data_17288 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17288 _Entry.Title ; 1H, 13C, and 15N backbone and side-chain chemical shift assignment of the staphylococcal toxin MazF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-09 _Entry.Accession_date 2010-11-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Valentina Zorzini . . . 17288 2 Ambrose Cheung . . . 17288 3 Remy Loris . . . 17288 4 Nico 'van Nuland' . A.J. . 17288 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17288 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 523 17288 '15N chemical shifts' 121 17288 '1H chemical shifts' 876 17288 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-13 2010-11-09 update BMRB 'update entry citation' 17288 1 . . 2011-01-10 2010-11-09 original author 'original release' 17288 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MF2 'BMRB Entry Tracking System' 17288 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17288 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21213075 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N backbone and side-chain chemical shift assignment of the staphylococcal MazF mRNA interferase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 157 _Citation.Page_last 160 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Valentina Zorzini . . . 17288 1 2 Sarah Haesaerts . . . 17288 1 3 Ambrose Cheung . . . 17288 1 4 Remy Loris . . . 17288 1 5 Nico 'van Nuland' . A.J. . 17288 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MazF 17288 1 'Staphylococcus aureus' 17288 1 'Toxin-Antitoxin module' 17288 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17288 _Assembly.ID 1 _Assembly.Name SaMazF _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14791.9 _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 SaMazF 1 $SaMazF A . yes native no no . . . 17288 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SaMazF _Entity.Sf_category entity _Entity.Sf_framecode SaMazF _Entity.Entry_ID 17288 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SaMazF _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 ; GSSHHHHHHSQDPIRRGDVY LADLSPVQGSEQGGVRPVVI IQNDTGNKYSPTVIVAAITG RINKAKIPTHVEIEKKKYKL DKDSVILLEQIRTLDKKRLK EKLTYLSDDKMKEVDNALMI SLGLNAVAHQKN ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MF2 . "Structural And Biophysical Characterization Of The Mrna Interferase Samazf From Staphylococcus Aureus" . . . . . 100.00 132 100.00 100.00 1.28e-88 . . . . 17288 1 2 no PDB 4MZM . "Mazf From S. Aureus Crystal Form I, P212121, 2.1 A" . . . . . 100.00 133 100.00 100.00 1.03e-88 . . . . 17288 1 3 no PDB 4MZP . "Mazf From S. Aureus Crystal Form Iii, C2221, 2.7 A" . . . . . 100.00 133 100.00 100.00 1.03e-88 . . . . 17288 1 4 no PDB 4MZT . "Mazf From S. Aureus Crystal Form Ii, C2221, 2.3 A" . . . . . 100.00 133 100.00 100.00 1.03e-88 . . . . 17288 1 5 no PDB 4OF1 . "Crystal Structure Of Toxin From Staphylococcus Aureus Mu50" . . . . . 90.15 128 100.00 100.00 6.12e-77 . . . . 17288 1 6 no DBJ BAB43155 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus N315]" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 7 no DBJ BAB58230 . "similar to pemK family of DNA-binding protein [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 8 no DBJ BAB95857 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus MW2]" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 9 no DBJ BAF68246 . "PemK family of DNA-binding protein [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 10 no DBJ BAF78936 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 11 no EMBL CAA68928 . "ORF1 [Staphylococcus aureus]" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 12 no EMBL CAA71064 . "unnamed protein product [Staphylococcus aureus subsp. aureus COL]" . . . . . 87.88 136 99.14 99.14 3.26e-74 . . . . 17288 1 13 no EMBL CAG41137 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 90.15 120 99.16 99.16 6.08e-77 . . . . 17288 1 14 no EMBL CAG43780 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 15 no EMBL CAI81642 . "conserved hypothetical protein [Staphylococcus aureus RF122]" . . . . . 87.88 117 100.00 100.00 3.06e-75 . . . . 17288 1 16 no GB AAW37020 . "PemK family protein [Staphylococcus aureus subsp. aureus COL]" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 17 no GB ABD22408 . "PemK family protein [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 18 no GB ABD31337 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 19 no GB ABQ49887 . "transcriptional modulator of MazE/toxin, MazF [Staphylococcus aureus subsp. aureus JH9]" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 20 no GB ABR52972 . "PemK family protein [Staphylococcus aureus subsp. aureus JH1]" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 21 no REF WP_000621174 . "mRNA interferase MazF [Staphylococcus aureus]" . . . . . 87.88 117 100.00 100.00 3.06e-75 . . . . 17288 1 22 no REF WP_000621175 . "MULTISPECIES: mRNA interferase MazF [Bacteria]" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 23 no REF WP_000621176 . "mRNA interferase MazF [Staphylococcus aureus]" . . . . . 90.15 120 99.16 99.16 6.08e-77 . . . . 17288 1 24 no REF WP_000621177 . "mRNA interferase MazF [Staphylococcus aureus]" . . . . . 90.15 120 99.16 99.16 5.28e-77 . . . . 17288 1 25 no REF WP_000621178 . "MULTISPECIES: mRNA interferase MazF [Staphylococcus]" . . . . . 90.15 120 97.48 99.16 6.01e-76 . . . . 17288 1 26 no SP A6QIR4 . "RecName: Full=Endoribonuclease MazF; AltName: Full=MazFSa; AltName: Full=Toxin MazF; AltName: Full=mRNA interferase MazF" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 27 no SP A7X4P5 . "RecName: Full=Endoribonuclease MazF; AltName: Full=Toxin MazF; AltName: Full=mRNA interferase MazF" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 28 no SP Q2FF56 . "RecName: Full=Endoribonuclease MazF; AltName: Full=Toxin MazF; AltName: Full=mRNA interferase MazF" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 29 no SP Q2FWI8 . "RecName: Full=Endoribonuclease MazF; AltName: Full=Toxin MazF; AltName: Full=mRNA interferase MazF" . . . . . 90.15 120 100.00 100.00 1.13e-77 . . . . 17288 1 30 no SP Q2YUI5 . "RecName: Full=Endoribonuclease MazF; AltName: Full=Toxin MazF; AltName: Full=mRNA interferase MazF" . . . . . 87.88 117 100.00 100.00 3.06e-75 . . . . 17288 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'mRNA interferase' 17288 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 . GLY . 17288 1 2 . SER . 17288 1 3 . SER . 17288 1 4 . HIS . 17288 1 5 . HIS . 17288 1 6 . HIS . 17288 1 7 . HIS . 17288 1 8 . HIS . 17288 1 9 . HIS . 17288 1 10 . SER . 17288 1 11 . GLN . 17288 1 12 . ASP . 17288 1 13 . PRO . 17288 1 14 . ILE . 17288 1 15 . ARG . 17288 1 16 . ARG . 17288 1 17 . GLY . 17288 1 18 . ASP . 17288 1 19 . VAL . 17288 1 20 . TYR . 17288 1 21 . LEU . 17288 1 22 . ALA . 17288 1 23 . ASP . 17288 1 24 . LEU . 17288 1 25 . SER . 17288 1 26 . PRO . 17288 1 27 . VAL . 17288 1 28 . GLN . 17288 1 29 . GLY . 17288 1 30 . SER . 17288 1 31 . GLU . 17288 1 32 . GLN . 17288 1 33 . GLY . 17288 1 34 . GLY . 17288 1 35 . VAL . 17288 1 36 . ARG . 17288 1 37 . PRO . 17288 1 38 . VAL . 17288 1 39 . VAL . 17288 1 40 . ILE . 17288 1 41 . ILE . 17288 1 42 . GLN . 17288 1 43 . ASN . 17288 1 44 . ASP . 17288 1 45 . THR . 17288 1 46 . GLY . 17288 1 47 . ASN . 17288 1 48 . LYS . 17288 1 49 . TYR . 17288 1 50 . SER . 17288 1 51 . PRO . 17288 1 52 . THR . 17288 1 53 . VAL . 17288 1 54 . ILE . 17288 1 55 . VAL . 17288 1 56 . ALA . 17288 1 57 . ALA . 17288 1 58 . ILE . 17288 1 59 . THR . 17288 1 60 . GLY . 17288 1 61 . ARG . 17288 1 62 . ILE . 17288 1 63 . ASN . 17288 1 64 . LYS . 17288 1 65 . ALA . 17288 1 66 . LYS . 17288 1 67 . ILE . 17288 1 68 . PRO . 17288 1 69 . THR . 17288 1 70 . HIS . 17288 1 71 . VAL . 17288 1 72 . GLU . 17288 1 73 . ILE . 17288 1 74 . GLU . 17288 1 75 . LYS . 17288 1 76 . LYS . 17288 1 77 . LYS . 17288 1 78 . TYR . 17288 1 79 . LYS . 17288 1 80 . LEU . 17288 1 81 . ASP . 17288 1 82 . LYS . 17288 1 83 . ASP . 17288 1 84 . SER . 17288 1 85 . VAL . 17288 1 86 . ILE . 17288 1 87 . LEU . 17288 1 88 . LEU . 17288 1 89 . GLU . 17288 1 90 . GLN . 17288 1 91 . ILE . 17288 1 92 . ARG . 17288 1 93 . THR . 17288 1 94 . LEU . 17288 1 95 . ASP . 17288 1 96 . LYS . 17288 1 97 . LYS . 17288 1 98 . ARG . 17288 1 99 . LEU . 17288 1 100 . LYS . 17288 1 101 . GLU . 17288 1 102 . LYS . 17288 1 103 . LEU . 17288 1 104 . THR . 17288 1 105 . TYR . 17288 1 106 . LEU . 17288 1 107 . SER . 17288 1 108 . ASP . 17288 1 109 . ASP . 17288 1 110 . LYS . 17288 1 111 . MET . 17288 1 112 . LYS . 17288 1 113 . GLU . 17288 1 114 . VAL . 17288 1 115 . ASP . 17288 1 116 . ASN . 17288 1 117 . ALA . 17288 1 118 . LEU . 17288 1 119 . MET . 17288 1 120 . ILE . 17288 1 121 . SER . 17288 1 122 . LEU . 17288 1 123 . GLY . 17288 1 124 . LEU . 17288 1 125 . ASN . 17288 1 126 . ALA . 17288 1 127 . VAL . 17288 1 128 . ALA . 17288 1 129 . HIS . 17288 1 130 . GLN . 17288 1 131 . LYS . 17288 1 132 . ASN . 17288 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17288 1 . SER 2 2 17288 1 . SER 3 3 17288 1 . HIS 4 4 17288 1 . HIS 5 5 17288 1 . HIS 6 6 17288 1 . HIS 7 7 17288 1 . HIS 8 8 17288 1 . HIS 9 9 17288 1 . SER 10 10 17288 1 . GLN 11 11 17288 1 . ASP 12 12 17288 1 . PRO 13 13 17288 1 . ILE 14 14 17288 1 . ARG 15 15 17288 1 . ARG 16 16 17288 1 . GLY 17 17 17288 1 . ASP 18 18 17288 1 . VAL 19 19 17288 1 . TYR 20 20 17288 1 . LEU 21 21 17288 1 . ALA 22 22 17288 1 . ASP 23 23 17288 1 . LEU 24 24 17288 1 . SER 25 25 17288 1 . PRO 26 26 17288 1 . VAL 27 27 17288 1 . GLN 28 28 17288 1 . GLY 29 29 17288 1 . SER 30 30 17288 1 . GLU 31 31 17288 1 . GLN 32 32 17288 1 . GLY 33 33 17288 1 . GLY 34 34 17288 1 . VAL 35 35 17288 1 . ARG 36 36 17288 1 . PRO 37 37 17288 1 . VAL 38 38 17288 1 . VAL 39 39 17288 1 . ILE 40 40 17288 1 . ILE 41 41 17288 1 . GLN 42 42 17288 1 . ASN 43 43 17288 1 . ASP 44 44 17288 1 . THR 45 45 17288 1 . GLY 46 46 17288 1 . ASN 47 47 17288 1 . LYS 48 48 17288 1 . TYR 49 49 17288 1 . SER 50 50 17288 1 . PRO 51 51 17288 1 . THR 52 52 17288 1 . VAL 53 53 17288 1 . ILE 54 54 17288 1 . VAL 55 55 17288 1 . ALA 56 56 17288 1 . ALA 57 57 17288 1 . ILE 58 58 17288 1 . THR 59 59 17288 1 . GLY 60 60 17288 1 . ARG 61 61 17288 1 . ILE 62 62 17288 1 . ASN 63 63 17288 1 . LYS 64 64 17288 1 . ALA 65 65 17288 1 . LYS 66 66 17288 1 . ILE 67 67 17288 1 . PRO 68 68 17288 1 . THR 69 69 17288 1 . HIS 70 70 17288 1 . VAL 71 71 17288 1 . GLU 72 72 17288 1 . ILE 73 73 17288 1 . GLU 74 74 17288 1 . LYS 75 75 17288 1 . LYS 76 76 17288 1 . LYS 77 77 17288 1 . TYR 78 78 17288 1 . LYS 79 79 17288 1 . LEU 80 80 17288 1 . ASP 81 81 17288 1 . LYS 82 82 17288 1 . ASP 83 83 17288 1 . SER 84 84 17288 1 . VAL 85 85 17288 1 . ILE 86 86 17288 1 . LEU 87 87 17288 1 . LEU 88 88 17288 1 . GLU 89 89 17288 1 . GLN 90 90 17288 1 . ILE 91 91 17288 1 . ARG 92 92 17288 1 . THR 93 93 17288 1 . LEU 94 94 17288 1 . ASP 95 95 17288 1 . LYS 96 96 17288 1 . LYS 97 97 17288 1 . ARG 98 98 17288 1 . LEU 99 99 17288 1 . LYS 100 100 17288 1 . GLU 101 101 17288 1 . LYS 102 102 17288 1 . LEU 103 103 17288 1 . THR 104 104 17288 1 . TYR 105 105 17288 1 . LEU 106 106 17288 1 . SER 107 107 17288 1 . ASP 108 108 17288 1 . ASP 109 109 17288 1 . LYS 110 110 17288 1 . MET 111 111 17288 1 . LYS 112 112 17288 1 . GLU 113 113 17288 1 . VAL 114 114 17288 1 . ASP 115 115 17288 1 . ASN 116 116 17288 1 . ALA 117 117 17288 1 . LEU 118 118 17288 1 . MET 119 119 17288 1 . ILE 120 120 17288 1 . SER 121 121 17288 1 . LEU 122 122 17288 1 . GLY 123 123 17288 1 . LEU 124 124 17288 1 . ASN 125 125 17288 1 . ALA 126 126 17288 1 . VAL 127 127 17288 1 . ALA 128 128 17288 1 . HIS 129 129 17288 1 . GLN 130 130 17288 1 . LYS 131 131 17288 1 . ASN 132 132 17288 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17288 _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 $SaMazF . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 17288 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 17288 _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 $SaMazF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pDuet1 . . . . . . 17288 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17288 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SaMazF '[U-99% 13C; U-99% 15N]' . . 1 $SaMazF . . 1 . . mM . . . . 17288 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17288 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17288 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 17288 _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 pH 6.6 . pH 17288 1 pressure 1 . atm 17288 1 temperature 308 . K 17288 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17288 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17288 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17288 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17288 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17288 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17288 2 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 17288 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _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 17288 _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 'Uniform NMR System' . 800 . . . 17288 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 17288 _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 . . . . . . . . . . . . . . . . 17288 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17288 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17288 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17288 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17288 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17288 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17288 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17288 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17288 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17288 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 17288 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17288 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17288 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17288 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 17288 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17288 1 2 '2D 1H-13C HSQC' . . . 17288 1 3 '3D CBCA(CO)NH' . . . 17288 1 4 '3D C(CO)NH' . . . 17288 1 5 '3D HNCO' . . . 17288 1 6 '3D HNCACB' . . . 17288 1 7 '3D HBHA(CO)NH' . . . 17288 1 8 '3D HCCH-TOCSY' . . . 17288 1 9 '3D 1H-15N NOESY' . . . 17288 1 10 '3D 1H-13C NOESY' . . . 17288 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 10 10 SER HA H 1 4.357 0.009 . 1 . . . . 10 Ser HA . 17288 1 2 . 1 1 10 10 SER HB2 H 1 3.828 0.005 . 1 . . . . 10 Ser HB2 . 17288 1 3 . 1 1 10 10 SER HB3 H 1 3.828 0.005 . 1 . . . . 10 Ser HB3 . 17288 1 4 . 1 1 10 10 SER C C 13 174.376 0.005 . 1 . . . . 10 Ser C . 17288 1 5 . 1 1 10 10 SER CA C 13 58.738 0.005 . 1 . . . . 10 Ser CA . 17288 1 6 . 1 1 10 10 SER CB C 13 63.729 0.005 . 1 . . . . 10 Ser CB . 17288 1 7 . 1 1 11 11 GLN H H 1 8.381 0.006 . 1 . . . . 11 Gln H . 17288 1 8 . 1 1 11 11 GLN HA H 1 4.353 0.008 . 1 . . . . 11 Gln HA . 17288 1 9 . 1 1 11 11 GLN HB2 H 1 1.920 0.004 . 2 . . . . 11 Gln HB2 . 17288 1 10 . 1 1 11 11 GLN HB3 H 1 2.092 0.008 . 2 . . . . 11 Gln HB3 . 17288 1 11 . 1 1 11 11 GLN HG2 H 1 2.310 0.005 . 2 . . . . 11 Gln HG2 . 17288 1 12 . 1 1 11 11 GLN HG3 H 1 2.309 0.005 . 2 . . . . 11 Gln HG3 . 17288 1 13 . 1 1 11 11 GLN HE21 H 1 7.492 0.004 . 1 . . . . 11 Gln HE21 . 17288 1 14 . 1 1 11 11 GLN HE22 H 1 6.688 0.003 . 1 . . . . 11 Gln HE22 . 17288 1 15 . 1 1 11 11 GLN C C 13 175.411 0.005 . 1 . . . . 11 Gln C . 17288 1 16 . 1 1 11 11 GLN CA C 13 55.268 0.005 . 1 . . . . 11 Gln CA . 17288 1 17 . 1 1 11 11 GLN CB C 13 29.634 0.005 . 1 . . . . 11 Gln CB . 17288 1 18 . 1 1 11 11 GLN CG C 13 33.951 0.005 . 1 . . . . 11 Gln CG . 17288 1 19 . 1 1 11 11 GLN N N 15 121.575 0.008 . 