data_16954 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16954 _Entry.Title ; Structure of the AML1-ETO Nervy Domain - PKA(RIIa) complex and its contribution to AML1-ETO activity ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-25 _Entry.Accession_date 2010-05-25 _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 Takeshi Corpora . A. . 16954 2 Tomasz Cierpecki . . . 16954 3 John Bushweller . . . 16954 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Bushweller Group, University of Virginia' . 16954 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16954 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 470 16954 '15N chemical shifts' 134 16954 '1H chemical shifts' 897 16954 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 . . 2010-09-29 2010-05-25 update BMRB 'update entry citation' 16954 1 . . 2010-08-19 2010-05-25 original author 'original release' 16954 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KYG 'BMRB Entry Tracking System' 16954 stop_ save_ ############### # Citations # ############### save_Nervy_entry_citation1 _Citation.Sf_category citations _Citation.Sf_framecode Nervy_entry_citation1 _Citation.Entry_ID 16954 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20708017 _Citation.Full_citation . _Citation.Title 'Structure of the AML1-ETO NHR3-PKA(RII) Complex and Its Contribution to AML1-ETO Activity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 402 _Citation.Journal_issue 3 _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 560 _Citation.Page_last 577 _Citation.Year 2010 _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 Takeshi Corpora . . . 16954 1 2 Liya Roudaia . . . 16954 1 3 'Zaw Min' Oo . . . 16954 1 4 Wei Chen . . . 16954 1 5 Ekaterina Manuylova . . . 16954 1 6 Xiongwei Cai . . . 16954 1 7 Michael Chen . J. . 16954 1 8 Tomasz Cierpicki . . . 16954 1 9 Nancy Speck . A. . 16954 1 10 John Bushweller . H. . 16954 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16954 _Assembly.ID 1 _Assembly.Name 'NHR3/PKA(RIIa) Complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 15427.71 _Assembly.Enzyme_commission_number . _Assembly.Details 'PKA(RIIa) forms a homodimer which interacts with the NHR3 monomer.' _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 'PKA(RIIa) 1' 1 $PKA(RIIa) A . yes native no no . . . 16954 1 2 'PKA(RIIa) 2' 1 $PKA(RIIa) B . yes native no no . . . 16954 1 3 NHR3 2 $NHR3 C . yes native no no . . . 16954 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PKA(RIIa) _Entity.Sf_category entity _Entity.Sf_framecode PKA(RIIa) _Entity.Entry_ID 16954 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PKA(RIIa) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGSMSHIQIPPGLTELLQ GYTVEVLRQQPPDLVEFAVE YFTRLREARA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'GAMGSMS is a vector artifact from the pHis-Parallel2 expression vector.' _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 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5621.476 _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 2HWN . "Crystal Structure Of Rii Alpha DimerizationDOCKING DOMAIN OF PKA Bound To The D-Akap2 Peptide" . . . . . 88.00 45 97.73 100.00 1.24e-21 . . . . 16954 1 2 no PDB 2IZX . "Molecular Basis Of Akap Specificity For Pka Regulatory Subunits" . . . . . 82.00 41 100.00 100.00 3.96e-19 . . . . 16954 1 3 no PDB 2KYG . "Structure Of The Aml1-Eto Nervy Domain - Pka(Riia) Complex And Its Contribution To Aml1-Eto Activity" . . . . . 100.00 50 100.00 100.00 1.00e-26 . . . . 16954 1 4 no DBJ BAF85731 . "unnamed protein product [Homo sapiens]" . . . . . 90.00 404 100.00 100.00 1.92e-21 . . . . 16954 1 5 no DBJ BAG73608 . "protein kinase, cAMP-dependent, regulatory, type II alpha [synthetic construct]" . . . . . 90.00 404 100.00 100.00 1.98e-21 . . . . 16954 1 6 no DBJ BAK63879 . "cAMP-dependent protein kinase type II-alpha regulatory subunit [Pan troglodytes]" . . . . . 90.00 404 100.00 100.00 2.09e-21 . . . . 16954 1 7 no EMBL CAA33094 . "unnamed protein product [Homo sapiens]" . . . . . 90.00 404 100.00 100.00 1.98e-21 . . . . 16954 1 8 no EMBL CAA67817 . "cAMP-dependent protein kinase [Homo sapiens]" . . . . . 90.00 87 100.00 100.00 1.63e-22 . . . . 16954 1 9 no GB AAH02763 . "PRKAR2A protein [Homo sapiens]" . . . . . 90.00 382 100.00 100.00 1.82e-21 . . . . 16954 1 10 no GB AAM97689 . "cAMP-dependent protein kinase type II-alpha regulatory chain [Rattus norvegicus]" . . . . . 88.00 401 97.73 100.00 1.36e-20 . . . . 16954 1 11 no GB AAP35889 . "protein kinase, cAMP-dependent, regulatory, type II, alpha [Homo sapiens]" . . . . . 90.00 382 100.00 100.00 1.82e-21 . . . . 16954 1 12 no GB AAP36931 . "Homo sapiens protein kinase, cAMP-dependent, regulatory, type II, alpha [synthetic construct]" . . . . . 90.00 383 100.00 100.00 1.95e-21 . . . . 16954 1 13 no GB AAX29035 . "protein kinase cAMP-dependent regulatory type II, alpha, partial [synthetic construct]" . . . . . 90.00 383 100.00 100.00 1.95e-21 . . . . 16954 1 14 no PRF 1506340A . "cAMP dependent protein kinase RIIalpha" . . . . . 90.00 404 100.00 100.00 1.98e-21 . . . . 16954 1 15 no REF NP_001266877 . "cAMP-dependent protein kinase type II-alpha regulatory subunit [Pan troglodytes]" . . . . . 90.00 404 100.00 100.00 2.09e-21 . . . . 16954 1 16 no REF NP_004148 . "cAMP-dependent protein kinase type II-alpha regulatory subunit [Homo sapiens]" . . . . . 90.00 404 100.00 100.00 1.98e-21 . . . . 16954 1 17 no REF NP_062137 . "cAMP-dependent protein kinase type II-alpha regulatory subunit [Rattus norvegicus]" . . . . . 88.00 401 97.73 100.00 1.36e-20 . . . . 16954 1 18 no REF XP_003894514 . "PREDICTED: cAMP-dependent protein kinase type II-alpha regulatory subunit-like isoform X1 [Papio anubis]" . . . . . 90.00 105 97.78 100.00 2.44e-22 . . . . 16954 1 19 no REF XP_005075011 . "PREDICTED: cAMP-dependent protein kinase type II-alpha regulatory subunit [Mesocricetus auratus]" . . . . . 90.00 402 97.78 100.00 2.24e-21 . . . . 16954 1 20 no SP P12368 . "RecName: Full=cAMP-dependent protein kinase type II-alpha regulatory subunit" . . . . . 88.00 401 97.73 100.00 1.36e-20 . . . . 16954 1 21 no SP P13861 . "RecName: Full=cAMP-dependent protein kinase type II-alpha regulatory subunit" . . . . . 90.00 404 100.00 100.00 1.98e-21 . . . . 16954 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Regulatory domain of type II protein kinase-A (PKA(RIIa). Recognizes and regulates the binding to different members of the A-kinase anchoring protein (AKAP) family for phosphorylation of targets.' 16954 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 . 16954 1 2 . ALA . 16954 1 3 . MET . 16954 1 4 . GLY . 16954 1 5 . SER . 16954 1 6 . MET . 16954 1 7 . SER . 16954 1 8 . HIS . 16954 1 9 . ILE . 16954 1 10 . GLN . 16954 1 11 . ILE . 16954 1 12 . PRO . 16954 1 13 . PRO . 16954 1 14 . GLY . 16954 1 15 . LEU . 16954 1 16 . THR . 16954 1 17 . GLU . 16954 1 18 . LEU . 16954 1 19 . LEU . 16954 1 20 . GLN . 16954 1 21 . GLY . 16954 1 22 . TYR . 16954 1 23 . THR . 16954 1 24 . VAL . 16954 1 25 . GLU . 16954 1 26 . VAL . 16954 1 27 . LEU . 16954 1 28 . ARG . 16954 1 29 . GLN . 16954 1 30 . GLN . 16954 1 31 . PRO . 16954 1 32 . PRO . 16954 1 33 . ASP . 16954 1 34 . LEU . 16954 1 35 . VAL . 16954 1 36 . GLU . 16954 1 37 . PHE . 16954 1 38 . ALA . 16954 1 39 . VAL . 16954 1 40 . GLU . 16954 1 41 . TYR . 16954 1 42 . PHE . 16954 1 43 . THR . 16954 1 44 . ARG . 16954 1 45 . LEU . 16954 1 46 . ARG . 16954 1 47 . GLU . 16954 1 48 . ALA . 16954 1 49 . ARG . 16954 1 50 . ALA . 16954 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 16954 1 . ALA 2 2 16954 1 . MET 3 3 16954 1 . GLY 4 4 16954 1 . SER 5 5 16954 1 . MET 6 6 16954 1 . SER 7 7 16954 1 . HIS 8 8 16954 1 . ILE 9 9 16954 1 . GLN 10 10 16954 1 . ILE 11 11 16954 1 . PRO 12 12 16954 1 . PRO 13 13 16954 1 . GLY 14 14 16954 1 . LEU 15 15 16954 1 . THR 16 16 16954 1 . GLU 17 17 16954 1 . LEU 18 18 16954 1 . LEU 19 19 16954 1 . GLN 20 20 16954 1 . GLY 21 21 16954 1 . TYR 22 22 16954 1 . THR 23 23 16954 1 . VAL 24 24 16954 1 . GLU 25 25 16954 1 . VAL 26 26 16954 1 . LEU 27 27 16954 1 . ARG 28 28 16954 1 . GLN 29 29 16954 1 . GLN 30 30 16954 1 . PRO 31 31 16954 1 . PRO 32 32 16954 1 . ASP 33 33 16954 1 . LEU 34 34 16954 1 . VAL 35 35 16954 1 . GLU 36 36 16954 1 . PHE 37 37 16954 1 . ALA 38 38 16954 1 . VAL 39 39 16954 1 . GLU 40 40 16954 1 . TYR 41 41 16954 1 . PHE 42 42 16954 1 . THR 43 43 16954 1 . ARG 44 44 16954 1 . LEU 45 45 16954 1 . ARG 46 46 16954 1 . GLU 47 47 16954 1 . ALA 48 48 16954 1 . ARG 49 49 16954 1 . ALA 50 50 16954 1 stop_ save_ save_NHR3 _Entity.Sf_category entity _Entity.Sf_framecode NHR3 _Entity.Entry_ID 16954 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NHR3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AMADIGSASGYVPEEIWKKA EEAVNEVKRQAMTELQKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'AMADIGS is a vector artifact from the pET-32a expression vector.' _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 38 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4184.758 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 2KYG . "Structure Of The Aml1-Eto Nervy Domain - Pka(Riia) Complex And Its Contribution To Aml1-Eto Activity" . . . . . 100.00 38 100.00 100.00 5.25e-17 . . . . 16954 2 2 no DBJ BAA03089 . "AML1-MTG8 fusion protein [Homo sapiens]" . . . . . 81.58 752 100.00 100.00 3.71e-10 . . . . 16954 2 3 no DBJ BAA03247 . "MTG8 protein [Homo sapiens]" . . . . . 81.58 567 100.00 100.00 6.75e-10 . . . . 16954 2 4 no DBJ BAA03558 . "MTG8b protein [Homo sapiens]" . . . . . 81.58 604 100.00 100.00 5.68e-10 . . . . 16954 2 5 no DBJ BAA06774 . "Cbfa2t1h [Mus musculus]" . . . . . 81.58 577 100.00 100.00 5.42e-10 . . . . 16954 2 6 no DBJ BAA07755 . "MTG8a protein [Homo sapiens]" . . . . . 81.58 577 100.00 100.00 6.91e-10 . . . . 16954 2 7 no EMBL CAA56311 . "ETO [Homo sapiens]" . . . . . 81.58 574 100.00 100.00 7.30e-10 . . . . 16954 2 8 no EMBL CAG33073 . "CBFA2T1 [Homo sapiens]" . . . . . 81.58 577 100.00 100.00 6.91e-10 . . . . 16954 2 9 no GB AAB34819 . "AMLI-ETO fusion protein, partial [Homo sapiens]" . . . . . 81.58 588 100.00 100.00 7.44e-10 . . . . 16954 2 10 no GB AAC28931 . "putative transcription factor [Homo sapiens]" . . . . . 81.58 577 100.00 100.00 6.91e-10 . . . . 16954 2 11 no GB AAC28932 . "putative transcription factor [Homo sapiens]" . . . . . 