . . . 127 L QD2 3 15446 1 1271 . 1 1 127 127 LEU HD22 H 1 0.891 0.005 . 2 . . . . 127 L QD2 3 15446 1 1272 . 1 1 127 127 LEU HD23 H 1 0.891 0.005 . 2 . . . . 127 L QD2 3 15446 1 1273 . 1 1 127 127 LEU C C 13 177.746 0.054 . 1 . . . . 127 L C 3 15446 1 1274 . 1 1 127 127 LEU CA C 13 57.935 0.021 . 1 . . . . 127 L CA 8 15446 1 1275 . 1 1 127 127 LEU CB C 13 41.711 0.033 . 1 . . . . 127 L CB 6 15446 1 1276 . 1 1 127 127 LEU CD1 C 13 23.215 0.4 . 2 . . . . 127 L CD1 2 15446 1 1277 . 1 1 127 127 LEU CD2 C 13 27.015 0.022 . 2 . . . . 127 L CD2 3 15446 1 1278 . 1 1 127 127 LEU N N 15 120.827 0.071 . 1 . . . . 127 L N 28 15446 1 1279 . 1 1 128 128 ASN H H 1 7.581 0.005 . 1 . . . . 128 N H 35 15446 1 1280 . 1 1 128 128 ASN HA H 1 4.383 0.009 . 1 . . . . 128 N HA 8 15446 1 1281 . 1 1 128 128 ASN HB3 H 1 2.847 0.007 . 2 . . . . 128 N HB3 5 15446 1 1282 . 1 1 128 128 ASN HD21 H 1 7.580 0.05 . 2 . . . . 128 N HD21 1 15446 1 1283 . 1 1 128 128 ASN HD22 H 1 7.019 0.05 . 2 . . . . 128 N HD22 1 15446 1 1284 . 1 1 128 128 ASN C C 13 176.635 0.014 . 1 . . . . 128 N C 2 15446 1 1285 . 1 1 128 128 ASN CA C 13 55.487 0.142 . 1 . . . . 128 N CA 8 15446 1 1286 . 1 1 128 128 ASN CB C 13 38.442 0.094 . 1 . . . . 128 N CB 5 15446 1 1287 . 1 1 128 128 ASN N N 15 112.180 0.057 . 1 . . . . 128 N N 33 15446 1 1288 . 1 1 128 128 ASN ND2 N 15 113.156 0.007 . 1 . . . . 128 N ND2 2 15446 1 1289 . 1 1 129 129 GLU H H 1 7.711 0.006 . 1 . . . . 129 E H 27 15446 1 1290 . 1 1 129 129 GLU HA H 1 4.286 0.008 . 1 . . . . 129 E HA 7 15446 1 1291 . 1 1 129 129 GLU HB3 H 1 2.190 0.004 . 2 . . . . 129 E HB3 3 15446 1 1292 . 1 1 129 129 GLU HG3 H 1 2.321 0.05 . 2 . . . . 129 E HG3 2 15446 1 1293 . 1 1 129 129 GLU C C 13 177.791 0.004 . 1 . . . . 129 E C 2 15446 1 1294 . 1 1 129 129 GLU CA C 13 57.784 0.080 . 1 . . . . 129 E CA 8 15446 1 1295 . 1 1 129 129 GLU CB C 13 30.362 0.036 . 1 . . . . 129 E CB 5 15446 1 1296 . 1 1 129 129 GLU CG C 13 36.628 0.4 . 1 . . . . 129 E CG 2 15446 1 1297 . 1 1 129 129 GLU N N 15 115.847 0.137 . 1 . . . . 129 E N 26 15446 1 1298 . 1 1 130 130 ILE H H 1 7.231 0.004 . 1 . . . . 130 I H 28 15446 1 1299 . 1 1 130 130 ILE HA H 1 4.570 0.004 . 1 . . . . 130 I HA 6 15446 1 1300 . 1 1 130 130 ILE HB H 1 2.048 0.005 . 1 . . . . 130 I HB 4 15446 1 1301 . 1 1 130 130 ILE HD11 H 1 0.662 0.004 . 2 . . . . 130 I QD1 4 15446 1 1302 . 1 1 130 130 ILE HD12 H 1 0.662 0.004 . 2 . . . . 130 I QD1 4 15446 1 1303 . 1 1 130 130 ILE HD13 H 1 0.662 0.004 . 2 . . . . 130 I QD1 4 15446 1 1304 . 1 1 130 130 ILE HG12 H 1 1.295 0.05 . 2 . . . . 130 I HG12 2 15446 1 1305 . 1 1 130 130 ILE HG21 H 1 0.827 0.002 . 2 . . . . 130 I QG2 3 15446 1 1306 . 1 1 130 130 ILE HG22 H 1 0.827 0.002 . 2 . . . . 130 I QG2 3 15446 1 1307 . 1 1 130 130 ILE HG23 H 1 0.827 0.002 . 2 . . . . 130 I QG2 3 15446 1 1308 . 1 1 130 130 ILE C C 13 174.027 0.030 . 1 . . . . 130 I C 3 15446 1 1309 . 1 1 130 130 ILE CA C 13 60.806 0.027 . 1 . . . . 130 I CA 8 15446 1 1310 . 1 1 130 130 ILE CB C 13 39.618 0.049 . 1 . . . . 130 I CB 5 15446 1 1311 . 1 1 130 130 ILE CD1 C 13 15.659 0.4 . 1 . . . . 130 I CD1 2 15446 1 1312 . 1 1 130 130 ILE CG1 C 13 26.290 0.4 . 1 . . . . 130 I CG1 2 15446 1 1313 . 1 1 130 130 ILE CG2 C 13 18.812 0.4 . 1 . . . . 130 I CG2 2 15446 1 1314 . 1 1 130 130 ILE N N 15 109.105 0.105 . 1 . . . . 130 I N 26 15446 1 1315 . 1 1 131 131 ARG H H 1 7.132 0.004 . 1 . . . . 131 R H 32 15446 1 1316 . 1 1 131 131 ARG HA H 1 3.939 0.001 . 1 . . . . 131 R HA 2 15446 1 1317 . 1 1 131 131 ARG HE H 1 7.127 0.05 . 1 . . . . 131 R HE 1 15446 1 1318 . 1 1 131 131 ARG C C 13 180.448 0.4 . 1 . . . . 131 R C 1 15446 1 1319 . 1 1 131 131 ARG CA C 13 58.463 0.017 . 1 . . . . 131 R CA 3 15446 1 1320 . 1 1 131 131 ARG CB C 13 31.255 0.4 . 1 . . . . 131 R CB 1 15446 1 1321 . 1 1 131 131 ARG N N 15 126.254 0.026 . 1 . . . . 131 R N 31 15446 1 1322 . 1 1 131 131 ARG NE N 15 83.937 0.4 . 1 . . . . 131 R NE 1 15446 1 stop_ save_