1 . . . . 11 Gln N . 17288 1 20 . 1 1 11 11 GLN NE2 N 15 111.377 0.008 . 1 . . . . 11 Gln NE2 . 17288 1 21 . 1 1 12 12 ASP H H 1 8.274 0.002 . 1 . . . . 12 Asp H . 17288 1 22 . 1 1 12 12 ASP HA H 1 4.820 0.002 . 1 . . . . 12 Asp HA . 17288 1 23 . 1 1 12 12 ASP HB2 H 1 2.646 0.008 . 2 . . . . 12 Asp HB2 . 17288 1 24 . 1 1 12 12 ASP HB3 H 1 2.499 0.001 . 2 . . . . 12 Asp HB3 . 17288 1 25 . 1 1 12 12 ASP C C 13 174.275 0.005 . 1 . . . . 12 Asp C . 17288 1 26 . 1 1 12 12 ASP CA C 13 53.064 0.005 . 1 . . . . 12 Asp CA . 17288 1 27 . 1 1 12 12 ASP CB C 13 40.485 0.005 . 1 . . . . 12 Asp CB . 17288 1 28 . 1 1 12 12 ASP N N 15 123.577 0.006 . 1 . . . . 12 Asp N . 17288 1 29 . 1 1 13 13 PRO HA H 1 4.352 0.005 . 1 . . . . 13 Pro HA . 17288 1 30 . 1 1 13 13 PRO HB2 H 1 2.161 0.003 . 2 . . . . 13 Pro HB2 . 17288 1 31 . 1 1 13 13 PRO HB3 H 1 1.754 0.004 . 2 . . . . 13 Pro HB3 . 17288 1 32 . 1 1 13 13 PRO HG2 H 1 1.908 0.002 . 2 . . . . 13 Pro HG2 . 17288 1 33 . 1 1 13 13 PRO HG3 H 1 1.955 0.008 . 2 . . . . 13 Pro HG3 . 17288 1 34 . 1 1 13 13 PRO HD2 H 1 3.787 0.003 . 2 . . . . 13 Pro HD2 . 17288 1 35 . 1 1 13 13 PRO HD3 H 1 3.633 0.006 . 2 . . . . 13 Pro HD3 . 17288 1 36 . 1 1 13 13 PRO C C 13 175.946 0.005 . 1 . . . . 13 Pro C . 17288 1 37 . 1 1 13 13 PRO CA C 13 62.925 0.005 . 1 . . . . 13 Pro CA . 17288 1 38 . 1 1 13 13 PRO CB C 13 32.095 0.005 . 1 . . . . 13 Pro CB . 17288 1 39 . 1 1 13 13 PRO CG C 13 27.173 0.005 . 1 . . . . 13 Pro CG . 17288 1 40 . 1 1 13 13 PRO CD C 13 50.614 0.011 . 1 . . . . 13 Pro CD . 17288 1 41 . 1 1 14 14 ILE H H 1 8.107 0.002 . 1 . . . . 14 Ile H . 17288 1 42 . 1 1 14 14 ILE HA H 1 4.053 0.003 . 1 . . . . 14 Ile HA . 17288 1 43 . 1 1 14 14 ILE HB H 1 1.405 0.008 . 1 . . . . 14 Ile HB . 17288 1 44 . 1 1 14 14 ILE HG12 H 1 0.939 0.009 . 2 . . . . 14 Ile HG12 . 17288 1 45 . 1 1 14 14 ILE HG13 H 1 1.584 0.003 . 2 . . . . 14 Ile HG13 . 17288 1 46 . 1 1 14 14 ILE HG21 H 1 0.721 0.008 . 1 . . . . 14 Ile HG21 . 17288 1 47 . 1 1 14 14 ILE HG22 H 1 0.721 0.008 . 1 . . . . 14 Ile HG22 . 17288 1 48 . 1 1 14 14 ILE HG23 H 1 0.721 0.008 . 1 . . . . 14 Ile HG23 . 17288 1 49 . 1 1 14 14 ILE HD11 H 1 0.609 0.006 . 1 . . . . 14 Ile HD11 . 17288 1 50 . 1 1 14 14 ILE HD12 H 1 0.609 0.006 . 1 . . . . 14 Ile HD12 . 17288 1 51 . 1 1 14 14 ILE HD13 H 1 0.609 0.006 . 1 . . . . 14 Ile HD13 . 17288 1 52 . 1 1 14 14 ILE C C 13 174.571 0.005 . 1 . . . . 14 Ile C . 17288 1 53 . 1 1 14 14 ILE CA C 13 61.831 0.005 . 1 . . . . 14 Ile CA . 17288 1 54 . 1 1 14 14 ILE CB C 13 39.136 0.005 . 1 . . . . 14 Ile CB . 17288 1 55 . 1 1 14 14 ILE CG1 C 13 27.420 0.005 . 1 . . . . 14 Ile CG1 . 17288 1 56 . 1 1 14 14 ILE CG2 C 13 18.419 0.009 . 1 . . . . 14 Ile CG2 . 17288 1 57 . 1 1 14 14 ILE CD1 C 13 14.438 0.005 . 1 . . . . 14 Ile CD1 . 17288 1 58 . 1 1 14 14 ILE N N 15 123.717 0.006 . 1 . . . . 14 Ile N . 17288 1 59 . 1 1 15 15 ARG H H 1 8.885 0.004 . 1 . . . . 15 Arg H . 17288 1 60 . 1 1 15 15 ARG HA H 1 4.912 0.003 . 1 . . . . 15 Arg HA . 17288 1 61 . 1 1 15 15 ARG HB2 H 1 1.833 0.001 . 2 . . . . 15 Arg HB2 . 17288 1 62 . 1 1 15 15 ARG HB3 H 1 1.770 0.011 . 2 . . . . 15 Arg HB3 . 17288 1 63 . 1 1 15 15 ARG HG2 H 1 1.474 0.002 . 2 . . . . 15 Arg HG2 . 17288 1 64 . 1 1 15 15 ARG HG3 H 1 1.560 0.001 . 2 . . . . 15 Arg HG3 . 17288 1 65 . 1 1 15 15 ARG HD2 H 1 3.074 0.004 . 2 . . . . 15 Arg HD2 . 17288 1 66 . 1 1 15 15 ARG HD3 H 1 3.074 0.004 . 2 . . . . 15 Arg HD3 . 17288 1 67 . 1 1 15 15 ARG C C 13 175.597 0.005 . 1 . . . . 15 Arg C . 17288 1 68 . 1 1 15 15 ARG CA C 13 53.179 0.005 . 1 . . . . 15 Arg CA . 17288 1 69 . 1 1 15 15 ARG CB C 13 33.189 0.005 . 1 . . . . 15 Arg CB . 17288 1 70 . 1 1 15 15 ARG CG C 13 27.173 0.005 . 1 . . . . 15 Arg CG . 17288 1 71 . 1 1 15 15 ARG CD C 13 42.968 0.005 . 1 . . . . 15 Arg CD . 17288 1 72 . 1 1 15 15 ARG N N 15 128.020 0.002 . 1 . . . . 15 Arg N . 17288 1 73 . 1 1 16 16 ARG H H 1 10.349 0.004 . 1 . . . . 16 Arg H . 17288 1 74 . 1 1 16 16 ARG HA H 1 3.679 0.003 . 1 . . . . 16 Arg HA . 17288 1 75 . 1 1 16 16 ARG HB2 H 1 1.718 0.003 . 1 . . . . 16 Arg HB2 . 17288 1 76 . 1 1 16 16 ARG HB3 H 1 1.718 0.003 . 1 . . . . 16 Arg HB3 . 17288 1 77 . 1 1 16 16 ARG HG2 H 1 1.944 0.005 . 1 . . . . 16 Arg HG2 . 17288 1 78 . 1 1 16 16 ARG HG3 H 1 1.944 0.005 . 1 . . . . 16 Arg HG3 . 17288 1 79 . 1 1 16 16 ARG C C 13 178.286 0.005 . 1 . . . . 16 Arg C . 17288 1 80 . 1 1 16 16 ARG CA C 13 58.823 0.005 . 1 . . . . 16 Arg CA . 17288 1 81 . 1 1 16 16 ARG CB C 13 29.345 0.005 . 1 . . . . 16 Arg CB . 17288 1 82 . 1 1 16 16 ARG CG C 13 30.324 0.005 . 1 . . . . 16 Arg CG . 17288 1 83 . 1 1 16 16 ARG N N 15 125.894 0.005 . 1 . . . . 16 Arg N . 17288 1 84 . 1 1 17 17 GLY H H 1 9.212 0.004 . 1 . . . . 17 Gly H . 17288 1 85 . 1 1 17 17 GLY HA2 H 1 3.782 0.005 . 2 . . . . 17 Gly HA2 . 17288 1 86 . 1 1 17 17 GLY HA3 H 1 4.793 0.002 . 2 . . . . 17 Gly HA3 . 17288 1 87 . 1 1 17 17 GLY C C 13 173.985 0.005 . 1 . . . . 17 Gly C . 17288 1 88 . 1 1 17 17 GLY CA C 13 45.816 0.005 . 1 . . . . 17 Gly CA . 17288 1 89 . 1 1 17 17 GLY N N 15 117.109 0.006 . 1 . . . . 17 Gly N . 17288 1 90 . 1 1 18 18 ASP H H 1 8.500 0.003 . 1 . . . . 18 Asp H . 17288 1 91 . 1 1 18 18 ASP HA H 1 4.886 0.001 . 1 . . . . 18 Asp HA . 17288 1 92 . 1 1 18 18 ASP HB2 H 1 3.284 0.006 . 2 . . . . 18 Asp HB2 . 17288 1 93 . 1 1 18 18 ASP HB3 H 1 2.653 0.012 . 2 . . . . 18 Asp HB3 . 17288 1 94 . 1 1 18 18 ASP C C 13 175.684 0.005 . 1 . . . . 18 Asp C . 17288 1 95 . 1 1 18 18 ASP CA C 13 55.919 0.005 . 1 . . . . 18 Asp CA . 17288 1 96 . 1 1 18 18 ASP CB C 13 43.241 0.005 . 1 . . . . 18 Asp CB . 17288 1 97 . 1 1 18 18 ASP N N 15 121.385 0.018 . 1 . . . . 18 Asp N . 17288 1 98 . 1 1 19 19 VAL H H 1 8.644 0.003 . 1 . . . . 19 Val H . 17288 1 99 . 1 1 19 19 VAL HA H 1 5.370 0.009 . 1 . . . . 19 Val HA . 17288 1 100 . 1 1 19 19 VAL HB H 1 1.674 0.008 . 1 . . . . 19 Val HB . 17288 1 101 . 1 1 19 19 VAL HG11 H 1 0.674 0.009 . 2 . . . . 19 Val HG11 . 17288 1 102 . 1 1 19 19 VAL HG12 H 1 0.674 0.009 . 2 . . . . 19 Val HG12 . 17288 1 103 . 1 1 19 19 VAL HG13 H 1 0.674 0.009 . 2 . . . . 19 Val HG13 . 17288 1 104 . 1 1 19 19 VAL HG21 H 1 0.657 0.006 . 2 . . . . 19 Val HG21 . 17288 1 105 . 1 1 19 19 VAL HG22 H 1 0.657 0.006 . 2 . . . . 19 Val HG22 . 17288 1 106 . 1 1 19 19 VAL HG23 H 1 0.657 0.006 . 2 . . . . 19 Val HG23 . 17288 1 107 . 1 1 19 19 VAL C C 13 175.615 0.005 . 1 . . . . 19 Val C . 17288 1 108 . 1 1 19 19 VAL CA C 13 60.190 0.005 . 1 . . . . 19 Val CA . 17288 1 109 . 1 1 19 19 VAL CB C 13 32.934 0.005 . 1 . . . . 19 Val CB . 17288 1 110 . 1 1 19 19 VAL CG1 C 13 21.430 0.005 . 2 . . . . 19 Val CG1 . 17288 1 111 . 1 1 19 19 VAL CG2 C 13 20.610 0.005 . 2 . . . . 19 Val CG2 . 17288 1 112 . 1 1 19 19 VAL N N 15 119.811 0.006 . 1 . . . . 19 Val N . 17288 1 113 . 1 1 20 20 TYR H H 1 8.842 0.010 . 1 . . . . 20 Tyr H . 17288 1 114 . 1 1 20 20 TYR HA H 1 5.208 0.010 . 1 . . . . 20 Tyr HA . 17288 1 115 . 1 1 20 20 TYR HB2 H 1 2.900 0.006 . 2 . . . . 20 Tyr HB2 . 17288 1 116 . 1 1 20 20 TYR HB3 H 1 2.330 0.004 . 2 . . . . 20 Tyr HB3 . 17288 1 117 . 1 1 20 20 TYR HD1 H 1 6.864 0.008 . 3 . . . . 20 Tyr HD1 . 17288 1 118 . 1 1 20 20 TYR HD2 H 1 6.864 0.008 . 3 . . . . 20 Tyr HD2 . 17288 1 119 . 1 1 20 20 TYR HE1 H 1 6.953 0.016 . 3 . . . . 20 Tyr HE1 . 17288 1 120 . 1 1 20 20 TYR HE2 H 1 6.953 0.016 . 3 . . . . 20 Tyr HE2 . 17288 1 121 . 1 1 20 20 TYR C C 13 175.874 0.005 . 1 . . . . 20 Tyr C . 17288 1 122 . 1 1 20 20 TYR CA C 13 56.072 0.005 . 1 . . . . 20 Tyr CA . 17288 1 123 . 1 1 20 20 TYR CB C 13 44.335 0.005 . 1 . . . . 20 Tyr CB . 17288 1 124 . 1 1 20 20 TYR CD1 C 13 132.735 0.005 . 3 . . . . 20 Tyr CD1 . 17288 1 125 . 1 1 20 20 TYR CD2 C 13 132.735 0.005 . 3 . . . . 20 Tyr CD2 . 17288 1 126 . 1 1 20 20 TYR CE1 C 13 118.948 0.005 . 3 . . . . 20 Tyr CE1 . 17288 1 127 . 1 1 20 20 TYR CE2 C 13 118.948 0.005 . 3 . . . . 20 Tyr CE2 . 17288 1 128 . 1 1 20 20 TYR N N 15 126.427 0.009 . 1 . . . . 20 Tyr N . 17288 1 129 . 1 1 21 21 LEU H H 1 8.653 0.003 . 1 . . . . 21 Leu H . 17288 1 130 . 1 1 21 21 LEU HA H 1 4.544 0.007 . 1 . . . . 21 Leu HA . 17288 1 131 . 1 1 21 21 LEU HB2 H 1 1.442 0.004 . 2 . . . . 21 Leu HB2 . 17288 1 132 . 1 1 21 21 LEU HB3 H 1 1.576 0.004 . 2 . . . . 21 Leu HB3 . 17288 1 133 . 1 1 21 21 LEU HD11 H 1 0.759 0.005 . 2 . . . . 21 Leu HD11 . 17288 1 134 . 1 1 21 21 LEU HD12 H 1 0.759 0.005 . 2 . . . . 21 Leu HD12 . 17288 1 135 . 1 1 21 21 LEU HD13 H 1 0.759 0.005 . 2 . . . . 21 Leu HD13 . 17288 1 136 . 1 1 21 21 LEU HD21 H 1 0.806 0.001 . 2 . . . . 21 Leu HD21 . 17288 1 137 . 1 1 21 21 LEU HD22 H 1 0.806 0.001 . 2 . . . . 21 Leu HD22 . 17288 1 138 . 1 1 21 21 LEU HD23 H 1 0.806 0.001 . 2 . . . . 21 Leu HD23 . 17288 1 139 . 1 1 21 21 LEU C C 13 176.076 0.005 . 1 . . . . 21 Leu C . 17288 1 140 . 1 1 21 21 LEU CA C 13 54.965 0.005 . 1 . . . . 21 Leu CA . 17288 1 141 . 1 1 21 21 LEU CB C 13 43.788 0.005 . 1 . . . . 21 Leu CB . 17288 1 142 . 1 1 21 21 LEU CG C 13 24.154 0.005 . 1 . . . . 21 Leu CG . 17288 1 143 . 1 1 21 21 LEU CD1 C 13 24.165 0.005 . 1 . . . . 21 Leu CD1 . 17288 1 144 . 1 1 21 21 LEU CD2 C 13 24.165 0.005 . 1 . . . . 21 Leu CD2 . 17288 1 145 . 1 1 21 21 LEU N N 15 120.151 0.006 . 1 . . . . 21 Leu N . 17288 1 146 . 1 1 22 22 ALA H H 1 8.761 0.007 . 1 . . . . 22 Ala H . 17288 1 147 . 1 1 22 22 ALA HA H 1 5.021 0.003 . 1 . . . . 22 Ala HA . 17288 1 148 . 1 1 22 22 ALA HB1 H 1 1.059 0.004 . 1 . . . . 22 Ala HB1 . 17288 1 149 . 1 1 22 22 ALA HB2 H 1 1.059 0.004 . 1 . . . . 22 Ala HB2 . 17288 1 150 . 1 1 22 22 ALA HB3 H 1 1.059 0.004 . 1 . . . . 22 Ala HB3 . 17288 1 151 . 1 1 22 22 ALA C C 13 174.040 0.005 . 1 . . . . 22 Ala C . 17288 1 152 . 1 1 22 22 ALA CA C 13 51.150 0.005 . 1 . . . . 22 Ala CA . 17288 1 153 . 1 1 22 22 ALA CB C 13 24.171 0.011 . 1 . . . . 22 Ala CB . 17288 1 154 . 1 1 22 22 ALA N N 15 125.630 0.005 . 1 . . . . 22 Ala N . 17288 1 155 . 1 1 23 23 ASP H H 1 7.980 0.006 . 1 . . . . 23 Asp H . 17288 1 156 . 1 1 23 23 ASP HA H 1 4.860 0.005 . 1 . . . . 23 Asp HA . 17288 1 157 . 1 1 23 23 ASP HB2 H 1 2.365 0.004 . 2 . . . . 23 Asp HB2 . 17288 1 158 . 1 1 23 23 ASP HB3 H 1 3.018 0.006 . 2 . . . . 23 Asp HB3 . 17288 1 159 . 1 1 23 23 ASP C C 13 176.026 0.005 . 1 . . . . 23 Asp C . 17288 1 160 . 1 1 23 23 ASP CA C 13 53.064 0.005 . 1 . . . . 23 Asp CA . 17288 1 161 . 1 1 23 23 ASP CB C 13 41.601 0.005 . 1 . . . . 23 Asp CB . 17288 1 162 . 1 1 23 23 ASP N N 15 117.595 0.007 . 1 . . . . 23 Asp N . 17288 1 163 . 1 1 24 24 LEU H H 1 8.699 0.005 . 1 . . . . 24 Leu H . 17288 1 164 . 1 1 24 24 LEU HA H 1 4.131 0.002 . 1 . . . . 24 Leu HA . 17288 1 165 . 1 1 24 24 LEU HB2 H 1 1.752 0.014 . 2 . . . . 24 Leu HB2 . 17288 1 166 . 1 1 24 24 LEU HB3 H 1 1.762 0.004 . 2 . . . . 24 Leu HB3 . 17288 1 167 . 1 1 24 24 LEU HG H 1 1.437 0.007 . 1 . . . . 24 Leu HG . 17288 1 168 . 1 1 24 24 LEU HD11 H 1 0.663 0.008 . 2 . . . . 24 Leu HD11 . 17288 1 169 . 1 1 24 24 LEU HD12 H 1 0.663 0.008 . 2 . . . . 24 Leu HD12 . 17288 1 170 . 1 1 24 24 LEU HD13 H 1 0.663 0.008 . 2 . . . . 24 Leu HD13 . 17288 1 171 . 1 1 24 24 LEU HD21 H 1 0.740 0.005 . 2 . . . . 24 Leu HD21 . 17288 1 172 . 1 1 24 24 LEU HD22 H 1 0.740 0.005 . 2 . . . . 24 Leu HD22 . 17288 1 173 . 1 1 24 24 LEU HD23 H 1 0.740 0.005 . 2 . . . . 24 Leu HD23 . 17288 1 174 . 1 1 24 24 LEU C C 13 177.566 0.005 . 1 . . . . 24 Leu C . 17288 1 175 . 1 1 24 24 LEU CA C 13 54.995 0.005 . 1 . . . . 24 Leu CA . 17288 1 176 . 1 1 24 24 LEU CB C 13 42.421 0.005 . 1 . . . . 24 Leu CB . 17288 1 177 . 1 1 24 24 LEU CG C 13 25.833 0.005 . 1 . . . . 24 Leu CG . 17288 1 178 . 1 1 24 24 LEU CD1 C 13 24.165 0.005 . 1 . . . . 24 Leu CD1 . 17288 1 179 . 1 1 24 24 LEU N N 15 125.808 0.002 . 1 . . . . 24 Leu N . 17288 1 180 . 1 1 25 25 SER H H 1 8.132 0.002 . 1 . . . . 25 Ser H . 17288 1 181 . 1 1 25 25 SER HA H 1 4.284 0.002 . 1 . . . . 25 Ser HA . 17288 1 182 . 1 1 25 25 SER HB2 H 1 3.918 0.011 . 2 . . . . 25 Ser HB2 . 17288 1 183 . 1 1 25 25 SER HB3 H 1 3.907 0.004 . 2 . . . . 25 Ser HB3 . 17288 1 184 . 1 1 25 25 SER C C 13 172.058 0.005 . 1 . . . . 25 Ser C . 17288 1 185 . 1 1 25 25 SER CA C 13 59.285 0.005 . 1 . . . . 25 Ser CA . 17288 1 186 . 1 1 25 25 SER CB C 13 62.870 0.005 . 1 . . . . 25 Ser CB . 17288 1 187 . 1 1 25 25 SER N N 15 116.919 0.006 . 1 . . . . 25 Ser N . 17288 1 188 . 1 1 26 26 PRO HA H 1 4.806 0.005 . 1 . . . . 26 Pro HA . 17288 1 189 . 1 1 26 26 PRO HB2 H 1 2.107 0.001 . 2 . . . . 26 Pro HB2 . 17288 1 190 . 1 1 26 26 PRO HB3 H 1 2.445 0.005 . 2 . . . . 26 Pro HB3 . 17288 1 191 . 1 1 26 26 PRO HG2 H 1 1.941 0.003 . 2 . . . . 26 Pro HG2 . 17288 1 192 . 1 1 26 26 PRO HG3 H 1 1.775 0.004 . 2 . . . . 26 Pro HG3 . 17288 1 193 . 1 1 26 26 PRO HD2 H 1 3.493 0.009 . 2 . . . . 26 Pro HD2 . 17288 1 194 . 1 1 26 26 PRO HD3 H 1 3.594 0.004 . 2 . . . . 26 Pro HD3 . 17288 1 195 . 1 1 26 26 PRO C C 13 176.208 0.005 . 1 . . . . 26 Pro C . 17288 1 196 . 1 1 26 26 PRO CA C 13 62.280 0.005 . 1 . . . . 26 Pro CA . 17288 1 197 . 1 1 26 26 PRO CB C 13 35.376 0.005 . 1 . . . . 26 Pro CB . 17288 1 198 . 1 1 26 26 PRO CG C 13 24.712 0.005 . 1 . . . . 26 Pro CG . 17288 1 199 . 1 1 26 26 PRO CD C 13 50.625 0.005 . 1 . . . . 26 Pro CD . 17288 1 200 . 1 1 27 27 VAL H H 1 8.507 0.005 . 1 . . . . 27 Val H . 17288 1 201 . 1 1 27 27 VAL HA H 1 4.540 0.004 . 1 . . . . 27 Val HA . 17288 1 202 . 1 1 27 27 VAL HB H 1 2.444 0.004 . 1 . . . . 27 Val HB . 17288 1 203 . 1 1 27 27 VAL HG11 H 1 0.858 0.010 . 2 . . . . 27 Val HG11 . 17288 1 204 . 1 1 27 27 VAL HG12 H 1 0.858 0.010 . 2 . . . . 27 Val HG12 . 17288 1 205 . 1 1 27 27 VAL HG13 H 1 0.858 0.010 . 2 . . . . 27 Val HG13 . 17288 1 206 . 1 1 27 27 VAL HG21 H 1 0.619 0.005 . 2 . . . . 27 Val HG21 . 17288 1 207 . 1 1 27 27 VAL HG22 H 1 0.619 0.005 . 2 . . . . 27 Val HG22 . 17288 1 208 . 1 1 27 27 VAL HG23 H 1 0.619 0.005 . 2 . . . . 27 Val HG23 . 17288 1 209 . 1 1 27 27 VAL C C 13 174.589 0.005 . 1 . . . . 27 Val C . 17288 1 210 . 1 1 27 27 VAL CA C 13 60.190 0.005 . 1 . . . . 27 Val CA . 17288 1 211 . 1 1 27 27 VAL CB C 13 35.658 0.005 . 1 . . . . 27 Val CB . 17288 1 212 . 1 1 27 27 VAL CG1 C 13 23.071 0.005 . 2 . . . . 27 Val CG1 . 17288 1 213 . 1 1 27 27 VAL CG2 C 13 17.298 0.005 . 2 . . . . 27 Val CG2 . 17288 1 214 . 1 1 27 27 VAL N N 15 113.589 0.011 . 1 . . . . 27 Val N . 17288 1 215 . 1 1 28 28 GLN H H 1 8.302 0.001 . 1 . . . . 28 Gln H . 17288 1 216 . 1 1 28 28 GLN HA H 1 4.646 0.008 . 1 . . . . 28 Gln HA . 17288 1 217 . 1 1 28 28 GLN HB2 H 1 1.769 0.004 . 2 . . . . 28 Gln HB2 . 17288 1 218 . 1 1 28 28 GLN HB3 H 1 1.989 0.006 . 2 . . . . 28 Gln HB3 . 17288 1 219 . 1 1 28 28 GLN HG2 H 1 2.199 0.001 . 2 . . . . 28 Gln HG2 . 17288 1 220 . 1 1 28 28 GLN HG3 H 1 2.279 0.008 . 2 . . . . 28 Gln HG3 . 17288 1 221 . 1 1 28 28 GLN HE21 H 1 7.278 0.002 . 1 . . . . 28 Gln HE21 . 17288 1 222 . 1 1 28 28 GLN HE22 H 1 6.713 0.003 . 1 . . . . 28 Gln HE22 . 17288 1 223 . 1 1 28 28 GLN C C 13 175.998 0.005 . 1 . . . . 28 Gln C . 17288 1 224 . 1 1 28 28 GLN CA C 13 54.581 0.005 . 1 . . . . 28 Gln CA . 17288 1 225 . 1 1 28 28 GLN CB C 13 32.663 0.005 . 1 . . . . 28 Gln CB . 17288 1 226 . 1 1 28 28 GLN CG C 13 33.736 0.005 . 1 . . . . 28 Gln CG . 17288 1 227 . 1 1 28 28 GLN N N 15 118.302 0.004 . 1 . . . . 28 Gln N . 17288 1 228 . 1 1 28 28 GLN NE2 N 15 110.118 0.019 . 1 . . . . 28 Gln NE2 . 17288 1 229 . 1 1 29 29 GLY H H 1 8.504 0.001 . 1 . . . . 29 Gly H . 17288 1 230 . 1 1 29 29 GLY HA2 H 1 3.676 0.008 . 2 . . . . 29 Gly HA2 . 17288 1 231 . 1 1 29 29 GLY HA3 H 1 3.834 0.008 . 2 . . . . 29 Gly HA3 . 17288 1 232 . 1 1 29 29 GLY C C 13 175.847 0.005 . 1 . . . . 29 Gly C . 17288 1 233 . 1 1 29 29 GLY CA C 13 47.070 0.005 . 1 . . . . 29 Gly CA . 17288 1 234 . 1 1 29 29 GLY N N 15 107.701 0.003 . 1 . . . . 29 Gly N . 17288 1 235 . 1 1 30 30 SER H H 1 9.573 0.003 . 1 . . . . 30 Ser H . 17288 1 236 . 1 1 30 30 SER HA H 1 4.414 0.001 . 1 . . . . 30 Ser HA . 17288 1 237 . 1 1 30 30 SER HB2 H 1 4.052 0.002 . 2 . . . . 30 Ser HB2 . 17288 1 238 . 1 1 30 30 SER HB3 H 1 3.647 0.016 . 