81.58 604 100.00 100.00 5.68e-10 . . . . 16954 2 12 no GB AAH05850 . "Runt-related transcription factor 1; translocated to, 1 (cyclin D-related) [Homo sapiens]" . . . . . 81.58 567 100.00 100.00 6.75e-10 . . . . 16954 2 13 no GB AAH67078 . "Runt-related transcription factor 1; translocated to, 1 (cyclin D-related) [Homo sapiens]" . . . . . 81.58 567 100.00 100.00 6.75e-10 . . . . 16954 2 14 no REF NP_001102127 . "protein CBFA2T1 [Rattus norvegicus]" . . . . . 81.58 577 100.00 100.00 7.40e-10 . . . . 16954 2 15 no REF NP_001104496 . "protein CBFA2T1 isoform 2 [Mus musculus]" . . . . . 81.58 584 100.00 100.00 5.37e-10 . . . . 16954 2 16 no REF NP_001104497 . "protein CBFA2T1 isoform 1 [Mus musculus]" . . . . . 81.58 604 100.00 100.00 5.52e-10 . . . . 16954 2 17 no REF NP_001185554 . "protein CBFA2T1 isoform A [Homo sapiens]" . . . . . 81.58 577 100.00 100.00 6.91e-10 . . . . 16954 2 18 no REF NP_001185555 . "protein CBFA2T1 isoform B [Homo sapiens]" . . . . . 81.58 604 100.00 100.00 5.68e-10 . . . . 16954 2 19 no SP Q06455 . "RecName: Full=Protein CBFA2T1; AltName: Full=Cyclin-D-related protein; AltName: Full=Eight twenty one protein; AltName: Full=Pr" . . . . . 81.58 604 100.00 100.00 5.68e-10 . . . . 16954 2 20 no SP Q61909 . "RecName: Full=Protein CBFA2T1; AltName: Full=Protein MTG8 [Mus musculus]" . . . . . 81.58 577 100.00 100.00 5.42e-10 . . . . 16954 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Nervy homology region 3 acts as an A-kinase anchoring protein (AKAP), and recruits type II protein kinase-A (PKA(RIIa)).' 16954 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 16954 2 2 . MET . 16954 2 3 . ALA . 16954 2 4 . ASP . 16954 2 5 . ILE . 16954 2 6 . GLY . 16954 2 7 . SER . 16954 2 8 . ALA . 16954 2 9 . SER . 16954 2 10 . GLY . 16954 2 11 . TYR . 16954 2 12 . VAL . 16954 2 13 . PRO . 16954 2 14 . GLU . 16954 2 15 . GLU . 16954 2 16 . ILE . 16954 2 17 . TRP . 16954 2 18 . LYS . 16954 2 19 . LYS . 16954 2 20 . ALA . 16954 2 21 . GLU . 16954 2 22 . GLU . 16954 2 23 . ALA . 16954 2 24 . VAL . 16954 2 25 . ASN . 16954 2 26 . GLU . 16954 2 27 . VAL . 16954 2 28 . LYS . 16954 2 29 . ARG . 16954 2 30 . GLN . 16954 2 31 . ALA . 16954 2 32 . MET . 16954 2 33 . THR . 16954 2 34 . GLU . 16954 2 35 . LEU . 16954 2 36 . GLN . 16954 2 37 . LYS . 16954 2 38 . ALA . 16954 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 16954 2 . MET 2 2 16954 2 . ALA 3 3 16954 2 . ASP 4 4 16954 2 . ILE 5 5 16954 2 . GLY 6 6 16954 2 . SER 7 7 16954 2 . ALA 8 8 16954 2 . SER 9 9 16954 2 . GLY 10 10 16954 2 . TYR 11 11 16954 2 . VAL 12 12 16954 2 . PRO 13 13 16954 2 . GLU 14 14 16954 2 . GLU 15 15 16954 2 . ILE 16 16 16954 2 . TRP 17 17 16954 2 . LYS 18 18 16954 2 . LYS 19 19 16954 2 . ALA 20 20 16954 2 . GLU 21 21 16954 2 . GLU 22 22 16954 2 . ALA 23 23 16954 2 . VAL 24 24 16954 2 . ASN 25 25 16954 2 . GLU 26 26 16954 2 . VAL 27 27 16954 2 . LYS 28 28 16954 2 . ARG 29 29 16954 2 . GLN 30 30 16954 2 . ALA 31 31 16954 2 . MET 32 32 16954 2 . THR 33 33 16954 2 . GLU 34 34 16954 2 . LEU 35 35 16954 2 . GLN 36 36 16954 2 . LYS 37 37 16954 2 . ALA 38 38 16954 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16954 _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 $PKA(RIIa) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16954 1 2 2 $NHR3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16954 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 16954 _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 $PKA(RIIa) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pHis Parallel 2' . . . . . . 16954 1 2 2 $NHR3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-32a . . . . . . 16954 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) _Sample.Sf_category sample _Sample.Sf_framecode CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) _Sample.Entry_ID 16954 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM NaPi pH=4.0 1 mM EDTA temp=30 C ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 NHR3 '[U-99% 13C; U-99% 15N]' . . 2 $NHR3 . . 2 . . mM . . . . 16954 1 2 PKA(RIIa) 'natural abundance' . . 1 $PKA(RIIa) . . 4 . . mM . . . . 16954 1 3 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 16954 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16954 1 stop_ save_ save_CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 _Sample.Sf_category sample _Sample.Sf_framecode CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 _Sample.Entry_ID 16954 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM NaPi pH=4.0 1 mM EDTA temp=30 C ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PKA(RIIa) '[U-99% 13C; U-99% 15N]' . . 1 $PKA(RIIa) . . 4 . . mM . . . . 16954 2 2 NHR3 'natural abundance' . . 2 $NHR3 . . 2 . . mM . . . . 16954 2 3 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 16954 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16954 2 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 16954 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 20 mM NaPi pH=4.0 1 mM EDTA temp=30 C ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0 . M 16954 1 pH 4.0 . pH 16954 1 pressure 1 . atm 16954 1 temperature 303 . K 16954 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16954 _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' . . 16954 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16954 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16954 _Software.ID 2 _Software.Name NMRDraw _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' . . 16954 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16954 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16954 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16954 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16954 3 'peak picking' 16954 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16954 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16954 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16954 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16954 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16954 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16954 5 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 16954 _Software.ID 6 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . 16954 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16954 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Shamu _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Shamu _NMR_spectrometer.Entry_ID 16954 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Flipper _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Flipper _NMR_spectrometer.Entry_ID 16954 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16954 _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 Shamu Varian Avance . 600 . . . 16954 1 2 Flipper Varian Avance . 500 . . . 16954 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 16954 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using a combination of NOE and residual dipolar coupling data.' 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 $CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) isotropic . . 1 $sample_conditions_1 . . . 2 $Flipper . . . . . . . . . . . . . . . . 16954 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 3 '3D HNCO' no . . . . . . . . . . 1 $CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 4 '3D HNCACB' no . . . . . . . . . . 1 $CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 6 '3D HNHA' no . . . . . . . . . . 1 $CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 isotropic . . 1 $sample_conditions_1 . . . 2 $Flipper . . . . . . . . . . . . . . . . 16954 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 12 '3D HNCO' no . . . . . . . . . . 2 $CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 13 '3D HNCACB' no . . . . . . . . . . 2 $CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 15 '3D HNHA' no . . . . . . . . . . 2 $CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 16 '3D H(CCO)NH' no . . . . . . . . . . 2 $CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 isotropic . . 1 $sample_conditions_1 . . . 1 $Shamu . . . . . . . . . . . . . . . . 16954 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 16954 _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 . . . . . . . . . 16954 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16954 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16954 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 16954 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; The highest value of the estimated chemical shift errors: H: 0.08, the majority of the errors for H's were 0.02 or less. C: 0.42; N: 0.22. ; _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' . . . 16954 1 2 '3D CBCA(CO)NH' . . . 16954 1 3 '3D HNCO' . . . 16954 1 4 '3D HNCACB' . . . 16954 1 5 '3D HCCH-TOCSY' . . . 16954 1 6 '3D HNHA' . . . 16954 1 7 '3D H(CCO)NH' . . . 16954 1 8 '3D 1H-15N NOESY' . . . 16954 1 9 '3D 1H-13C NOESY' . . . 16954 1 10 '2D 1H-15N HSQC' . . . 16954 1 11 '3D CBCA(CO)NH' . . . 16954 1 12 '3D HNCO' . . . 16954 1 13 '3D HNCACB' . . . 16954 1 14 '3D HCCH-TOCSY' . . . 16954 1 15 '3D HNHA' . . . 16954 1 16 '3D H(CCO)NH' . . . 16954 1 17 '3D 1H-15N NOESY' . . . 16954 1 18 '3D 1H-13C NOESY' . . . 16954 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.807 0.08 . 1 . . . . 1 G QA . 16954 1 2 . 1 1 1 1 GLY HA3 H 1 3.807 0.08 . 1 . . . . 1 G QA . 16954 1 3 . 1 1 1 1 GLY C C 13 169.898 0.42 . 1 . . . . 1 G CO . 16954 1 4 . 1 1 2 2 ALA H H 1 8.586 0.08 . 6 . . . . 2 A HN . 16954 1 5 . 1 1 2 2 ALA HB1 H 1 1.350 0.08 . 6 . . . . 2 A QB . 16954 1 6 . 1 1 2 2 ALA HB2 H 1 1.350 0.08 . 6 . . . . 2 A QB . 16954 1 7 . 1 1 2 2 ALA HB3 H 1 1.350 0.08 . 6 . . . . 2 A QB . 16954 1 8 . 1 1 2 2 ALA C C 13 177.821 0.42 . 6 . . . . 2 A CO . 16954 1 9 . 1 1 2 2 ALA N N 15 123.757 0.22 . 6 . . . . 2 A N . 16954 1 10 . 1 1 3 3 MET H H 1 8.497 0.08 . 1 . . . . 3 M HN . 16954 1 11 . 1 1 3 3 MET HA H 1 4.304 0.08 . 1 . . . . 3 M HA . 16954 1 12 . 1 1 3 3 MET HB2 H 1 2.010 0.08 . 1 . . . . 3 M QB . 16954 1 13 . 1 1 3 3 MET HB3 H 1 2.010 0.08 . 1 . . . . 3 M QB . 16954 1 14 . 1 1 3 3 MET HG2 H 1 2.525 0.08 . 1 . . . . 3 M QG . 16954 1 15 . 1 1 3 3 MET HG3 H 1 2.525 0.08 . 1 . . . . 3 M QG . 16954 1 16 . 1 1 3 3 MET C C 13 176.787 0.42 . 1 . . . . 3 M CO . 16954 1 17 . 1 1 3 3 MET N N 15 119.836 0.22 . 1 . . . . 3 M N . 16954 1 18 . 1 1 4 4 GLY H H 1 8.382 0.08 . 1 . . . . 4 G HN . 16954 1 19 . 1 1 4 4 GLY HA2 H 1 4.449 0.08 . 1 . . . . 4 G HA2 . 16954 1 20 . 1 1 4 4 GLY HA3 H 1 3.939 0.08 . 1 . . . . 4 G HA3 . 16954 1 21 . 1 1 4 4 GLY C C 13 174.273 0.42 . 1 . . . . 4 G CO . 16954 1 22 . 1 1 4 4 GLY N N 15 110.199 0.22 . 1 . . . . 4 G N . 16954 1 23 . 1 1 5 5 SER H H 1 8.213 0.08 . 1 . . . . 5 S HN . 16954 1 24 . 1 1 5 5 SER HA H 1 4.399 0.08 . 1 . . . . 5 S HA . 16954 1 25 . 1 1 5 5 SER HB2 H 1 3.828 0.08 . 1 . . . . 5 S QB . 16954 1 26 . 1 1 5 5 SER HB3 H 1 3.828 0.08 . 1 . . . . 5 S QB . 16954 1 27 . 1 1 5 5 SER C C 13 174.807 0.42 . 1 . . . . 5 S CO . 16954 1 28 . 1 1 5 5 SER N N 15 115.656 0.22 . 1 . . . . 5 S N . 16954 1 29 . 1 1 6 6 MET H H 1 8.408 0.08 . 6 . . . . 6 M HN . 16954 1 30 . 1 1 6 6 MET HA H 1 4.472 0.08 . 6 . . . . 6 M HA . 16954 1 31 . 1 1 6 6 MET HB2 H 1 1.992 0.08 . 6 . . . . 6 M QB . 16954 1 32 . 1 1 6 6 MET HB3 H 1 1.992 0.08 . 6 . . . . 6 M QB . 16954 1 33 . 1 1 6 6 MET HG2 H 1 2.506 0.08 . 6 . . . . 6 M QG . 16954 1 34 . 1 1 6 6 MET HG3 H 1 2.506 0.08 . 6 . . . . 6 M QG . 16954 1 35 . 1 1 6 6 MET C C 13 176.121 0.42 . 6 . . . . 6 M CO . 16954 1 36 . 1 1 6 6 MET CA C 13 55.517 0.42 . 6 . . . . 6 M CA . 16954 1 37 . 1 1 6 6 MET N N 15 121.922 0.22 . 6 . . . . 6 M N . 16954 1 38 . 1 1 7 7 SER H H 1 8.135 0.08 . 1 . . . . 7 S HN . 16954 1 39 . 1 1 7 7 SER HA H 1 4.301 0.08 . 1 . . . . 7 S HA . 16954 1 40 . 1 1 7 7 SER HB2 H 1 3.749 0.08 . 1 . . . . 7 S QB . 16954 1 41 . 1 1 7 7 SER HB3 H 1 3.749 0.08 . 1 . . . . 7 S QB . 16954 1 42 . 1 1 7 7 SER C C 13 174.260 0.42 . 1 . . . . 7 S CO . 16954 1 43 . 1 1 7 7 SER CA C 13 58.673 0.42 . 1 . . . . 7 S CA . 16954 1 44 . 1 1 7 7 SER CB C 13 63.791 0.42 . 1 . . . . 7 S CB . 16954 1 45 . 1 1 7 7 SER N N 15 116.025 0.22 . 1 . . . . 7 S N . 16954 1 46 . 1 1 8 8 HIS H H 1 8.356 0.08 . 6 . . . . 8 H HN . 16954 1 47 . 1 1 8 8 HIS HA H 1 4.703 0.08 . 6 . . . . 8 H HA . 16954 1 48 . 1 1 8 8 HIS HB2 H 1 3.228 0.08 . 6 . . . . 8 H HB2 . 16954 1 49 . 1 1 8 8 HIS HB3 H 1 3.076 0.08 . 6 . . . . 8 H HB3 . 16954 1 50 . 1 1 8 8 HIS HD2 H 1 7.217 0.08 . 6 . . . . 8 H HD2 . 16954 1 51 . 1 1 8 8 HIS C C 13 173.847 0.42 . 6 . . . . 8 H CO . 16954 1 52 . 1 1 8 8 HIS CA C 13 55.082 0.42 . 6 . . . . 8 H CA . 16954 1 53 . 1 1 8 8 HIS CB C 13 28.990 0.42 . 6 . . . . 8 H CB . 16954 1 54 . 1 1 8 8 HIS CD2 C 13 119.897 0.42 . 6 . . . . 8 H CD2 . 16954 1 55 . 1 1 8 8 HIS N N 15 119.944 0.22 . 6 . . . . 8 H N . 16954 1 56 . 1 1 9 9 ILE H H 1 8.014 0.08 . 6 . . . . 9 I HN . 16954 1 57 . 1 1 9 9 ILE HA H 1 4.045 0.08 . 6 . . . . 9 I HA . 16954 1 58 . 1 1 9 9 ILE HB H 1 1.703 0.08 . 6 . . . . 9 I HB . 16954 1 59 . 1 1 9 9 ILE HD11 H 1 0.788 0.08 . 6 . . . . 9 I QD1 . 16954 1 60 . 1 1 9 9 ILE HD12 H 1 0.788 0.08 . 6 . . . . 9 I QD1 . 16954 1 61 . 1 1 9 9 ILE HD13 H 1 0.788 0.08 . 6 . . . . 9 I QD1 . 16954 1 62 . 1 1 9 9 ILE HG12 H 1 1.378 0.08 . 6 . . . . 9 I HG12 . 16954 1 63 . 1 1 9 9 ILE HG13 H 1 1.099 0.08 . 6 . . . . 9 I HG13 . 16954 1 64 . 1 1 9 9 ILE HG21 H 1 0.757 0.08 . 6 . . . . 9 I QG2 . 16954 1 65 . 1 1 9 9 ILE HG22 H 1 0.757 0.08 . 6 . . . . 9 I QG2 . 16954 1 66 . 1 1 9 9 ILE HG23 H 1 0.757 0.08 . 6 . . . . 9 I QG2 . 16954 1 67 . 1 1 9 9 ILE C C 13 174.759 0.42 . 6 . . . . 9 I CO . 16954 1 68 . 1 1 9 9 ILE CA C 13 60.708 0.42 . 6 . . . . 9 I CA . 16954 1 69 . 1 1 9 9 ILE CB C 13 38.360 0.42 . 6 . . . . 9 I CB . 16954 1 70 . 1 1 9 9 ILE CD1 C 13 13.389 0.42 . 6 . . . . 9 I CD1 . 16954 1 71 . 1 1 9 9 ILE CG1 C 13 27.408 0.42 . 6 . . . . 9 I CG1 . 16954 1 72 . 1 1 9 9 ILE CG2 C 13 18.209 0.42 . 6 . . . . 9 I CG2 . 16954 1 73 . 1 1 9 9 ILE N N 15 122.704 0.22 . 6 . . . . 9 I N . 16954 1 74 . 1 1 10 10 GLN H H 1 8.179 0.08 . 6 . . . . 10 Q HN . 16954 1 75 . 1 1 10 10 GLN HA H 1 4.410 0.08 . 6 . . . . 10 Q HA . 16954 1 76 . 1 1 10 10 GLN HB2 H 1 1.933 0.08 . 6 . . . . 10 Q HB2 . 16954 1 77 . 1 1 10 10 GLN HB3 H 1 1.799 0.08 . 6 . . . . 10 Q HB3 . 16954 1 78 . 1 1 10 10 GLN HE21 H 1 7.394 0.08 . 6 . . . . 10 Q HE21 . 16954 1 79 . 1 1 10 10 GLN HE22 H 1 6.793 0.08 . 6 . . . . 10 Q HE22 . 16954 1 80 . 1 1 10 10 GLN HG2 H 1 2.196 0.08 . 6 . . . . 10 Q QG . 16954 1 81 . 1 1 10 10 GLN HG3 H 1 2.196 0.08 . 6 . . . . 10 Q QG . 16954 1 82 . 1 1 10 10 GLN C C 13 174.646 0.42 . 6 . . . . 10 Q CO . 16954 1 83 . 1 1 10 10 GLN CA C 13 54.182 0.42 . 6 . . . . 10 Q CA . 16954 1 84 . 1 1 10 10 GLN CB C 13 30.825 0.42 . 6 . . . . 10 Q CB . 16954 1 85 . 1 1 10 10 GLN CG C 13 33.475 0.42 . 6 . . . . 10 Q CG . 16954 1 86 . 1 1 10 10 GLN N N 15 124.923 0.22 . 6 . . . . 10 Q N . 16954 1 87 . 1 1 10 10 GLN NE2 N 15 112.144 0.22 . 6 . . . . 10 Q NE2 . 16954 1 88 . 1 1 11 11 ILE H H 1 8.516 0.08 . 6 . . . . 11 I HN . 16954 1 89 . 1 1 11 11 ILE HA H 1 4.140 0.08 . 6 . . . . 11 I HA . 16954 1 90 . 1 1 11 11 ILE HB H 1 1.966 0.08 . 6 . . . . 11 I HB . 16954 1 91 . 1 1 11 11 ILE HD11 H 1 0.736 0.08 . 6 . . . . 11 I QD1 . 16954 1 92 . 1 1 11 11 ILE HD12 H 1 0.736 0.08 . 6 . . . . 11 I QD1 . 16954 1 93 . 1 1 11 11 ILE HD13 H 1 0.736 0.08 . 6 . . . . 11 I QD1 . 16954 1 94 . 1 1 11 11 ILE HG12 H 1 1.516 0.08 . 6 . . . . 11 I HG12 . 16954 1 95 . 1 1 11 11 ILE HG13 H 1 1.301 0.08 . 6 . . . . 11 I HG13 . 16954 1 96 . 1 1 11 11 ILE HG21 H 1 0.892 0.08 . 6 . . . . 11 I QG2 . 16954 1 97 . 1 1 11 11 ILE HG22 H 1 0.892 0.08 . 6 . . . . 11 I QG2 . 16954 1 98 . 1 1 11 11 ILE HG23 H 1 0.892 0.08 . 6 . . . . 11 I QG2 . 16954 1 99 . 1 1 11 11 ILE CA C 13 57.584 0.42 . 6 . . . . 11 I CA . 16954 1 100 . 1 1 11 11 ILE CB C 13 36.911 0.42 . 6 . . . . 11 I CB . 16954 1 101 . 1 1 11 11 ILE CD1 C 13 11.380 0.42 . 6 . . . . 11 I CD1 . 16954 1 102 . 1 1 11 11 ILE CG1 C 13 27.176 0.42 . 6 . . . . 11 I CG1 . 16954 1 103 . 1 1 11 11 ILE CG2 C 13 17.411 0.42 . 6 . . . . 11 I CG2 . 16954 1 104 . 1 1 11 11 ILE N N 15 124.850 0.22 . 6 . . . . 11 I N . 16954 1 105 . 1 1 12 12 PRO HA H 1 4.711 0.08 . 6 . . . . 12 P HA . 16954 1 106 . 1 1 12 12 PRO HB2 H 1 2.362 0.08 . 6 . . . . 12 P HB2 . 16954 1 107 . 1 1 12 12 PRO HB3 H 1 1.821 0.08 . 6 . . . . 12 P HB3 . 16954 1 108 . 1 1 12 12 PRO HD2 H 1 3.934 0.08 . 6 . . . . 12 P HD2 . 16954 1 109 . 1 1 12 12 PRO HD3 H 1 3.364 0.08 . 6 . . . . 12 P HD3 . 16954 1 110 . 1 1 12 12 PRO HG2 H 1 1.982 0.08 . 6 . . . . 12 P HG2 . 16954 1 111 . 1 1 12 12 PRO HG3 H 1 1.830 0.08 . 6 . . . . 12 P HG3 . 16954 1 112 . 1 1 12 12 PRO CA C 13 61.496 0.42 . 6 . . . . 12 P CA . 16954 1 113 . 1 1 12 12 PRO CB C 13 31.197 0.42 . 6 . . . . 12 P CB . 16954 1 114 . 1 1 12 12 PRO CD C 13 50.827 0.42 . 6 . . . . 12 P CD . 16954 1 115 . 1 1 12 12 PRO CG C 13 27.515 0.42 . 6 . . . . 12 P CG . 16954 1 116 . 1 1 13 13 PRO HA H 1 4.356 0.08 . 6 . . . . 13 P HA . 16954 1 117 . 1 1 13 13 PRO HB2 H 1 2.317 0.08 . 6 . . . . 13 P HB2 . 16954 1 118 . 1 1 13 13 PRO HB3 H 1 1.903 0.08 . 6 . . . . 13 P HB3 . 16954 1 119 . 1 1 13 13 PRO HD2 H 1 3.865 0.08 . 6 . . . . 13 P HD2 . 16954 1 120 . 1 1 13 13 PRO HD3 H 1 3.668 0.08 . 6 . . . . 13 P HD3 . 16954 1 121 . 1 1 13 13 PRO HG2 H 1 2.118 0.08 . 6 . . . . 13 P HG2 . 16954 1 122 . 1 1 13 13 PRO HG3 H 1 2.021 0.08 . 6 . . . . 13 P HG3 . 16954 1 123 . 1 1 13 13 PRO C C 13 177.283 0.42 . 6 . . . . 13 P CO . 16954 1 124 . 1 1 13 13 PRO CA C 13 63.792 0.42 . 6 . . . . 13 P CA . 16954 1 125 . 1 1 13 13 PRO CB C 13 31.777 0.42 . 6 . . . . 13 P CB . 16954 1 126 . 1 1 13 13 PRO CD C 13 50.921 0.42 . 6 . . . . 13 P CD . 16954 1 127 . 1 1 13 13 PRO CG C 13 27.607 0.42 . 6 . . . . 13 P CG . 16954 1 128 . 1 1 14 14 GLY H H 1 8.645 0.08 . 6 . . . . 14 G HN . 16954 1 129 . 1 1 14 14 GLY HA2 H 1 4.210 0.08 . 6 . . . . 14 G HA2 . 16954 1 130 . 1 1 14 14 GLY HA3 H 1 3.891 0.08 . 6 . . . . 14 G HA3 . 16954 1 131 . 1 1 14 14 GLY C C 13 175.563 0.42 . 6 . . . . 14 G CO . 16954 1 132 . 1 1 14 14 GLY CA C 13 45.422 0.42 . 6 . . . . 14 G CA . 16954 1 133 . 1 1 14 14 GLY N N 15 110.582 0.22 . 6 . . . . 14 G N . 16954 1 134 . 1 1 15 15 LEU H H 1 7.466 0.08 . 6 . . . . 15 L HN . 16954 1 135 . 1 1 15 15 LEU HA H 1 4.011 0.08 . 6 . . . . 15 L HA . 16954 1 136 . 1 1 15 15 LEU HB2 H 1 1.877 0.08 . 6 . . . . 15 L HB2 . 16954 1 137 . 1 1 15 15 LEU HB3 H 1 1.535 0.08 . 6 . . . . 15 L HB3 . 16954 1 138 . 1 1 15 15 LEU HD11 H 1 1.093 0.08 . 6 . . . . 15 L HD1 . 16954 1 139 . 1 1 15 15 LEU HD12 H 1 1.093 0.08 . 6 . . . . 15 L HD1 . 16954 1 140 . 1 1 15 15 LEU HD13 H 1 1.093 0.08 . 6 . . . . 15 L HD1 . 16954 1 141 . 1 1 15 15 LEU HD21 H 1 0.948 0.08 . 6 . . . . 15 L HD2 . 16954 1 142 . 1 1 15 15 LEU HD22 H 1 0.948 0.08 . 6 . . . . 15 L HD2 . 16954 1 143 . 1 1 15 15 LEU HD23 H 1 0.948 0.08 . 6 . . . . 15 L HD2 . 16954 1 144 . 1 1 15 15 LEU HG H 1 1.836 0.08 . 6 . . . . 15 L HG . 16954 1 145 . 1 1 15 15 LEU C C 13 177.922 0.42 . 6 . . . . 15 L CO . 16954 1 146 . 1 1 15 15 LEU CA C 13 59.384 0.42 . 6 . . . . 15 L CA . 16954 1 147 . 1 1 15 15 LEU CB C 13 42.102 0.42 . 6 . . . . 15 L CB . 16954 1 148 . 1 1 15 15 LEU CD1 C 13 26.026 0.42 . 6 . . . . 15 L CD1 . 16954 1 149 . 1 1 15 15 LEU CD2 C 13 25.782 0.42 . 6 . . . . 15 L CD2 . 16954 1 150 . 1 1 15 15 LEU N N 15 122.247 0.22 . 6 . . . . 15 L N . 16954 1 151 . 1 1 16 16 THR H H 1 8.679 0.08 . 6 . . . . 16 T HN . 16954 1 152 . 1 1 16 16 THR HA H 1 3.668 0.08 . 6 . . . . 16 T HA . 16954 1 153 . 1 1 16 16 THR HB H 1 4.123 0.08 . 6 . . . . 16 T HB . 16954 1 154 . 1 1 16 16 THR HG21 H 1 1.210 0.08 . 6 . . . . 16 T QG2 . 16954 1 155 . 1 1 16 16 THR HG22 H 1 1.210 0.08 . 6 . . . . 16 T QG2 . 16954 1 156 . 1 1 16 16 THR HG23 H 1 1.210 0.08 . 6 . . . . 16 T QG2 . 16954 1 157 . 1 1 16 16 THR C C 13 176.657 0.42 . 6 . . . . 16 T CO . 16954 1 158 . 1 1 16 16 THR CA C 13 66.444 0.42 . 6 . . . . 16 T CA . 16954 1 159 . 1 1 16 16 THR CB C 13 67.714 0.42 . 6 . . . . 16 T CB . 16954 1 160 . 1 1 16 16 THR CG2 C 13 21.914 0.42 . 6 . . . . 16 T CG2 . 16954 1 161 . 1 1 16 16 THR N N 15 112.909 0.22 . 6 . . . . 16 T N . 16954 1 162 . 1 1 17 17 GLU H H 1 8.903 0.08 . 6 . . . . 17 E HN . 16954 1 163 . 1 1 17 17 GLU HA H 1 3.951 0.08 . 6 . . . . 17 E HA . 16954 1 164 . 1 1 17 17 GLU HB2 H 1 2.061 0.08 . 6 . . . . 17 E HB2 . 16954 1 165 . 1 1 17 17 GLU HB3 H 1 1.934 0.08 . 6 . . . . 17 E HB3 . 16954 1 166 . 1 1 17 17 GLU HG2 H 1 2.443 0.08 . 6 . . . . 17 E HG2 . 16954 1 167 . 1 1 17 17 GLU HG3 H 1 2.307 0.08 . 6 . . . . 17 E HG3 . 16954 1 168 . 1 1 17 17 GLU C C 13 179.431 0.42 . 6 . . . . 17 E CO . 16954 1 169 . 1 1 17 17 GLU CA C 13 60.482 0.42 . 6 . . . . 17 E CA . 16954 1 170 . 