2 . . . . 30 Ser HB3 . 17288 1 239 . 1 1 30 30 SER C C 13 175.095 0.005 . 1 . . . . 30 Ser C . 17288 1 240 . 1 1 30 30 SER CA C 13 59.311 0.005 . 1 . . . . 30 Ser CA . 17288 1 241 . 1 1 30 30 SER CB C 13 63.198 0.005 . 1 . . . . 30 Ser CB . 17288 1 242 . 1 1 30 30 SER N N 15 122.310 0.006 . 1 . . . . 30 Ser N . 17288 1 243 . 1 1 31 31 GLU H H 1 7.799 0.002 . 1 . . . . 31 Glu H . 17288 1 244 . 1 1 31 31 GLU HA H 1 3.964 0.001 . 1 . . . . 31 Glu HA . 17288 1 245 . 1 1 31 31 GLU HB2 H 1 1.952 0.005 . 2 . . . . 31 Glu HB2 . 17288 1 246 . 1 1 31 31 GLU HB3 H 1 1.953 0.001 . 2 . . . . 31 Glu HB3 . 17288 1 247 . 1 1 31 31 GLU HG2 H 1 2.331 0.002 . 1 . . . . 31 Glu HG2 . 17288 1 248 . 1 1 31 31 GLU HG3 H 1 2.331 0.002 . 1 . . . . 31 Glu HG3 . 17288 1 249 . 1 1 31 31 GLU C C 13 175.836 0.005 . 1 . . . . 31 Glu C . 17288 1 250 . 1 1 31 31 GLU CA C 13 56.635 0.005 . 1 . . . . 31 Glu CA . 17288 1 251 . 1 1 31 31 GLU CB C 13 29.844 0.005 . 1 . . . . 31 Glu CB . 17288 1 252 . 1 1 31 31 GLU CG C 13 35.611 0.005 . 1 . . . . 31 Glu CG . 17288 1 253 . 1 1 31 31 GLU N N 15 123.069 0.012 . 1 . . . . 31 Glu N . 17288 1 254 . 1 1 32 32 GLN H H 1 7.738 0.013 . 1 . . . . 32 Gln H . 17288 1 255 . 1 1 32 32 GLN HA H 1 4.006 0.005 . 1 . . . . 32 Gln HA . 17288 1 256 . 1 1 32 32 GLN HB2 H 1 1.793 0.006 . 2 . . . . 32 Gln HB2 . 17288 1 257 . 1 1 32 32 GLN HB3 H 1 1.590 0.004 . 2 . . . . 32 Gln HB3 . 17288 1 258 . 1 1 32 32 GLN HG2 H 1 1.962 0.008 . 2 . . . . 32 Gln HG2 . 17288 1 259 . 1 1 32 32 GLN HG3 H 1 1.958 0.003 . 2 . . . . 32 Gln HG3 . 17288 1 260 . 1 1 32 32 GLN HE21 H 1 6.976 0.004 . 1 . . . . 32 Gln HE21 . 17288 1 261 . 1 1 32 32 GLN HE22 H 1 6.855 0.003 . 1 . . . . 32 Gln HE22 . 17288 1 262 . 1 1 32 32 GLN C C 13 175.460 0.005 . 1 . . . . 32 Gln C . 17288 1 263 . 1 1 32 32 GLN CA C 13 56.362 0.005 . 1 . . . . 32 Gln CA . 17288 1 264 . 1 1 32 32 GLN CB C 13 28.540 0.005 . 1 . . . . 32 Gln CB . 17288 1 265 . 1 1 32 32 GLN CG C 13 33.462 0.005 . 1 . . . . 32 Gln CG . 17288 1 266 . 1 1 32 32 GLN N N 15 120.665 0.005 . 1 . . . . 32 Gln N . 17288 1 267 . 1 1 32 32 GLN NE2 N 15 111.609 0.005 . 1 . . . . 32 Gln NE2 . 17288 1 268 . 1 1 33 33 GLY H H 1 8.465 0.010 . 1 . . . . 33 Gly H . 17288 1 269 . 1 1 33 33 GLY HA2 H 1 4.469 0.005 . 2 . . . . 33 Gly HA2 . 17288 1 270 . 1 1 33 33 GLY HA3 H 1 3.523 0.007 . 2 . . . . 33 Gly HA3 . 17288 1 271 . 1 1 33 33 GLY C C 13 173.944 0.005 . 1 . . . . 33 Gly C . 17288 1 272 . 1 1 33 33 GLY CA C 13 44.598 0.011 . 1 . . . . 33 Gly CA . 17288 1 273 . 1 1 33 33 GLY N N 15 112.239 0.019 . 1 . . . . 33 Gly N . 17288 1 274 . 1 1 34 34 GLY H H 1 7.864 0.008 . 1 . . . . 34 Gly H . 17288 1 275 . 1 1 34 34 GLY HA2 H 1 4.129 0.006 . 2 . . . . 34 Gly HA2 . 17288 1 276 . 1 1 34 34 GLY HA3 H 1 3.810 0.004 . 2 . . . . 34 Gly HA3 . 17288 1 277 . 1 1 34 34 GLY C C 13 171.921 0.005 . 1 . . . . 34 Gly C . 17288 1 278 . 1 1 34 34 GLY CA C 13 44.609 0.005 . 1 . . . . 34 Gly CA . 17288 1 279 . 1 1 34 34 GLY N N 15 107.749 0.005 . 1 . . . . 34 Gly N . 17288 1 280 . 1 1 35 35 VAL H H 1 7.930 0.002 . 1 . . . . 35 Val H . 17288 1 281 . 1 1 35 35 VAL HA H 1 5.021 0.006 . 1 . . . . 35 Val HA . 17288 1 282 . 1 1 35 35 VAL HB H 1 1.947 0.004 . 1 . . . . 35 Val HB . 17288 1 283 . 1 1 35 35 VAL HG11 H 1 0.746 0.004 . 2 . . . . 35 Val HG11 . 17288 1 284 . 1 1 35 35 VAL HG12 H 1 0.746 0.004 . 2 . . . . 35 Val HG12 . 17288 1 285 . 1 1 35 35 VAL HG13 H 1 0.746 0.004 . 2 . . . . 35 Val HG13 . 17288 1 286 . 1 1 35 35 VAL HG21 H 1 0.884 0.004 . 2 . . . . 35 Val HG21 . 17288 1 287 . 1 1 35 35 VAL HG22 H 1 0.884 0.004 . 2 . . . . 35 Val HG22 . 17288 1 288 . 1 1 35 35 VAL HG23 H 1 0.884 0.004 . 2 . . . . 35 Val HG23 . 17288 1 289 . 1 1 35 35 VAL C C 13 176.582 0.005 . 1 . . . . 35 Val C . 17288 1 290 . 1 1 35 35 VAL CA C 13 61.284 0.005 . 1 . . . . 35 Val CA . 17288 1 291 . 1 1 35 35 VAL CB C 13 31.001 0.005 . 1 . . . . 35 Val CB . 17288 1 292 . 1 1 35 35 VAL CG1 C 13 21.430 0.005 . 2 . . . . 35 Val CG1 . 17288 1 293 . 1 1 35 35 VAL CG2 C 13 21.157 0.005 . 2 . . . . 35 Val CG2 . 17288 1 294 . 1 1 35 35 VAL N N 15 118.947 0.007 . 1 . . . . 35 Val N . 17288 1 295 . 1 1 36 36 ARG H H 1 8.910 0.002 . 1 . . . . 36 Arg H . 17288 1 296 . 1 1 36 36 ARG HA H 1 4.880 0.008 . 1 . . . . 36 Arg HA . 17288 1 297 . 1 1 36 36 ARG HB2 H 1 1.509 0.007 . 1 . . . . 36 Arg HB2 . 17288 1 298 . 1 1 36 36 ARG HB3 H 1 1.509 0.007 . 1 . . . . 36 Arg HB3 . 17288 1 299 . 1 1 36 36 ARG HG2 H 1 1.642 0.005 . 2 . . . . 36 Arg HG2 . 17288 1 300 . 1 1 36 36 ARG HG3 H 1 1.354 0.005 . 2 . . . . 36 Arg HG3 . 17288 1 301 . 1 1 36 36 ARG HD2 H 1 3.145 0.005 . 2 . . . . 36 Arg HD2 . 17288 1 302 . 1 1 36 36 ARG HD3 H 1 3.145 0.005 . 2 . . . . 36 Arg HD3 . 17288 1 303 . 1 1 36 36 ARG C C 13 172.235 0.005 . 1 . . . . 36 Arg C . 17288 1 304 . 1 1 36 36 ARG CA C 13 52.906 0.005 . 1 . . . . 36 Arg CA . 17288 1 305 . 1 1 36 36 ARG CB C 13 30.397 0.005 . 1 . . . . 36 Arg CB . 17288 1 306 . 1 1 36 36 ARG CG C 13 30.288 0.005 . 1 . . . . 36 Arg CG . 17288 1 307 . 1 1 36 36 ARG CD C 13 41.802 0.005 . 1 . . . . 36 Arg CD . 17288 1 308 . 1 1 36 36 ARG N N 15 125.626 0.005 . 1 . . . . 36 Arg N . 17288 1 309 . 1 1 37 37 PRO HA H 1 5.134 0.004 . 1 . . . . 37 Pro HA . 17288 1 310 . 1 1 37 37 PRO HB2 H 1 1.604 0.009 . 2 . . . . 37 Pro HB2 . 17288 1 311 . 1 1 37 37 PRO HB3 H 1 1.754 0.013 . 2 . . . . 37 Pro HB3 . 17288 1 312 . 1 1 37 37 PRO HG2 H 1 1.880 0.005 . 2 . . . . 37 Pro HG2 . 17288 1 313 . 1 1 37 37 PRO HG3 H 1 1.940 0.005 . 2 . . . . 37 Pro HG3 . 17288 1 314 . 1 1 37 37 PRO HD3 H 1 3.634 0.005 . 1 . . . . 37 Pro HD3 . 17288 1 315 . 1 1 37 37 PRO C C 13 174.848 0.005 . 1 . . . . 37 Pro C . 17288 1 316 . 1 1 37 37 PRO CA C 13 61.549 0.008 . 1 . . . . 37 Pro CA . 17288 1 317 . 1 1 37 37 PRO CB C 13 31.001 0.005 . 1 . . . . 37 Pro CB . 17288 1 318 . 1 1 37 37 PRO CG C 13 27.663 0.005 . 1 . . . . 37 Pro CG . 17288 1 319 . 1 1 37 37 PRO CD C 13 50.625 0.005 . 1 . . . . 37 Pro CD . 17288 1 320 . 1 1 38 38 VAL H H 1 9.222 0.010 . 1 . . . . 38 Val H . 17288 1 321 . 1 1 38 38 VAL HA H 1 5.105 0.006 . 1 . . . . 38 Val HA . 17288 1 322 . 1 1 38 38 VAL HB H 1 1.918 0.004 . 1 . . . . 38 Val HB . 17288 1 323 . 1 1 38 38 VAL HG11 H 1 0.911 0.010 . 2 . . . . 38 Val HG11 . 17288 1 324 . 1 1 38 38 VAL HG12 H 1 0.911 0.010 . 2 . . . . 38 Val HG12 . 17288 1 325 . 1 1 38 38 VAL HG13 H 1 0.911 0.010 . 2 . . . . 38 Val HG13 . 17288 1 326 . 1 1 38 38 VAL HG21 H 1 0.682 0.006 . 2 . . . . 38 Val HG21 . 17288 1 327 . 1 1 38 38 VAL HG22 H 1 0.682 0.006 . 2 . . . . 38 Val HG22 . 17288 1 328 . 1 1 38 38 VAL HG23 H 1 0.682 0.006 . 2 . . . . 38 Val HG23 . 17288 1 329 . 1 1 38 38 VAL C C 13 173.860 0.005 . 1 . . . . 38 Val C . 17288 1 330 . 1 1 38 38 VAL CA C 13 58.276 0.005 . 1 . . . . 38 Val CA . 17288 1 331 . 1 1 38 38 VAL CB C 13 35.855 0.005 . 1 . . . . 38 Val CB . 17288 1 332 . 1 1 38 38 VAL CG1 C 13 23.076 0.015 . 2 . . . . 38 Val CG1 . 17288 1 333 . 1 1 38 38 VAL CG2 C 13 18.972 0.009 . 2 . . . . 38 Val CG2 . 17288 1 334 . 1 1 38 38 VAL N N 15 113.561 0.008 . 1 . . . . 38 Val N . 17288 1 335 . 1 1 39 39 VAL H H 1 8.866 0.006 . 1 . . . . 39 Val H . 17288 1 336 . 1 1 39 39 VAL HA H 1 5.360 0.008 . 1 . . . . 39 Val HA . 17288 1 337 . 1 1 39 39 VAL HB H 1 1.766 0.002 . 1 . . . . 39 Val HB . 17288 1 338 . 1 1 39 39 VAL HG11 H 1 0.882 0.006 . 2 . . . . 39 Val HG11 . 17288 1 339 . 1 1 39 39 VAL HG12 H 1 0.882 0.006 . 2 . . . . 39 Val HG12 . 17288 1 340 . 1 1 39 39 VAL HG13 H 1 0.882 0.006 . 2 . . . . 39 Val HG13 . 17288 1 341 . 1 1 39 39 VAL HG21 H 1 0.878 0.008 . 2 . . . . 39 Val HG21 . 17288 1 342 . 1 1 39 39 VAL HG22 H 1 0.878 0.008 . 2 . . . . 39 Val HG22 . 17288 1 343 . 1 1 39 39 VAL HG23 H 1 0.878 0.008 . 2 . . . . 39 Val HG23 . 17288 1 344 . 1 1 39 39 VAL C C 13 175.581 0.005 . 1 . . . . 39 Val C . 17288 1 345 . 1 1 39 39 VAL CA C 13 58.276 0.005 . 1 . . . . 39 Val CA . 17288 1 346 . 1 1 39 39 VAL CB C 13 34.830 0.005 . 1 . . . . 39 Val CB . 17288 1 347 . 1 1 39 39 VAL CG1 C 13 20.612 0.007 . 2 . . . . 39 Val CG1 . 17288 1 348 . 1 1 39 39 VAL CG2 C 13 22.257 0.012 . 2 . . . . 39 Val CG2 . 17288 1 349 . 1 1 39 39 VAL N N 15 118.740 0.005 . 1 . . . . 39 Val N . 17288 1 350 . 1 1 40 40 ILE H H 1 9.202 0.002 . 1 . . . . 40 Ile H . 17288 1 351 . 1 1 40 40 ILE HA H 1 4.189 0.005 . 1 . . . . 40 Ile HA . 17288 1 352 . 1 1 40 40 ILE HB H 1 2.675 0.007 . 1 . . . . 40 Ile HB . 17288 1 353 . 1 1 40 40 ILE HG12 H 1 1.471 0.003 . 2 . . . . 40 Ile HG12 . 17288 1 354 . 1 1 40 40 ILE HG13 H 1 2.014 0.006 . 2 . . . . 40 Ile HG13 . 17288 1 355 . 1 1 40 40 ILE HG21 H 1 0.945 0.007 . 1 . . . . 40 Ile HG21 . 17288 1 356 . 1 1 40 40 ILE HG22 H 1 0.945 0.007 . 1 . . . . 40 Ile HG22 . 17288 1 357 . 1 1 40 40 ILE HG23 H 1 0.945 0.007 . 1 . . . . 40 Ile HG23 . 17288 1 358 . 1 1 40 40 ILE HD11 H 1 0.593 0.002 . 1 . . . . 40 Ile HD11 . 17288 1 359 . 1 1 40 40 ILE HD12 H 1 0.593 0.002 . 1 . . . . 40 Ile HD12 . 17288 1 360 . 1 1 40 40 ILE HD13 H 1 0.593 0.002 . 1 . . . . 40 Ile HD13 . 17288 1 361 . 1 1 40 40 ILE C C 13 176.723 0.005 . 1 . . . . 40 Ile C . 17288 1 362 . 1 1 40 40 ILE CA C 13 60.464 0.005 . 1 . . . . 40 Ile CA . 17288 1 363 . 1 1 40 40 ILE CB C 13 35.385 0.005 . 1 . . . . 40 Ile CB . 17288 1 364 . 1 1 40 40 ILE CG1 C 13 26.882 0.012 . 1 . . . . 40 Ile CG1 . 17288 1 365 . 1 1 40 40 ILE CG2 C 13 18.700 0.010 . 1 . . . . 40 Ile CG2 . 17288 1 366 . 1 1 40 40 ILE CD1 C 13 9.789 0.005 . 1 . . . . 40 Ile CD1 . 17288 1 367 . 1 1 40 40 ILE N N 15 126.242 0.005 . 1 . . . . 40 Ile N . 17288 1 368 . 1 1 41 41 ILE H H 1 8.734 0.002 . 1 . . . . 41 Ile H . 17288 1 369 . 1 1 41 41 ILE HA H 1 4.645 0.005 . 1 . . . . 41 Ile HA . 17288 1 370 . 1 1 41 41 ILE HB H 1 2.058 0.006 . 1 . . . . 41 Ile HB . 17288 1 371 . 1 1 41 41 ILE HG12 H 1 1.231 0.009 . 2 . . . . 41 Ile HG12 . 17288 1 372 . 1 1 41 41 ILE HG13 H 1 1.225 0.013 . 2 . . . . 41 Ile HG13 . 17288 1 373 . 1 1 41 41 ILE HG21 H 1 0.766 0.004 . 1 . . . . 41 Ile HG21 . 17288 1 374 . 1 1 41 41 ILE HG22 H 1 0.766 0.004 . 1 . . . . 41 Ile HG22 . 17288 1 375 . 1 1 41 41 ILE HG23 H 1 0.766 0.004 . 1 . . . . 41 Ile HG23 . 17288 1 376 . 1 1 41 41 ILE HD11 H 1 0.761 0.014 . 1 . . . . 41 Ile HD11 . 17288 1 377 . 1 1 41 41 ILE HD12 H 1 0.761 0.014 . 1 . . . . 41 Ile HD12 . 17288 1 378 . 1 1 41 41 ILE HD13 H 1 0.761 0.014 . 1 . . . . 41 Ile HD13 . 17288 1 379 . 1 1 41 41 ILE C C 13 174.461 0.005 . 1 . . . . 41 Ile C . 17288 1 380 . 1 1 41 41 ILE CA C 13 61.407 0.005 . 1 . . . . 41 Ile CA . 17288 1 381 . 1 1 41 41 ILE CB C 13 39.410 0.005 . 1 . . . . 41 Ile CB . 17288 1 382 . 1 1 41 41 ILE CG1 C 13 27.080 0.005 . 1 . . . . 41 Ile CG1 . 17288 1 383 . 1 1 41 41 ILE CG2 C 13 17.875 0.005 . 1 . . . . 41 Ile CG2 . 17288 1 384 . 1 1 41 41 ILE CD1 C 13 15.258 0.005 . 1 . . . . 41 Ile CD1 . 17288 1 385 . 1 1 41 41 ILE N N 15 119.284 0.005 . 1 . . . . 41 Ile N . 17288 1 386 . 1 1 42 42 GLN H H 1 6.663 0.010 . 1 . . . . 42 Gln H . 17288 1 387 . 1 1 42 42 GLN HA H 1 4.352 0.002 . 1 . . . . 42 Gln HA . 17288 1 388 . 1 1 42 42 GLN HB2 H 1 2.718 0.010 . 2 . . . . 42 Gln HB2 . 17288 1 389 . 1 1 42 42 GLN HB3 H 1 1.833 0.004 . 2 . . . . 42 Gln HB3 . 17288 1 390 . 1 1 42 42 GLN HG2 H 1 1.653 0.005 . 2 . . . . 42 Gln HG2 . 17288 1 391 . 1 1 42 42 GLN HG3 H 1 1.653 0.005 . 2 . . . . 42 Gln HG3 . 17288 1 392 . 1 1 42 42 GLN HE21 H 1 8.148 0.005 . 1 . . . . 42 Gln HE21 . 17288 1 393 . 1 1 42 42 GLN HE22 H 1 7.678 0.002 . 1 . . . . 42 Gln HE22 . 17288 1 394 . 1 1 42 42 GLN C C 13 172.804 0.005 . 1 . . . . 42 Gln C . 17288 1 395 . 1 1 42 42 GLN CA C 13 56.428 0.005 . 1 . . . . 42 Gln CA . 17288 1 396 . 1 1 42 42 GLN CB C 13 31.546 0.005 . 1 . . . . 42 Gln CB . 17288 1 397 . 1 1 42 42 GLN CG C 13 31.338 0.005 . 1 . . . . 42 Gln CG . 17288 1 398 . 1 1 42 42 GLN N N 15 121.171 0.004 . 1 . . . . 42 Gln N . 17288 1 399 . 1 1 42 42 GLN NE2 N 15 117.579 0.007 . 1 . . . . 42 Gln NE2 . 17288 1 400 . 1 1 43 43 ASN H H 1 7.720 0.003 . 1 . . . . 43 Asn H . 17288 1 401 . 1 1 43 43 ASN HA H 1 4.457 0.002 . 1 . . . . 43 Asn HA . 17288 1 402 . 1 1 43 43 ASN HB2 H 1 2.746 0.014 . 2 . . . . 43 Asn HB2 . 17288 1 403 . 1 1 43 43 ASN HB3 H 1 3.022 0.007 . 2 . . . . 43 Asn HB3 . 17288 1 404 . 1 1 43 43 ASN HD21 H 1 8.150 0.004 . 1 . . . . 43 Asn HD21 . 17288 1 405 . 1 1 43 43 ASN HD22 H 1 7.423 0.003 . 1 . . . . 43 Asn HD22 . 17288 1 406 . 1 1 43 43 ASN C C 13 174.941 0.005 . 1 . . . . 43 Asn C . 17288 1 407 . 1 1 43 43 ASN CA C 13 54.425 0.005 . 1 . . . . 43 Asn CA . 17288 1 408 . 1 1 43 43 ASN CB C 13 39.957 0.005 . 1 . . . . 43 Asn CB . 17288 1 409 . 1 1 43 43 ASN N N 15 120.071 0.008 . 1 . . . . 43 Asn N . 17288 1 410 . 1 1 43 43 ASN ND2 N 15 110.796 0.007 . 1 . . . . 43 Asn ND2 . 17288 1 411 . 1 1 44 44 ASP H H 1 9.005 0.002 . 1 . . . . 44 Asp H . 17288 1 412 . 1 1 44 44 ASP HA H 1 4.682 0.002 . 1 . . . . 44 Asp HA . 17288 1 413 . 1 1 44 44 ASP HB2 H 1 2.748 0.005 . 2 . . . . 44 Asp HB2 . 17288 1 414 . 1 1 44 44 ASP HB3 H 1 2.656 0.005 . 2 . . . . 44 Asp HB3 . 17288 1 415 . 1 1 44 44 ASP C C 13 178.650 0.005 . 1 . . . . 44 Asp C . 17288 1 416 . 1 1 44 44 ASP CA C 13 58.159 0.005 . 1 . . . . 44 Asp CA . 17288 1 417 . 1 1 44 44 ASP CB C 13 40.950 0.005 . 1 . . . . 44 Asp CB . 17288 1 418 . 1 1 44 44 ASP N N 15 121.316 0.004 . 1 . . . . 44 Asp N . 17288 1 419 . 1 1 45 45 THR H H 1 8.595 0.003 . 1 . . . . 45 Thr H . 17288 1 420 . 1 1 45 45 THR HA H 1 4.375 0.003 . 1 . . . . 45 Thr HA . 17288 1 421 . 1 1 45 45 THR HB H 1 4.091 0.002 . 1 . . . . 45 Thr HB . 17288 1 422 . 1 1 45 45 THR HG21 H 1 1.352 0.004 . 1 . . . . 45 Thr HG21 . 17288 1 423 . 1 1 45 45 THR HG22 H 1 1.352 0.004 . 1 . . . . 45 Thr HG22 . 17288 1 424 . 1 1 45 45 THR HG23 H 1 1.352 0.004 . 1 . . . . 45 Thr HG23 . 17288 1 425 . 1 1 45 45 THR C C 13 176.746 0.005 . 1 . . . . 45 Thr C . 17288 1 426 . 1 1 45 45 THR CA C 13 67.870 0.005 . 1 . . . . 45 Thr CA . 17288 1 427 . 1 1 45 45 THR CB C 13 67.323 0.005 . 1 . . . . 45 Thr CB . 17288 1 428 . 1 1 45 45 THR CG2 C 13 22.250 0.005 . 1 . . . . 45 Thr CG2 . 17288 1 429 . 1 1 45 45 THR N N 15 121.318 0.006 . 1 . . . . 45 Thr N . 17288 1 430 . 1 1 46 46 GLY H H 1 8.415 0.008 . 1 . . . . 46 Gly H . 17288 1 431 . 1 1 46 46 GLY HA2 H 1 3.964 0.011 . 2 . . . . 46 Gly HA2 . 17288 1 432 . 1 1 46 46 GLY HA3 H 1 3.498 0.009 . 2 . . . . 46 Gly HA3 . 17288 1 433 . 1 1 46 46 GLY C C 13 176.320 0.005 . 1 . . . . 46 Gly C . 17288 1 434 . 1 1 46 46 GLY CA C 13 47.070 0.005 . 1 . . . . 46 Gly CA . 17288 1 435 . 1 1 46 46 GLY N N 15 110.500 0.005 . 1 . . . . 46 Gly N . 17288 1 436 . 1 1 47 47 ASN H H 1 8.094 0.006 . 1 . . . . 47 Asn H . 17288 1 437 . 1 1 47 47 ASN HA H 1 4.085 0.005 . 1 . . . . 47 Asn HA . 17288 1 438 . 1 1 47 47 ASN HB2 H 1 2.750 0.006 . 2 . . . . 47 Asn HB2 . 17288 1 439 . 1 1 47 47 ASN HB3 H 1 2.749 0.006 . 2 . . . . 47 Asn HB3 . 17288 1 440 . 1 1 47 47 ASN HD21 H 1 7.238 0.002 . 1 . . . . 47 Asn HD21 . 17288 1 441 . 1 1 47 47 ASN HD22 H 1 6.077 0.010 . 1 . . . . 47 Asn HD22 . 17288 1 442 . 1 1 47 47 ASN C C 13 177.429 0.005 . 1 . . . . 47 Asn C . 17288 1 443 . 1 1 47 47 ASN CA C 13 56.088 0.005 . 1 . . . . 47 Asn CA . 17288 1 444 . 1 1 47 47 ASN CB C 13 38.186 0.005 . 1 . . . . 47 Asn CB . 17288 1 445 . 1 1 47 47 ASN N N 15 117.763 0.014 . 1 . . . . 47 Asn N . 17288 1 446 . 1 1 47 47 ASN ND2 N 15 112.233 0.009 . 1 . . . . 47 Asn ND2 . 17288 1 447 . 1 1 48 48 LYS H H 1 7.609 0.004 . 1 . . . . 48 Lys H . 17288 1 448 . 1 1 48 48 LYS HA H 1 4.052 0.003 . 1 . . . . 48 Lys HA . 17288 1 449 . 1 1 48 48 LYS HB2 H 1 1.342 0.012 . 2 . . . . 48 Lys HB2 . 17288 1 450 . 1 1 48 48 LYS HB3 H 1 1.589 0.014 . 2 . . . . 48 Lys HB3 . 17288 1 451 . 1 1 48 48 LYS HG2 H 1 0.620 0.007 . 2 . . . . 48 Lys HG2 . 17288 1 452 . 1 1 48 48 LYS HG3 H 1 1.182 0.009 . 2 . . . . 48 Lys HG3 . 17288 1 453 . 1 1 48 48 LYS HD2 H 1 1.443 0.016 . 1 . . . . 48 Lys HD2 . 17288 1 454 . 1 1 48 48 LYS HD3 H 1 1.443 0.016 . 1 . . . . 48 Lys HD3 . 17288 1 455 . 1 1 48 48 LYS HE2 H 1 2.789 0.005 . 1 . . . . 48 Lys HE2 . 17288 1 456 . 