1 1 17 17 GLU CB C 13 28.861 0.42 . 6 . . . . 17 E CB . 16954 1 171 . 1 1 17 17 GLU CG C 13 36.425 0.42 . 6 . . . . 17 E CG . 16954 1 172 . 1 1 17 17 GLU N N 15 122.533 0.22 . 6 . . . . 17 E N . 16954 1 173 . 1 1 18 18 LEU H H 1 7.951 0.08 . 6 . . . . 18 L HN . 16954 1 174 . 1 1 18 18 LEU HA H 1 4.274 0.08 . 6 . . . . 18 L HA . 16954 1 175 . 1 1 18 18 LEU HB2 H 1 2.103 0.08 . 6 . . . . 18 L HB2 . 16954 1 176 . 1 1 18 18 LEU HB3 H 1 1.929 0.08 . 6 . . . . 18 L HB3 . 16954 1 177 . 1 1 18 18 LEU HD11 H 1 1.107 0.08 . 6 . . . . 18 L HD1 . 16954 1 178 . 1 1 18 18 LEU HD12 H 1 1.107 0.08 . 6 . . . . 18 L HD1 . 16954 1 179 . 1 1 18 18 LEU HD13 H 1 1.107 0.08 . 6 . . . . 18 L HD1 . 16954 1 180 . 1 1 18 18 LEU HD21 H 1 0.902 0.08 . 6 . . . . 18 L HD2 . 16954 1 181 . 1 1 18 18 LEU HD22 H 1 0.902 0.08 . 6 . . . . 18 L HD2 . 16954 1 182 . 1 1 18 18 LEU HD23 H 1 0.902 0.08 . 6 . . . . 18 L HD2 . 16954 1 183 . 1 1 18 18 LEU HG H 1 1.735 0.08 . 6 . . . . 18 L HG . 16954 1 184 . 1 1 18 18 LEU C C 13 180.6 0.42 . 6 . . . . 18 L CO . 16954 1 185 . 1 1 18 18 LEU CA C 13 57.863 0.42 . 6 . . . . 18 L CA . 16954 1 186 . 1 1 18 18 LEU CB C 13 42.719 0.42 . 6 . . . . 18 L CB . 16954 1 187 . 1 1 18 18 LEU CD1 C 13 25.711 0.42 . 6 . . . . 18 L CD1 . 16954 1 188 . 1 1 18 18 LEU CD2 C 13 26.844 0.42 . 6 . . . . 18 L CD2 . 16954 1 189 . 1 1 18 18 LEU N N 15 121.022 0.22 . 6 . . . . 18 L N . 16954 1 190 . 1 1 19 19 LEU H H 1 8.351 0.08 . 6 . . . . 19 L HN . 16954 1 191 . 1 1 19 19 LEU HA H 1 4.321 0.08 . 6 . . . . 19 L HA . 16954 1 192 . 1 1 19 19 LEU HB2 H 1 2.124 0.08 . 6 . . . . 19 L HB2 . 16954 1 193 . 1 1 19 19 LEU HB3 H 1 2.168 0.08 . 6 . . . . 19 L HB3 . 16954 1 194 . 1 1 19 19 LEU HD11 H 1 1.039 0.08 . 6 . . . . 19 L HD1 . 16954 1 195 . 1 1 19 19 LEU HD12 H 1 1.039 0.08 . 6 . . . . 19 L HD1 . 16954 1 196 . 1 1 19 19 LEU HD13 H 1 1.039 0.08 . 6 . . . . 19 L HD1 . 16954 1 197 . 1 1 19 19 LEU HD21 H 1 0.799 0.08 . 6 . . . . 19 L HD2 . 16954 1 198 . 1 1 19 19 LEU HD22 H 1 0.799 0.08 . 6 . . . . 19 L HD2 . 16954 1 199 . 1 1 19 19 LEU HD23 H 1 0.799 0.08 . 6 . . . . 19 L HD2 . 16954 1 200 . 1 1 19 19 LEU HG H 1 1.498 0.08 . 6 . . . . 19 L HG . 16954 1 201 . 1 1 19 19 LEU C C 13 180.301 0.42 . 6 . . . . 19 L CO . 16954 1 202 . 1 1 19 19 LEU CA C 13 56.983 0.42 . 6 . . . . 19 L CA . 16954 1 203 . 1 1 19 19 LEU CD1 C 13 25.858 0.42 . 6 . . . . 19 L CD1 . 16954 1 204 . 1 1 19 19 LEU CD2 C 13 20.653 0.42 . 6 . . . . 19 L CD2 . 16954 1 205 . 1 1 19 19 LEU N N 15 115.688 0.22 . 6 . . . . 19 L N . 16954 1 206 . 1 1 20 20 GLN H H 1 9.381 0.08 . 6 . . . . 20 Q HN . 16954 1 207 . 1 1 20 20 GLN HA H 1 3.794 0.08 . 6 . . . . 20 Q HA . 16954 1 208 . 1 1 20 20 GLN HB2 H 1 2.353 0.08 . 6 . . . . 20 Q HB2 . 16954 1 209 . 1 1 20 20 GLN HB3 H 1 2.218 0.08 . 6 . . . . 20 Q HB3 . 16954 1 210 . 1 1 20 20 GLN HE21 H 1 7.014 0.08 . 6 . . . . 20 Q HE21 . 16954 1 211 . 1 1 20 20 GLN HE22 H 1 6.711 0.08 . 6 . . . . 20 Q HE22 . 16954 1 212 . 1 1 20 20 GLN HG2 H 1 2.305 0.08 . 6 . . . . 20 Q HG2 . 16954 1 213 . 1 1 20 20 GLN HG3 H 1 2.192 0.08 . 6 . . . . 20 Q HG3 . 16954 1 214 . 1 1 20 20 GLN C C 13 177.273 0.42 . 6 . . . . 20 Q CO . 16954 1 215 . 1 1 20 20 GLN CA C 13 60.697 0.42 . 6 . . . . 20 Q CA . 16954 1 216 . 1 1 20 20 GLN CB C 13 28.261 0.42 . 6 . . . . 20 Q CB . 16954 1 217 . 1 1 20 20 GLN CG C 13 33.713 0.42 . 6 . . . . 20 Q CG . 16954 1 218 . 1 1 20 20 GLN N N 15 125.573 0.22 . 6 . . . . 20 Q N . 16954 1 219 . 1 1 20 20 GLN NE2 N 15 109.416 0.22 . 6 . . . . 20 Q NE2 . 16954 1 220 . 1 1 21 21 GLY H H 1 7.754 0.08 . 6 . . . . 21 G HN . 16954 1 221 . 1 1 21 21 GLY HA2 H 1 4.133 0.08 . 6 . . . . 21 G HA2 . 16954 1 222 . 1 1 21 21 GLY HA3 H 1 3.831 0.08 . 6 . . . . 21 G HA3 . 16954 1 223 . 1 1 21 21 GLY C C 13 175.849 0.42 . 6 . . . . 21 G CO . 16954 1 224 . 1 1 21 21 GLY CA C 13 47.794 0.42 . 6 . . . . 21 G CA . 16954 1 225 . 1 1 21 21 GLY N N 15 105.719 0.22 . 6 . . . . 21 G N . 16954 1 226 . 1 1 22 22 TYR H H 1 6.679 0.08 . 6 . . . . 22 Y HN . 16954 1 227 . 1 1 22 22 TYR HA H 1 2.782 0.08 . 6 . . . . 22 Y HA . 16954 1 228 . 1 1 22 22 TYR HB2 H 1 2.773 0.08 . 6 . . . . 22 Y HB2 . 16954 1 229 . 1 1 22 22 TYR HB3 H 1 2.618 0.08 . 6 . . . . 22 Y HB3 . 16954 1 230 . 1 1 22 22 TYR HD1 H 1 6.435 0.08 . 6 . . . . 22 Y QD . 16954 1 231 . 1 1 22 22 TYR HD2 H 1 6.435 0.08 . 6 . . . . 22 Y QD . 16954 1 232 . 1 1 22 22 TYR HE1 H 1 6.284 0.08 . 6 . . . . 22 Y QE . 16954 1 233 . 1 1 22 22 TYR HE2 H 1 6.284 0.08 . 6 . . . . 22 Y QE . 16954 1 234 . 1 1 22 22 TYR C C 13 175.211 0.42 . 6 . . . . 22 Y CO . 16954 1 235 . 1 1 22 22 TYR CA C 13 60.260 0.42 . 6 . . . . 22 Y CA . 16954 1 236 . 1 1 22 22 TYR CB C 13 38.630 0.42 . 6 . . . . 22 Y CB . 16954 1 237 . 1 1 22 22 TYR CD1 C 13 132.656 0.42 . 6 . . . . 22 Y CD . 16954 1 238 . 1 1 22 22 TYR CD2 C 13 132.656 0.42 . 6 . . . . 22 Y CD . 16954 1 239 . 1 1 22 22 TYR CE1 C 13 117.778 0.42 . 6 . . . . 22 Y CE . 16954 1 240 . 1 1 22 22 TYR CE2 C 13 117.778 0.42 . 6 . . . . 22 Y CE . 16954 1 241 . 1 1 22 22 TYR N N 15 119.834 0.22 . 6 . . . . 22 Y N . 16954 1 242 . 1 1 23 23 THR H H 1 8.045 0.08 . 6 . . . . 23 T HN . 16954 1 243 . 1 1 23 23 THR HA H 1 3.125 0.08 . 6 . . . . 23 T HA . 16954 1 244 . 1 1 23 23 THR HB H 1 3.999 0.08 . 6 . . . . 23 T HB . 16954 1 245 . 1 1 23 23 THR HG21 H 1 0.902 0.08 . 6 . . . . 23 T QG2 . 16954 1 246 . 1 1 23 23 THR HG22 H 1 0.902 0.08 . 6 . . . . 23 T QG2 . 16954 1 247 . 1 1 23 23 THR HG23 H 1 0.902 0.08 . 6 . . . . 23 T QG2 . 16954 1 248 . 1 1 23 23 THR C C 13 175.724 0.42 . 6 . . . . 23 T CO . 16954 1 249 . 1 1 23 23 THR CA C 13 68.310 0.42 . 6 . . . . 23 T CA . 16954 1 250 . 1 1 23 23 THR CG2 C 13 21.355 0.42 . 6 . . . . 23 T CG2 . 16954 1 251 . 1 1 23 23 THR N N 15 116.008 0.22 . 6 . . . . 23 T N . 16954 1 252 . 1 1 24 24 VAL H H 1 8.672 0.08 . 6 . . . . 24 V HN . 16954 1 253 . 1 1 24 24 VAL HA H 1 3.364 0.08 . 6 . . . . 24 V HA . 16954 1 254 . 1 1 24 24 VAL HB H 1 2.119 0.08 . 6 . . . . 24 V HB . 16954 1 255 . 1 1 24 24 VAL HG11 H 1 1.079 0.08 . 6 . . . . 24 V HG1 . 16954 1 256 . 1 1 24 24 VAL HG12 H 1 1.079 0.08 . 6 . . . . 24 V HG1 . 16954 1 257 . 1 1 24 24 VAL HG13 H 1 1.079 0.08 . 6 . . . . 24 V HG1 . 16954 1 258 . 1 1 24 24 VAL HG21 H 1 0.867 0.08 . 6 . . . . 24 V HG2 . 16954 1 259 . 1 1 24 24 VAL HG22 H 1 0.867 0.08 . 6 . . . . 24 V HG2 . 16954 1 260 . 1 1 24 24 VAL HG23 H 1 0.867 0.08 . 6 . . . . 24 V HG2 . 16954 1 261 . 1 1 24 24 VAL C C 13 177.281 0.42 . 6 . . . . 24 V CO . 16954 1 262 . 1 1 24 24 VAL CA C 13 67.577 0.42 . 6 . . . . 24 V CA . 16954 1 263 . 1 1 24 24 VAL CG1 C 13 24.161 0.42 . 6 . . . . 24 V CG1 . 16954 1 264 . 1 1 24 24 VAL CG2 C 13 21.217 0.42 . 6 . . . . 24 V CG2 . 16954 1 265 . 1 1 24 24 VAL N N 15 120.630 0.22 . 6 . . . . 24 V N . 16954 1 266 . 1 1 25 25 GLU H H 1 7.190 0.08 . 6 . . . . 25 E HN . 16954 1 267 . 1 1 25 25 GLU HA H 1 4.181 0.08 . 6 . . . . 25 E HA . 16954 1 268 . 1 1 25 25 GLU HB2 H 1 2.157 0.08 . 6 . . . . 25 E HB2 . 16954 1 269 . 1 1 25 25 GLU HB3 H 1 1.929 0.08 . 6 . . . . 25 E HB3 . 16954 1 270 . 1 1 25 25 GLU HG2 H 1 2.519 0.08 . 6 . . . . 25 E QG . 16954 1 271 . 1 1 25 25 GLU HG3 H 1 2.519 0.08 . 6 . . . . 25 E QG . 16954 1 272 . 1 1 25 25 GLU C C 13 179.012 0.42 . 6 . . . . 25 E CO . 16954 1 273 . 1 1 25 25 GLU CB C 13 28.138 0.42 . 6 . . . . 25 E CB . 16954 1 274 . 1 1 25 25 GLU N N 15 117.037 0.22 . 6 . . . . 25 E N . 16954 1 275 . 1 1 26 26 VAL H H 1 8.167 0.08 . 6 . . . . 26 V HN . 16954 1 276 . 1 1 26 26 VAL HA H 1 2.701 0.08 . 6 . . . . 26 V HA . 16954 1 277 . 1 1 26 26 VAL HB H 1 1.841 0.08 . 6 . . . . 26 V HB . 16954 1 278 . 1 1 26 26 VAL HG11 H 1 0.576 0.08 . 6 . . . . 26 V HG1 . 16954 1 279 . 1 1 26 26 VAL HG12 H 1 0.576 0.08 . 6 . . . . 26 V HG1 . 16954 1 280 . 1 1 26 26 VAL HG13 H 1 0.576 0.08 . 6 . . . . 26 V HG1 . 16954 1 281 . 1 1 26 26 VAL HG21 H 1 0.199 0.08 . 6 . . . . 26 V HG2 . 16954 1 282 . 1 1 26 26 VAL HG22 H 1 0.199 0.08 . 6 . . . . 26 V HG2 . 16954 1 283 . 1 1 26 26 VAL HG23 H 1 0.199 0.08 . 6 . . . . 26 V HG2 . 16954 1 284 . 1 1 26 26 VAL C C 13 178.942 0.42 . 6 . . . . 26 V CO . 16954 1 285 . 1 1 26 26 VAL CG2 C 13 23.616 0.42 . 6 . . . . 26 V CG2 . 16954 1 286 . 1 1 26 26 VAL N N 15 120.672 0.22 . 6 . . . . 26 V N . 16954 1 287 . 1 1 27 27 LEU H H 1 8.057 0.08 . 6 . . . . 27 L HN . 16954 1 288 . 1 1 27 27 LEU HA H 1 3.858 0.08 . 6 . . . . 27 L HA . 16954 1 289 . 1 1 27 27 LEU HB2 H 1 1.890 0.08 . 6 . . . . 27 L HB2 . 16954 1 290 . 1 1 27 27 LEU HB3 H 1 1.232 0.08 . 6 . . . . 27 L HB3 . 16954 1 291 . 1 1 27 27 LEU HD11 H 1 0.646 0.08 . 6 . . . . 27 L HD1 . 16954 1 292 . 1 1 27 27 LEU HD12 H 1 0.646 0.08 . 6 . . . . 27 L HD1 . 16954 1 293 . 1 1 27 27 LEU HD13 H 1 0.646 0.08 . 6 . . . . 27 L HD1 . 16954 1 294 . 1 1 27 27 LEU HD21 H 1 0.708 0.08 . 6 . . . . 27 L HD2 . 16954 1 295 . 1 1 27 27 LEU HD22 H 1 0.708 0.08 . 6 . . . . 27 L HD2 . 16954 1 296 . 1 1 27 27 LEU HD23 H 1 0.708 0.08 . 6 . . . . 27 L HD2 . 16954 1 297 . 1 1 27 27 LEU HG H 1 1.240 0.08 . 6 . . . . 27 L HG . 16954 1 298 . 1 1 27 27 LEU C C 13 178.600 0.42 . 6 . . . . 27 L CO . 16954 1 299 . 1 1 27 27 LEU CB C 13 41.017 0.42 . 6 . . . . 27 L CB . 16954 1 300 . 1 1 27 27 LEU CD1 C 13 25.623 0.42 . 6 . . . . 27 L CD1 . 16954 1 301 . 1 1 27 27 LEU CD2 C 13 23.222 0.42 . 6 . . . . 27 L CD2 . 16954 1 302 . 1 1 27 27 LEU CG C 13 27.277 0.42 . 6 . . . . 27 L CG . 16954 1 303 . 1 1 27 27 LEU N N 15 119.655 0.22 . 6 . . . . 27 L N . 16954 1 304 . 1 1 28 28 ARG H H 1 8.225 0.08 . 6 . . . . 28 R HN . 16954 1 305 . 1 1 28 28 ARG HA H 1 4.022 0.08 . 6 . . . . 28 R HA . 16954 1 306 . 1 1 28 28 ARG HB2 H 1 1.868 0.08 . 6 . . . . 28 R HB2 . 16954 1 307 . 1 1 28 28 ARG HB3 H 1 1.801 0.08 . 6 . . . . 28 R HB3 . 16954 1 308 . 1 1 28 28 ARG HD2 H 1 3.083 0.08 . 6 . . . . 28 R QD . 16954 1 309 . 1 1 28 28 ARG HD3 H 1 3.083 0.08 . 6 . . . . 28 R QD . 16954 1 310 . 1 1 28 28 ARG HE H 1 7.165 0.08 . 6 . . . . 28 R HE . 16954 1 311 . 1 1 28 28 ARG HG2 H 1 1.821 0.08 . 6 . . . . 28 R HG2 . 16954 1 312 . 1 1 28 28 ARG HG3 H 1 1.507 0.08 . 6 . . . . 28 R HG3 . 16954 1 313 . 1 1 28 28 ARG C C 13 177.909 0.42 . 6 . . . . 28 R CO . 16954 1 314 . 1 1 28 28 ARG CA C 13 59.394 0.42 . 6 . . . . 28 R CA . 16954 1 315 . 1 1 28 28 ARG CB C 13 31.767 0.42 . 6 . . . . 28 R CB . 16954 1 316 . 1 1 28 28 ARG CD C 13 43.756 0.42 . 6 . . . . 28 R CD . 16954 1 317 . 1 1 28 28 ARG CG C 13 27.847 0.42 . 6 . . . . 28 R CG . 16954 1 318 . 1 1 28 28 ARG N N 15 116.431 0.22 . 6 . . . . 28 R N . 16954 1 319 . 1 1 28 28 ARG NE N 15 84.337 0.22 . 6 . . . . 28 R NE . 16954 1 320 . 1 1 29 29 GLN H H 1 8.496 0.08 . 6 . . . . 29 Q HN . 16954 1 321 . 1 1 29 29 GLN HA H 1 4.154 0.08 . 6 . . . . 29 Q HA . 16954 1 322 . 1 1 29 29 GLN HB2 H 1 1.991 0.08 . 6 . . . . 29 Q HB2 . 16954 1 323 . 1 1 29 29 GLN HB3 H 1 1.498 0.08 . 6 . . . . 29 Q HB3 . 16954 1 324 . 1 1 29 29 GLN HE21 H 1 8.123 0.08 . 6 . . . . 29 Q HE21 . 16954 1 325 . 1 1 29 29 GLN HE22 H 1 6.885 0.08 . 6 . . . . 29 Q HE22 . 16954 1 326 . 1 1 29 29 GLN HG2 H 1 2.489 0.08 . 6 . . . . 29 Q HG2 . 16954 1 327 . 1 1 29 29 GLN HG3 H 1 2.253 0.08 . 6 . . . . 29 Q HG3 . 16954 1 328 . 1 1 29 29 GLN C C 13 175.936 0.42 . 6 . . . . 29 Q CO . 16954 1 329 . 1 1 29 29 GLN CA C 13 57.277 0.42 . 6 . . . . 29 Q CA . 16954 1 330 . 1 1 29 29 GLN CB C 13 29.342 0.42 . 6 . . . . 29 Q CB . 16954 1 331 . 1 1 29 29 GLN CG C 13 34.548 0.42 . 6 . . . . 29 Q CG . 16954 1 332 . 1 1 29 29 GLN N N 15 114.957 0.22 . 6 . . . . 29 Q N . 16954 1 333 . 1 1 29 29 GLN NE2 N 15 113.118 0.22 . 6 . . . . 29 Q NE2 . 16954 1 334 . 1 1 30 30 GLN H H 1 8.149 0.08 . 6 . . . . 30 Q HN . 16954 1 335 . 1 1 30 30 GLN HA H 1 3.729 0.08 . 6 . . . . 30 Q HA . 16954 1 336 . 1 1 30 30 GLN HB2 H 1 2.135 0.08 . 6 . . . . 30 Q HB2 . 16954 1 337 . 1 1 30 30 GLN HE21 H 1 7.521 0.08 . 6 . . . . 30 Q HE21 . 16954 1 338 . 1 1 30 30 GLN HE22 H 1 6.831 0.08 . 6 . . . . 30 Q HE22 . 16954 1 339 . 1 1 30 30 GLN HG2 H 1 2.145 0.08 . 6 . . . . 30 Q QG . 16954 1 340 . 1 1 30 30 GLN HG3 H 1 2.145 0.08 . 6 . . . . 30 Q QG . 16954 1 341 . 1 1 30 30 GLN CB C 13 26.626 0.42 . 6 . . . . 30 Q CB . 16954 1 342 . 1 1 30 30 GLN CG C 13 33.370 0.42 . 6 . . . . 30 Q CG . 16954 1 343 . 1 1 30 30 GLN N N 15 113.975 0.22 . 6 . . . . 30 Q N . 16954 1 344 . 1 1 30 30 GLN NE2 N 15 111.937 0.22 . 6 . . . . 30 Q NE2 . 16954 1 345 . 1 1 31 31 PRO HA H 1 4.525 0.08 . 6 . . . . 31 P HA . 16954 1 346 . 1 1 31 31 PRO HB3 H 1 1.664 0.08 . 6 . . . . 31 P HB3 . 16954 1 347 . 1 1 31 31 PRO HD2 H 1 3.383 0.08 . 6 . . . . 31 P HD2 . 16954 1 348 . 1 1 31 31 PRO HD3 H 1 2.891 0.08 . 6 . . . . 31 P HD3 . 16954 1 349 . 1 1 31 31 PRO HG2 H 1 1.965 0.08 . 6 . . . . 31 P HG2 . 16954 1 350 . 1 1 31 31 PRO HG3 H 1 1.468 0.08 . 6 . . . . 31 P HG3 . 16954 1 351 . 1 1 31 31 PRO C C 13 176.660 0.42 . 6 . . . . 31 P CO . 16954 1 352 . 1 1 31 31 PRO CD C 13 50.724 0.42 . 6 . . . . 31 P CD . 16954 1 353 . 1 1 32 32 PRO HA H 1 4.311 0.08 . 6 . . . . 32 P HA . 16954 1 354 . 1 1 32 32 PRO HB2 H 1 2.265 0.08 . 6 . . . . 32 P HB2 . 16954 1 355 . 1 1 33 33 ASP H H 1 7.464 0.08 . 6 . . . . 33 D HN . 16954 1 356 . 1 1 33 33 ASP HA H 1 4.941 0.08 . 6 . . . . 33 D HA . 16954 1 357 . 1 1 33 33 ASP HB2 H 1 2.875 0.08 . 6 . . . . 33 D HB2 . 16954 1 358 . 1 1 33 33 ASP HB3 H 1 2.487 0.08 . 6 . . . . 33 D HB3 . 16954 1 359 . 1 1 33 33 ASP C C 13 177.136 0.42 . 6 . . . . 33 D CO . 16954 1 360 . 1 1 33 33 ASP CB C 13 42.480 0.42 . 6 . . . . 33 D CB . 16954 1 361 . 1 1 33 33 ASP N N 15 116.107 0.22 . 6 . . . . 33 D N . 16954 1 362 . 1 1 34 34 LEU H H 1 9.018 0.08 . 6 . . . . 34 L HN . 16954 1 363 . 1 1 34 34 LEU HD11 H 1 0.814 0.08 . 6 . . . . 34 L HD1 . 16954 1 364 . 1 1 34 34 LEU HD12 H 1 0.814 0.08 . 6 . . . . 34 L HD1 . 16954 1 365 . 1 1 34 34 LEU HD13 H 1 0.814 0.08 . 6 . . . . 34 L HD1 . 16954 1 366 . 1 1 34 34 LEU HD21 H 1 0.818 0.08 . 6 . . . . 34 L HD2 . 16954 1 367 . 1 1 34 34 LEU HD22 H 1 0.818 0.08 . 6 . . . . 34 L HD2 . 16954 1 368 . 1 1 34 34 LEU HD23 H 1 0.818 0.08 . 6 . . . . 34 L HD2 . 16954 1 369 . 1 1 34 34 LEU C C 13 179.532 0.42 . 6 . . . . 34 L CO . 16954 1 370 . 1 1 34 34 LEU CD1 C 13 27.524 0.42 . 6 . . . . 34 L CD1 . 16954 1 371 . 1 1 34 34 LEU CD2 C 13 25.876 0.42 . 6 . . . . 34 L CD2 . 16954 1 372 . 1 1 34 34 LEU N N 15 125.781 0.22 . 6 . . . . 34 L N . 16954 1 373 . 1 1 35 35 VAL H H 1 8.155 0.08 . 6 . . . . 35 V HN . 16954 1 374 . 1 1 35 35 VAL HA H 1 3.588 0.08 . 6 . . . . 35 V HA . 16954 1 375 . 1 1 35 35 VAL HG11 H 1 1.132 0.08 . 6 . . . . 35 V HG1 . 16954 1 376 . 1 1 35 35 VAL HG12 H 1 1.132 0.08 . 6 . . . . 35 V HG1 . 16954 1 377 . 1 1 35 35 VAL HG13 H 1 1.132 0.08 . 6 . . . . 35 V HG1 . 16954 1 378 . 1 1 35 35 VAL HG21 H 1 0.978 0.08 . 6 . . . . 35 V HG2 . 16954 1 379 . 1 1 35 35 VAL HG22 H 1 0.978 0.08 . 6 . . . . 35 V HG2 . 16954 1 380 . 1 1 35 35 VAL HG23 H 1 0.978 0.08 . 6 . . . . 35 V HG2 . 16954 1 381 . 1 1 35 35 VAL C C 13 177.395 0.42 . 6 . . . . 35 V CO . 16954 1 382 . 1 1 35 35 VAL CA C 13 67.209 0.42 . 6 . . . . 35 V CA . 16954 1 383 . 1 1 35 35 VAL CG2 C 13 22.750 0.42 . 6 . . . . 35 V CG2 . 16954 1 384 . 1 1 35 35 VAL N N 15 121.292 0.22 . 6 . . . . 35 V N . 16954 1 385 . 1 1 36 36 GLU H H 1 8.188 0.08 . 6 . . . . 36 E HN . 16954 1 386 . 1 1 36 36 GLU HA H 1 3.954 0.08 . 6 . . . . 36 E HA . 16954 1 387 . 1 1 36 36 GLU HB2 H 1 2.044 0.08 . 6 . . . . 36 E HB2 . 16954 1 388 . 1 1 36 36 GLU HB3 H 1 1.825 0.08 . 6 . . . . 36 E HB3 . 16954 1 389 . 1 1 36 36 GLU C C 13 178.713 0.42 . 6 . . . . 36 E CO . 16954 1 390 . 1 1 36 36 GLU CA C 13 58.652 0.42 . 6 . . . . 36 E CA . 16954 1 391 . 1 1 36 36 GLU N N 15 120.888 0.22 . 6 . . . . 36 E N . 16954 1 392 . 1 1 37 37 PHE H H 1 8.101 0.08 . 6 . . . . 37 F HN . 16954 1 393 . 1 1 37 37 PHE HA H 1 4.206 0.08 . 6 . . . . 37 F HA . 16954 1 394 . 1 1 37 37 PHE HB2 H 1 3.186 0.08 . 6 . . . . 37 F HB2 . 16954 1 395 . 1 1 37 37 PHE HB3 H 1 2.760 0.08 . 6 . . . . 37 F HB3 . 16954 1 396 . 1 1 37 37 PHE HD1 H 1 7.070 0.08 . 6 . . . . 37 F QD . 16954 1 397 . 1 1 37 37 PHE HD2 H 1 7.070 0.08 . 6 . . . . 37 F QD . 16954 1 398 . 1 1 37 37 PHE HE1 H 1 6.900 0.08 . 6 . . . . 37 F QE . 16954 1 399 . 1 1 37 37 PHE HE2 H 1 6.900 0.08 . 6 . . . . 37 F QE . 16954 1 400 . 1 1 37 37 PHE HZ H 1 7.138 0.08 . 6 . . . . 37 F HZ . 16954 1 401 . 1 1 37 37 PHE C C 13 176.591 0.42 . 6 . . . . 37 F CO . 16954 1 402 . 1 1 37 37 PHE CE1 C 13 130.601 0.42 . 6 . . . . 37 F CE . 16954 1 403 . 1 1 37 37 PHE CE2 C 13 130.601 0.42 . 6 . . . . 37 F CE . 16954 1 404 . 1 1 37 37 PHE CZ C 13 129.993 0.42 . 6 . . . . 37 F CZ . 16954 1 405 . 1 1 37 37 PHE N N 15 116.842 0.22 . 6 . . . . 37 F N . 16954 1 406 . 1 1 38 38 ALA H H 1 7.827 0.08 . 6 . . . . 38 A HN . 16954 1 407 . 1 1 38 38 ALA HA H 1 3.649 0.08 . 6 . . . . 38 A HA . 16954 1 408 . 1 1 38 38 ALA HB1 H 1 0.591 0.08 . 6 . . . . 38 A QB . 16954 1 409 . 1 1 38 38 ALA HB2 H 1 0.591 0.08 . 6 . . . . 38 A QB . 16954 1 410 . 1 1 38 38 ALA HB3 H 1 0.591 0.08 . 6 . . . . 38 A QB . 16954 1 411 . 1 1 38 38 ALA C C 13 178.857 0.42 . 6 . . . . 38 A CO . 16954 1 412 . 1 1 38 38 ALA CA C 13 55.730 0.42 . 6 . . . . 38 A CA . 16954 1 413 . 1 1 38 38 ALA CB C 13 16.333 0.42 . 6 . . . . 38 A CB . 16954 1 414 . 1 1 38 38 ALA N N 15 120.447 0.22 . 6 . . . . 38 A N . 16954 1 415 . 1 1 39 39 VAL H H 1 8.161 0.08 . 6 . . . . 39 V HN . 16954 1 416 . 1 1 39 39 VAL HA H 1 3.326 0.08 . 6 . . . . 39 V HA . 16954 1 417 . 1 1 39 39 VAL HB H 1 2.192 0.08 . 6 . . . . 39 V HB . 16954 1 418 . 1 1 39 39 VAL HG11 H 1 0.965 0.08 . 6 . . . . 39 V HG1 . 16954 1 419 . 1 1 39 39 VAL HG12 H 1 0.965 0.08 . 6 . . . . 39 V HG1 . 16954 1 420 . 1 1 39 39 VAL HG13 H 1 0.965 0.08 . 6 . . . . 39 V HG1 . 16954 1 421 . 1 1 39 39 VAL HG21 H 1 0.852 0.08 . 6 . . . . 39 V HG2 . 16954 1 422 . 1 1 39 39 VAL HG22 H 1 0.852 0.08 . 6 . . . . 39 V HG2 . 16954 1 423 . 1 1 39 39 VAL HG23 H 1 0.852 0.08 . 6 . . . . 39 V HG2 . 16954 1 424 . 1 1 39 39 VAL C C 13 176.500 0.42 . 6 . . . . 39 V CO . 16954 1 425 . 1 1 39 39 VAL CA C 13 68.652 0.42 . 6 . . . . 39 V CA . 16954 1 426 . 1 1 39 39 VAL CG2 C 13 23.286 0.42 . 6 . . . . 39 V CG2 . 16954 1 427 . 1 1 39 39 VAL N N 15 117.758 0.22 . 6 . . . . 39 V N . 16954 1 428 . 1 1 40 40 GLU H H 1 7.896 0.08 . 6 . . . . 40 E HN . 16954 1 429 . 1 1 40 40 GLU HA H 1 3.835 0.08 . 6 . . . . 40 E HA . 16954 1 430 . 1 1 40 40 GLU HB2 H 1 2.070 0.08 . 6 . . . . 40 E HB2 . 16954 1 431 . 1 1 40 40 GLU HB3 H 1 1.934 0.08 . 6 . . . . 40 E HB3 . 16954 1 432 . 1 1 40 40 GLU HG2 H 1 2.455 0.08 . 6 . . . . 40 E HG2 . 16954 1 433 . 1 1 40 40 GLU C C 13 177.826 0.42 . 6 . . . . 40 E CO . 16954 1 434 . 1 1 40 40 GLU CA C 13 59.614 0.42 . 6 . . . . 40 E CA . 16954 1 435 . 1 1 40 40 GLU CB C 13 28.775 0.42 . 6 . . . . 40 E CB . 16954 1 436 . 1 1 40 40 GLU N N 15 120.575 0.22 . 6 . . . . 40 E N . 16954 1 437 . 1 1 41 41 TYR H H 1 8.892 0.08 . 6 . . . . 41 Y HN . 16954 1 438 . 1 1 41 41 TYR HA H 1 3.546 0.08 . 6 . . . . 41 Y HA . 16954 1 439 . 1 1 41 41 TYR HB2 H 1 2.219 0.08 . 6 . . . . 41 Y HB2 . 16954 1 440 . 1 1 41 41 TYR HB3 H 1 2.190 0.08 . 6 . . . . 41 Y HB3 . 16954 1 441 . 1 1 41 41 TYR HD1 H 1 5.811 0.08 . 6 . . . . 41 Y QD . 16954 1 442 . 1 1 41 41 TYR HD2 H 1 5.811 0.08 . 6 . . . . 41 Y QD . 16954 1 443 . 1 1 41 41 TYR HE1 H 1 6.412 0.08 . 6 . . . . 41 Y QE . 16954 1 444 . 1 1 41 41 TYR HE2 H 1 6.412 0.08 . 6 . . . . 41 Y QE . 16954 1 445 . 1 1 41 41 TYR C C 13 177.928 0.42 . 6 . . . . 41 Y CO . 16954 1 446 . 1 1 41 41 TYR CA C 13 61.936 0.42 . 6 . . . . 41 Y CA . 16954 1 447 . 1 1 41 41 TYR CD1 C 13 132.386 0.42 . 6 . . . . 41 Y CD . 16954 1 448 . 1 1 41 41 TYR CD2 C 13 132.386 0.42 . 6 . . . . 41 Y CD . 16954 1 449 . 1 1 41 41 TYR CE1 C 13 117.608 0.42 . 6 . . . . 41 Y CE . 16954 1 450 . 1 1 41 41 TYR CE2 C 13 117.608 0.42 . 6 . . . . 41 Y CE . 16954 1 451 . 1 1 41 41 TYR N N 15 121.002 0.22 . 6 . . . . 41 Y N . 16954 1 452 . 1 1 42 42 PHE H H 1 8.726 0.08 . 6 . . . . 42 F HN . 16954 1 453 . 1 1 42 42 PHE HA H 1 4.092 0.08 . 6 . . . . 42 F HA . 16954 1 454 . 1 1 42 42 PHE HB2 H 1 3.145 0.08 . 6 . . . . 42 F HB2 . 16954 1 455 . 1 1 42 42 PHE HB3 H 1 2.707 0.08 . 6 . . . . 42 F HB3 . 16954 1 456 . 1 1 42 42 PHE HD1 H 1 7.242 0.08 . 6 . . . . 42 F QD . 16954 1 457 . 1 1 42 42 PHE HD2 H 1 7.242 0.08 . 6 . . . . 42 F QD . 16954 1 458 . 1 1 42 42 PHE HE1 H 1 6.520 0.08 . 6 . . . . 42 F QE . 16954 1 459 . 1 1 42 42 PHE HE2 H 1 6.520 0.08 . 6 . . . . 42 F QE . 16954 1 460 . 1 1 42 42 PHE HZ H 1 6.536 0.08 . 6 . . . . 42 F HZ . 16954 1 461 . 1 1 42 42 PHE C C 13 177.310 0.42 . 6 . . . . 42 F CO . 16954 1 462 . 1 1 42 42 PHE CA C 13 62.706 0.42 . 6 . . . . 42 F CA . 16954 1 463 . 1 1 42 42 PHE CB C 13 38.002 0.42 . 6 . . . . 42 F CB . 16954 1 464 . 1 1 42 42 PHE CD1 C 13 131.898 0.42 . 6 . . . . 42 F CD . 16954 1 465 . 1 1 42 42 PHE CD2 C 13 131.898 0.42 . 6 . . . . 42 F CD . 16954 1 466 . 1 1 42 42 PHE CE1 C 13 128.804 0.42 . 6 . . . . 42 F CE . 16954 1 467 . 