1 1 48 48 LYS HE3 H 1 2.789 0.005 . 1 . . . . 48 Lys HE3 . 17288 1 457 . 1 1 48 48 LYS C C 13 178.000 0.005 . 1 . . . . 48 Lys C . 17288 1 458 . 1 1 48 48 LYS CA C 13 59.370 0.005 . 1 . . . . 48 Lys CA . 17288 1 459 . 1 1 48 48 LYS CB C 13 32.915 0.005 . 1 . . . . 48 Lys CB . 17288 1 460 . 1 1 48 48 LYS CG C 13 24.985 0.005 . 1 . . . . 48 Lys CG . 17288 1 461 . 1 1 48 48 LYS CD C 13 29.634 0.005 . 1 . . . . 48 Lys CD . 17288 1 462 . 1 1 48 48 LYS CE C 13 42.148 0.005 . 1 . . . . 48 Lys CE . 17288 1 463 . 1 1 48 48 LYS N N 15 120.925 0.011 . 1 . . . . 48 Lys N . 17288 1 464 . 1 1 49 49 TYR H H 1 7.559 0.003 . 1 . . . . 49 Tyr H . 17288 1 465 . 1 1 49 49 TYR HA H 1 4.692 0.004 . 1 . . . . 49 Tyr HA . 17288 1 466 . 1 1 49 49 TYR HB2 H 1 2.791 0.006 . 2 . . . . 49 Tyr HB2 . 17288 1 467 . 1 1 49 49 TYR HB3 H 1 3.237 0.002 . 2 . . . . 49 Tyr HB3 . 17288 1 468 . 1 1 49 49 TYR HD1 H 1 7.267 0.005 . 3 . . . . 49 Tyr HD1 . 17288 1 469 . 1 1 49 49 TYR HD2 H 1 7.267 0.005 . 3 . . . . 49 Tyr HD2 . 17288 1 470 . 1 1 49 49 TYR HE1 H 1 6.838 0.005 . 3 . . . . 49 Tyr HE1 . 17288 1 471 . 1 1 49 49 TYR HE2 H 1 6.838 0.005 . 3 . . . . 49 Tyr HE2 . 17288 1 472 . 1 1 49 49 TYR C C 13 176.654 0.005 . 1 . . . . 49 Tyr C . 17288 1 473 . 1 1 49 49 TYR CA C 13 59.348 0.005 . 1 . . . . 49 Tyr CA . 17288 1 474 . 1 1 49 49 TYR CB C 13 40.504 0.005 . 1 . . . . 49 Tyr CB . 17288 1 475 . 1 1 49 49 TYR CD1 C 13 133.578 0.005 . 3 . . . . 49 Tyr CD1 . 17288 1 476 . 1 1 49 49 TYR CD2 C 13 133.578 0.005 . 3 . . . . 49 Tyr CD2 . 17288 1 477 . 1 1 49 49 TYR CE1 C 13 117.990 0.005 . 3 . . . . 49 Tyr CE1 . 17288 1 478 . 1 1 49 49 TYR CE2 C 13 117.990 0.005 . 3 . . . . 49 Tyr CE2 . 17288 1 479 . 1 1 49 49 TYR N N 15 113.959 0.007 . 1 . . . . 49 Tyr N . 17288 1 480 . 1 1 50 50 SER H H 1 8.757 0.003 . 1 . . . . 50 Ser H . 17288 1 481 . 1 1 50 50 SER HA H 1 4.949 0.005 . 1 . . . . 50 Ser HA . 17288 1 482 . 1 1 50 50 SER HB2 H 1 4.132 0.009 . 2 . . . . 50 Ser HB2 . 17288 1 483 . 1 1 50 50 SER HB3 H 1 4.133 0.009 . 2 . . . . 50 Ser HB3 . 17288 1 484 . 1 1 50 50 SER C C 13 173.659 0.005 . 1 . . . . 50 Ser C . 17288 1 485 . 1 1 50 50 SER CA C 13 57.008 0.005 . 1 . . . . 50 Ser CA . 17288 1 486 . 1 1 50 50 SER CB C 13 64.019 0.005 . 1 . . . . 50 Ser CB . 17288 1 487 . 1 1 50 50 SER N N 15 117.416 0.010 . 1 . . . . 50 Ser N . 17288 1 488 . 1 1 51 51 PRO HA H 1 4.702 0.005 . 1 . . . . 51 Pro HA . 17288 1 489 . 1 1 51 51 PRO HB2 H 1 2.175 0.005 . 1 . . . . 51 Pro HB2 . 17288 1 490 . 1 1 51 51 PRO HB3 H 1 2.175 0.005 . 1 . . . . 51 Pro HB3 . 17288 1 491 . 1 1 51 51 PRO HG2 H 1 2.082 0.005 . 2 . . . . 51 Pro HG2 . 17288 1 492 . 1 1 51 51 PRO HG3 H 1 2.610 0.005 . 2 . . . . 51 Pro HG3 . 17288 1 493 . 1 1 51 51 PRO HD2 H 1 4.086 0.001 . 2 . . . . 51 Pro HD2 . 17288 1 494 . 1 1 51 51 PRO HD3 H 1 3.839 0.009 . 2 . . . . 51 Pro HD3 . 17288 1 495 . 1 1 51 51 PRO C C 13 175.861 0.005 . 1 . . . . 51 Pro C . 17288 1 496 . 1 1 51 51 PRO CA C 13 63.818 0.005 . 1 . . . . 51 Pro CA . 17288 1 497 . 1 1 51 51 PRO CB C 13 32.316 0.005 . 1 . . . . 51 Pro CB . 17288 1 498 . 1 1 51 51 PRO CG C 13 27.162 0.005 . 1 . . . . 51 Pro CG . 17288 1 499 . 1 1 51 51 PRO CD C 13 50.351 0.005 . 1 . . . . 51 Pro CD . 17288 1 500 . 1 1 52 52 THR H H 1 7.531 0.004 . 1 . . . . 52 Thr H . 17288 1 501 . 1 1 52 52 THR HA H 1 5.085 0.005 . 1 . . . . 52 Thr HA . 17288 1 502 . 1 1 52 52 THR HB H 1 4.002 0.003 . 1 . . . . 52 Thr HB . 17288 1 503 . 1 1 52 52 THR HG21 H 1 0.776 0.006 . 1 . . . . 52 Thr HG21 . 17288 1 504 . 1 1 52 52 THR HG22 H 1 0.776 0.006 . 1 . . . . 52 Thr HG22 . 17288 1 505 . 1 1 52 52 THR HG23 H 1 0.776 0.006 . 1 . . . . 52 Thr HG23 . 17288 1 506 . 1 1 52 52 THR C C 13 174.058 0.005 . 1 . . . . 52 Thr C . 17288 1 507 . 1 1 52 52 THR CA C 13 58.738 0.005 . 1 . . . . 52 Thr CA . 17288 1 508 . 1 1 52 52 THR CB C 13 71.152 0.005 . 1 . . . . 52 Thr CB . 17288 1 509 . 1 1 52 52 THR CG2 C 13 21.430 0.005 . 1 . . . . 52 Thr CG2 . 17288 1 510 . 1 1 52 52 THR N N 15 107.729 0.017 . 1 . . . . 52 Thr N . 17288 1 511 . 1 1 53 53 VAL H H 1 8.883 0.004 . 1 . . . . 53 Val H . 17288 1 512 . 1 1 53 53 VAL HA H 1 4.665 0.007 . 1 . . . . 53 Val HA . 17288 1 513 . 1 1 53 53 VAL HB H 1 1.823 0.005 . 1 . . . . 53 Val HB . 17288 1 514 . 1 1 53 53 VAL HG11 H 1 0.799 0.002 . 2 . . . . 53 Val HG11 . 17288 1 515 . 1 1 53 53 VAL HG12 H 1 0.799 0.002 . 2 . . . . 53 Val HG12 . 17288 1 516 . 1 1 53 53 VAL HG13 H 1 0.799 0.002 . 2 . . . . 53 Val HG13 . 17288 1 517 . 1 1 53 53 VAL HG21 H 1 0.631 0.003 . 2 . . . . 53 Val HG21 . 17288 1 518 . 1 1 53 53 VAL HG22 H 1 0.631 0.003 . 2 . . . . 53 Val HG22 . 17288 1 519 . 1 1 53 53 VAL HG23 H 1 0.631 0.003 . 2 . . . . 53 Val HG23 . 17288 1 520 . 1 1 53 53 VAL C C 13 173.416 0.005 . 1 . . . . 53 Val C . 17288 1 521 . 1 1 53 53 VAL CA C 13 58.697 0.005 . 1 . . . . 53 Val CA . 17288 1 522 . 1 1 53 53 VAL CB C 13 35.658 0.005 . 1 . . . . 53 Val CB . 17288 1 523 . 1 1 53 53 VAL CG1 C 13 22.250 0.005 . 2 . . . . 53 Val CG1 . 17288 1 524 . 1 1 53 53 VAL CG2 C 13 19.248 0.011 . 2 . . . . 53 Val CG2 . 17288 1 525 . 1 1 53 53 VAL N N 15 108.961 0.007 . 1 . . . . 53 Val N . 17288 1 526 . 1 1 54 54 ILE H H 1 5.957 0.003 . 1 . . . . 54 Ile H . 17288 1 527 . 1 1 54 54 ILE HA H 1 4.847 0.003 . 1 . . . . 54 Ile HA . 17288 1 528 . 1 1 54 54 ILE HB H 1 1.250 0.007 . 1 . . . . 54 Ile HB . 17288 1 529 . 1 1 54 54 ILE HG13 H 1 1.220 0.005 . 1 . . . . 54 Ile HG13 . 17288 1 530 . 1 1 54 54 ILE HG21 H 1 0.734 0.003 . 1 . . . . 54 Ile HG21 . 17288 1 531 . 1 1 54 54 ILE HG22 H 1 0.734 0.003 . 1 . . . . 54 Ile HG22 . 17288 1 532 . 1 1 54 54 ILE HG23 H 1 0.734 0.003 . 1 . . . . 54 Ile HG23 . 17288 1 533 . 1 1 54 54 ILE HD11 H 1 0.735 0.003 . 1 . . . . 54 Ile HD11 . 17288 1 534 . 1 1 54 54 ILE HD12 H 1 0.735 0.003 . 1 . . . . 54 Ile HD12 . 17288 1 535 . 1 1 54 54 ILE HD13 H 1 0.735 0.003 . 1 . . . . 54 Ile HD13 . 17288 1 536 . 1 1 54 54 ILE C C 13 175.823 0.005 . 1 . . . . 54 Ile C . 17288 1 537 . 1 1 54 54 ILE CA C 13 61.011 0.005 . 1 . . . . 54 Ile CA . 17288 1 538 . 1 1 54 54 ILE CB C 13 39.957 0.005 . 1 . . . . 54 Ile CB . 17288 1 539 . 1 1 54 54 ILE CG1 C 13 26.947 0.005 . 1 . . . . 54 Ile CG1 . 17288 1 540 . 1 1 54 54 ILE CG2 C 13 18.422 0.005 . 1 . . . . 54 Ile CG2 . 17288 1 541 . 1 1 54 54 ILE CD1 C 13 13.630 0.005 . 1 . . . . 54 Ile CD1 . 17288 1 542 . 1 1 54 54 ILE N N 15 119.411 0.005 . 1 . . . . 54 Ile N . 17288 1 543 . 1 1 55 55 VAL H H 1 9.076 0.004 . 1 . . . . 55 Val H . 17288 1 544 . 1 1 55 55 VAL HA H 1 5.839 0.010 . 1 . . . . 55 Val HA . 17288 1 545 . 1 1 55 55 VAL HB H 1 2.046 0.008 . 1 . . . . 55 Val HB . 17288 1 546 . 1 1 55 55 VAL HG11 H 1 0.683 0.015 . 2 . . . . 55 Val HG11 . 17288 1 547 . 1 1 55 55 VAL HG12 H 1 0.683 0.015 . 2 . . . . 55 Val HG12 . 17288 1 548 . 1 1 55 55 VAL HG13 H 1 0.683 0.015 . 2 . . . . 55 Val HG13 . 17288 1 549 . 1 1 55 55 VAL HG21 H 1 0.682 0.004 . 2 . . . . 55 Val HG21 . 17288 1 550 . 1 1 55 55 VAL HG22 H 1 0.682 0.004 . 2 . . . . 55 Val HG22 . 17288 1 551 . 1 1 55 55 VAL HG23 H 1 0.682 0.004 . 2 . . . . 55 Val HG23 . 17288 1 552 . 1 1 55 55 VAL C C 13 173.442 0.005 . 1 . . . . 55 Val C . 17288 1 553 . 1 1 55 55 VAL CA C 13 58.003 0.005 . 1 . . . . 55 Val CA . 17288 1 554 . 1 1 55 55 VAL CB C 13 35.376 0.005 . 1 . . . . 55 Val CB . 17288 1 555 . 1 1 55 55 VAL CG1 C 13 17.993 0.005 . 2 . . . . 55 Val CG1 . 17288 1 556 . 1 1 55 55 VAL CG2 C 13 21.991 0.014 . 2 . . . . 55 Val CG2 . 17288 1 557 . 1 1 55 55 VAL N N 15 121.014 0.012 . 1 . . . . 55 Val N . 17288 1 558 . 1 1 56 56 ALA H H 1 8.583 0.004 . 1 . . . . 56 Ala H . 17288 1 559 . 1 1 56 56 ALA HA H 1 5.464 0.014 . 1 . . . . 56 Ala HA . 17288 1 560 . 1 1 56 56 ALA HB1 H 1 1.181 0.006 . 1 . . . . 56 Ala HB1 . 17288 1 561 . 1 1 56 56 ALA HB2 H 1 1.181 0.006 . 1 . . . . 56 Ala HB2 . 17288 1 562 . 1 1 56 56 ALA HB3 H 1 1.181 0.006 . 1 . . . . 56 Ala HB3 . 17288 1 563 . 1 1 56 56 ALA C C 13 176.564 0.005 . 1 . . . . 56 Ala C . 17288 1 564 . 1 1 56 56 ALA CA C 13 49.782 0.005 . 1 . . . . 56 Ala CA . 17288 1 565 . 1 1 56 56 ALA CB C 13 23.089 0.013 . 1 . . . . 56 Ala CB . 17288 1 566 . 1 1 56 56 ALA N N 15 120.240 0.002 . 1 . . . . 56 Ala N . 17288 1 567 . 1 1 57 57 ALA H H 1 7.962 0.003 . 1 . . . . 57 Ala H . 17288 1 568 . 1 1 57 57 ALA HA H 1 4.310 0.007 . 1 . . . . 57 Ala HA . 17288 1 569 . 1 1 57 57 ALA HB1 H 1 1.322 0.003 . 1 . . . . 57 Ala HB1 . 17288 1 570 . 1 1 57 57 ALA HB2 H 1 1.322 0.003 . 1 . . . . 57 Ala HB2 . 17288 1 571 . 1 1 57 57 ALA HB3 H 1 1.322 0.003 . 1 . . . . 57 Ala HB3 . 17288 1 572 . 1 1 57 57 ALA C C 13 174.349 0.005 . 1 . . . . 57 Ala C . 17288 1 573 . 1 1 57 57 ALA CA C 13 52.811 0.002 . 1 . . . . 57 Ala CA . 17288 1 574 . 1 1 57 57 ALA CB C 13 20.339 0.009 . 1 . . . . 57 Ala CB . 17288 1 575 . 1 1 57 57 ALA N N 15 122.288 0.006 . 1 . . . . 57 Ala N . 17288 1 576 . 1 1 58 58 ILE H H 1 7.472 0.008 . 1 . . . . 58 Ile H . 17288 1 577 . 1 1 58 58 ILE HA H 1 4.904 0.003 . 1 . . . . 58 Ile HA . 17288 1 578 . 1 1 58 58 ILE HB H 1 1.719 0.002 . 1 . . . . 58 Ile HB . 17288 1 579 . 1 1 58 58 ILE HG21 H 1 0.641 0.004 . 1 . . . . 58 Ile HG21 . 17288 1 580 . 1 1 58 58 ILE HG22 H 1 0.641 0.004 . 1 . . . . 58 Ile HG22 . 17288 1 581 . 1 1 58 58 ILE HG23 H 1 0.641 0.004 . 1 . . . . 58 Ile HG23 . 17288 1 582 . 1 1 58 58 ILE HD11 H 1 0.513 0.011 . 1 . . . . 58 Ile HD11 . 17288 1 583 . 1 1 58 58 ILE HD12 H 1 0.513 0.011 . 1 . . . . 58 Ile HD12 . 17288 1 584 . 1 1 58 58 ILE HD13 H 1 0.513 0.011 . 1 . . . . 58 Ile HD13 . 17288 1 585 . 1 1 58 58 ILE C C 13 175.425 0.005 . 1 . . . . 58 Ile C . 17288 1 586 . 1 1 58 58 ILE CA C 13 60.105 0.005 . 1 . . . . 58 Ile CA . 17288 1 587 . 1 1 58 58 ILE CB C 13 39.136 0.005 . 1 . . . . 58 Ile CB . 17288 1 588 . 1 1 58 58 ILE CG1 C 13 29.389 0.005 . 1 . . . . 58 Ile CG1 . 17288 1 589 . 1 1 58 58 ILE CG2 C 13 17.993 0.005 . 1 . . . . 58 Ile CG2 . 17288 1 590 . 1 1 58 58 ILE CD1 C 13 14.438 0.005 . 1 . . . . 58 Ile CD1 . 17288 1 591 . 1 1 58 58 ILE N N 15 118.415 0.005 . 1 . . . . 58 Ile N . 17288 1 592 . 1 1 59 59 THR H H 1 8.809 0.006 . 1 . . . . 59 Thr H . 17288 1 593 . 1 1 59 59 THR HA H 1 4.871 0.005 . 1 . . . . 59 Thr HA . 17288 1 594 . 1 1 59 59 THR HB H 1 3.863 0.001 . 1 . . . . 59 Thr HB . 17288 1 595 . 1 1 59 59 THR HG21 H 1 1.091 0.004 . 1 . . . . 59 Thr HG21 . 17288 1 596 . 1 1 59 59 THR HG22 H 1 1.091 0.004 . 1 . . . . 59 Thr HG22 . 17288 1 597 . 1 1 59 59 THR HG23 H 1 1.091 0.004 . 1 . . . . 59 Thr HG23 . 17288 1 598 . 1 1 59 59 THR C C 13 171.872 0.005 . 1 . . . . 59 Thr C . 17288 1 599 . 1 1 59 59 THR CA C 13 58.965 0.005 . 1 . . . . 59 Thr CA . 17288 1 600 . 1 1 59 59 THR CB C 13 70.605 0.005 . 1 . . . . 59 Thr CB . 17288 1 601 . 1 1 59 59 THR CG2 C 13 20.348 0.013 . 1 . . . . 59 Thr CG2 . 17288 1 602 . 1 1 59 59 THR N N 15 119.775 0.005 . 1 . . . . 59 Thr N . 17288 1 603 . 1 1 60 60 GLY HA2 H 1 3.048 0.003 . 2 . . . . 60 Gly HA2 . 17288 1 604 . 1 1 60 60 GLY HA3 H 1 3.477 0.013 . 2 . . . . 60 Gly HA3 . 17288 1 605 . 1 1 60 60 GLY C C 13 174.663 0.005 . 1 . . . . 60 Gly C . 17288 1 606 . 1 1 60 60 GLY CA C 13 44.882 0.005 . 1 . . . . 60 Gly CA . 17288 1 607 . 1 1 61 61 ARG H H 1 8.638 0.012 . 1 . . . . 61 Arg H . 17288 1 608 . 1 1 61 61 ARG HA H 1 4.097 0.003 . 1 . . . . 61 Arg HA . 17288 1 609 . 1 1 61 61 ARG HB2 H 1 1.762 0.012 . 1 . . . . 61 Arg HB2 . 17288 1 610 . 1 1 61 61 ARG HB3 H 1 1.762 0.012 . 1 . . . . 61 Arg HB3 . 17288 1 611 . 1 1 61 61 ARG HG2 H 1 1.631 0.011 . 1 . . . . 61 Arg HG2 . 17288 1 612 . 1 1 61 61 ARG HG3 H 1 1.631 0.011 . 1 . . . . 61 Arg HG3 . 17288 1 613 . 1 1 61 61 ARG HD2 H 1 3.170 0.002 . 1 . . . . 61 Arg HD2 . 17288 1 614 . 1 1 61 61 ARG HD3 H 1 3.170 0.002 . 1 . . . . 61 Arg HD3 . 17288 1 615 . 1 1 61 61 ARG C C 13 175.858 0.005 . 1 . . . . 61 Arg C . 17288 1 616 . 1 1 61 61 ARG CA C 13 57.182 0.005 . 1 . . . . 61 Arg CA . 17288 1 617 . 1 1 61 61 ARG CB C 13 30.728 0.005 . 1 . . . . 61 Arg CB . 17288 1 618 . 1 1 61 61 ARG CD C 13 43.241 0.005 . 1 . . . . 61 Arg CD . 17288 1 619 . 1 1 61 61 ARG N N 15 122.642 0.005 . 1 . . . . 61 Arg N . 17288 1 620 . 1 1 62 62 ILE HA H 1 4.222 0.003 . 1 . . . . 62 Ile HA . 17288 1 621 . 1 1 62 62 ILE HB H 1 1.705 0.003 . 1 . . . . 62 Ile HB . 17288 1 622 . 1 1 62 62 ILE HG12 H 1 1.319 0.009 . 1 . . . . 62 Ile HG12 . 17288 1 623 . 1 1 62 62 ILE HG13 H 1 1.319 0.009 . 1 . . . . 62 Ile HG13 . 17288 1 624 . 1 1 62 62 ILE HG21 H 1 0.906 0.003 . 1 . . . . 62 Ile HG21 . 17288 1 625 . 1 1 62 62 ILE HG22 H 1 0.906 0.003 . 1 . . . . 62 Ile HG22 . 17288 1 626 . 1 1 62 62 ILE HG23 H 1 0.906 0.003 . 1 . . . . 62 Ile HG23 . 17288 1 627 . 1 1 62 62 ILE HD11 H 1 0.759 0.002 . 1 . . . . 62 Ile HD11 . 17288 1 628 . 1 1 62 62 ILE HD12 H 1 0.759 0.002 . 1 . . . . 62 Ile HD12 . 17288 1 629 . 1 1 62 62 ILE HD13 H 1 0.759 0.002 . 1 . . . . 62 Ile HD13 . 17288 1 630 . 1 1 62 62 ILE CA C 13 60.468 0.005 . 1 . . . . 62 Ile CA . 17288 1 631 . 1 1 62 62 ILE CB C 13 40.777 0.005 . 1 . . . . 62 Ile CB . 17288 1 632 . 1 1 62 62 ILE CG2 C 13 18.425 0.006 . 1 . . . . 62 Ile CG2 . 17288 1 633 . 1 1 62 62 ILE CD1 C 13 13.492 0.005 . 1 . . . . 62 Ile CD1 . 17288 1 634 . 1 1 65 65 ALA HA H 1 4.367 0.005 . 1 . . . . 65 Ala HA . 17288 1 635 . 1 1 65 65 ALA HB1 H 1 1.347 0.016 . 1 . . . . 65 Ala HB1 . 17288 1 636 . 1 1 65 65 ALA HB2 H 1 1.347 0.016 . 1 . . . . 65 Ala HB2 . 17288 1 637 . 1 1 65 65 ALA HB3 H 1 1.347 0.016 . 1 . . . . 65 Ala HB3 . 17288 1 638 . 1 1 65 65 ALA CA C 13 51.970 0.005 . 1 . . . . 65 Ala CA . 17288 1 639 . 1 1 65 65 ALA CB C 13 19.520 0.010 . 1 . . . . 65 Ala CB . 17288 1 640 . 1 1 67 67 ILE HB H 1 1.463 0.006 . 1 . . . . 67 Ile HB . 17288 1 641 . 1 1 67 67 ILE HG21 H 1 0.587 0.007 . 1 . . . . 67 Ile HG21 . 17288 1 642 . 1 1 67 67 ILE HG22 H 1 0.587 0.007 . 1 . . . . 67 Ile HG22 . 17288 1 643 . 1 1 67 67 ILE HG23 H 1 0.587 0.007 . 1 . . . . 67 Ile HG23 . 17288 1 644 . 1 1 67 67 ILE HD11 H 1 0.479 0.007 . 1 . . . . 67 Ile HD11 . 17288 1 645 . 1 1 67 67 ILE HD12 H 1 0.479 0.007 . 1 . . . . 67 Ile HD12 . 17288 1 646 . 1 1 67 67 ILE HD13 H 1 0.479 0.007 . 1 . . . . 67 Ile HD13 . 17288 1 647 . 1 1 67 67 ILE CB C 13 39.683 0.005 . 1 . . . . 67 Ile CB . 17288 1 648 . 1 1 67 67 ILE CG2 C 13 17.446 0.005 . 1 . . . . 67 Ile CG2 . 17288 1 649 . 1 1 67 67 ILE CD1 C 13 12.800 0.005 . 1 . . . . 67 Ile CD1 . 17288 1 650 . 1 1 68 68 PRO HA H 1 4.502 0.003 . 1 . . . . 68 Pro HA . 17288 1 651 . 1 1 68 68 PRO HB2 H 1 1.961 0.010 . 2 . . . . 68 Pro HB2 . 17288 1 652 . 1 1 68 68 PRO HB3 H 1 2.396 0.003 . 2 . . . . 68 Pro HB3 . 17288 1 653 . 1 1 68 68 PRO HG2 H 1 2.015 0.003 . 2 . . . . 68 Pro HG2 . 17288 1 654 . 1 1 68 68 PRO HG3 H 1 1.959 0.014 . 2 . . . . 68 Pro HG3 . 17288 1 655 . 1 1 68 68 PRO HD2 H 1 3.754 0.009 . 2 . . . . 68 Pro HD2 . 17288 1 656 . 1 1 68 68 PRO HD3 H 1 3.741 0.013 . 2 . . . . 68 Pro HD3 . 17288 1 657 . 1 1 68 68 PRO C C 13 176.080 0.005 . 1 . . . . 68 Pro C . 17288 1 658 . 1 1 68 68 PRO CA C 13 64.776 0.005 . 1 . . . . 68 Pro CA . 17288 1 659 . 1 1 68 68 PRO CB C 13 32.642 0.005 . 1 . . . . 68 Pro CB . 17288 1 660 . 1 1 68 68 PRO CG C 13 27.446 0.005 . 1 . . . . 68 Pro CG . 17288 1 661 . 1 1 68 68 PRO CD C 13 51.445 0.005 . 1 . . . . 68 Pro CD . 17288 1 662 . 1 1 69 69 THR H H 1 6.382 0.011 . 1 . . . . 69 Thr H . 17288 1 663 . 1 1 69 69 THR HA H 1 4.366 0.002 . 1 . . . . 69 Thr HA . 17288 1 664 . 1 1 69 69 THR HB H 1 4.629 0.002 . 1 . . . . 69 Thr HB . 17288 1 665 . 1 1 69 69 THR HG21 H 1 1.060 0.003 . 1 . . . . 69 Thr HG21 . 17288 1 666 . 1 1 69 69 THR HG22 H 1 1.060 0.003 . 1 . . . . 69 Thr HG22 . 17288 1 667 . 1 1 69 69 THR HG23 H 1 1.060 0.003 . 1 . . . . 69 Thr HG23 . 17288 1 668 . 1 1 69 69 THR C C 13 171.903 0.005 . 1 . . . . 69 Thr C . 17288 1 669 . 1 1 69 69 THR CA C 13 61.558 0.005 . 1 . . . . 69 Thr CA . 17288 1 670 . 1 1 69 69 THR CB C 13 68.066 0.005 . 1 . . . . 69 Thr CB . 17288 1 671 . 1 1 69 69 THR CG2 C 13 21.157 0.005 . 1 . . . . 69 Thr CG2 . 17288 1 672 . 1 1 69 69 THR N N 15 101.386 0.005 . 1 . . . . 69 Thr N . 17288 1 673 . 1 1 70 70 HIS H H 1 7.871 0.006 . 