1 1 42 42 PHE CE2 C 13 128.804 0.42 . 6 . . . . 42 F CE . 16954 1 468 . 1 1 42 42 PHE CZ C 13 130.371 0.42 . 6 . . . . 42 F CZ . 16954 1 469 . 1 1 42 42 PHE N N 15 115.550 0.22 . 6 . . . . 42 F N . 16954 1 470 . 1 1 43 43 THR H H 1 7.985 0.08 . 6 . . . . 43 T HN . 16954 1 471 . 1 1 43 43 THR HA H 1 4.205 0.08 . 6 . . . . 43 T HA . 16954 1 472 . 1 1 43 43 THR HB H 1 3.716 0.08 . 6 . . . . 43 T HB . 16954 1 473 . 1 1 43 43 THR HG21 H 1 1.148 0.08 . 6 . . . . 43 T QG2 . 16954 1 474 . 1 1 43 43 THR HG22 H 1 1.148 0.08 . 6 . . . . 43 T QG2 . 16954 1 475 . 1 1 43 43 THR HG23 H 1 1.148 0.08 . 6 . . . . 43 T QG2 . 16954 1 476 . 1 1 43 43 THR C C 13 176.204 0.42 . 6 . . . . 43 T CO . 16954 1 477 . 1 1 43 43 THR CG2 C 13 21.206 0.42 . 6 . . . . 43 T CG2 . 16954 1 478 . 1 1 43 43 THR N N 15 116.860 0.22 . 6 . . . . 43 T N . 16954 1 479 . 1 1 44 44 ARG H H 1 7.671 0.08 . 6 . . . . 44 R HN . 16954 1 480 . 1 1 44 44 ARG HA H 1 3.911 0.08 . 6 . . . . 44 R HA . 16954 1 481 . 1 1 44 44 ARG HB2 H 1 1.710 0.08 . 6 . . . . 44 R QB . 16954 1 482 . 1 1 44 44 ARG HB3 H 1 1.710 0.08 . 6 . . . . 44 R QB . 16954 1 483 . 1 1 44 44 ARG HD2 H 1 3.527 0.08 . 6 . . . . 44 R HD2 . 16954 1 484 . 1 1 44 44 ARG HD3 H 1 3.053 0.08 . 6 . . . . 44 R HD3 . 16954 1 485 . 1 1 44 44 ARG HE H 1 7.137 0.08 . 6 . . . . 44 R HE . 16954 1 486 . 1 1 44 44 ARG HG2 H 1 1.645 0.08 . 6 . . . . 44 R HG2 . 16954 1 487 . 1 1 44 44 ARG HG3 H 1 1.472 0.08 . 6 . . . . 44 R HG3 . 16954 1 488 . 1 1 44 44 ARG C C 13 179.186 0.42 . 6 . . . . 44 R CO . 16954 1 489 . 1 1 44 44 ARG CA C 13 59.376 0.42 . 6 . . . . 44 R CA . 16954 1 490 . 1 1 44 44 ARG CB C 13 29.430 0.42 . 6 . . . . 44 R CB . 16954 1 491 . 1 1 44 44 ARG CD C 13 43.503 0.42 . 6 . . . . 44 R CD . 16954 1 492 . 1 1 44 44 ARG CG C 13 27.529 0.42 . 6 . . . . 44 R CG . 16954 1 493 . 1 1 44 44 ARG N N 15 121.751 0.22 . 6 . . . . 44 R N . 16954 1 494 . 1 1 44 44 ARG NE N 15 84.636 0.22 . 6 . . . . 44 R NE . 16954 1 495 . 1 1 45 45 LEU H H 1 7.325 0.08 . 6 . . . . 45 L HN . 16954 1 496 . 1 1 45 45 LEU HA H 1 3.889 0.08 . 6 . . . . 45 L HA . 16954 1 497 . 1 1 45 45 LEU HB2 H 1 1.539 0.08 . 6 . . . . 45 L HB2 . 16954 1 498 . 1 1 45 45 LEU HB3 H 1 1.517 0.08 . 6 . . . . 45 L HB3 . 16954 1 499 . 1 1 45 45 LEU HD11 H 1 0.730 0.08 . 6 . . . . 45 L HD1 . 16954 1 500 . 1 1 45 45 LEU HD12 H 1 0.730 0.08 . 6 . . . . 45 L HD1 . 16954 1 501 . 1 1 45 45 LEU HD13 H 1 0.730 0.08 . 6 . . . . 45 L HD1 . 16954 1 502 . 1 1 45 45 LEU HD21 H 1 0.731 0.08 . 6 . . . . 45 L HD2 . 16954 1 503 . 1 1 45 45 LEU HD22 H 1 0.731 0.08 . 6 . . . . 45 L HD2 . 16954 1 504 . 1 1 45 45 LEU HD23 H 1 0.731 0.08 . 6 . . . . 45 L HD2 . 16954 1 505 . 1 1 45 45 LEU HG H 1 1.378 0.08 . 6 . . . . 45 L HG . 16954 1 506 . 1 1 45 45 LEU C C 13 179.143 0.42 . 6 . . . . 45 L CO . 16954 1 507 . 1 1 45 45 LEU CA C 13 57.698 0.42 . 6 . . . . 45 L CA . 16954 1 508 . 1 1 45 45 LEU CB C 13 42.230 0.42 . 6 . . . . 45 L CB . 16954 1 509 . 1 1 45 45 LEU CD2 C 13 25.212 0.42 . 6 . . . . 45 L CD2 . 16954 1 510 . 1 1 45 45 LEU CG C 13 26.896 0.42 . 6 . . . . 45 L CG . 16954 1 511 . 1 1 45 45 LEU N N 15 119.235 0.22 . 6 . . . . 45 L N . 16954 1 512 . 1 1 46 46 ARG H H 1 7.891 0.08 . 6 . . . . 46 R HN . 16954 1 513 . 1 1 46 46 ARG HA H 1 3.871 0.08 . 6 . . . . 46 R HA . 16954 1 514 . 1 1 46 46 ARG HB2 H 1 2.180 0.08 . 6 . . . . 46 R HB2 . 16954 1 515 . 1 1 46 46 ARG HB3 H 1 1.727 0.08 . 6 . . . . 46 R HB3 . 16954 1 516 . 1 1 46 46 ARG HD2 H 1 3.323 0.08 . 6 . . . . 46 R HD2 . 16954 1 517 . 1 1 46 46 ARG HD3 H 1 3.002 0.08 . 6 . . . . 46 R HD3 . 16954 1 518 . 1 1 46 46 ARG HE H 1 7.512 0.08 . 6 . . . . 46 R HE . 16954 1 519 . 1 1 46 46 ARG HG2 H 1 1.735 0.08 . 6 . . . . 46 R HG2 . 16954 1 520 . 1 1 46 46 ARG HG3 H 1 1.683 0.08 . 6 . . . . 46 R HG3 . 16954 1 521 . 1 1 46 46 ARG C C 13 178.364 0.42 . 6 . . . . 46 R CO . 16954 1 522 . 1 1 46 46 ARG CA C 13 59.089 0.42 . 6 . . . . 46 R CA . 16954 1 523 . 1 1 46 46 ARG CB C 13 30.268 0.42 . 6 . . . . 46 R CB . 16954 1 524 . 1 1 46 46 ARG CD C 13 44.012 0.42 . 6 . . . . 46 R CD . 16954 1 525 . 1 1 46 46 ARG CG C 13 26.768 0.42 . 6 . . . . 46 R CG . 16954 1 526 . 1 1 46 46 ARG N N 15 119.677 0.22 . 6 . . . . 46 R N . 16954 1 527 . 1 1 46 46 ARG NE N 15 84.115 0.22 . 6 . . . . 46 R NE . 16954 1 528 . 1 1 47 47 GLU H H 1 7.949 0.08 . 6 . . . . 47 E HN . 16954 1 529 . 1 1 47 47 GLU HA H 1 4.083 0.08 . 6 . . . . 47 E HA . 16954 1 530 . 1 1 47 47 GLU HB2 H 1 2.074 0.08 . 6 . . . . 47 E HB2 . 16954 1 531 . 1 1 47 47 GLU HB3 H 1 2.030 0.08 . 6 . . . . 47 E HB3 . 16954 1 532 . 1 1 47 47 GLU HG2 H 1 2.463 0.08 . 6 . . . . 47 E HG2 . 16954 1 533 . 1 1 47 47 GLU HG3 H 1 2.360 0.08 . 6 . . . . 47 E HG3 . 16954 1 534 . 1 1 47 47 GLU C C 13 177.183 0.42 . 6 . . . . 47 E CO . 16954 1 535 . 1 1 47 47 GLU CA C 13 57.549 0.42 . 6 . . . . 47 E CA . 16954 1 536 . 1 1 47 47 GLU CB C 13 29.244 0.42 . 6 . . . . 47 E CB . 16954 1 537 . 1 1 47 47 GLU CG C 13 35.557 0.42 . 6 . . . . 47 E CG . 16954 1 538 . 1 1 47 47 GLU N N 15 117.564 0.22 . 6 . . . . 47 E N . 16954 1 539 . 1 1 48 48 ALA H H 1 7.664 0.08 . 1 . . . . 48 A HN . 16954 1 540 . 1 1 48 48 ALA HA H 1 4.246 0.08 . 1 . . . . 48 A HA . 16954 1 541 . 1 1 48 48 ALA HB1 H 1 1.402 0.08 . 1 . . . . 48 A QB . 16954 1 542 . 1 1 48 48 ALA HB2 H 1 1.402 0.08 . 1 . . . . 48 A QB . 16954 1 543 . 1 1 48 48 ALA HB3 H 1 1.402 0.08 . 1 . . . . 48 A QB . 16954 1 544 . 1 1 48 48 ALA C C 13 177.767 0.42 . 1 . . . . 48 A CO . 16954 1 545 . 1 1 48 48 ALA CA C 13 52.953 0.42 . 1 . . . . 48 A CA . 16954 1 546 . 1 1 48 48 ALA CB C 13 18.757 0.42 . 1 . . . . 48 A CB . 16954 1 547 . 1 1 48 48 ALA N N 15 121.281 0.22 . 1 . . . . 48 A N . 16954 1 548 . 1 1 49 49 ARG H H 1 7.533 0.08 . 6 . . . . 49 R HN . 16954 1 549 . 1 1 49 49 ARG HA H 1 4.268 0.08 . 6 . . . . 49 R HA . 16954 1 550 . 1 1 49 49 ARG HB2 H 1 1.929 0.08 . 6 . . . . 49 R HB2 . 16954 1 551 . 1 1 49 49 ARG HB3 H 1 1.805 0.08 . 6 . . . . 49 R HB3 . 16954 1 552 . 1 1 49 49 ARG HD2 H 1 3.180 0.08 . 6 . . . . 49 R HD2 . 16954 1 553 . 1 1 49 49 ARG HD3 H 1 3.143 0.08 . 6 . . . . 49 R HD3 . 16954 1 554 . 1 1 49 49 ARG HE H 1 7.394 0.08 . 6 . . . . 49 R HE . 16954 1 555 . 1 1 49 49 ARG HG2 H 1 1.762 0.08 . 6 . . . . 49 R HG2 . 16954 1 556 . 1 1 49 49 ARG HG3 H 1 1.746 0.08 . 6 . . . . 49 R HG3 . 16954 1 557 . 1 1 49 49 ARG CA C 13 56.346 0.42 . 6 . . . . 49 R CA . 16954 1 558 . 1 1 49 49 ARG CB C 13 30.836 0.42 . 6 . . . . 49 R CB . 16954 1 559 . 1 1 49 49 ARG CD C 13 43.970 0.42 . 6 . . . . 49 R CD . 16954 1 560 . 1 1 49 49 ARG CG C 13 26.733 0.42 . 6 . . . . 49 R CG . 16954 1 561 . 1 1 49 49 ARG N N 15 118.381 0.22 . 6 . . . . 49 R N . 16954 1 562 . 1 1 49 49 ARG NE N 15 84.464 0.22 . 6 . . . . 49 R NE . 16954 1 563 . 1 1 50 50 ALA H H 1 7.715 0.08 . 6 . . . . 50 A HN . 16954 1 564 . 1 1 50 50 ALA HA H 1 4.099 0.08 . 6 . . . . 50 A HA . 16954 1 565 . 1 1 50 50 ALA HB1 H 1 1.332 0.08 . 6 . . . . 50 A QB . 16954 1 566 . 1 1 50 50 ALA HB2 H 1 1.332 0.08 . 6 . . . . 50 A QB . 16954 1 567 . 1 1 50 50 ALA HB3 H 1 1.332 0.08 . 6 . . . . 50 A QB . 16954 1 568 . 1 1 50 50 ALA CA C 13 53.777 0.42 . 6 . . . . 50 A CA . 16954 1 569 . 1 1 50 50 ALA CB C 13 19.959 0.42 . 6 . . . . 50 A CB . 16954 1 570 . 1 1 50 50 ALA N N 15 129.133 0.22 . 6 . . . . 50 A N . 16954 1 571 . 2 1 2 2 ALA H H 1 8.505 0.08 . 6 . . . . 102 A HN . 16954 1 572 . 2 1 2 2 ALA HA H 1 4.328 0.08 . 6 . . . . 102 A HA . 16954 1 573 . 2 1 2 2 ALA HB1 H 1 1.376 0.08 . 6 . . . . 102 A QB . 16954 1 574 . 2 1 2 2 ALA HB2 H 1 1.376 0.08 . 6 . . . . 102 A QB . 16954 1 575 . 2 1 2 2 ALA HB3 H 1 1.376 0.08 . 6 . . . . 102 A QB . 16954 1 576 . 2 1 2 2 ALA CA C 13 52.572 0.42 . 6 . . . . 102 A CA . 16954 1 577 . 2 1 6 6 MET H H 1 8.476 0.08 . 6 . . . . 106 M HN . 16954 1 578 . 2 1 6 6 MET N N 15 122.074 0.22 . 6 . . . . 106 M N . 16954 1 579 . 2 1 8 8 HIS H H 1 8.464 0.08 . 6 . . . . 108 H HN . 16954 1 580 . 2 1 8 8 HIS HA H 1 4.708 0.08 . 6 . . . . 108 H HA . 16954 1 581 . 2 1 8 8 HIS HB2 H 1 3.239 0.08 . 6 . . . . 108 H HB2 . 16954 1 582 . 2 1 8 8 HIS HB3 H 1 3.070 0.08 . 6 . . . . 108 H HB3 . 16954 1 583 . 2 1 8 8 HIS C C 13 173.944 0.42 . 6 . . . . 108 H CO . 16954 1 584 . 2 1 8 8 HIS CA C 13 55.149 0.42 . 6 . . . . 108 H CA . 16954 1 585 . 2 1 8 8 HIS CB C 13 29.006 0.42 . 6 . . . . 108 H CB . 16954 1 586 . 2 1 8 8 HIS N N 15 120.326 0.22 . 6 . . . . 108 H N . 16954 1 587 . 2 1 9 9 ILE H H 1 8.073 0.08 . 6 . . . . 109 I HN . 16954 1 588 . 2 1 9 9 ILE HA H 1 4.042 0.08 . 6 . . . . 109 I HA . 16954 1 589 . 2 1 9 9 ILE HB H 1 1.699 0.08 . 6 . . . . 109 I HB . 16954 1 590 . 2 1 9 9 ILE HD11 H 1 0.702 0.08 . 6 . . . . 109 I QD1 . 16954 1 591 . 2 1 9 9 ILE HD12 H 1 0.702 0.08 . 6 . . . . 109 I QD1 . 16954 1 592 . 2 1 9 9 ILE HD13 H 1 0.702 0.08 . 6 . . . . 109 I QD1 . 16954 1 593 . 2 1 9 9 ILE HG12 H 1 1.267 0.08 . 6 . . . . 109 I HG12 . 16954 1 594 . 2 1 9 9 ILE HG13 H 1 1.105 0.08 . 6 . . . . 109 I HG13 . 16954 1 595 . 2 1 9 9 ILE HG21 H 1 0.725 0.08 . 6 . . . . 109 I HG2 . 16954 1 596 . 2 1 9 9 ILE HG22 H 1 0.725 0.08 . 6 . . . . 109 I HG2 . 16954 1 597 . 2 1 9 9 ILE HG23 H 1 0.725 0.08 . 6 . . . . 109 I HG2 . 16954 1 598 . 2 1 9 9 ILE CA C 13 60.615 0.42 . 6 . . . . 109 I CA . 16954 1 599 . 2 1 9 9 ILE CB C 13 38.055 0.42 . 6 . . . . 109 I CB . 16954 1 600 . 2 1 9 9 ILE CD1 C 13 12.735 0.42 . 6 . . . . 109 I CD1 . 16954 1 601 . 2 1 9 9 ILE CG1 C 13 27.324 0.42 . 6 . . . . 109 I CG1 . 16954 1 602 . 2 1 9 9 ILE CG2 C 13 18.295 0.42 . 6 . . . . 109 I CG2 . 16954 1 603 . 2 1 9 9 ILE N N 15 122.061 0.22 . 6 . . . . 109 I N . 16954 1 604 . 2 1 10 10 GLN H H 1 8.173 0.08 . 6 . . . . 110 Q HN . 16954 1 605 . 2 1 10 10 GLN HA H 1 4.446 0.08 . 6 . . . . 110 Q HA . 16954 1 606 . 2 1 10 10 GLN HB2 H 1 1.927 0.08 . 6 . . . . 110 Q HB2 . 16954 1 607 . 2 1 10 10 GLN HB3 H 1 1.784 0.08 . 6 . . . . 110 Q HB3 . 16954 1 608 . 2 1 10 10 GLN HG2 H 1 2.210 0.08 . 6 . . . . 110 Q QG . 16954 1 609 . 2 1 10 10 GLN HG3 H 1 2.210 0.08 . 6 . . . . 110 Q QG . 16954 1 610 . 2 1 10 10 GLN C C 13 174.871 0.42 . 6 . . . . 110 Q CO . 16954 1 611 . 2 1 10 10 GLN CA C 13 53.989 0.42 . 6 . . . . 110 Q CA . 16954 1 612 . 2 1 10 10 GLN N N 15 124.996 0.22 . 6 . . . . 110 Q N . 16954 1 613 . 2 1 11 11 ILE H H 1 8.552 0.08 . 6 . . . . 111 I HN . 16954 1 614 . 2 1 11 11 ILE HA H 1 4.119 0.08 . 6 . . . . 111 I HA . 16954 1 615 . 2 1 11 11 ILE HB H 1 1.941 0.08 . 6 . . . . 111 I HB . 16954 1 616 . 2 1 11 11 ILE HD11 H 1 0.720 0.08 . 