1 . . . . 70 His H . 17288 1 674 . 1 1 70 70 HIS HA H 1 5.937 0.008 . 1 . . . . 70 His HA . 17288 1 675 . 1 1 70 70 HIS HB2 H 1 3.298 0.007 . 2 . . . . 70 His HB2 . 17288 1 676 . 1 1 70 70 HIS HB3 H 1 2.681 0.003 . 2 . . . . 70 His HB3 . 17288 1 677 . 1 1 70 70 HIS HD2 H 1 7.436 0.004 . 1 . . . . 70 His HD2 . 17288 1 678 . 1 1 70 70 HIS C C 13 174.812 0.005 . 1 . . . . 70 His C . 17288 1 679 . 1 1 70 70 HIS CA C 13 52.790 0.005 . 1 . . . . 70 His CA . 17288 1 680 . 1 1 70 70 HIS CB C 13 34.283 0.005 . 1 . . . . 70 His CB . 17288 1 681 . 1 1 70 70 HIS N N 15 121.550 0.004 . 1 . . . . 70 His N . 17288 1 682 . 1 1 71 71 VAL H H 1 8.129 0.004 . 1 . . . . 71 Val H . 17288 1 683 . 1 1 71 71 VAL HA H 1 4.295 0.004 . 1 . . . . 71 Val HA . 17288 1 684 . 1 1 71 71 VAL HB H 1 1.585 0.006 . 1 . . . . 71 Val HB . 17288 1 685 . 1 1 71 71 VAL HG11 H 1 0.747 0.007 . 2 . . . . 71 Val HG11 . 17288 1 686 . 1 1 71 71 VAL HG12 H 1 0.747 0.007 . 2 . . . . 71 Val HG12 . 17288 1 687 . 1 1 71 71 VAL HG13 H 1 0.747 0.007 . 2 . . . . 71 Val HG13 . 17288 1 688 . 1 1 71 71 VAL HG21 H 1 0.893 0.006 . 2 . . . . 71 Val HG21 . 17288 1 689 . 1 1 71 71 VAL HG22 H 1 0.893 0.006 . 2 . . . . 71 Val HG22 . 17288 1 690 . 1 1 71 71 VAL HG23 H 1 0.893 0.006 . 2 . . . . 71 Val HG23 . 17288 1 691 . 1 1 71 71 VAL C C 13 175.120 0.005 . 1 . . . . 71 Val C . 17288 1 692 . 1 1 71 71 VAL CA C 13 61.011 0.005 . 1 . . . . 71 Val CA . 17288 1 693 . 1 1 71 71 VAL CB C 13 36.128 0.005 . 1 . . . . 71 Val CB . 17288 1 694 . 1 1 71 71 VAL CG1 C 13 22.524 0.005 . 2 . . . . 71 Val CG1 . 17288 1 695 . 1 1 71 71 VAL CG2 C 13 21.977 0.005 . 2 . . . . 71 Val CG2 . 17288 1 696 . 1 1 71 71 VAL N N 15 120.438 0.004 . 1 . . . . 71 Val N . 17288 1 697 . 1 1 72 72 GLU H H 1 9.178 0.007 . 1 . . . . 72 Glu H . 17288 1 698 . 1 1 72 72 GLU HA H 1 4.437 0.004 . 1 . . . . 72 Glu HA . 17288 1 699 . 1 1 72 72 GLU HB2 H 1 2.087 0.005 . 2 . . . . 72 Glu HB2 . 17288 1 700 . 1 1 72 72 GLU HB3 H 1 1.983 0.005 . 2 . . . . 72 Glu HB3 . 17288 1 701 . 1 1 72 72 GLU HG2 H 1 2.293 0.016 . 2 . . . . 72 Glu HG2 . 17288 1 702 . 1 1 72 72 GLU HG3 H 1 2.289 0.017 . 2 . . . . 72 Glu HG3 . 17288 1 703 . 1 1 72 72 GLU C C 13 175.724 0.005 . 1 . . . . 72 Glu C . 17288 1 704 . 1 1 72 72 GLU CA C 13 57.371 0.005 . 1 . . . . 72 Glu CA . 17288 1 705 . 1 1 72 72 GLU CB C 13 30.657 0.005 . 1 . . . . 72 Glu CB . 17288 1 706 . 1 1 72 72 GLU CG C 13 36.949 0.005 . 1 . . . . 72 Glu CG . 17288 1 707 . 1 1 72 72 GLU N N 15 128.536 0.009 . 1 . . . . 72 Glu N . 17288 1 708 . 1 1 73 73 ILE H H 1 8.351 0.003 . 1 . . . . 73 Ile H . 17288 1 709 . 1 1 73 73 ILE HA H 1 4.448 0.006 . 1 . . . . 73 Ile HA . 17288 1 710 . 1 1 73 73 ILE HB H 1 1.495 0.008 . 1 . . . . 73 Ile HB . 17288 1 711 . 1 1 73 73 ILE HG12 H 1 1.338 0.006 . 2 . . . . 73 Ile HG12 . 17288 1 712 . 1 1 73 73 ILE HG13 H 1 0.669 0.003 . 2 . . . . 73 Ile HG13 . 17288 1 713 . 1 1 73 73 ILE HG21 H 1 0.558 0.002 . 1 . . . . 73 Ile HG21 . 17288 1 714 . 1 1 73 73 ILE HG22 H 1 0.558 0.002 . 1 . . . . 73 Ile HG22 . 17288 1 715 . 1 1 73 73 ILE HG23 H 1 0.558 0.002 . 1 . . . . 73 Ile HG23 . 17288 1 716 . 1 1 73 73 ILE HD11 H 1 0.390 0.008 . 1 . . . . 73 Ile HD11 . 17288 1 717 . 1 1 73 73 ILE HD12 H 1 0.390 0.008 . 1 . . . . 73 Ile HD12 . 17288 1 718 . 1 1 73 73 ILE HD13 H 1 0.390 0.008 . 1 . . . . 73 Ile HD13 . 17288 1 719 . 1 1 73 73 ILE C C 13 174.200 0.005 . 1 . . . . 73 Ile C . 17288 1 720 . 1 1 73 73 ILE CA C 13 60.466 0.005 . 1 . . . . 73 Ile CA . 17288 1 721 . 1 1 73 73 ILE CB C 13 41.050 0.005 . 1 . . . . 73 Ile CB . 17288 1 722 . 1 1 73 73 ILE CG1 C 13 25.833 0.005 . 1 . . . . 73 Ile CG1 . 17288 1 723 . 1 1 73 73 ILE CG2 C 13 19.247 0.010 . 1 . . . . 73 Ile CG2 . 17288 1 724 . 1 1 73 73 ILE CD1 C 13 13.617 0.005 . 1 . . . . 73 Ile CD1 . 17288 1 725 . 1 1 73 73 ILE N N 15 117.095 0.009 . 1 . . . . 73 Ile N . 17288 1 726 . 1 1 74 74 GLU H H 1 8.986 0.005 . 1 . . . . 74 Glu H . 17288 1 727 . 1 1 74 74 GLU HA H 1 4.462 0.005 . 1 . . . . 74 Glu HA . 17288 1 728 . 1 1 74 74 GLU HB2 H 1 2.210 0.009 . 2 . . . . 74 Glu HB2 . 17288 1 729 . 1 1 74 74 GLU HB3 H 1 2.151 0.002 . 2 . . . . 74 Glu HB3 . 17288 1 730 . 1 1 74 74 GLU HG2 H 1 2.387 0.007 . 2 . . . . 74 Glu HG2 . 17288 1 731 . 1 1 74 74 GLU HG3 H 1 2.510 0.009 . 2 . . . . 74 Glu HG3 . 17288 1 732 . 1 1 74 74 GLU C C 13 177.212 0.005 . 1 . . . . 74 Glu C . 17288 1 733 . 1 1 74 74 GLU CA C 13 57.008 0.005 . 1 . . . . 74 Glu CA . 17288 1 734 . 1 1 74 74 GLU CB C 13 30.728 0.005 . 1 . . . . 74 Glu CB . 17288 1 735 . 1 1 74 74 GLU CG C 13 36.675 0.005 . 1 . . . . 74 Glu CG . 17288 1 736 . 1 1 74 74 GLU N N 15 126.208 0.005 . 1 . . . . 74 Glu N . 17288 1 737 . 1 1 75 75 LYS H H 1 9.232 0.006 . 1 . . . . 75 Lys H . 17288 1 738 . 1 1 75 75 LYS HA H 1 3.933 0.003 . 1 . . . . 75 Lys HA . 17288 1 739 . 1 1 75 75 LYS HB2 H 1 1.430 0.006 . 2 . . . . 75 Lys HB2 . 17288 1 740 . 1 1 75 75 LYS HB3 H 1 1.712 0.003 . 2 . . . . 75 Lys HB3 . 17288 1 741 . 1 1 75 75 LYS HG2 H 1 1.173 0.002 . 2 . . . . 75 Lys HG2 . 17288 1 742 . 1 1 75 75 LYS HG3 H 1 1.365 0.008 . 2 . . . . 75 Lys HG3 . 17288 1 743 . 1 1 75 75 LYS HD2 H 1 1.507 0.001 . 2 . . . . 75 Lys HD2 . 17288 1 744 . 1 1 75 75 LYS HD3 H 1 1.372 0.001 . 2 . . . . 75 Lys HD3 . 17288 1 745 . 1 1 75 75 LYS HE2 H 1 2.933 0.005 . 1 . . . . 75 Lys HE2 . 17288 1 746 . 1 1 75 75 LYS HE3 H 1 2.933 0.005 . 1 . . . . 75 Lys HE3 . 17288 1 747 . 1 1 75 75 LYS C C 13 178.130 0.005 . 1 . . . . 75 Lys C . 17288 1 748 . 1 1 75 75 LYS CA C 13 59.370 0.005 . 1 . . . . 75 Lys CA . 17288 1 749 . 1 1 75 75 LYS CB C 13 32.095 0.005 . 1 . . . . 75 Lys CB . 17288 1 750 . 1 1 75 75 LYS CG C 13 24.165 0.005 . 1 . . . . 75 Lys CG . 17288 1 751 . 1 1 75 75 LYS CD C 13 29.907 0.005 . 1 . . . . 75 Lys CD . 17288 1 752 . 1 1 75 75 LYS CE C 13 41.914 0.005 . 1 . . . . 75 Lys CE . 17288 1 753 . 1 1 75 75 LYS N N 15 123.703 0.005 . 1 . . . . 75 Lys N . 17288 1 754 . 1 1 76 76 LYS H H 1 8.491 0.009 . 1 . . . . 76 Lys H . 17288 1 755 . 1 1 76 76 LYS HA H 1 4.012 0.014 . 1 . . . . 76 Lys HA . 17288 1 756 . 1 1 76 76 LYS HB2 H 1 1.877 0.013 . 2 . . . . 76 Lys HB2 . 17288 1 757 . 1 1 76 76 LYS HB3 H 1 1.794 0.002 . 2 . . . . 76 Lys HB3 . 17288 1 758 . 1 1 76 76 LYS HG2 H 1 1.353 0.005 . 2 . . . . 76 Lys HG2 . 17288 1 759 . 1 1 76 76 LYS HG3 H 1 1.412 0.011 . 2 . . . . 76 Lys HG3 . 17288 1 760 . 1 1 76 76 LYS HD2 H 1 1.666 0.004 . 2 . . . . 76 Lys HD2 . 17288 1 761 . 1 1 76 76 LYS HD3 H 1 1.666 0.004 . 2 . . . . 76 Lys HD3 . 17288 1 762 . 1 1 76 76 LYS HE2 H 1 2.958 0.006 . 2 . . . . 76 Lys HE2 . 17288 1 763 . 1 1 76 76 LYS HE3 H 1 2.958 0.006 . 2 . . . . 76 Lys HE3 . 17288 1 764 . 1 1 76 76 LYS C C 13 178.440 0.005 . 1 . . . . 76 Lys C . 17288 1 765 . 1 1 76 76 LYS CA C 13 59.096 0.005 . 1 . . . . 76 Lys CA . 17288 1 766 . 1 1 76 76 LYS CB C 13 32.095 0.005 . 1 . . . . 76 Lys CB . 17288 1 767 . 1 1 76 76 LYS CG C 13 24.985 0.005 . 1 . . . . 76 Lys CG . 17288 1 768 . 1 1 76 76 LYS CD C 13 29.087 0.005 . 1 . . . . 76 Lys CD . 17288 1 769 . 1 1 76 76 LYS CE C 13 40.909 0.005 . 1 . . . . 76 Lys CE . 17288 1 770 . 1 1 76 76 LYS N N 15 118.166 0.005 . 1 . . . . 76 Lys N . 17288 1 771 . 1 1 77 77 LYS H H 1 7.548 0.004 . 1 . . . . 77 Lys H . 17288 1 772 . 1 1 77 77 LYS HA H 1 3.940 0.004 . 1 . . . . 77 Lys HA . 17288 1 773 . 1 1 77 77 LYS HB2 H 1 1.103 0.007 . 2 . . . . 77 Lys HB2 . 17288 1 774 . 1 1 77 77 LYS HB3 H 1 1.477 0.006 . 2 . . . . 77 Lys HB3 . 17288 1 775 . 1 1 77 77 LYS HG2 H 1 0.565 0.007 . 2 . . . . 77 Lys HG2 . 17288 1 776 . 1 1 77 77 LYS HG3 H 1 0.885 0.003 . 2 . . . . 77 Lys HG3 . 17288 1 777 . 1 1 77 77 LYS HD2 H 1 1.456 0.006 . 1 . . . . 77 Lys HD2 . 17288 1 778 . 1 1 77 77 LYS HD3 H 1 1.456 0.006 . 1 . . . . 77 Lys HD3 . 17288 1 779 . 1 1 77 77 LYS HE2 H 1 2.819 0.014 . 1 . . . . 77 Lys HE2 . 17288 1 780 . 1 1 77 77 LYS HE3 H 1 2.819 0.014 . 1 . . . . 77 Lys HE3 . 17288 1 781 . 1 1 77 77 LYS C C 13 176.819 0.005 . 1 . . . . 77 Lys C . 17288 1 782 . 1 1 77 77 LYS CA C 13 58.003 0.005 . 1 . . . . 77 Lys CA . 17288 1 783 . 1 1 77 77 LYS CB C 13 33.736 0.005 . 1 . . . . 77 Lys CB . 17288 1 784 . 1 1 77 77 LYS CG C 13 24.985 0.005 . 1 . . . . 77 Lys CG . 17288 1 785 . 1 1 77 77 LYS CD C 13 29.087 0.005 . 1 . . . . 77 Lys CD . 17288 1 786 . 1 1 77 77 LYS CE C 13 42.148 0.005 . 1 . . . . 77 Lys CE . 17288 1 787 . 1 1 77 77 LYS N N 15 117.539 0.004 . 1 . . . . 77 Lys N . 17288 1 788 . 1 1 78 78 TYR H H 1 7.086 0.005 . 1 . . . . 78 Tyr H . 17288 1 789 . 1 1 78 78 TYR HA H 1 4.561 0.002 . 1 . . . . 78 Tyr HA . 17288 1 790 . 1 1 78 78 TYR HB2 H 1 3.136 0.011 . 2 . . . . 78 Tyr HB2 . 17288 1 791 . 1 1 78 78 TYR HB3 H 1 2.480 0.006 . 2 . . . . 78 Tyr HB3 . 17288 1 792 . 1 1 78 78 TYR HD1 H 1 7.369 0.012 . 3 . . . . 78 Tyr HD1 . 17288 1 793 . 1 1 78 78 TYR HD2 H 1 7.369 0.012 . 3 . . . . 78 Tyr HD2 . 17288 1 794 . 1 1 78 78 TYR HE1 H 1 7.058 0.004 . 3 . . . . 78 Tyr HE1 . 17288 1 795 . 1 1 78 78 TYR HE2 H 1 7.058 0.004 . 3 . . . . 78 Tyr HE2 . 17288 1 796 . 1 1 78 78 TYR C C 13 173.061 0.005 . 1 . . . . 78 Tyr C . 17288 1 797 . 1 1 78 78 TYR CA C 13 58.527 0.005 . 1 . . . . 78 Tyr CA . 17288 1 798 . 1 1 78 78 TYR CB C 13 38.042 0.005 . 1 . . . . 78 Tyr CB . 17288 1 799 . 1 1 78 78 TYR CD1 C 13 133.743 0.005 . 3 . . . . 78 Tyr CD1 . 17288 1 800 . 1 1 78 78 TYR CD2 C 13 133.743 0.005 . 3 . . . . 78 Tyr CD2 . 17288 1 801 . 1 1 78 78 TYR CE1 C 13 118.400 0.005 . 3 . . . . 78 Tyr CE1 . 17288 1 802 . 1 1 78 78 TYR CE2 C 13 118.400 0.005 . 3 . . . . 78 Tyr CE2 . 17288 1 803 . 1 1 78 78 TYR N N 15 114.068 0.005 . 1 . . . . 78 Tyr N . 17288 1 804 . 1 1 79 79 LYS H H 1 7.577 0.013 . 1 . . . . 79 Lys H . 17288 1 805 . 1 1 79 79 LYS HA H 1 3.923 0.005 . 1 . . . . 79 Lys HA . 17288 1 806 . 1 1 79 79 LYS HB2 H 1 1.931 0.003 . 2 . . . . 79 Lys HB2 . 17288 1 807 . 1 1 79 79 LYS HB3 H 1 1.929 0.003 . 2 . . . . 79 Lys HB3 . 17288 1 808 . 1 1 79 79 LYS HG2 H 1 1.284 0.008 . 2 . . . . 79 Lys HG2 . 17288 1 809 . 1 1 79 79 LYS HG3 H 1 1.286 0.007 . 2 . . . . 79 Lys HG3 . 17288 1 810 . 1 1 79 79 LYS HD2 H 1 1.653 0.001 . 1 . . . . 79 Lys HD2 . 17288 1 811 . 1 1 79 79 LYS HD3 H 1 1.653 0.001 . 1 . . . . 79 Lys HD3 . 17288 1 812 . 1 1 79 79 LYS HE2 H 1 2.973 0.005 . 1 . . . . 79 Lys HE2 . 17288 1 813 . 1 1 79 79 LYS HE3 H 1 2.973 0.005 . 1 . . . . 79 Lys HE3 . 17288 1 814 . 1 1 79 79 LYS C C 13 175.681 0.005 . 1 . . . . 79 Lys C . 17288 1 815 . 1 1 79 79 LYS CA C 13 57.182 0.005 . 1 . . . . 79 Lys CA . 17288 1 816 . 1 1 79 79 LYS CB C 13 28.813 0.005 . 1 . . . . 79 Lys CB . 17288 1 817 . 1 1 79 79 LYS CG C 13 25.259 0.005 . 1 . . . . 79 Lys CG . 17288 1 818 . 1 1 79 79 LYS CD C 13 29.194 0.005 . 1 . . . . 79 Lys CD . 17288 1 819 . 1 1 79 79 LYS CE C 13 42.393 0.005 . 1 . . . . 79 Lys CE . 17288 1 820 . 1 1 79 79 LYS N N 15 113.511 0.002 . 1 . . . . 79 Lys N . 17288 1 821 . 1 1 80 80 LEU H H 1 7.385 0.016 . 1 . . . . 80 Leu H . 17288 1 822 . 1 1 80 80 LEU HA H 1 4.560 0.014 . 1 . . . . 80 Leu HA . 17288 1 823 . 1 1 80 80 LEU HB2 H 1 1.482 0.008 . 2 . . . . 80 Leu HB2 . 17288 1 824 . 1 1 80 80 LEU HB3 H 1 1.690 0.010 . 2 . . . . 80 Leu HB3 . 17288 1 825 . 1 1 80 80 LEU HG H 1 1.484 0.002 . 1 . . . . 80 Leu HG . 17288 1 826 . 1 1 80 80 LEU HD11 H 1 0.688 0.007 . 2 . . . . 80 Leu HD11 . 17288 1 827 . 1 1 80 80 LEU HD12 H 1 0.688 0.007 . 2 . . . . 80 Leu HD12 . 17288 1 828 . 1 1 80 80 LEU HD13 H 1 0.688 0.007 . 2 . . . . 80 Leu HD13 . 17288 1 829 . 1 1 80 80 LEU HD21 H 1 0.713 0.012 . 2 . . . . 80 Leu HD21 . 17288 1 830 . 1 1 80 80 LEU HD22 H 1 0.713 0.012 . 2 . . . . 80 Leu HD22 . 17288 1 831 . 1 1 80 80 LEU HD23 H 1 0.713 0.012 . 2 . . . . 80 Leu HD23 . 17288 1 832 . 1 1 80 80 LEU C C 13 176.755 0.005 . 1 . . . . 80 Leu C . 17288 1 833 . 1 1 80 80 LEU CA C 13 53.080 0.005 . 1 . . . . 80 Leu CA . 17288 1 834 . 1 1 80 80 LEU CB C 13 44.062 0.005 . 1 . . . . 80 Leu CB . 17288 1 835 . 1 1 80 80 LEU CG C 13 26.352 0.005 . 1 . . . . 80 Leu CG . 17288 1 836 . 1 1 80 80 LEU CD1 C 13 22.250 0.005 . 2 . . . . 80 Leu CD1 . 17288 1 837 . 1 1 80 80 LEU CD2 C 13 26.352 0.005 . 2 . . . . 80 Leu CD2 . 17288 1 838 . 1 1 80 80 LEU N N 15 117.078 0.006 . 1 . . . . 80 Leu N . 17288 1 839 . 1 1 81 81 ASP H H 1 8.709 0.012 . 1 . . . . 81 Asp H . 17288 1 840 . 1 1 81 81 ASP HA H 1 4.365 0.006 . 1 . . . . 81 Asp HA . 17288 1 841 . 1 1 81 81 ASP HB2 H 1 2.630 0.002 . 2 . . . . 81 Asp HB2 . 17288 1 842 . 1 1 81 81 ASP HB3 H 1 2.630 0.002 . 2 . . . . 81 Asp HB3 . 17288 1 843 . 1 1 81 81 ASP C C 13 176.241 0.005 . 1 . . . . 81 Asp C . 17288 1 844 . 1 1 81 81 ASP CA C 13 55.815 0.005 . 1 . . . . 81 Asp CA . 17288 1 845 . 1 1 81 81 ASP CB C 13 41.053 0.001 . 1 . . . . 81 Asp CB . 17288 1 846 . 1 1 81 81 ASP N N 15 117.759 0.002 . 1 . . . . 81 Asp N . 17288 1 847 . 1 1 82 82 LYS H H 1 7.299 0.002 . 1 . . . . 82 Lys H . 17288 1 848 . 1 1 82 82 LYS HA H 1 4.473 0.002 . 1 . . . . 82 Lys HA . 17288 1 849 . 1 1 82 82 LYS HB2 H 1 1.906 0.007 . 2 . . . . 82 Lys HB2 . 17288 1 850 . 1 1 82 82 LYS HB3 H 1 1.588 0.014 . 2 . . . . 82 Lys HB3 . 17288 1 851 . 1 1 82 82 LYS HG2 H 1 1.270 0.015 . 2 . . . . 82 Lys HG2 . 17288 1 852 . 1 1 82 82 LYS HG3 H 1 1.303 0.007 . 2 . . . . 82 Lys HG3 . 17288 1 853 . 1 1 82 82 LYS HD2 H 1 1.608 0.010 . 1 . . . . 82 Lys HD2 . 17288 1 854 . 1 1 82 82 LYS HD3 H 1 1.608 0.010 . 1 . . . . 82 Lys HD3 . 17288 1 855 . 1 1 82 82 LYS HE2 H 1 2.935 0.004 . 1 . . . . 82 Lys HE2 . 17288 1 856 . 1 1 82 82 LYS HE3 H 1 2.935 0.004 . 1 . . . . 82 Lys HE3 . 17288 1 857 . 1 1 82 82 LYS C C 13 176.086 0.005 . 1 . . . . 82 Lys C . 17288 1 858 . 1 1 82 82 LYS CA C 13 54.546 0.005 . 1 . . . . 82 Lys CA . 17288 1 859 . 1 1 82 82 LYS CB C 13 35.581 0.005 . 1 . . . . 82 Lys CB . 17288 1 860 . 1 1 82 82 LYS CG C 13 23.344 0.005 . 1 . . . . 82 Lys CG . 17288 1 861 . 1 1 82 82 LYS CD C 13 29.379 0.005 . 1 . . . . 82 Lys CD . 17288 1 862 . 1 1 82 82 LYS N N 15 113.951 0.012 . 1 . . . . 82 Lys N . 17288 1 863 . 1 1 83 83 ASP H H 1 8.883 0.005 . 1 . . . . 83 Asp H . 17288 1 864 . 1 1 83 83 ASP HA H 1 4.551 0.001 . 1 . . . . 83 Asp HA . 17288 1 865 . 1 1 83 83 ASP HB2 H 1 3.107 0.005 . 1 . . . . 83 Asp HB2 . 17288 1 866 . 1 1 83 83 ASP HB3 H 1 3.107 0.005 . 1 . . . . 83 Asp HB3 . 17288 1 867 . 1 1 83 83 ASP C C 13 175.853 0.005 . 1 . . . . 83 Asp C . 17288 1 868 . 1 1 83 83 ASP CA C 13 57.068 0.005 . 1 . . . . 83 Asp CA . 17288 1 869 . 1 1 83 83 ASP CB C 13 40.207 0.005 . 1 . . . . 83 Asp CB . 17288 1 870 . 1 1 83 83 ASP N N 15 125.350 0.005 . 1 . . . . 83 Asp N . 17288 1 871 . 1 1 84 84 SER H H 1 8.209 0.003 . 1 . . . . 84 Ser H . 17288 1 872 . 1 1 84 84 SER HA H 1 5.488 0.002 . 1 . . . . 84 Ser HA . 17288 1 873 . 1 1 84 84 SER HB2 H 1 3.231 0.005 . 2 . . . . 84 Ser HB2 . 17288 1 874 . 1 1 84 84 SER HB3 H 1 3.736 0.005 . 2 . . . . 84 Ser HB3 . 17288 1 875 . 1 1 84 84 SER C C 13 172.309 0.005 . 1 . . . . 84 Ser C . 17288 1 876 . 1 1 84 84 SER CA C 13 58.918 0.005 . 1 . . . . 84 Ser CA . 17288 1 877 . 1 1 84 84 SER CB C 13 68.144 0.005 . 1 . . . . 84 Ser CB . 17288 1 878 . 1 1 84 84 SER N N 15 118.079 0.005 . 1 . . . . 84 Ser N . 17288 1 879 . 1 1 85 85 VAL H H 1 9.012 0.015 . 1 . . . . 85 Val H . 17288 1 880 . 1 1 85 85 VAL HA H 1 4.789 0.004 . 1 . . . . 85 Val HA . 17288 1 881 . 1 1 85 85 VAL HB H 1 1.550 0.009 . 1 . . . . 85 Val HB . 17288 1 882 . 1 1 85 85 VAL HG11 H 1 0.522 0.007 . 2 . . . . 85 Val HG11 . 17288 1 883 . 1 1 85 85 VAL HG12 H 1 0.522 0.007 . 2 . . . . 85 Val HG12 . 17288 1 884 . 1 1 85 85 VAL HG13 H 1 0.522 0.007 . 2 . . . . 85 Val HG13 . 17288 1 885 . 1 1 85 85 VAL HG21 H 1 0.516 0.008 . 2 . . . . 85 Val HG21 . 17288 1 886 . 1 1 85 85 VAL HG22 H 1 0.516 0.008 . 2 . . . . 85 Val HG22 . 17288 1 887 . 1 1 85 85 VAL HG23 H 1 0.516 0.008 . 2 . . . . 85 Val HG23 . 17288 1 888 . 1 1 85 85 VAL C C 13 173.545 0.005 . 1 . . . . 85 Val C . 17288 1 889 . 1 1 85 85 VAL CA C 13 60.105 0.005 . 1 . . . . 85 Val CA . 17288 1 890 . 1 1 85 85 VAL CB C 13 36.128 0.005 . 1 . . . . 85 Val CB . 17288 1 891 . 1 1 85 85 VAL CG1 C 13 21.918 0.006 . 2 . . . . 