6 . . . . 111 I QD1 . 16954 1 617 . 2 1 11 11 ILE HD12 H 1 0.720 0.08 . 6 . . . . 111 I QD1 . 16954 1 618 . 2 1 11 11 ILE HD13 H 1 0.720 0.08 . 6 . . . . 111 I QD1 . 16954 1 619 . 2 1 11 11 ILE HG12 H 1 1.518 0.08 . 6 . . . . 111 I HG12 . 16954 1 620 . 2 1 11 11 ILE HG13 H 1 1.209 0.08 . 6 . . . . 111 I HG13 . 16954 1 621 . 2 1 11 11 ILE HG21 H 1 0.934 0.08 . 6 . . . . 111 I QG2 . 16954 1 622 . 2 1 11 11 ILE HG22 H 1 0.934 0.08 . 6 . . . . 111 I QG2 . 16954 1 623 . 2 1 11 11 ILE HG23 H 1 0.934 0.08 . 6 . . . . 111 I QG2 . 16954 1 624 . 2 1 11 11 ILE CB C 13 37.132 0.42 . 6 . . . . 111 I CB . 16954 1 625 . 2 1 11 11 ILE CD1 C 13 11.852 0.42 . 6 . . . . 111 I CD1 . 16954 1 626 . 2 1 11 11 ILE CG1 C 13 27.032 0.42 . 6 . . . . 111 I CG1 . 16954 1 627 . 2 1 11 11 ILE CG2 C 13 17.781 0.42 . 6 . . . . 111 I CG2 . 16954 1 628 . 2 1 11 11 ILE N N 15 124.116 0.22 . 6 . . . . 111 I N . 16954 1 629 . 2 1 12 12 PRO HD3 H 1 3.361 0.08 . 6 . . . . 112 P HD3 . 16954 1 630 . 2 1 12 12 PRO CD C 13 50.877 0.42 . 6 . . . . 112 P CD . 16954 1 631 . 2 1 13 13 PRO HA H 1 4.346 0.08 . 6 . . . . 113 P HA . 16954 1 632 . 2 1 13 13 PRO HB2 H 1 2.332 0.08 . 6 . . . . 113 P HB2 . 16954 1 633 . 2 1 13 13 PRO HB3 H 1 1.921 0.08 . 6 . . . . 113 P HB3 . 16954 1 634 . 2 1 13 13 PRO HD2 H 1 3.871 0.08 . 6 . . . . 113 P HD2 . 16954 1 635 . 2 1 13 13 PRO HD3 H 1 3.662 0.08 . 6 . . . . 113 P HD3 . 16954 1 636 . 2 1 13 13 PRO HG2 H 1 2.033 0.08 . 6 . . . . 113 P QG . 16954 1 637 . 2 1 13 13 PRO HG3 H 1 2.033 0.08 . 6 . . . . 113 P QG . 16954 1 638 . 2 1 13 13 PRO C C 13 177.329 0.42 . 6 . . . . 113 P CO . 16954 1 639 . 2 1 13 13 PRO CA C 13 63.904 0.42 . 6 . . . . 113 P CA . 16954 1 640 . 2 1 13 13 PRO CB C 13 31.682 0.42 . 6 . . . . 113 P CB . 16954 1 641 . 2 1 13 13 PRO CG C 13 27.640 0.42 . 6 . . . . 113 P CG . 16954 1 642 . 2 1 14 14 GLY H H 1 8.758 0.08 . 6 . . . . 114 G HN . 16954 1 643 . 2 1 14 14 GLY HA2 H 1 4.200 0.08 . 6 . . . . 114 G HA2 . 16954 1 644 . 2 1 14 14 GLY HA3 H 1 3.920 0.08 . 6 . . . . 114 G HA3 . 16954 1 645 . 2 1 14 14 GLY C C 13 175.538 0.42 . 6 . . . . 114 G CO . 16954 1 646 . 2 1 14 14 GLY CA C 13 45.463 0.42 . 6 . . . . 114 G CA . 16954 1 647 . 2 1 14 14 GLY N N 15 110.218 0.22 . 6 . . . . 114 G N . 16954 1 648 . 2 1 15 15 LEU H H 1 7.486 0.08 . 6 . . . . 115 L HN . 16954 1 649 . 2 1 15 15 LEU HA H 1 4.115 0.08 . 6 . . . . 115 L HA . 16954 1 650 . 2 1 15 15 LEU HB2 H 1 1.808 0.08 . 6 . . . . 115 L HB2 . 16954 1 651 . 2 1 15 15 LEU HD11 H 1 1.092 0.08 . 6 . . . . 115 L HD1 . 16954 1 652 . 2 1 15 15 LEU HD12 H 1 1.092 0.08 . 6 . . . . 115 L HD1 . 16954 1 653 . 2 1 15 15 LEU HD13 H 1 1.092 0.08 . 6 . . . . 115 L HD1 . 16954 1 654 . 2 1 15 15 LEU HD21 H 1 0.943 0.08 . 6 . . . . 115 L HD2 . 16954 1 655 . 2 1 15 15 LEU HD22 H 1 0.943 0.08 . 6 . . . . 115 L HD2 . 16954 1 656 . 2 1 15 15 LEU HD23 H 1 0.943 0.08 . 6 . . . . 115 L HD2 . 16954 1 657 . 2 1 15 15 LEU C C 13 177.747 0.42 . 6 . . . . 115 L CO . 16954 1 658 . 2 1 15 15 LEU CA C 13 58.397 0.42 . 6 . . . . 115 L CA . 16954 1 659 . 2 1 15 15 LEU CD1 C 13 24.387 0.42 . 6 . . . . 115 L CD1 . 16954 1 660 . 2 1 15 15 LEU CD2 C 13 25.879 0.42 . 6 . . . . 115 L CD2 . 16954 1 661 . 2 1 15 15 LEU N N 15 121.269 0.22 . 6 . . . . 115 L N . 16954 1 662 . 2 1 16 16 THR H H 1 8.560 0.08 . 6 . . . . 116 T HN . 16954 1 663 . 2 1 16 16 THR HA H 1 4.100 0.08 . 6 . . . . 116 T HA . 16954 1 664 . 2 1 16 16 THR HB H 1 3.482 0.08 . 6 . . . . 116 T HB . 16954 1 665 . 2 1 16 16 THR HG21 H 1 1.175 0.08 . 6 . . . . 116 T QG2 . 16954 1 666 . 2 1 16 16 THR HG22 H 1 1.175 0.08 . 6 . . . . 116 T QG2 . 16954 1 667 . 2 1 16 16 THR HG23 H 1 1.175 0.08 . 6 . . . . 116 T QG2 . 16954 1 668 . 2 1 16 16 THR C C 13 175.248 0.42 . 6 . . . . 116 T CO . 16954 1 669 . 2 1 16 16 THR CA C 13 68.355 0.42 . 6 . . . . 116 T CA . 16954 1 670 . 2 1 16 16 THR CB C 13 68.438 0.42 . 6 . . . . 116 T CB . 16954 1 671 . 2 1 16 16 THR CG2 C 13 21.802 0.42 . 6 . . . . 116 T CG2 . 16954 1 672 . 2 1 16 16 THR N N 15 115.641 0.22 . 6 . . . . 116 T N . 16954 1 673 . 2 1 17 17 GLU H H 1 9.271 0.08 . 6 . . . . 117 E HN . 16954 1 674 . 2 1 17 17 GLU HA H 1 4.015 0.08 . 6 . . . . 117 E HA . 16954 1 675 . 2 1 17 17 GLU HB2 H 1 2.148 0.08 . 6 . . . . 117 E HB2 . 16954 1 676 . 2 1 17 17 GLU HB3 H 1 2.004 0.08 . 6 . . . . 117 E HB3 . 16954 1 677 . 2 1 17 17 GLU HG2 H 1 2.574 0.08 . 6 . . . . 117 E HG2 . 16954 1 678 . 2 1 17 17 GLU C C 13 179.669 0.42 . 6 . . . . 117 E CO . 16954 1 679 . 2 1 17 17 GLU CA C 13 60.667 0.42 . 6 . . . . 117 E CA . 16954 1 680 . 2 1 17 17 GLU CB C 13 28.651 0.42 . 6 . . . . 117 E CB . 16954 1 681 . 2 1 17 17 GLU N N 15 121.061 0.22 . 6 . . . . 117 E N . 16954 1 682 . 2 1 18 18 LEU H H 1 7.827 0.08 . 6 . . . . 118 L HN . 16954 1 683 . 2 1 18 18 LEU HA H 1 4.372 0.08 . 6 . . . . 118 L HA . 16954 1 684 . 2 1 18 18 LEU HB2 H 1 2.141 0.08 . 6 . . . . 118 L HB2 . 16954 1 685 . 2 1 18 18 LEU HB3 H 1 1.944 0.08 . 6 . . . . 118 L HB3 . 16954 1 686 . 2 1 18 18 LEU HD11 H 1 1.056 0.08 . 6 . . . . 118 L HD1 . 16954 1 687 . 2 1 18 18 LEU HD12 H 1 1.056 0.08 . 6 . . . . 118 L HD1 . 16954 1 688 . 2 1 18 18 LEU HD13 H 1 1.056 0.08 . 6 . . . . 118 L HD1 . 16954 1 689 . 2 1 18 18 LEU HD21 H 1 0.975 0.08 . 6 . . . . 118 L HD2 . 16954 1 690 . 2 1 18 18 LEU HD22 H 1 0.975 0.08 . 6 . . . . 118 L HD2 . 16954 1 691 . 2 1 18 18 LEU HD23 H 1 0.975 0.08 . 6 . . . . 118 L HD2 . 16954 1 692 . 2 1 18 18 LEU HG H 1 1.968 0.08 . 6 . . . . 118 L HG . 16954 1 693 . 2 1 18 18 LEU C C 13 179.816 0.42 . 6 . . . . 118 L CO . 16954 1 694 . 2 1 18 18 LEU CA C 13 57.863 0.42 . 6 . . . . 118 L CA . 16954 1 695 . 2 1 18 18 LEU CB C 13 42.687 0.42 . 6 . . . . 118 L CB . 16954 1 696 . 2 1 18 18 LEU CD1 C 13 26.848 0.42 . 6 . . . . 118 L CD1 . 16954 1 697 . 2 1 18 18 LEU CD2 C 13 25.537 0.42 . 6 . . . . 118 L CD2 . 16954 1 698 . 2 1 18 18 LEU CG C 13 26.744 0.42 . 6 . . . . 118 L CG . 16954 1 699 . 2 1 18 18 LEU N N 15 121.451 0.22 . 6 . . . . 118 L N . 16954 1 700 . 2 1 19 19 LEU H H 1 8.312 0.08 . 6 . . . . 119 L HN . 16954 1 701 . 2 1 19 19 LEU HA H 1 4.136 0.08 . 6 . . . . 119 L HA . 16954 1 702 . 2 1 19 19 LEU HD11 H 1 1.016 0.08 . 6 . . . . 119 L HD1 . 16954 1 703 . 2 1 19 19 LEU HD12 H 1 1.016 0.08 . 6 . . . . 119 L HD1 . 16954 1 704 . 2 1 19 19 LEU HD13 H 1 1.016 0.08 . 6 . . . . 119 L HD1 . 16954 1 705 . 2 1 19 19 LEU HD21 H 1 0.960 0.08 . 6 . . . . 119 L HD2 . 16954 1 706 . 2 1 19 19 LEU HD22 H 1 0.960 0.08 . 6 . . . . 119 L HD2 . 16954 1 707 . 2 1 19 19 LEU HD23 H 1 0.960 0.08 . 6 . . . . 119 L HD2 . 16954 1 708 . 2 1 19 19 LEU C C 13 180.174 0.42 . 6 . . . . 119 L CO . 16954 1 709 . 2 1 19 19 LEU CA C 13 57.967 0.42 . 6 . . . . 119 L CA . 16954 1 710 . 2 1 19 19 LEU CD1 C 13 22.589 0.42 . 6 . . . . 119 L CD1 . 16954 1 711 . 2 1 19 19 LEU CD2 C 13 25.955 0.42 . 6 . . . . 119 L CD2 . 16954 1 712 . 2 1 19 19 LEU N N 15 116.979 0.22 . 6 . . . . 119 L N . 16954 1 713 . 2 1 20 20 GLN H H 1 9.116 0.08 . 6 . . . . 120 Q HN . 16954 1 714 . 2 1 20 20 GLN HA H 1 3.712 0.08 . 6 . . . . 120 Q HA . 16954 1 715 . 2 1 20 20 GLN HB2 H 1 2.255 0.08 . 6 . . . . 120 Q HB2 . 16954 1 716 . 2 1 20 20 GLN HB3 H 1 1.930 0.08 . 6 . . . . 120 Q HB3 . 16954 1 717 . 2 1 20 20 GLN HG2 H 1 1.978 0.08 . 6 . . . . 120 Q HG2 . 16954 1 718 . 2 1 20 20 GLN HG3 H 1 1.941 0.08 . 6 . . . . 120 Q HG3 . 16954 1 719 . 2 1 20 20 GLN C C 13 177.444 0.42 . 6 . . . . 120 Q CO . 16954 1 720 . 2 1 20 20 GLN CA C 13 59.669 0.42 . 6 . . . . 120 Q CA . 16954 1 721 . 2 1 20 20 GLN CB C 13 27.706 0.42 . 6 . . . . 120 Q CB . 16954 1 722 . 2 1 20 20 GLN CG C 13 32.654 0.42 . 6 . . . . 120 Q CG . 16954 1 723 . 2 1 20 20 GLN N N 15 122.704 0.22 . 6 . . . . 120 Q N . 16954 1 724 . 2 1 21 21 GLY H H 1 8.168 0.08 . 6 . . . . 121 G HN . 16954 1 725 . 2 1 21 21 GLY HA2 H 1 4.072 0.08 . 6 . . . . 121 G HA2 . 16954 1 726 . 2 1 21 21 GLY HA3 H 1 3.694 0.08 . 6 . . . . 121 G HA3 . 16954 1 727 . 2 1 21 21 GLY C C 13 175.830 0.42 . 6 . . . . 121 G CO . 16954 1 728 . 2 1 21 21 GLY CA C 13 47.847 0.42 . 6 . . . . 121 G CA . 16954 1 729 . 2 1 21 21 GLY N N 15 105.825 0.22 . 6 . . . . 121 G N . 16954 1 730 . 2 1 22 22 TYR H H 1 7.256 0.08 . 6 . . . . 122 Y HN . 16954 1 731 . 2 1 22 22 TYR HA H 1 2.776 0.08 . 6 . . . . 122 Y HA . 16954 1 732 . 2 1 22 22 TYR HB2 H 1 2.756 0.08 . 6 . . . . 122 Y HB2 . 16954 1 733 . 2 1 22 22 TYR HB3 H 1 2.626 0.08 . 6 . . . . 122 Y HB3 . 16954 1 734 . 2 1 22 22 TYR HD1 H 1 6.391 0.08 . 6 . . . . 122 Y QD . 16954 1 735 . 2 1 22 22 TYR HD2 H 1 6.391 0.08 . 6 . . . . 122 Y QD . 16954 1 736 . 2 1 22 22 TYR HE1 H 1 6.259 0.08 . 6 . . . . 122 Y QE . 16954 1 737 . 2 1 22 22 TYR HE2 H 1 6.259 0.08 . 6 . . . . 122 Y QE . 16954 1 738 . 2 1 22 22 TYR C C 13 175.622 0.42 . 6 . . . . 122 Y CO . 16954 1 739 . 2 1 22 22 TYR CA C 13 60.719 0.42 . 6 . . . . 122 Y CA . 16954 1 740 . 2 1 22 22 TYR CD1 C 13 132.499 0.42 . 6 . . . . 122 Y CD . 16954 1 741 . 2 1 22 22 TYR CD2 C 13 132.499 0.42 . 6 . . . . 122 Y CD . 16954 1 742 . 2 1 22 22 TYR CE1 C 13 117.728 0.42 . 6 . . . . 122 Y CE . 16954 1 743 . 2 1 22 22 TYR CE2 C 13 117.728 0.42 . 6 . . . . 122 Y CE . 16954 1 744 . 2 1 22 22 TYR N N 15 119.860 0.22 . 6 . . . . 122 Y N . 16954 1 745 . 2 1 23 23 THR H H 1 7.866 0.08 . 6 . . . . 123 T HN . 16954 1 746 . 2 1 23 23 THR HA H 1 3.180 0.08 . 6 . . . . 123 T HA . 16954 1 747 . 2 1 23 23 THR HB H 1 3.948 0.08 . 6 . . . . 123 T HB . 16954 1 748 . 2 1 23 23 THR HG21 H 1 1.026 0.08 . 6 . . . . 123 T QG2 . 16954 1 749 . 2 1 23 23 THR HG22 H 1 1.026 0.08 . 6 . . . . 123 T QG2 . 16954 1 750 . 2 1 23 23 THR HG23 H 1 1.026 0.08 . 6 . . . . 123 T QG2 . 16954 1 751 . 2 1 23 23 THR C C 13 176.073 0.42 . 6 . . . . 123 T CO . 16954 1 752 . 2 1 23 23 THR CA C 13 68.496 0.42 . 6 . . . . 123 T CA . 16954 1 753 . 2 1 23 23 THR CB C 13 68.009 0.42 . 6 . . . . 123 T CB . 16954 1 754 . 2 1 23 23 THR CG2 C 13 21.804 0.42 . 6 . . . . 123 T CG2 . 16954 1 755 . 2 1 23 23 THR N N 15 115.938 0.22 . 6 . . . . 123 T N . 16954 1 756 . 2 1 24 24 VAL H H 1 8.536 0.08 . 6 . . . . 124 V HN . 16954 1 757 . 2 1 24 24 VAL HA H 1 3.131 0.08 . 6 . . . . 124 V HA . 16954 1 758 . 2 1 24 24 VAL HB H 1 2.076 0.08 . 6 . . . . 124 V HB . 16954 1 759 . 2 1 24 24 VAL HG11 H 1 0.785 0.08 . 6 . . . . 124 V HG1 . 16954 1 760 . 2 1 24 24 VAL HG12 H 1 0.785 0.08 . 6 . . . . 124 V HG1 . 16954 1 761 . 2 1 24 24 VAL HG13 H 1 0.785 0.08 . 6 . . . . 124 V HG1 . 16954 1 762 . 2 1 24 24 VAL HG21 H 1 0.746 0.08 . 6 . . . . 