85 Val CG1 . 17288 1 892 . 1 1 85 85 VAL CG2 C 13 21.430 0.005 . 2 . . . . 85 Val CG2 . 17288 1 893 . 1 1 85 85 VAL N N 15 119.676 0.004 . 1 . . . . 85 Val N . 17288 1 894 . 1 1 86 86 ILE H H 1 9.489 0.004 . 1 . . . . 86 Ile H . 17288 1 895 . 1 1 86 86 ILE HA H 1 4.118 0.007 . 1 . . . . 86 Ile HA . 17288 1 896 . 1 1 86 86 ILE HB H 1 1.589 0.005 . 1 . . . . 86 Ile HB . 17288 1 897 . 1 1 86 86 ILE HG12 H 1 0.883 0.008 . 1 . . . . 86 Ile HG12 . 17288 1 898 . 1 1 86 86 ILE HG13 H 1 0.883 0.008 . 1 . . . . 86 Ile HG13 . 17288 1 899 . 1 1 86 86 ILE HG21 H 1 0.693 0.002 . 1 . . . . 86 Ile HG21 . 17288 1 900 . 1 1 86 86 ILE HG22 H 1 0.693 0.002 . 1 . . . . 86 Ile HG22 . 17288 1 901 . 1 1 86 86 ILE HG23 H 1 0.693 0.002 . 1 . . . . 86 Ile HG23 . 17288 1 902 . 1 1 86 86 ILE HD11 H 1 0.536 0.009 . 1 . . . . 86 Ile HD11 . 17288 1 903 . 1 1 86 86 ILE HD12 H 1 0.536 0.009 . 1 . . . . 86 Ile HD12 . 17288 1 904 . 1 1 86 86 ILE HD13 H 1 0.536 0.009 . 1 . . . . 86 Ile HD13 . 17288 1 905 . 1 1 86 86 ILE C C 13 174.889 0.005 . 1 . . . . 86 Ile C . 17288 1 906 . 1 1 86 86 ILE CA C 13 60.737 0.005 . 1 . . . . 86 Ile CA . 17288 1 907 . 1 1 86 86 ILE CB C 13 38.863 0.005 . 1 . . . . 86 Ile CB . 17288 1 908 . 1 1 86 86 ILE CG1 C 13 29.360 0.005 . 1 . . . . 86 Ile CG1 . 17288 1 909 . 1 1 86 86 ILE CG2 C 13 19.789 0.005 . 1 . . . . 86 Ile CG2 . 17288 1 910 . 1 1 86 86 ILE CD1 C 13 15.258 0.005 . 1 . . . . 86 Ile CD1 . 17288 1 911 . 1 1 86 86 ILE N N 15 124.666 0.005 . 1 . . . . 86 Ile N . 17288 1 912 . 1 1 87 87 LEU H H 1 8.756 0.009 . 1 . . . . 87 Leu H . 17288 1 913 . 1 1 87 87 LEU HA H 1 4.608 0.014 . 1 . . . . 87 Leu HA . 17288 1 914 . 1 1 87 87 LEU HB2 H 1 1.050 0.016 . 1 . . . . 87 Leu HB2 . 17288 1 915 . 1 1 87 87 LEU HB3 H 1 1.050 0.016 . 1 . . . . 87 Leu HB3 . 17288 1 916 . 1 1 87 87 LEU HG H 1 1.398 0.007 . 1 . . . . 87 Leu HG . 17288 1 917 . 1 1 87 87 LEU HD11 H 1 0.660 0.005 . 2 . . . . 87 Leu HD11 . 17288 1 918 . 1 1 87 87 LEU HD12 H 1 0.660 0.005 . 2 . . . . 87 Leu HD12 . 17288 1 919 . 1 1 87 87 LEU HD13 H 1 0.660 0.005 . 2 . . . . 87 Leu HD13 . 17288 1 920 . 1 1 87 87 LEU HD21 H 1 0.232 0.003 . 2 . . . . 87 Leu HD21 . 17288 1 921 . 1 1 87 87 LEU HD22 H 1 0.232 0.003 . 2 . . . . 87 Leu HD22 . 17288 1 922 . 1 1 87 87 LEU HD23 H 1 0.232 0.003 . 2 . . . . 87 Leu HD23 . 17288 1 923 . 1 1 87 87 LEU C C 13 176.147 0.005 . 1 . . . . 87 Leu C . 17288 1 924 . 1 1 87 87 LEU CA C 13 52.765 0.005 . 1 . . . . 87 Leu CA . 17288 1 925 . 1 1 87 87 LEU CB C 13 41.874 0.005 . 1 . . . . 87 Leu CB . 17288 1 926 . 1 1 87 87 LEU CG C 13 26.352 0.005 . 1 . . . . 87 Leu CG . 17288 1 927 . 1 1 87 87 LEU CD1 C 13 26.352 0.005 . 2 . . . . 87 Leu CD1 . 17288 1 928 . 1 1 87 87 LEU CD2 C 13 22.524 0.005 . 2 . . . . 87 Leu CD2 . 17288 1 929 . 1 1 87 87 LEU N N 15 127.733 0.005 . 1 . . . . 87 Leu N . 17288 1 930 . 1 1 88 88 LEU H H 1 8.850 0.004 . 1 . . . . 88 Leu H . 17288 1 931 . 1 1 88 88 LEU HA H 1 4.409 0.004 . 1 . . . . 88 Leu HA . 17288 1 932 . 1 1 88 88 LEU HB2 H 1 1.919 0.001 . 1 . . . . 88 Leu HB2 . 17288 1 933 . 1 1 88 88 LEU HB3 H 1 1.919 0.001 . 1 . . . . 88 Leu HB3 . 17288 1 934 . 1 1 88 88 LEU HG H 1 1.657 0.005 . 1 . . . . 88 Leu HG . 17288 1 935 . 1 1 88 88 LEU HD11 H 1 0.794 0.002 . 2 . . . . 88 Leu HD11 . 17288 1 936 . 1 1 88 88 LEU HD12 H 1 0.794 0.002 . 2 . . . . 88 Leu HD12 . 17288 1 937 . 1 1 88 88 LEU HD13 H 1 0.794 0.002 . 2 . . . . 88 Leu HD13 . 17288 1 938 . 1 1 88 88 LEU HD21 H 1 0.873 0.004 . 2 . . . . 88 Leu HD21 . 17288 1 939 . 1 1 88 88 LEU HD22 H 1 0.873 0.004 . 2 . . . . 88 Leu HD22 . 17288 1 940 . 1 1 88 88 LEU HD23 H 1 0.873 0.004 . 2 . . . . 88 Leu HD23 . 17288 1 941 . 1 1 88 88 LEU C C 13 177.196 0.005 . 1 . . . . 88 Leu C . 17288 1 942 . 1 1 88 88 LEU CA C 13 54.705 0.005 . 1 . . . . 88 Leu CA . 17288 1 943 . 1 1 88 88 LEU CB C 13 35.976 0.005 . 1 . . . . 88 Leu CB . 17288 1 944 . 1 1 88 88 LEU CG C 13 25.559 0.005 . 1 . . . . 88 Leu CG . 17288 1 945 . 1 1 88 88 LEU CD1 C 13 23.098 0.005 . 2 . . . . 88 Leu CD1 . 17288 1 946 . 1 1 88 88 LEU CD2 C 13 25.532 0.005 . 2 . . . . 88 Leu CD2 . 17288 1 947 . 1 1 88 88 LEU N N 15 123.550 0.003 . 1 . . . . 88 Leu N . 17288 1 948 . 1 1 89 89 GLU H H 1 10.178 0.002 . 1 . . . . 89 Glu H . 17288 1 949 . 1 1 89 89 GLU HA H 1 4.695 0.009 . 1 . . . . 89 Glu HA . 17288 1 950 . 1 1 89 89 GLU HB2 H 1 2.092 0.008 . 2 . . . . 89 Glu HB2 . 17288 1 951 . 1 1 89 89 GLU HB3 H 1 1.931 0.014 . 2 . . . . 89 Glu HB3 . 17288 1 952 . 1 1 89 89 GLU HG2 H 1 2.254 0.004 . 2 . . . . 89 Glu HG2 . 17288 1 953 . 1 1 89 89 GLU HG3 H 1 2.594 0.004 . 2 . . . . 89 Glu HG3 . 17288 1 954 . 1 1 89 89 GLU C C 13 176.325 0.005 . 1 . . . . 89 Glu C . 17288 1 955 . 1 1 89 89 GLU CA C 13 56.117 0.005 . 1 . . . . 89 Glu CA . 17288 1 956 . 1 1 89 89 GLU CB C 13 29.105 0.005 . 1 . . . . 89 Glu CB . 17288 1 957 . 1 1 89 89 GLU CG C 13 35.581 0.005 . 1 . . . . 89 Glu CG . 17288 1 958 . 1 1 89 89 GLU N N 15 118.774 0.005 . 1 . . . . 89 Glu N . 17288 1 959 . 1 1 90 90 GLN H H 1 8.076 0.008 . 1 . . . . 90 Gln H . 17288 1 960 . 1 1 90 90 GLN HA H 1 4.558 0.004 . 1 . . . . 90 Gln HA . 17288 1 961 . 1 1 90 90 GLN HB2 H 1 2.138 0.013 . 2 . . . . 90 Gln HB2 . 17288 1 962 . 1 1 90 90 GLN HB3 H 1 2.137 0.012 . 2 . . . . 90 Gln HB3 . 17288 1 963 . 1 1 90 90 GLN HG2 H 1 2.449 0.003 . 2 . . . . 90 Gln HG2 . 17288 1 964 . 1 1 90 90 GLN HG3 H 1 2.137 0.012 . 2 . . . . 90 Gln HG3 . 17288 1 965 . 1 1 90 90 GLN HE21 H 1 7.822 0.002 . 1 . . . . 90 Gln HE21 . 17288 1 966 . 1 1 90 90 GLN HE22 H 1 6.790 0.002 . 1 . . . . 90 Gln HE22 . 17288 1 967 . 1 1 90 90 GLN C C 13 172.526 0.005 . 1 . . . . 90 Gln C . 17288 1 968 . 1 1 90 90 GLN CA C 13 55.093 0.005 . 1 . . . . 90 Gln CA . 17288 1 969 . 1 1 90 90 GLN CB C 13 26.591 0.005 . 1 . . . . 90 Gln CB . 17288 1 970 . 1 1 90 90 GLN CG C 13 30.837 0.005 . 1 . . . . 90 Gln CG . 17288 1 971 . 1 1 90 90 GLN N N 15 126.579 0.001 . 1 . . . . 90 Gln N . 17288 1 972 . 1 1 90 90 GLN NE2 N 15 110.471 0.006 . 1 . . . . 90 Gln NE2 . 17288 1 973 . 1 1 91 91 ILE H H 1 8.106 0.002 . 1 . . . . 91 Ile H . 17288 1 974 . 1 1 91 91 ILE HA H 1 5.335 0.003 . 1 . . . . 91 Ile HA . 17288 1 975 . 1 1 91 91 ILE HB H 1 1.442 0.001 . 1 . . . . 91 Ile HB . 17288 1 976 . 1 1 91 91 ILE HG12 H 1 1.313 0.006 . 1 . . . . 91 Ile HG12 . 17288 1 977 . 1 1 91 91 ILE HG13 H 1 1.313 0.006 . 1 . . . . 91 Ile HG13 . 17288 1 978 . 1 1 91 91 ILE HG21 H 1 0.754 0.013 . 1 . . . . 91 Ile HG21 . 17288 1 979 . 1 1 91 91 ILE HG22 H 1 0.754 0.013 . 1 . . . . 91 Ile HG22 . 17288 1 980 . 1 1 91 91 ILE HG23 H 1 0.754 0.013 . 1 . . . . 91 Ile HG23 . 17288 1 981 . 1 1 91 91 ILE HD11 H 1 0.758 0.011 . 1 . . . . 91 Ile HD11 . 17288 1 982 . 1 1 91 91 ILE HD12 H 1 0.758 0.011 . 1 . . . . 91 Ile HD12 . 17288 1 983 . 1 1 91 91 ILE HD13 H 1 0.758 0.011 . 1 . . . . 91 Ile HD13 . 17288 1 984 . 1 1 91 91 ILE C C 13 176.504 0.005 . 1 . . . . 91 Ile C . 17288 1 985 . 1 1 91 91 ILE CA C 13 58.276 0.005 . 1 . . . . 91 Ile CA . 17288 1 986 . 1 1 91 91 ILE CB C 13 41.324 0.005 . 1 . . . . 91 Ile CB . 17288 1 987 . 1 1 91 91 ILE CG1 C 13 26.639 0.014 . 1 . . . . 91 Ile CG1 . 17288 1 988 . 1 1 91 91 ILE CG2 C 13 18.149 0.005 . 1 . . . . 91 Ile CG2 . 17288 1 989 . 1 1 91 91 ILE CD1 C 13 13.600 0.005 . 1 . . . . 91 Ile CD1 . 17288 1 990 . 1 1 91 91 ILE N N 15 118.487 0.005 . 1 . . . . 91 Ile N . 17288 1 991 . 1 1 92 92 ARG H H 1 8.864 0.007 . 1 . . . . 92 Arg H . 17288 1 992 . 1 1 92 92 ARG HA H 1 4.593 0.005 . 1 . . . . 92 Arg HA . 17288 1 993 . 1 1 92 92 ARG HB2 H 1 1.708 0.001 . 2 . . . . 92 Arg HB2 . 17288 1 994 . 1 1 92 92 ARG HB3 H 1 1.863 0.010 . 2 . . . . 92 Arg HB3 . 17288 1 995 . 1 1 92 92 ARG HG2 H 1 1.690 0.003 . 1 . . . . 92 Arg HG2 . 17288 1 996 . 1 1 92 92 ARG HG3 H 1 1.690 0.003 . 1 . . . . 92 Arg HG3 . 17288 1 997 . 1 1 92 92 ARG C C 13 174.587 0.005 . 1 . . . . 92 Arg C . 17288 1 998 . 1 1 92 92 ARG CA C 13 54.775 0.005 . 1 . . . . 92 Arg CA . 17288 1 999 . 1 1 92 92 ARG CB C 13 34.556 0.005 . 1 . . . . 92 Arg CB . 17288 1 1000 . 1 1 92 92 ARG CD C 13 41.398 0.005 . 1 . . . . 92 Arg CD . 17288 1 1001 . 1 1 92 92 ARG N N 15 120.735 0.006 . 1 . . . . 92 Arg N . 17288 1 1002 . 1 1 93 93 THR H H 1 8.225 0.001 . 1 . . . . 93 Thr H . 17288 1 1003 . 1 1 93 93 THR HA H 1 5.111 0.005 . 1 . . . . 93 Thr HA . 17288 1 1004 . 1 1 93 93 THR HB H 1 4.070 0.008 . 1 . . . . 93 Thr HB . 17288 1 1005 . 1 1 93 93 THR HG1 H 1 5.629 0.003 . 1 . . . . 93 Thr HG1 . 17288 1 1006 . 1 1 93 93 THR HG21 H 1 1.278 0.004 . 1 . . . . 93 Thr HG21 . 17288 1 1007 . 1 1 93 93 THR HG22 H 1 1.278 0.004 . 1 . . . . 93 Thr HG22 . 17288 1 1008 . 1 1 93 93 THR HG23 H 1 1.278 0.004 . 1 . . . . 93 Thr HG23 . 17288 1 1009 . 1 1 93 93 THR C C 13 173.709 0.005 . 1 . . . . 93 Thr C . 17288 1 1010 . 1 1 93 93 THR CA C 13 63.472 0.005 . 1 . . . . 93 Thr CA . 17288 1 1011 . 1 1 93 93 THR CB C 13 68.964 0.005 . 1 . . . . 93 Thr CB . 17288 1 1012 . 1 1 93 93 THR CG2 C 13 20.910 0.005 . 1 . . . . 93 Thr CG2 . 17288 1 1013 . 1 1 93 93 THR N N 15 121.324 0.002 . 1 . . . . 93 Thr N . 17288 1 1014 . 1 1 94 94 LEU H H 1 9.281 0.003 . 1 . . . . 94 Leu H . 17288 1 1015 . 1 1 94 94 LEU HA H 1 5.000 0.003 . 1 . . . . 94 Leu HA . 17288 1 1016 . 1 1 94 94 LEU HB2 H 1 1.301 0.003 . 2 . . . . 94 Leu HB2 . 17288 1 1017 . 1 1 94 94 LEU HB3 H 1 1.372 0.003 . 2 . . . . 94 Leu HB3 . 17288 1 1018 . 1 1 94 94 LEU HG H 1 1.450 0.003 . 1 . . . . 94 Leu HG . 17288 1 1019 . 1 1 94 94 LEU HD11 H 1 0.627 0.007 . 2 . . . . 94 Leu HD11 . 17288 1 1020 . 1 1 94 94 LEU HD12 H 1 0.627 0.007 . 2 . . . . 94 Leu HD12 . 17288 1 1021 . 1 1 94 94 LEU HD13 H 1 0.627 0.007 . 2 . . . . 94 Leu HD13 . 17288 1 1022 . 1 1 94 94 LEU HD21 H 1 0.698 0.001 . 2 . . . . 94 Leu HD21 . 17288 1 1023 . 1 1 94 94 LEU HD22 H 1 0.698 0.001 . 2 . . . . 94 Leu HD22 . 17288 1 1024 . 1 1 94 94 LEU HD23 H 1 0.698 0.001 . 2 . . . . 94 Leu HD23 . 17288 1 1025 . 1 1 94 94 LEU C C 13 176.247 0.005 . 1 . . . . 94 Leu C . 17288 1 1026 . 1 1 94 94 LEU CA C 13 51.697 0.005 . 1 . . . . 94 Leu CA . 17288 1 1027 . 1 1 94 94 LEU CB C 13 45.156 0.005 . 1 . . . . 94 Leu CB . 17288 1 1028 . 1 1 94 94 LEU CG C 13 26.626 0.005 . 1 . . . . 94 Leu CG . 17288 1 1029 . 1 1 94 94 LEU N N 15 127.406 0.010 . 1 . . . . 94 Leu N . 17288 1 1030 . 1 1 95 95 ASP H H 1 10.719 0.004 . 1 . . . . 95 Asp H . 17288 1 1031 . 1 1 95 95 ASP HA H 1 4.396 0.002 . 1 . . . . 95 Asp HA . 17288 1 1032 . 1 1 95 95 ASP HB2 H 1 3.803 0.005 . 2 . . . . 95 Asp HB2 . 17288 1 1033 . 1 1 95 95 ASP HB3 H 1 3.805 0.005 . 2 . . . . 95 Asp HB3 . 17288 1 1034 . 1 1 95 95 ASP C C 13 177.608 0.005 . 1 . . . . 95 Asp C . 17288 1 1035 . 1 1 95 95 ASP CA C 13 56.187 0.005 . 1 . . . . 95 Asp CA . 17288 1 1036 . 1 1 95 95 ASP CB C 13 43.938 0.005 . 1 . . . . 95 Asp CB . 17288 1 1037 . 1 1 95 95 ASP N N 15 125.811 0.004 . 1 . . . . 95 Asp N . 17288 1 1038 . 1 1 96 96 LYS H H 1 8.216 0.004 . 1 . . . . 96 Lys H . 17288 1 1039 . 1 1 96 96 LYS HA H 1 3.579 0.004 . 1 . . . . 96 Lys HA . 17288 1 1040 . 1 1 96 96 LYS HB2 H 1 1.857 0.005 . 2 . . . . 96 Lys HB2 . 17288 1 1041 . 1 1 96 96 LYS HB3 H 1 1.695 0.005 . 2 . . . . 96 Lys HB3 . 17288 1 1042 . 1 1 96 96 LYS HG2 H 1 1.647 0.007 . 1 . . . . 96 Lys HG2 . 17288 1 1043 . 1 1 96 96 LYS HG3 H 1 1.647 0.007 . 1 . . . . 96 Lys HG3 . 17288 1 1044 . 1 1 96 96 LYS HD2 H 1 1.424 0.005 . 1 . . . . 96 Lys HD2 . 17288 1 1045 . 1 1 96 96 LYS HD3 H 1 1.424 0.005 . 1 . . . . 96 Lys HD3 . 17288 1 1046 . 1 1 96 96 LYS HE2 H 1 2.973 0.005 . 1 . . . . 96 Lys HE2 . 17288 1 1047 . 1 1 96 96 LYS HE3 H 1 2.973 0.005 . 1 . . . . 96 Lys HE3 . 17288 1 1048 . 1 1 96 96 LYS C C 13 178.183 0.005 . 1 . . . . 96 Lys C . 17288 1 1049 . 1 1 96 96 LYS CA C 13 60.464 0.005 . 1 . . . . 96 Lys CA . 17288 1 1050 . 1 1 96 96 LYS CB C 13 33.299 0.005 . 1 . . . . 96 Lys CB . 17288 1 1051 . 1 1 96 96 LYS CG C 13 28.647 0.005 . 1 . . . . 96 Lys CG . 17288 1 1052 . 1 1 96 96 LYS CD C 13 29.964 0.005 . 1 . . . . 96 Lys CD . 17288 1 1053 . 1 1 96 96 LYS CE C 13 42.100 0.005 . 1 . . . . 96 Lys CE . 17288 1 1054 . 1 1 96 96 LYS N N 15 126.226 0.005 . 1 . . . . 96 Lys N . 17288 1 1055 . 1 1 97 97 LYS H H 1 9.411 0.011 . 1 . . . . 97 Lys H . 17288 1 1056 . 1 1 97 97 LYS HA H 1 4.158 0.005 . 1 . . . . 97 Lys HA . 17288 1 1057 . 1 1 97 97 LYS HB2 H 1 1.836 0.012 . 2 . . . . 97 Lys HB2 . 17288 1 1058 . 1 1 97 97 LYS HB3 H 1 1.836 0.012 . 2 . . . . 97 Lys HB3 . 17288 1 1059 . 1 1 97 97 LYS HG2 H 1 1.482 0.012 . 2 . . . . 97 Lys HG2 . 17288 1 1060 . 1 1 97 97 LYS HG3 H 1 1.483 0.013 . 2 . . . . 97 Lys HG3 . 17288 1 1061 . 1 1 97 97 LYS HD2 H 1 1.671 0.010 . 1 . . . . 97 Lys HD2 . 17288 1 1062 . 1 1 97 97 LYS HD3 H 1 1.671 0.010 . 1 . . . . 97 Lys HD3 . 17288 1 1063 . 1 1 97 97 LYS HE2 H 1 2.964 0.002 . 2 . . . . 97 Lys HE2 . 17288 1 1064 . 1 1 97 97 LYS HE3 H 1 2.964 0.002 . 2 . . . . 97 Lys HE3 . 17288 1 1065 . 1 1 97 97 LYS C C 13 177.813 0.000 . 1 . . . . 97 Lys C . 17288 1 1066 . 1 1 97 97 LYS CA C 13 58.276 0.005 . 1 . . . . 97 Lys CA . 17288 1 1067 . 1 1 97 97 LYS CB C 13 31.275 0.005 . 1 . . . . 97 Lys CB . 17288 1 1068 . 1 1 97 97 LYS CG C 13 25.259 0.005 . 1 . . . . 97 Lys CG . 17288 1 1069 . 1 1 97 97 LYS CD C 13 28.920 0.005 . 1 . . . . 97 Lys CD . 17288 1 1070 . 1 1 97 97 LYS CE C 13 42.148 0.005 . 1 . . . . 97 Lys CE . 17288 1 1071 . 1 1 97 97 LYS N N 15 119.529 0.018 . 1 . . . . 97 Lys N . 17288 1 1072 . 1 1 98 98 ARG H H 1 8.073 0.002 . 1 . . . . 98 Arg H . 17288 1 1073 . 1 1 98 98 ARG HA H 1 4.180 0.009 . 1 . . . . 98 Arg HA . 17288 1 1074 . 1 1 98 98 ARG HB2 H 1 1.757 0.006 . 1 . . . . 98 Arg HB2 . 17288 1 1075 . 1 1 98 98 ARG HB3 H 1 1.757 0.006 . 1 . . . . 98 Arg HB3 . 17288 1 1076 . 1 1 98 98 ARG HG2 H 1 1.357 0.003 . 2 . . . . 98 Arg HG2 . 17288 1 1077 . 1 1 98 98 ARG HG3 H 1 1.683 0.005 . 2 . . . . 98 Arg HG3 . 17288 1 1078 . 1 1 98 98 ARG HD2 H 1 3.089 0.003 . 1 . . . . 98 Arg HD2 . 17288 1 1079 . 1 1 98 98 ARG HD3 H 1 3.089 0.003 . 1 . . . . 98 Arg HD3 . 17288 1 1080 . 1 1 98 98 ARG C C 13 177.445 0.005 . 1 . . . . 98 Arg C . 17288 1 1081 . 1 1 98 98 ARG CA C 13 57.729 0.005 . 1 . . . . 98 Arg CA . 17288 1 1082 . 1 1 98 98 ARG CB C 13 32.252 0.005 . 1 . . . . 98 Arg CB . 17288 1 1083 . 1 1 98 98 ARG CG C 13 27.894 0.005 . 1 . . . . 98 Arg CG . 17288 1 1084 . 1 1 98 98 ARG CD C 13 41.874 0.005 . 1 . . . . 98 Arg CD . 17288 1 1085 . 1 1 98 98 ARG N N 15 116.122 0.001 . 1 . . . . 98 Arg N . 17288 1 1086 . 1 1 99 99 LEU H H 1 7.438 0.002 . 1 . . . . 99 Leu H . 17288 1 1087 . 1 1 99 99 LEU HA H 1 4.135 0.003 . 1 . . . . 99 Leu HA . 17288 1 1088 . 1 1 99 99 LEU HB2 H 1 1.026 0.017 . 2 . . . . 99 Leu HB2 . 17288 1 1089 . 1 1 99 99 LEU HB3 H 1 1.833 0.005 . 2 . . . . 99 Leu HB3 . 17288 1 1090 . 1 1 99 99 LEU HG H 1 1.449 0.004 . 1 . . . . 99 Leu HG . 17288 1 1091 . 1 1 99 99 LEU HD11 H 1 0.262 0.008 . 2 . . . . 99 Leu HD11 . 17288 1 1092 . 1 1 99 99 LEU HD12 H 1 0.262 0.008 . 2 . . . . 99 Leu HD12 . 17288 1 1093 . 1 1 99 99 LEU HD13 H 1 0.262 0.008 . 2 . . . . 99 Leu HD13 . 17288 1 1094 . 1 1 99 99 LEU HD21 H 1 0.251 0.011 . 2 . . . . 99 Leu HD21 . 17288 1 1095 . 1 1 99 99 LEU HD22 H 1 0.251 0.011 . 2 . . . . 99 Leu HD22 . 17288 1 1096 . 1 1 99 99 LEU HD23 H 1 0.251 0.011 . 2 . . . . 99 Leu HD23 . 17288 1 1097 . 1 1 99 99 LEU C C 13 176.517 0.005 . 1 . . . . 99 Leu C . 17288 1 1098 . 1 1 99 99 LEU CA C 13 55.268 0.005 . 1 . . . . 99 Leu CA . 17288 1 1099 . 1 1 99 99 LEU CB C 13 40.230 0.005 . 1 . . . . 99 Leu CB . 17288 1 1100 . 1 1 99 99 LEU CG C 13 26.626 0.005 . 1 . . . . 99 Leu CG . 17288 1 1101 . 1 1 99 99 LEU CD1 C 13 21.704 0.005 . 2 . . . . 99 Leu CD1 . 17288 1 1102 . 1 1 99 99 LEU CD2 C 13 24.712 0.005 . 2 . . . . 99 Leu CD2 . 17288 1 1103 . 1 1 99 99 LEU N N 15 116.730 0.005 . 1 . . . . 99 Leu N . 17288 1 1104 . 1 1 100 100 LYS H H 1 8.987 0.006 . 1 . . . . 100 Lys H . 17288 1 1105 . 1 1 100 100 LYS HA H 1 4.507 0.001 . 1 . . . . 100 Lys HA . 17288 1 1106 . 1 1 100 100 LYS HB2 H 1 1.592 0.005 . 2 . . . . 100 Lys HB2 . 17288 1 1107 . 1 1 100 100 LYS HB3 H 1 1.987 0.005 . 2 . . . . 100 Lys HB3 . 17288 1 1108 . 1 1 100 100 LYS HG2 H 1 1.438 0.004 . 2 . . . . 100 Lys HG2 . 17288 1 1109 . 1 1 100 100 LYS HG3 H 1 1.438 0.003 . 2 . . . . 100 Lys HG3 . 17288 1 1110 . 1 1 100 100 LYS HD2 H 1 1.574 0.007 . 2 . . . . 100 Lys HD2 . 17288 1 1111 . 1 1 100 100 LYS HD3 H 1 1.574 0.007 . 2 . . . . 100 Lys HD3 . 17288 1 1112 . 1 1 100 100 LYS HE2 H 1 2.940 0.017 . 2 . . . . 100 Lys HE2 . 17288 1 1113 . 1 1 100 100 LYS HE3 H 1 2.958 0.005 . 2 . . . . 100 Lys HE3 . 17288 1 1114 . 1 1 100 100 LYS C C 13 176.041 0.005 . 1 . . . . 100 Lys C . 17288 1 1115 . 1 1 100 100 LYS CA C 13 55.367 0.005 . 1 . . . . 100 Lys CA . 17288 1 1116 . 1 1 100 100 LYS CB C 13 32.021 0.005 . 1 . . . . 100 Lys CB . 17288 1 1117 . 1 1 100 100 LYS CG C 13 24.165 0.005 . 1 . . . . 100 Lys CG . 17288 1 1118 . 1 1 100 100 LYS CD C 13 28.647 0.005 . 1 . . . . 100 Lys CD . 17288 1 1119 . 1 1 100 100 LYS N N 15 123.808 0.003 . 1 . . . . 100 Lys N . 17288 1 1120 . 1 1 101 101 GLU H H 1 7.727 0.004 . 1 . . . . 101 Glu H . 17288 1 1121 . 1 1 101 101 GLU HA H 1 4.393 0.005 . 1 . . . . 101 Glu HA . 17288 1 1122 . 1 1 101 101 GLU HB2 H 1 1.956 0.009 . 2 . . . . 101 Glu HB2 . 17288 1 1123 . 1 1 101 101 GLU HB3 H 1 1.931 0.009 . 2 . . . . 101 Glu HB3 . 17288 1 1124 . 1 1 101 101 GLU HG2 H 1 2.162 0.007 . 2 . . . . 101 Glu HG2 . 17288 1 1125 . 1 1 101 101 GLU HG3 H 1 2.113 0.002 . 2 . . . . 101 Glu HG3 . 17288 1 1126 . 1 1 101 101 GLU C C 13 174.547 0.005 . 1 . . . . 101 Glu C . 17288 1 1127 . 1 1 101 101 GLU CA C 13 56.635 0.005 . 1 . . . . 101 Glu CA . 17288 1 1128 . 1 1 101 101 GLU CB C 13 31.821 0.005 . 1 . . . . 101 Glu CB . 17288 1 1129 . 1 1 101 101 GLU CG C 13 36.069 0.003 . 1 . . . . 101 Glu CG . 17288 1 1130 . 1 1 101 101 GLU N N 15 117.036 0.005 . 1 . . . . 101 Glu N . 17288 1 1131 . 1 1 102 102 LYS H H 1 8.690 0.005 . 1 . . . . 102 Lys H . 17288 1 1132 . 1 1 102 102 LYS HA H 1 3.440 0.004 . 1 . . . . 102 Lys HA . 17288 1 1133 . 1 1 102 102 LYS HB2 H 1 1.615 0.003 . 1 . . . . 102 Lys HB2 . 17288 1 1134 . 1 1 102 102 LYS HB3 H 1 1.615 0.003 . 1 . . . . 102 Lys HB3 . 17288 1 1135 . 1 1 102 102 LYS HG2 H 1 0.955 0.002 . 2 . . . . 102 Lys HG2 . 17288 1 1136 . 1 1 102 102 LYS HG3 H 1 1.213 0.005 . 2 . . . . 102 Lys HG3 . 17288 1 1137 . 1 1 102 102 LYS HD2 H 1 0.648 0.004 . 1 . . . . 102 Lys HD2 . 17288 1 1138 . 1 1 102 102 LYS HD3 H 1 0.648 0.004 . 1 . . . . 102 Lys HD3 . 17288 1 1139 . 1 1 102 102 LYS HE2 H 1 2.968 0.005 . 1 . . . . 102 Lys HE2 . 17288 1 1140 . 1 1 102 102 LYS HE3 H 1 2.968 0.005 . 1 . . . . 102 Lys HE3 . 17288 1 1141 . 1 1 102 102 LYS C C 13 176.043 0.005 . 1 . . . . 102 Lys C . 17288 1 1142 . 1 1 102 102 LYS CA C 13 56.619 0.005 . 1 . . . . 102 Lys CA . 17288 1 1143 . 1 1 102 102 LYS CB C 13 32.631 0.005 . 1 . . . . 102 Lys CB . 17288 1 1144 . 1 1 102 102 LYS CG C 13 25.413 0.005 . 1 . . . . 102 Lys CG . 17288 1 1145 . 1 1 102 102 LYS N N 15 125.088 0.003 . 1 . . . . 102 Lys N . 17288 1 1146 . 1 1 103 103 LEU H H 1 9.158 0.005 . 1 . . . . 103 Leu H . 17288 1 1147 . 1 1 103 103 LEU HA H 1 4.380 0.002 . 1 . . . . 103 Leu HA . 17288 1 1148 . 1 1 103 103 LEU HB2 H 1 1.320 0.009 . 2 . . . . 103 Leu HB2 . 17288 1 1149 . 1 1 103 103 LEU HB3 H 1 1.438 0.005 . 2 . . . . 103 Leu HB3 . 17288 1 1150 . 1 1 103 103 LEU HG H 1 1.520 0.003 . 1 . . . . 103 Leu HG . 17288 1 1151 . 1 1 103 103 LEU HD11 H 1 0.764 0.012 . 2 . . . . 103 Leu HD11 . 17288 1 1152 . 1 1 103 103 LEU HD12 H 1 0.764 0.012 . 2 . . . . 103 Leu HD12 . 17288 1 1153 . 1 1 103 103 LEU HD13 H 1 0.764 0.012 . 2 . . . . 103 Leu HD13 . 17288 1 1154 . 1 1 103 103 LEU HD21 H 1 0.751 0.005 . 2 . . . . 103 Leu HD21 . 17288 1 1155 . 1 1 103 103 LEU HD22 H 1 0.751 0.005 . 2 . . . . 103 Leu HD22 . 17288 1 1156 . 1 1 103 103 LEU HD23 H 1 0.751 0.005 . 2 . . . . 103 Leu HD23 . 17288 1 1157 . 1 1 103 103 LEU C C 13 176.738 0.005 . 1 . . . . 103 Leu C . 17288 1 1158 . 1 1 103 103 LEU CA C 13 56.362 0.005 . 1 . . . . 103 Leu CA . 17288 1 1159 . 1 1 103 103 LEU CB C 13 44.062 0.005 . 1 . . . . 103 Leu CB . 17288 1 1160 . 1 1 103 103 LEU CG C 13 26.780 0.005 . 1 . . . . 103 Leu CG . 17288 1 1161 . 1 1 103 103 LEU CD1 C 13 24.985 0.005 . 2 . . . . 103 Leu CD1 . 17288 1 1162 . 1 1 103 103 LEU CD2 C 13 22.524 0.005 . 2 . . . . 103 Leu CD2 . 17288 1 1163 . 1 1 103 103 LEU N N 15 128.029 0.002 . 1 . . . . 103 Leu N . 17288 1 1164 . 1 1 104 104 THR H H 1 7.630 0.005 . 1 . . . . 104 Thr H . 17288 1 1165 . 1 1 104 104 THR HA H 1 4.519 0.002 . 1 . . . . 104 Thr HA . 17288 1 1166 . 1 1 104 104 THR HB H 1 4.520 0.005 . 1 . . . . 104 Thr HB . 17288 1 1167 . 1 1 104 104 THR HG21 H 1 0.972 0.005 . 1 . . . . 104 Thr HG21 . 17288 1 1168 . 1 1 104 104 THR HG22 H 1 0.972 0.005 . 1 . . . . 104 Thr HG22 . 17288 1 1169 . 1 1 104 104 THR HG23 H 1 0.972 0.005 . 1 . . . . 104 Thr HG23 . 17288 1 1170 . 1 1 104 104 THR C C 13 171.095 0.005 . 1 . . . . 104 Thr C . 17288 1 1171 . 1 1 104 104 THR CA C 13 59.832 0.005 . 1 . . . . 104 Thr CA . 17288 1 1172 . 1 1 104 104 THR CB C 13 66.276 0.005 . 1 . . . . 104 Thr CB . 17288 1 1173 . 1 1 104 104 THR CG2 C 13 17.869 0.012 . 1 . . . . 104 Thr CG2 . 17288 1 1174 . 1 1 104 104 THR N N 15 110.159 0.007 . 1 . . . . 104 Thr N . 17288 1 1175 . 1 1 105 105 TYR H H 1 8.625 0.006 . 1 . . . . 105 Tyr H . 17288 1 1176 . 1 1 105 105 TYR HA H 1 5.275 0.004 . 1 . . . . 105 Tyr HA . 17288 1 1177 . 1 1 105 105 TYR HB2 H 1 3.137 0.008 . 2 . . . . 105 Tyr HB2 . 17288 1 1178 . 1 1 105 105 TYR HB3 H 1 3.045 0.004 . 2 . . . . 105 Tyr HB3 . 17288 1 1179 . 1 1 105 105 TYR HD1 H 1 7.001 0.003 . 3 . . . . 105 Tyr HD1 . 17288 1 1180 . 1 1 105 105 TYR HD2 H 1 7.001 0.003 . 3 . . . . 105 Tyr HD2 . 17288 1 1181 . 1 1 105 105 TYR HE1 H 1 6.785 0.001 . 3 . . . . 105 Tyr HE1 . 17288 1 1182 . 1 1 105 105 TYR HE2 H 1 6.785 0.001 . 3 . . . . 105 Tyr HE2 . 17288 1 1183 . 1 1 105 105 TYR C C 13 173.891 0.005 . 1 . . . . 105 Tyr C . 17288 1 1184 . 1 1 105 105 TYR CA C 13 56.187 0.005 . 1 . . . . 105 Tyr CA . 17288 1 1185 . 1 1 105 105 TYR CB C 13 40.935 0.005 . 1 . . . . 105 Tyr CB . 17288 1 1186 . 1 1 105 105 TYR CD1 C 13 134.038 0.005 . 3 . . . . 105 Tyr CD1 . 17288 1 1187 . 1 1 105 105 TYR CD2 C 13 134.038 0.005 . 3 . . . . 105 Tyr CD2 . 17288 1 1188 . 1 1 105 105 TYR CE1 C 13 117.975 0.005 . 3 . . . . 105 Tyr CE1 . 17288 1 1189 . 1 1 105 105 TYR CE2 C 13 117.975 0.005 . 3 . . . . 105 Tyr CE2 . 17288 1 1190 . 1 1 105 105 TYR N N 15 119.127 0.011 . 1 . . . . 105 Tyr N . 17288 1 1191 . 1 1 106 106 LEU H H 1 8.472 0.004 . 1 . . . . 106 Leu H . 17288 1 1192 . 1 1 106 106 LEU HA H 1 4.350 0.004 . 1 . . . . 106 Leu HA . 17288 1 1193 . 1 1 106 106 LEU HB2 H 1 1.047 0.005 . 2 . . . . 106 Leu HB2 . 17288 1 1194 . 1 1 106 106 LEU HB3 H 1 1.825 0.006 . 2 . . . . 106 Leu HB3 . 17288 1 1195 . 1 1 106 106 LEU HG H 1 1.662 0.003 . 1 . . . . 106 Leu HG . 17288 1 1196 . 1 1 106 106 LEU HD11 H 1 0.646 0.010 . 2 . . . . 106 Leu HD11 . 17288 1 1197 . 1 1 106 106 LEU HD12 H 1 0.646 0.010 . 2 . . . . 106 Leu HD12 . 17288 1 1198 . 1 1 106 106 LEU HD13 H 1 0.646 0.010 . 2 . . . . 106 Leu HD13 . 17288 1 1199 . 1 1 106 106 LEU HD21 H 1 0.092 0.003 . 2 . . . . 106 Leu HD21 . 17288 1 1200 . 1 1 106 106 LEU HD22 H 1 0.092 0.003 . 2 . . . . 106 Leu HD22 . 17288 1 1201 . 1 1 106 106 LEU HD23 H 1 0.092 0.003 . 2 . . . . 106 Leu HD23 . 17288 1 1202 . 1 1 106 106 LEU C C 13 176.090 0.005 . 1 . . . . 106 Leu C . 17288 1 1203 . 1 1 106 106 LEU CA C 13 54.448 0.005 . 1 . . . . 106 Leu CA . 17288 1 1204 . 1 1 106 106 LEU CB C 13 42.148 0.005 . 1 . . . . 106 Leu CB . 17288 1 1205 . 1 1 106 106 LEU CG C 13 26.923 0.005 . 1 . . . . 106 Leu CG . 17288 1 1206 . 1 1 106 106 LEU CD1 C 13 26.899 0.005 . 2 . . . . 106 Leu CD1 . 17288 1 1207 . 1 1 106 106 LEU CD2 C 13 22.250 0.005 . 2 . . . . 106 Leu CD2 . 17288 1 1208 . 1 1 106 106 LEU N N 15 121.442 0.007 . 1 . . . . 106 Leu N . 17288 1 1209 . 1 1 107 107 SER H H 1 7.665 0.005 . 1 . . . . 107 Ser H . 17288 1 1210 . 1 1 107 107 SER HA H 1 4.525 0.003 . 1 . . . . 107 Ser HA . 17288 1 1211 . 1 1 107 107 SER HB2 H 1 4.149 0.003 . 2 . . . . 107 Ser HB2 . 17288 1 1212 . 1 1 107 107 SER HB3 H 1 4.376 0.001 . 2 . . . . 107 Ser HB3 . 17288 1 1213 . 1 1 107 107 SER C C 13 174.664 0.005 . 1 . . . . 107 Ser C . 17288 1 1214 . 1 1 107 107 SER CA C 13 57.737 0.005 . 1 . . . . 107 Ser CA . 17288 1 1215 . 1 1 107 107 SER CB C 13 64.563 0.005 . 1 . . . . 107 Ser CB . 17288 1 1216 . 1 1 107 107 SER N N 15 114.782 0.003 . 1 . . . . 107 Ser N . 17288 1 1217 . 1 1 108 108 ASP H H 1 8.818 0.005 . 1 . . . . 108 Asp H . 17288 1 1218 . 1 1 108 108 ASP HA H 1 4.326 0.003 . 1 . . . . 108 Asp HA . 17288 1 1219 . 1 1 108 108 ASP HB2 H 1 2.712 0.002 . 2 . . . . 108 Asp HB2 . 17288 1 1220 . 1 1 108 108 ASP HB3 H 1 2.712 0.002 . 2 . . . . 108 Asp HB3 . 17288 1 1221 . 1 1 108 108 ASP C C 13 178.646 0.005 . 1 . . . . 108 Asp C . 17288 1 1222 . 1 1 108 108 ASP CA C 13 57.729 0.005 . 1 . . . . 108 Asp CA . 17288 1 1223 . 1 1 108 108 ASP CB C 13 40.504 0.005 . 1 . . . . 108 Asp CB . 17288 1 1224 . 1 1 108 108 ASP N N 15 120.971 0.002 . 1 . . . . 108 Asp N . 17288 1 1225 . 1 1 109 109 ASP H H 1 8.632 0.002 . 1 . . . . 109 Asp H . 17288 1 1226 . 1 1 109 109 ASP HA H 1 4.336 0.002 . 1 . . . . 109 Asp HA . 17288 1 1227 . 1 1 109 109 ASP HB2 H 1 2.765 0.004 . 2 . . . . 109 Asp HB2 . 17288 1 1228 . 1 1 109 109 ASP HB3 H 1 2.619 0.007 . 2 . . . . 109 Asp HB3 . 17288 1 1229 . 1 1 109 109 ASP C C 13 178.612 0.005 . 1 . . . . 109 Asp C . 17288 1 1230 . 1 1 109 109 ASP CA C 13 56.909 0.005 . 1 . . . . 109 Asp CA . 17288 1 1231 . 1 1 109 109 ASP CB C 13 39.683 0.005 . 1 . . . . 109 Asp CB . 17288 1 1232 . 1 1 109 109 ASP N N 15 117.816 0.007 . 1 . . . . 109 Asp N . 17288 1 1233 . 1 1 110 110 LYS H H 1 7.704 0.002 . 1 . . . . 110 Lys H . 17288 1 1234 . 1 1 110 110 LYS HA H 1 4.328 0.005 . 1 . . . . 110 Lys HA . 17288 1 1235 . 1 1 110 110 LYS HB2 H 1 1.990 0.005 . 2 . . . . 110 Lys HB2 . 17288 1 1236 . 1 1 110 110 LYS HB3 H 1 1.800 0.005 . 2 . . . . 110 Lys HB3 . 17288 1 1237 . 1 1 110 110 LYS HG2 H 1 1.404 0.001 . 1 . . . . 110 Lys HG2 . 17288 1 1238 . 1 1 110 110 LYS HG3 H 1 1.404 0.001 . 1 . . . . 110 Lys HG3 . 17288 1 1239 . 1 1 110 110 LYS HE2 H 1 3.111 0.005 . 1 . . . . 110 Lys HE2 . 17288 1 1240 . 1 1 110 110 LYS HE3 H 1 3.111 0.005 . 1 . . . . 110 Lys HE3 . 17288 1 1241 . 1 1 110 110 LYS C C 13 179.030 0.005 . 1 . . . . 110 Lys C . 17288 1 1242 . 1 1 110 110 LYS CA C 13 56.158 0.005 . 1 . . . . 110 Lys CA . 17288 1 1243 . 1 1 110 110 LYS CB C 13 29.906 0.005 . 1 . . . . 110 Lys CB . 17288 1 1244 . 1 1 110 110 LYS CG C 13 24.329 0.005 . 1 . . . . 110 Lys CG . 17288 1 1245 . 1 1 110 110 LYS CD C 13 26.344 0.005 . 1 . . . . 110 Lys CD . 17288 1 1246 . 1 1 110 110 LYS N N 15 122.693 0.015 . 1 . . . . 110 Lys N . 17288 1 1247 . 1 1 111 111 MET H H 1 8.501 0.003 . 1 . . . . 111 Met H . 17288 1 1248 . 1 1 111 111 MET HA H 1 4.548 0.008 . 1 . . . . 111 Met HA . 17288 1 1249 . 1 1 111 111 MET HB2 H 1 2.024 0.005 . 2 . . . . 111 Met HB2 . 17288 1 1250 . 1 1 111 111 MET HB3 H 1 2.164 0.005 . 2 . . . . 111 Met HB3 . 17288 1 1251 . 1 1 111 111 MET HG3 H 1 1.960 0.005 . 1 . . . . 111 Met HG3 . 17288 1 1252 . 1 1 111 111 MET C C 13 178.312 0.005 . 1 . . . . 111 Met C . 17288 1 1253 . 1 1 111 111 MET CA C 13 56.072 0.005 . 1 . . . . 111 Met CA . 17288 1 1254 . 1 1 111 111 MET CB C 13 30.211 0.005 . 1 . . . . 111 Met CB . 17288 1 1255 . 1 1 111 111 MET CG C 13 32.469 0.005 . 1 . . . . 111 Met CG . 17288 1 1256 . 1 1 111 111 MET N N 15 118.679 0.002 . 1 . . . . 111 Met N . 17288 1 1257 . 1 1 112 112 LYS H H 1 7.768 0.009 . 1 . . . . 112 Lys H . 17288 1 1258 . 1 1 112 112 LYS HA H 1 4.186 0.006 . 1 . . . . 112 Lys HA . 17288 1 1259 . 1 1 112 112 LYS HB2 H 1 1.964 0.013 . 2 . . . . 112 Lys HB2 . 17288 1 1260 . 1 1 112 112 LYS HB3 H 1 1.953 0.008 . 2 . . . . 112 Lys HB3 . 17288 1 1261 . 1 1 112 112 LYS HG2 H 1 1.666 0.006 . 2 . . . . 112 Lys HG2 . 17288 1 1262 . 1 1 112 112 LYS HG3 H 1 1.507 0.006 . 2 . . . . 112 Lys HG3 . 17288 1 1263 . 1 1 112 112 LYS HD3 H 1 1.730 0.006 . 1 . . . . 112 Lys HD3 . 17288 1 1264 . 1 1 112 112 LYS HE2 H 1 2.994 0.001 . 1 . . . . 112 Lys HE2 . 17288 1 1265 . 1 1 112 112 LYS HE3 H 1 2.994 0.001 . 1 . . . . 112 Lys HE3 . 17288 1 1266 . 1 1 112 112 LYS C C 13 179.766 0.005 . 1 . . . . 112 Lys C . 17288 1 1267 . 1 1 112 112 LYS CA C 13 59.643 0.005 . 1 . . . . 112 Lys CA . 17288 1 1268 . 1 1 112 112 LYS CB C 13 32.095 0.005 . 1 . . . . 112 Lys CB . 17288 1 1269 . 1 1 112 112 LYS CG C 13 25.259 0.005 . 1 . . . . 112 Lys CG . 17288 1 1270 . 1 1 112 112 LYS CD C 13 29.087 0.005 . 1 . . . . 112 Lys CD . 17288 1 1271 . 1 1 112 112 LYS CE C 13 42.148 0.005 . 1 . . . . 112 Lys CE . 17288 1 1272 . 1 1 112 112 LYS N N 15 119.508 0.005 . 1 . . . . 112 Lys N . 17288 1 1273 . 1 1 113 113 GLU H H 1 7.285 0.005 . 1 . . . . 113 Glu H . 17288 1 1274 . 1 1 113 113 GLU HA H 1 4.118 0.008 . 1 . . . . 113 Glu HA . 17288 1 1275 . 1 1 113 113 GLU HB2 H 1 2.480 0.009 . 2 . . . . 113 Glu HB2 . 17288 1 1276 . 1 1 113 113 GLU HB3 H 1 2.212 0.007 . 2 . . . . 113 Glu HB3 . 17288 1 1277 . 1 1 113 113 GLU HG2 H 1 2.253 0.003 . 2 . . . . 113 Glu HG2 . 17288 1 1278 . 1 1 113 113 GLU HG3 H 1 2.594 0.005 . 2 . . . . 113 Glu HG3 . 17288 1 1279 . 1 1 113 113 GLU C C 13 180.513 0.005 . 1 . . . . 113 Glu C . 17288 1 1280 . 1 1 113 113 GLU CA C 13 59.643 0.005 . 1 . . . . 113 Glu CA . 17288 1 1281 . 1 1 113 113 GLU CB C 13 30.454 0.005 . 1 . . . . 113 Glu CB . 17288 1 1282 . 1 1 113 113 GLU CG C 13 36.675 0.005 . 1 . . . . 113 Glu CG . 17288 1 1283 . 1 1 113 113 GLU N N 15 118.654 0.017 . 1 . . . . 113 Glu N . 17288 1 1284 . 1 1 114 114 VAL H H 1 8.051 0.006 . 1 . . . . 114 Val H . 17288 1 1285 . 1 1 114 114 VAL HA H 1 3.401 0.003 . 1 . . . . 114 Val HA . 17288 1 1286 . 1 1 114 114 VAL HB H 1 2.582 0.003 . 1 . . . . 114 Val HB . 17288 1 1287 . 1 1 114 114 VAL HG11 H 1 0.922 0.011 . 2 . . . . 114 Val HG11 . 17288 1 1288 . 1 1 114 114 VAL HG12 H 1 0.922 0.011 . 2 . . . . 114 Val HG12 . 17288 1 1289 . 1 1 114 114 VAL HG13 H 1 0.922 0.011 . 2 . . . . 114 Val HG13 . 17288 1 1290 . 1 1 114 114 VAL HG21 H 1 0.834 0.011 . 2 . . . . 114 Val HG21 . 17288 1 1291 . 1 1 114 114 VAL HG22 H 1 0.834 0.011 . 2 . . . . 114 Val HG22 . 17288 1 1292 . 1 1 114 114 VAL HG23 H 1 0.834 0.011 . 2 . . . . 114 Val HG23 . 17288 1 1293 . 1 1 114 114 VAL C C 13 176.665 0.005 . 1 . . . . 114 Val C . 17288 1 1294 . 1 1 114 114 VAL CA C 13 67.323 0.005 . 1 . . . . 114 Val CA . 17288 1 1295 . 1 1 114 114 VAL CB C 13 31.001 0.005 . 1 . . . . 114 Val CB . 17288 1 1296 . 1 1 114 114 VAL CG1 C 13 24.438 0.005 . 2 . . . . 114 Val CG1 . 17288 1 1297 . 1 1 114 114 VAL CG2 C 13 21.157 0.005 . 2 . . . . 114 Val CG2 . 17288 1 1298 . 1 1 114 114 VAL N N 15 122.788 0.006 . 1 . . . . 114 Val N . 17288 1 1299 . 1 1 115 115 ASP H H 1 8.906 0.003 . 1 . . . . 115 Asp H . 17288 1 1300 . 1 1 115 115 ASP HA H 1 4.178 0.006 . 1 . . . . 115 Asp HA . 17288 1 1301 . 1 1 115 115 ASP HB2 H 1 2.862 0.007 . 2 . . . . 115 Asp HB2 . 17288 1 1302 . 1 1 115 115 ASP HB3 H 1 2.482 0.016 . 2 . . . . 115 Asp HB3 . 17288 1 1303 . 1 1 115 115 ASP C C 13 178.303 0.005 . 1 . . . . 115 Asp C . 17288 1 1304 . 1 1 115 115 ASP CA C 13 58.003 0.005 . 1 . . . . 115 Asp CA . 17288 1 1305 . 1 1 115 115 ASP CB C 13 39.683 0.005 . 1 . . . . 115 Asp CB . 17288 1 1306 . 1 1 115 115 ASP N N 15 122.095 0.009 . 1 . . . . 115 Asp N . 17288 1 1307 . 1 1 116 116 ASN H H 1 7.672 0.003 . 1 . . . . 116 Asn H . 17288 1 1308 . 1 1 116 116 ASN HA H 1 4.359 0.007 . 1 . . . . 116 Asn HA . 17288 1 1309 . 1 1 116 116 ASN HB2 H 1 2.825 0.004 . 2 . . . . 116 Asn HB2 . 17288 1 1310 . 1 1 116 116 ASN HB3 H 1 2.825 0.004 . 2 . . . . 116 Asn HB3 . 17288 1 1311 . 1 1 116 116 ASN HD21 H 1 7.718 0.005 . 1 . . . . 116 Asn HD21 . 17288 1 1312 . 1 1 116 116 ASN HD22 H 1 6.824 0.005 . 1 . . . . 116 Asn HD22 . 17288 1 1313 . 1 1 116 116 ASN C C 13 177.381 0.005 . 1 . . . . 116 Asn C . 17288 1 1314 . 1 1 116 116 ASN CA C 13 56.635 0.005 . 1 . . . . 116 Asn CA . 17288 1 1315 . 1 1 116 116 ASN CB C 13 38.863 0.005 . 1 . . . . 116 Asn CB . 17288 1 1316 . 1 1 116 116 ASN N N 15 117.108 0.008 . 1 . . . . 116 Asn N . 17288 1 1317 . 1 1 116 116 ASN ND2 N 15 112.930 0.007 . 1 . . . . 116 Asn ND2 . 17288 1 1318 . 1 1 117 117 ALA H H 1 7.946 0.003 . 1 . . . . 117 Ala H . 17288 1 1319 . 1 1 117 117 ALA HA H 1 4.134 0.004 . 1 . . . . 117 Ala HA . 17288 1 1320 . 1 1 117 117 ALA HB1 H 1 1.410 0.003 . 1 . . . . 117 Ala HB1 . 17288 1 1321 . 1 1 117 117 ALA HB2 H 1 1.410 0.003 . 1 . . . . 117 Ala HB2 . 17288 1 1322 . 1 1 117 117 ALA HB3 H 1 1.410 0.003 . 1 . . . . 117 Ala HB3 . 17288 1 1323 . 1 1 117 117 ALA C C 13 179.825 0.005 . 1 . . . . 117 Ala C . 17288 1 1324 . 1 1 117 117 ALA CA C 13 54.995 0.005 . 1 . . . . 117 Ala CA . 17288 1 1325 . 1 1 117 117 ALA CB C 13 19.521 0.011 . 1 . . . . 117 Ala CB . 17288 1 1326 . 1 1 117 117 ALA N N 15 121.989 0.013 . 1 . . . . 117 Ala N . 17288 1 1327 . 1 1 118 118 LEU H H 1 8.949 0.005 . 1 . . . . 118 Leu H . 17288 1 1328 . 1 1 118 118 LEU HA H 1 3.946 0.005 . 1 . . . . 118 Leu HA . 17288 1 1329 . 1 1 118 118 LEU HB2 H 1 1.582 0.011 . 2 . . . . 118 Leu HB2 . 17288 1 1330 . 1 1 118 118 LEU HB3 H 1 2.033 0.009 . 2 . . . . 118 Leu HB3 . 17288 1 1331 . 1 1 118 118 LEU HG H 1 1.432 0.004 . 1 . . . . 118 Leu HG . 17288 1 1332 . 1 1 118 118 LEU HD11 H 1 0.919 0.006 . 2 . . . . 118 Leu HD11 . 17288 1 1333 . 1 1 118 118 LEU HD12 H 1 0.919 0.006 . 2 . . . . 118 Leu HD12 . 17288 1 1334 . 1 1 118 118 LEU HD13 H 1 0.919 0.006 . 2 . . . . 118 Leu HD13 . 17288 1 1335 . 1 1 118 118 LEU HD21 H 1 0.771 0.014 . 2 . . . . 118 Leu HD21 . 17288 1 1336 . 1 1 118 118 LEU HD22 H 1 0.771 0.014 . 2 . . . . 118 Leu HD22 . 17288 1 1337 . 1 1 118 118 LEU HD23 H 1 0.771 0.014 . 2 . . . . 118 Leu HD23 . 17288 1 1338 . 1 1 118 118 LEU C C 13 178.493 0.005 . 1 . . . . 118 Leu C . 17288 1 1339 . 1 1 118 118 LEU CA C 13 57.456 0.005 . 1 . . . . 118 Leu CA . 17288 1 1340 . 1 1 118 118 LEU CB C 13 43.241 0.005 . 1 . . . . 118 Leu CB . 17288 1 1341 . 1 1 118 118 LEU CG C 13 25.506 0.005 . 1 . . . . 118 Leu CG . 17288 1 1342 . 1 1 118 118 LEU CD1 C 13 25.259 0.005 . 1 . . . . 118 Leu CD1 . 17288 1 1343 . 1 1 118 118 LEU N N 15 121.417 0.006 . 1 . . . . 118 Leu N . 17288 1 1344 . 1 1 119 119 MET H H 1 8.004 0.004 . 1 . . . . 119 Met H . 17288 1 1345 . 1 1 119 119 MET HA H 1 3.891 0.004 . 1 . . . . 119 Met HA . 17288 1 1346 . 1 1 119 119 MET HB2 H 1 2.382 0.006 . 2 . . . . 119 Met HB2 . 17288 1 1347 . 1 1 119 119 MET HB3 H 1 2.382 0.006 . 2 . . . . 119 Met HB3 . 17288 1 1348 . 1 1 119 119 MET HG2 H 1 2.843 0.007 . 2 . . . . 119 Met HG2 . 17288 1 1349 . 1 1 119 119 MET HG3 H 1 2.474 0.007 . 2 . . . . 119 Met HG3 . 17288 1 1350 . 1 1 119 119 MET HE1 H 1 1.938 0.004 . 1 . . . . 119 Met HE1 . 17288 1 1351 . 1 1 119 119 MET HE2 H 1 1.938 0.004 . 1 . . . . 119 Met HE2 . 17288 1 1352 . 1 1 119 119 MET HE3 H 1 1.938 0.004 . 1 . . . . 119 Met HE3 . 17288 1 1353 . 1 1 119 119 MET C C 13 178.639 0.005 . 1 . . . . 119 Met C . 17288 1 1354 . 1 1 119 119 MET CA C 13 59.370 0.005 . 1 . . . . 119 Met CA . 17288 1 1355 . 1 1 119 119 MET CB C 13 31.821 0.005 . 1 . . . . 119 Met CB . 17288 1 1356 . 1 1 119 119 MET CG C 13 33.462 0.005 . 1 . . . . 119 Met CG . 17288 1 1357 . 1 1 119 119 MET N N 15 117.163 0.005 . 1 . . . . 119 Met N . 17288 1 1358 . 1 1 120 120 ILE H H 1 7.492 0.013 . 1 . . . . 120 Ile H . 17288 1 1359 . 1 1 120 120 ILE HA H 1 3.745 0.006 . 1 . . . . 120 Ile HA . 17288 1 1360 . 1 1 120 120 ILE HB H 1 1.771 0.014 . 1 . . . . 120 Ile HB . 17288 1 1361 . 1 1 120 120 ILE HG12 H 1 1.718 0.004 . 2 . . . . 120 Ile HG12 . 17288 1 1362 . 1 1 120 120 ILE HG13 H 1 1.050 0.004 . 2 . . . . 120 Ile HG13 . 17288 1 1363 . 1 1 120 120 ILE HG21 H 1 0.746 0.007 . 1 . . . . 120 Ile HG21 . 17288 1 1364 . 1 1 120 120 ILE HG22 H 1 0.746 0.007 . 1 . . . . 120 Ile HG22 . 17288 1 1365 . 1 1 120 120 ILE HG23 H 1 0.746 0.007 . 1 . . . . 120 Ile HG23 . 17288 1 1366 . 1 1 120 120 ILE HD11 H 1 0.797 0.006 . 1 . . . . 120 Ile HD11 . 17288 1 1367 . 1 1 120 120 ILE HD12 H 1 0.797 0.006 . 1 . . . . 120 Ile HD12 . 17288 1 1368 . 1 1 120 120 ILE HD13 H 1 0.797 0.006 . 1 . . . . 120 Ile HD13 . 17288 1 1369 . 1 1 120 120 ILE C C 13 180.131 0.005 . 1 . . . . 120 Ile C . 17288 1 1370 . 1 1 120 120 ILE CA C 13 64.577 0.012 . 1 . . . . 120 Ile CA . 17288 1 1371 . 1 1 120 120 ILE CB C 13 38.042 0.005 . 1 . . . . 120 Ile CB . 17288 1 1372 . 1 1 120 120 ILE CG1 C 13 28.813 0.005 . 1 . . . . 120 Ile CG1 . 17288 1 1373 . 1 1 120 120 ILE CG2 C 13 17.172 0.005 . 1 . . . . 120 Ile CG2 . 17288 1 1374 . 1 1 120 120 ILE CD1 C 13 13.344 0.005 . 1 . . . . 120 Ile CD1 . 17288 1 1375 . 1 1 120 120 ILE N N 15 118.019 0.009 . 1 . . . . 120 Ile N . 17288 1 1376 . 1 1 121 121 SER H H 1 8.719 0.007 . 1 . . . . 121 Ser H . 17288 1 1377 . 1 1 121 121 SER HA H 1 3.865 0.006 . 1 . . . . 121 Ser HA . 17288 1 1378 . 1 1 121 121 SER HB2 H 1 3.831 0.003 . 2 . . . . 121 Ser HB2 . 17288 1 1379 . 1 1 121 121 SER HB3 H 1 4.090 0.003 . 2 . . . . 121 Ser HB3 . 17288 1 1380 . 1 1 121 121 SER C C 13 177.277 0.005 . 1 . . . . 121 Ser C . 17288 1 1381 . 1 1 121 121 SER CA C 13 60.464 0.005 . 1 . . . . 121 Ser CA . 17288 1 1382 . 1 1 121 121 SER CB C 13 64.315 0.005 . 1 . . . . 121 Ser CB . 17288 1 1383 . 1 1 121 121 SER N N 15 115.555 0.005 . 1 . . . . 121 Ser N . 17288 1 1384 . 1 1 122 122 LEU H H 1 7.983 0.009 . 1 . . . . 122 Leu H . 17288 1 1385 . 1 1 122 122 LEU HA H 1 4.627 0.004 . 1 . . . . 122 Leu HA . 17288 1 1386 . 1 1 122 122 LEU HB2 H 1 1.640 0.012 . 2 . . . . 122 Leu HB2 . 17288 1 1387 . 1 1 122 122 LEU HB3 H 1 1.661 0.006 . 2 . . . . 122 Leu HB3 . 17288 1 1388 . 1 1 122 122 LEU HG H 1 1.737 0.012 . 1 . . . . 122 Leu HG . 17288 1 1389 . 1 1 122 122 LEU HD11 H 1 0.706 0.015 . 2 . . . . 122 Leu HD11 . 17288 1 1390 . 1 1 122 122 LEU HD12 H 1 0.706 0.015 . 2 . . . . 122 Leu HD12 . 17288 1 1391 . 1 1 122 122 LEU HD13 H 1 0.706 0.015 . 2 . . . . 122 Leu HD13 . 17288 1 1392 . 1 1 122 122 LEU HD21 H 1 0.694 0.009 . 2 . . . . 122 Leu HD21 . 17288 1 1393 . 1 1 122 122 LEU HD22 H 1 0.694 0.009 . 2 . . . . 122 Leu HD22 . 17288 1 1394 . 1 1 122 122 LEU HD23 H 1 0.694 0.009 . 2 . . . . 122 Leu HD23 . 17288 1 1395 . 1 1 122 122 LEU C C 13 175.009 0.005 . 1 . . . . 122 Leu C . 17288 1 1396 . 1 1 122 122 LEU CA C 13 53.664 0.005 . 1 . . . . 122 Leu CA . 17288 1 1397 . 1 1 122 122 LEU CB C 13 41.601 0.005 . 1 . . . . 122 Leu CB . 17288 1 1398 . 1 1 122 122 LEU CG C 13 26.873 0.005 . 1 . . . . 122 Leu CG . 17288 1 1399 . 1 1 122 122 LEU CD1 C 13 23.618 0.005 . 2 . . . . 122 Leu CD1 . 17288 1 1400 . 1 1 122 122 LEU CD2 C 13 25.810 0.010 . 2 . . . . 122 Leu CD2 . 17288 1 1401 . 1 1 122 122 LEU N N 15 114.545 0.005 . 1 . . . . 122 Leu N . 17288 1 1402 . 1 1 123 123 GLY H H 1 7.640 0.004 . 1 . . . . 123 Gly H . 17288 1 1403 . 1 1 123 123 GLY HA2 H 1 3.545 0.006 . 2 . . . . 123 Gly HA2 . 17288 1 1404 . 1 1 123 123 GLY HA3 H 1 3.967 0.008 . 2 . . . . 123 Gly HA3 . 17288 1 1405 . 1 1 123 123 GLY C C 13 174.654 0.005 . 1 . . . . 123 Gly C . 17288 1 1406 . 1 1 123 123 GLY CA C 13 47.070 0.005 . 1 . . . . 123 Gly CA . 17288 1 1407 . 1 1 123 123 GLY N N 15 105.901 0.003 . 1 . . . . 123 Gly N . 17288 1 1408 . 1 1 124 124 LEU H H 1 8.377 0.008 . 1 . . . . 124 Leu H . 17288 1 1409 . 1 1 124 124 LEU HA H 1 4.310 0.002 . 1 . . . . 124 Leu HA . 17288 1 1410 . 1 1 124 124 LEU HB2 H 1 1.529 0.008 . 2 . . . . 124 Leu HB2 . 17288 1 1411 . 1 1 124 124 LEU HB3 H 1 1.526 0.007 . 2 . . . . 124 Leu HB3 . 17288 1 1412 . 1 1 124 124 LEU HG H 1 1.446 0.002 . 1 . . . . 124 Leu HG . 17288 1 1413 . 1 1 124 124 LEU HD11 H 1 0.765 0.010 . 2 . . . . 124 Leu HD11 . 17288 1 1414 . 1 1 124 124 LEU HD12 H 1 0.765 0.010 . 2 . . . . 124 Leu HD12 . 17288 1 1415 . 1 1 124 124 LEU HD13 H 1 0.765 0.010 . 2 . . . . 124 Leu HD13 . 17288 1 1416 . 1 1 124 124 LEU HD21 H 1 0.738 0.001 . 2 . . . . 124 Leu HD21 . 17288 1 1417 . 1 1 124 124 LEU HD22 H 1 0.738 0.001 . 2 . . . . 124 Leu HD22 . 17288 1 1418 . 1 1 124 124 LEU HD23 H 1 0.738 0.001 . 2 . . . . 124 Leu HD23 . 17288 1 1419 . 1 1 124 124 LEU C C 13 176.064 0.005 . 1 . . . . 124 Leu C . 17288 1 1420 . 1 1 124 124 LEU CA C 13 54.174 0.005 . 1 . . . . 124 Leu CA . 17288 1 1421 . 1 1 124 124 LEU CB C 13 43.357 0.005 . 1 . . . . 124 Leu CB . 17288 1 1422 . 1 1 124 124 LEU CG C 13 26.106 0.005 . 1 . . . . 124 Leu CG . 17288 1 1423 . 1 1 124 124 LEU CD1 C 13 22.797 0.005 . 2 . . . . 124 Leu CD1 . 17288 1 1424 . 1 1 124 124 LEU CD2 C 13 26.079 0.005 . 2 . . . . 124 Leu CD2 . 17288 1 1425 . 1 1 124 124 LEU N N 15 117.718 0.001 . 1 . . . . 124 Leu N . 17288 1 1426 . 1 1 125 125 ASN H H 1 8.230 0.002 . 1 . . . . 125 Asn H . 17288 1 1427 . 1 1 125 125 ASN HA H 1 4.589 0.002 . 1 . . . . 125 Asn HA . 17288 1 1428 . 1 1 125 125 ASN HB2 H 1 2.631 0.015 . 2 . . . . 125 Asn HB2 . 17288 1 1429 . 1 1 125 125 ASN HB3 H 1 2.649 0.012 . 2 . . . . 125 Asn HB3 . 17288 1 1430 . 1 1 125 125 ASN HD21 H 1 7.508 0.005 . 1 . . . . 125 Asn HD21 . 17288 1 1431 . 1 1 125 125 ASN HD22 H 1 6.789 0.003 . 1 . . . . 125 Asn HD22 . 17288 1 1432 . 1 1 125 125 ASN C C 13 174.498 0.005 . 1 . . . . 125 Asn C . 17288 1 1433 . 1 1 125 125 ASN CA C 13 53.064 0.005 . 1 . . . . 125 Asn CA . 17288 1 1434 . 1 1 125 125 ASN CB C 13 39.136 0.005 . 1 . . . . 125 Asn CB . 17288 1 1435 . 1 1 125 125 ASN N N 15 117.776 0.003 . 1 . . . . 125 Asn N . 17288 1 1436 . 1 1 125 125 ASN ND2 N 15 112.803 0.007 . 1 . . . . 125 Asn ND2 . 17288 1 1437 . 1 1 126 126 ALA H H 1 8.147 0.002 . 1 . . . . 126 Ala H . 17288 1 1438 . 1 1 126 126 ALA HA H 1 4.270 0.012 . 1 . . . . 126 Ala HA . 17288 1 1439 . 1 1 126 126 ALA HB1 H 1 1.322 0.007 . 1 . . . . 126 Ala HB1 . 17288 1 1440 . 1 1 126 126 ALA HB2 H 1 1.322 0.007 . 1 . . . . 126 Ala HB2 . 17288 1 1441 . 1 1 126 126 ALA HB3 H 1 1.322 0.007 . 1 . . . . 126 Ala HB3 . 17288 1 1442 . 1 1 126 126 ALA C C 13 177.601 0.005 . 1 . . . . 126 Ala C . 17288 1 1443 . 1 1 126 126 ALA CA C 13 52.517 0.005 . 1 . . . . 126 Ala CA . 17288 1 1444 . 1 1 126 126 ALA CB C 13 19.246 0.009 . 1 . . . . 126 Ala CB . 17288 1 1445 . 1 1 126 126 ALA N N 15 124.069 0.002 . 1 . . . . 126 Ala N . 17288 1 1446 . 1 1 127 127 VAL H H 1 7.906 0.005 . 1 . . . . 127 Val H . 17288 1 1447 . 1 1 127 127 VAL HA H 1 4.016 0.001 . 1 . . . . 127 Val HA . 17288 1 1448 . 1 1 127 127 VAL HB H 1 2.009 0.004 . 1 . . . . 127 Val HB . 17288 1 1449 . 1 1 127 127 VAL HG11 H 1 0.862 0.005 . 1 . . . . 127 Val HG11 . 17288 1 1450 . 1 1 127 127 VAL HG12 H 1 0.862 0.005 . 1 . . . . 127 Val HG12 . 17288 1 1451 . 1 1 127 127 VAL HG13 H 1 0.862 0.005 . 1 . . . . 127 Val HG13 . 17288 1 1452 . 1 1 127 127 VAL HG21 H 1 0.862 0.005 . 1 . . . . 127 Val HG21 . 17288 1 1453 . 1 1 127 127 VAL HG22 H 1 0.862 0.005 . 1 . . . . 127 Val HG22 . 17288 1 1454 . 1 1 127 127 VAL HG23 H 1 0.862 0.005 . 1 . . . . 127 Val HG23 . 17288 1 1455 . 1 1 127 127 VAL C C 13 175.907 0.005 . 1 . . . . 127 Val C . 17288 1 1456 . 1 1 127 127 VAL CA C 13 62.378 0.005 . 1 . . . . 127 Val CA . 17288 1 1457 . 1 1 127 127 VAL CB C 13 32.642 0.005 . 1 . . . . 127 Val CB . 17288 1 1458 . 1 1 127 127 VAL CG1 C 13 21.157 0.005 . 1 . . . . 127 Val CG1 . 17288 1 1459 . 1 1 127 127 VAL CG2 C 13 21.157 0.005 . 1 . . . . 127 Val CG2 . 17288 1 1460 . 1 1 127 127 VAL N N 15 118.388 0.007 . 1 . . . . 127 Val N . 17288 1 1461 . 1 1 128 128 ALA H H 1 8.130 0.008 . 1 . . . . 128 Ala H . 17288 1 1462 . 1 1 128 128 ALA HA H 1 4.259 0.003 . 1 . . . . 128 Ala HA . 17288 1 1463 . 1 1 128 128 ALA HB1 H 1 1.291 0.005 . 1 . . . . 128 Ala HB1 . 17288 1 1464 . 1 1 128 128 ALA HB2 H 1 1.291 0.005 . 1 . . . . 128 Ala HB2 . 17288 1 1465 . 1 1 128 128 ALA HB3 H 1 1.291 0.005 . 1 . . . . 128 Ala HB3 . 17288 1 1466 . 1 1 128 128 ALA C C 13 177.342 0.005 . 1 . . . . 128 Ala C . 17288 1 1467 . 1 1 128 128 ALA CA C 13 52.517 0.005 . 1 . . . . 128 Ala CA . 17288 1 1468 . 1 1 128 128 ALA CB C 13 19.247 0.010 . 1 . . . . 128 Ala CB . 17288 1 1469 . 1 1 128 128 ALA N N 15 126.580 0.004 . 1 . . . . 128 Ala N . 17288 1 1470 . 1 1 129 129 HIS H H 1 8.145 0.005 . 1 . . . . 129 His H . 17288 1 1471 . 1 1 129 129 HIS HA H 1 4.590 0.003 . 1 . . . . 129 His HA . 17288 1 1472 . 1 1 129 129 HIS HB2 H 1 3.050 0.007 . 1 . . . . 129 His HB2 . 17288 1 1473 . 1 1 129 129 HIS HB3 H 1 3.050 0.007 . 1 . . . . 129 His HB3 . 17288 1 1474 . 1 1 129 129 HIS HD2 H 1 6.993 0.005 . 1 . . . . 129 His HD2 . 17288 1 1475 . 1 1 129 129 HIS C C 13 174.951 0.005 . 1 . . . . 129 His C . 17288 1 1476 . 1 1 129 129 HIS CA C 13 55.798 0.005 . 1 . . . . 129 His CA . 17288 1 1477 . 1 1 129 129 HIS CB C 13 30.472 0.005 . 1 . . . . 129 His CB . 17288 1 1478 . 1 1 129 129 HIS N N 15 118.216 0.005 . 1 . . . . 129 His N . 17288 1 1479 . 1 1 130 130 GLN H H 1 8.232 0.005 . 1 . . . . 130 Gln H . 17288 1 1480 . 1 1 130 130 GLN HA H 1 4.291 0.002 . 1 . . . . 130 Gln HA . 17288 1 1481 . 1 1 130 130 GLN HB2 H 1 2.052 0.003 . 2 . . . . 130 Gln HB2 . 17288 1 1482 . 1 1 130 130 GLN HB3 H 1 1.934 0.001 . 2 . . . . 130 Gln HB3 . 17288 1 1483 . 1 1 130 130 GLN HG2 H 1 2.297 0.004 . 2 . . . . 130 Gln HG2 . 17288 1 1484 . 1 1 130 130 GLN HG3 H 1 2.297 0.004 . 2 . . . . 130 Gln HG3 . 17288 1 1485 . 1 1 130 130 GLN HE21 H 1 7.489 0.004 . 1 . . . . 130 Gln HE21 . 17288 1 1486 . 1 1 130 130 GLN HE22 H 1 6.789 0.006 . 1 . . . . 130 Gln HE22 . 17288 1 1487 . 1 1 130 130 GLN C C 13 175.449 0.005 . 1 . . . . 130 Gln C . 17288 1 1488 . 1 1 130 130 GLN CA C 13 55.798 0.005 . 1 . . . . 130 Gln CA . 17288 1 1489 . 1 1 130 130 GLN CB C 13 29.634 0.005 . 1 . . . . 130 Gln CB . 17288 1 1490 . 1 1 130 130 GLN CG C 13 33.714 0.005 . 1 . . . . 130 Gln CG . 17288 1 1491 . 1 1 130 130 GLN N N 15 121.756 0.005 . 1 . . . . 130 Gln N . 17288 1 1492 . 1 1 130 130 GLN NE2 N 15 112.192 0.017 . 1 . . . . 130 Gln NE2 . 17288 1 1493 . 1 1 131 131 LYS H H 1 8.334 0.004 . 1 . . . . 131 Lys H . 17288 1 1494 . 1 1 131 131 LYS HA H 1 4.311 0.004 . 1 . . . . 131 Lys HA . 17288 1 1495 . 1 1 131 131 LYS HB2 H 1 1.820 0.009 . 2 . . . . 131 Lys HB2 . 17288 1 1496 . 1 1 131 131 LYS HB3 H 1 1.712 0.001 . 2 . . . . 131 Lys HB3 . 17288 1 1497 . 1 1 131 131 LYS HG2 H 1 1.399 0.004 . 1 . . . . 131 Lys HG2 . 17288 1 1498 . 1 1 131 131 LYS HG3 H 1 1.399 0.004 . 1 . . . . 131 Lys HG3 . 17288 1 1499 . 1 1 131 131 LYS HD2 H 1 1.649 0.010 . 1 . . . . 131 Lys HD2 . 17288 1 1500 . 1 1 131 131 LYS HD3 H 1 1.649 0.010 . 1 . . . . 131 Lys HD3 . 17288 1 1501 . 1 1 131 131 LYS HE2 H 1 2.940 0.009 . 1 . . . . 131 Lys HE2 . 17288 1 1502 . 1 1 131 131 LYS HE3 H 1 2.940 0.009 . 1 . . . . 131 Lys HE3 . 17288 1 1503 . 1 1 131 131 LYS C C 13 175.287 0.005 . 1 . . . . 131 Lys C . 17288 1 1504 . 1 1 131 131 LYS CA C 13 56.345 0.005 . 1 . . . . 131 Lys CA . 17288 1 1505 . 1 1 131 131 LYS CB C 13 33.189 0.005 . 1 . . . . 131 Lys CB . 17288 1 1506 . 1 1 131 131 LYS CG C 13 25.000 0.005 . 1 . . . . 131 Lys CG . 17288 1 1507 . 1 1 131 131 LYS CD C 13 28.813 0.005 . 1 . . . . 131 Lys CD . 17288 1 1508 . 1 1 131 131 LYS CE C 13 42.148 0.005 . 1 . . . . 131 Lys CE . 17288 1 1509 . 1 1 131 131 LYS N N 15 123.309 0.005 . 1 . . . . 131 Lys N . 17288 1 1510 . 1 1 132 132 ASN H H 1 8.013 0.001 . 1 . . . . 132 Asn H . 17288 1 1511 . 1 1 132 132 ASN HA H 1 4.450 0.005 . 1 . . . . 132 Asn HA . 17288 1 1512 . 1 1 132 132 ASN HB2 H 1 2.638 0.005 . 2 . . . . 132 Asn HB2 . 17288 1 1513 . 1 1 132 132 ASN HB3 H 1 2.640 0.002 . 2 . . . . 132 Asn HB3 . 17288 1 1514 . 1 1 132 132 ASN HD21 H 1 7.437 0.005 . 1 . . . . 132 Asn HD21 . 17288 1 1515 . 1 1 132 132 ASN HD22 H 1 6.752 0.007 . 1 . . . . 132 Asn HD22 . 17288 1 1516 . 1 1 132 132 ASN C C 13 179.386 0.005 . 1 . . . . 132 Asn C . 17288 1 1517 . 1 1 132 132 ASN CA C 13 54.799 0.005 . 1 . . . . 132 Asn CA . 17288 1 1518 . 1 1 132 132 ASN CB C 13 40.494 0.009 . 1 . . . . 132 Asn CB . 17288 1 1519 . 1 1 132 132 ASN N N 15 125.753 0.009 . 1 . . . . 132 Asn N . 17288 1 1520 . 1 1 132 132 ASN ND2 N 15 112.377 0.002 . 1 . . . . 132 Asn ND2 . 17288 1 stop_ save_