124 V HG2 . 16954 1 763 . 2 1 24 24 VAL HG22 H 1 0.746 0.08 . 6 . . . . 124 V HG2 . 16954 1 764 . 2 1 24 24 VAL HG23 H 1 0.746 0.08 . 6 . . . . 124 V HG2 . 16954 1 765 . 2 1 24 24 VAL C C 13 177.275 0.42 . 6 . . . . 124 V CO . 16954 1 766 . 2 1 24 24 VAL CA C 13 67.575 0.42 . 6 . . . . 124 V CA . 16954 1 767 . 2 1 24 24 VAL CG1 C 13 21.812 0.42 . 6 . . . . 124 V CG1 . 16954 1 768 . 2 1 24 24 VAL CG2 C 13 24.310 0.42 . 6 . . . . 124 V CG2 . 16954 1 769 . 2 1 24 24 VAL N N 15 120.679 0.22 . 6 . . . . 124 V N . 16954 1 770 . 2 1 25 25 GLU H H 1 7.185 0.08 . 6 . . . . 125 E HN . 16954 1 771 . 2 1 25 25 GLU HA H 1 4.193 0.08 . 6 . . . . 125 E HA . 16954 1 772 . 2 1 25 25 GLU HB2 H 1 2.140 0.08 . 6 . . . . 125 E HB2 . 16954 1 773 . 2 1 25 25 GLU HB3 H 1 1.906 0.08 . 6 . . . . 125 E HB3 . 16954 1 774 . 2 1 25 25 GLU HG2 H 1 2.534 0.08 . 6 . . . . 125 E QG . 16954 1 775 . 2 1 25 25 GLU HG3 H 1 2.534 0.08 . 6 . . . . 125 E QG . 16954 1 776 . 2 1 25 25 GLU C C 13 178.980 0.42 . 6 . . . . 125 E CO . 16954 1 777 . 2 1 25 25 GLU CA C 13 58.844 0.42 . 6 . . . . 125 E CA . 16954 1 778 . 2 1 25 25 GLU CB C 13 28.299 0.42 . 6 . . . . 125 E CB . 16954 1 779 . 2 1 25 25 GLU CG C 13 36.169 0.42 . 6 . . . . 125 E CG . 16954 1 780 . 2 1 25 25 GLU N N 15 116.841 0.22 . 6 . . . . 125 E N . 16954 1 781 . 2 1 26 26 VAL H H 1 8.159 0.08 . 6 . . . . 126 V HN . 16954 1 782 . 2 1 26 26 VAL HA H 1 2.696 0.08 . 6 . . . . 126 V HA . 16954 1 783 . 2 1 26 26 VAL HB H 1 1.839 0.08 . 6 . . . . 126 V HB . 16954 1 784 . 2 1 26 26 VAL HG11 H 1 0.564 0.08 . 6 . . . . 126 V HG1 . 16954 1 785 . 2 1 26 26 VAL HG12 H 1 0.564 0.08 . 6 . . . . 126 V HG1 . 16954 1 786 . 2 1 26 26 VAL HG13 H 1 0.564 0.08 . 6 . . . . 126 V HG1 . 16954 1 787 . 2 1 26 26 VAL HG21 H 1 0.210 0.08 . 6 . . . . 126 V HG2 . 16954 1 788 . 2 1 26 26 VAL HG22 H 1 0.210 0.08 . 6 . . . . 126 V HG2 . 16954 1 789 . 2 1 26 26 VAL HG23 H 1 0.210 0.08 . 6 . . . . 126 V HG2 . 16954 1 790 . 2 1 26 26 VAL C C 13 178.746 0.42 . 6 . . . . 126 V CO . 16954 1 791 . 2 1 26 26 VAL CA C 13 66.335 0.42 . 6 . . . . 126 V CA . 16954 1 792 . 2 1 26 26 VAL CB C 13 30.992 0.42 . 6 . . . . 126 V CB . 16954 1 793 . 2 1 26 26 VAL CG1 C 13 22.971 0.42 . 6 . . . . 126 V CG1 . 16954 1 794 . 2 1 26 26 VAL CG2 C 13 23.567 0.42 . 6 . . . . 126 V CG2 . 16954 1 795 . 2 1 26 26 VAL N N 15 120.642 0.22 . 6 . . . . 126 V N . 16954 1 796 . 2 1 27 27 LEU H H 1 8.032 0.08 . 6 . . . . 127 L HN . 16954 1 797 . 2 1 27 27 LEU HA H 1 3.861 0.08 . 6 . . . . 127 L HA . 16954 1 798 . 2 1 27 27 LEU HB2 H 1 1.902 0.08 . 6 . . . . 127 L HB2 . 16954 1 799 . 2 1 27 27 LEU HB3 H 1 1.189 0.08 . 6 . . . . 127 L HB3 . 16954 1 800 . 2 1 27 27 LEU HD11 H 1 0.668 0.08 . 6 . . . . 127 L HD1 . 16954 1 801 . 2 1 27 27 LEU HD12 H 1 0.668 0.08 . 6 . . . . 127 L HD1 . 16954 1 802 . 2 1 27 27 LEU HD13 H 1 0.668 0.08 . 6 . . . . 127 L HD1 . 16954 1 803 . 2 1 27 27 LEU HD21 H 1 0.683 0.08 . 6 . . . . 127 L HD2 . 16954 1 804 . 2 1 27 27 LEU HD22 H 1 0.683 0.08 . 6 . . . . 127 L HD2 . 16954 1 805 . 2 1 27 27 LEU HD23 H 1 0.683 0.08 . 6 . . . . 127 L HD2 . 16954 1 806 . 2 1 27 27 LEU HG H 1 1.159 0.08 . 6 . . . . 127 L HG . 16954 1 807 . 2 1 27 27 LEU C C 13 178.840 0.42 . 6 . . . . 127 L CO . 16954 1 808 . 2 1 27 27 LEU CA C 13 57.429 0.42 . 6 . . . . 127 L CA . 16954 1 809 . 2 1 27 27 LEU CB C 13 41.244 0.42 . 6 . . . . 127 L CB . 16954 1 810 . 2 1 27 27 LEU CD1 C 13 26.254 0.42 . 6 . . . . 127 L CD1 . 16954 1 811 . 2 1 27 27 LEU CD2 C 13 23.141 0.42 . 6 . . . . 127 L CD2 . 16954 1 812 . 2 1 27 27 LEU N N 15 119.632 0.22 . 6 . . . . 127 L N . 16954 1 813 . 2 1 28 28 ARG H H 1 8.209 0.08 . 6 . . . . 128 R HN . 16954 1 814 . 2 1 28 28 ARG HA H 1 4.014 0.08 . 6 . . . . 128 R HA . 16954 1 815 . 2 1 28 28 ARG HB2 H 1 1.819 0.08 . 6 . . . . 128 R QB . 16954 1 816 . 2 1 28 28 ARG HB3 H 1 1.819 0.08 . 6 . . . . 128 R QB . 16954 1 817 . 2 1 28 28 ARG HD2 H 1 3.083 0.08 . 6 . . . . 128 R QD . 16954 1 818 . 2 1 28 28 ARG HD3 H 1 3.083 0.08 . 6 . . . . 128 R QD . 16954 1 819 . 2 1 28 28 ARG HE H 1 7.558 0.08 . 6 . . . . 128 R HE . 16954 1 820 . 2 1 28 28 ARG HG2 H 1 1.494 0.08 . 6 . . . . 128 R HG2 . 16954 1 821 . 2 1 28 28 ARG HG3 H 1 1.504 0.08 . 6 . . . . 128 R HG3 . 16954 1 822 . 2 1 28 28 ARG C C 13 178.285 0.42 . 6 . . . . 128 R CO . 16954 1 823 . 2 1 28 28 ARG CA C 13 59.270 0.42 . 6 . . . . 128 R CA . 16954 1 824 . 2 1 28 28 ARG CB C 13 31.931 0.42 . 6 . . . . 128 R CB . 16954 1 825 . 2 1 28 28 ARG CD C 13 43.838 0.42 . 6 . . . . 128 R CD . 16954 1 826 . 2 1 28 28 ARG CG C 13 27.590 0.42 . 6 . . . . 128 R CG . 16954 1 827 . 2 1 28 28 ARG N N 15 116.446 0.22 . 6 . . . . 128 R N . 16954 1 828 . 2 1 28 28 ARG NE N 15 83.634 0.22 . 6 . . . . 128 R NE . 16954 1 829 . 2 1 29 29 GLN H H 1 8.496 0.08 . 6 . . . . 129 Q HN . 16954 1 830 . 2 1 29 29 GLN HA H 1 4.160 0.08 . 6 . . . . 129 Q HA . 16954 1 831 . 2 1 29 29 GLN HB2 H 1 1.960 0.08 . 6 . . . . 129 Q HB2 . 16954 1 832 . 2 1 29 29 GLN HB3 H 1 1.479 0.08 . 6 . . . . 129 Q HB3 . 16954 1 833 . 2 1 29 29 GLN HE21 H 1 8.152 0.08 . 6 . . . . 129 Q HE21 . 16954 1 834 . 2 1 29 29 GLN HE22 H 1 6.876 0.08 . 6 . . . . 129 Q HE22 . 16954 1 835 . 2 1 29 29 GLN HG2 H 1 2.490 0.08 . 6 . . . . 129 Q HG2 . 16954 1 836 . 2 1 29 29 GLN HG3 H 1 2.224 0.08 . 6 . . . . 129 Q HG3 . 16954 1 837 . 2 1 29 29 GLN C C 13 175.785 0.42 . 6 . . . . 129 Q CO . 16954 1 838 . 2 1 29 29 GLN N N 15 114.939 0.22 . 6 . . . . 129 Q N . 16954 1 839 . 2 1 29 29 GLN NE2 N 15 113.142 0.22 . 6 . . . . 129 Q NE2 . 16954 1 840 . 2 1 30 30 GLN H H 1 8.111 0.08 . 6 . . . . 130 Q HN . 16954 1 841 . 2 1 30 30 GLN HA H 1 3.767 0.08 . 6 . . . . 130 Q HA . 16954 1 842 . 2 1 30 30 GLN HB2 H 1 2.126 0.08 . 6 . . . . 130 Q QB . 16954 1 843 . 2 1 30 30 GLN HB3 H 1 2.126 0.08 . 6 . . . . 130 Q QB . 16954 1 844 . 2 1 30 30 GLN HE21 H 1 7.599 0.08 . 6 . . . . 130 Q HE21 . 16954 1 845 . 2 1 30 30 GLN HE22 H 1 6.891 0.08 . 6 . . . . 130 Q HE22 . 16954 1 846 . 2 1 30 30 GLN CA C 13 55.584 0.42 . 6 . . . . 130 Q CA . 16954 1 847 . 2 1 30 30 GLN N N 15 114.018 0.22 . 6 . . . . 130 Q N . 16954 1 848 . 2 1 30 30 GLN NE2 N 15 112.255 0.22 . 6 . . . . 130 Q NE2 . 16954 1 849 . 2 1 31 31 PRO HA H 1 4.548 0.08 . 6 . . . . 131 P HA . 16954 1 850 . 2 1 31 31 PRO HB2 H 1 1.713 0.08 . 6 . . . . 131 P HB2 . 16954 1 851 . 2 1 31 31 PRO HB3 H 1 1.675 0.08 . 6 . . . . 131 P HB3 . 16954 1 852 . 2 1 31 31 PRO HD2 H 1 3.385 0.08 . 6 . . . . 131 P HD2 . 16954 1 853 . 2 1 31 31 PRO HD3 H 1 2.804 0.08 . 6 . . . . 131 P HD3 . 16954 1 854 . 2 1 31 31 PRO HG2 H 1 1.418 0.08 . 6 . . . . 131 P QG . 16954 1 855 . 2 1 31 31 PRO HG3 H 1 1.418 0.08 . 6 . . . . 131 P QG . 16954 1 856 . 2 1 31 31 PRO CA C 13 60.659 0.42 . 6 . . . . 131 P CA . 16954 1 857 . 2 1 31 31 PRO CB C 13 31.432 0.42 . 6 . . . . 131 P CB . 16954 1 858 . 2 1 31 31 PRO CD C 13 50.720 0.42 . 6 . . . . 131 P CD . 16954 1 859 . 2 1 31 31 PRO CG C 13 25.944 0.42 . 6 . . . . 131 P CG . 16954 1 860 . 2 1 32 32 PRO HA H 1 4.339 0.08 . 6 . . . . 132 P HA . 16954 1 861 . 2 1 32 32 PRO HB2 H 1 2.277 0.08 . 6 . . . . 132 P HB2 . 16954 1 862 . 2 1 32 32 PRO HB3 H 1 1.937 0.08 . 6 . . . . 132 P HB3 . 16954 1 863 . 2 1 32 32 PRO HD2 H 1 3.769 0.08 . 6 . . . . 132 P HD2 . 16954 1 864 . 2 1 32 32 PRO HD3 H 1 3.730 0.08 . 6 . . . . 132 P HD3 . 16954 1 865 . 2 1 32 32 PRO HG2 H 1 2.038 0.08 . 6 . . . . 132 P QG . 16954 1 866 . 2 1 32 32 PRO HG3 H 1 2.038 0.08 . 6 . . . . 132 P QG . 16954 1 867 . 2 1 32 32 PRO C C 13 176.667 0.42 . 6 . . . . 132 P CO . 16954 1 868 . 2 1 32 32 PRO CA C 13 63.889 0.42 . 6 . . . . 132 P CA . 16954 1 869 . 2 1 32 32 PRO CB C 13 31.937 0.42 . 6 . . . . 132 P CB . 16954 1 870 . 2 1 32 32 PRO CD C 13 50.507 0.42 . 6 . . . . 132 P CD . 16954 1 871 . 2 1 32 32 PRO CG C 13 27.279 0.42 . 6 . . . . 132 P CG . 16954 1 872 . 2 1 33 33 ASP H H 1 7.472 0.08 . 6 . . . . 133 D HN . 16954 1 873 . 2 1 33 33 ASP HA H 1 4.942 0.08 . 6 . . . . 133 D HA . 16954 1 874 . 2 1 33 33 ASP HB2 H 1 2.894 0.08 . 6 . . . . 133 D HB2 . 16954 1 875 . 2 1 33 33 ASP HB3 H 1 2.501 0.08 . 6 . . . . 133 D HB3 . 16954 1 876 . 2 1 33 33 ASP CA C 13 52.173 0.42 . 6 . . . . 133 D CA . 16954 1 877 . 2 1 33 33 ASP CB C 13 42.434 0.42 . 6 . . . . 133 D CB . 16954 1 878 . 2 1 33 33 ASP N N 15 115.990 0.22 . 6 . . . . 133 D N . 16954 1 879 . 2 1 34 34 LEU H H 1 9.020 0.08 . 6 . . . . 134 L HN . 16954 1 880 . 2 1 34 34 LEU HA H 1 3.818 0.08 . 6 . . . . 134 L HA . 16954 1 881 . 2 1 34 34 LEU HB2 H 1 1.802 0.08 . 6 . . . . 134 L HB2 . 16954 1 882 . 2 1 34 34 LEU HB3 H 1 1.598 0.08 . 6 . . . . 134 L HB3 . 16954 1 883 . 2 1 34 34 LEU HD11 H 1 0.816 0.08 . 6 . . . . 134 L HD1 . 16954 1 884 . 2 1 34 34 LEU HD12 H 1 0.816 0.08 . 6 . . . . 134 L HD1 . 16954 1 885 . 2 1 34 34 LEU HD13 H 1 0.816 0.08 . 6 . . . . 134 L HD1 . 16954 1 886 . 2 1 34 34 LEU HD21 H 1 0.745 0.08 . 6 . . . . 134 L HD2 . 16954 1 887 . 2 1 34 34 LEU HD22 H 1 0.745 0.08 . 6 . . . . 134 L HD2 . 16954 1 888 . 2 1 34 34 LEU HD23 H 1 0.745 0.08 . 6 . . . . 134 L HD2 . 16954 1 889 . 2 1 34 34 LEU HG H 1 1.851 0.08 . 6 . . . . 134 L HG . 16954 1 890 . 2 1 34 34 LEU CA C 13 58.431 0.42 . 6 . . . . 134 L CA . 16954 1 891 . 2 1 34 34 LEU CB C 13 42.241 0.42 . 6 . . . . 134 L CB . 16954 1 892 . 2 1 34 34 LEU CD1 C 13 25.856 0.42 . 6 . . . . 134 L CD1 . 16954 1 893 . 2 1 34 34 LEU CD2 C 13 23.725 0.42 . 6 . . . . 134 L CD2 . 16954 1 894 . 2 1 34 34 LEU CG C 13 26.943 0.42 . 6 . . . . 134 L CG . 16954 1 895 . 2 1 34 34 LEU N N 15 125.823 0.22 . 6 . . . . 134 L N . 16954 1 896 . 2 1 35 35 VAL H H 1 8.153 0.08 . 6 . . . . 135 V HN . 16954 1 897 . 2 1 35 35 VAL HA H 1 3.572 0.08 . 6 . . . . 135 V HA . 16954 1 898 . 2 1 35 35 VAL HB H 1 2.286 0.08 . 6 . . . . 135 V HB . 16954 1 899 . 2 1 35 35 VAL HG11 H 1 1.140 0.08 . 6 . . . . 135 V HG1 . 16954 1 900 . 2 1 35 35 VAL HG12 H 1 1.140 0.08 . 6 . . . . 135 V HG1 . 16954 1 901 . 2 1 35 35 VAL HG13 H 1 1.140 0.08 . 6 . . . . 135 V HG1 . 16954 1 902 . 2 1 35 35 VAL HG21 H 1 0.974 0.08 . 6 . . . . 135 V HG2 . 16954 1 903 . 2 1 35 35 VAL HG22 H 1 0.974 0.08 . 6 . . . . 135 V HG2 . 16954 1 904 . 2 1 35 35 VAL HG23 H 1 0.974 0.08 . 6 . . . . 135 V HG2 . 16954 1 905 . 2 1 35 35 VAL C C 13 177.450 0.42 . 6 . . . . 135 V CO . 16954 1 906 . 2 1 35 35 VAL CA C 13 66.863 0.42 . 6 . . . . 135 V CA . 16954 1 907 . 2 1 35 35 VAL CB C 13 31.686 0.42 . 6 . . . . 135 V CB . 16954 1 908 . 2 1 35 35 VAL CG2 C 13 24.094 0.42 . 6 . . . . 135 V CG2 . 16954 1 909 . 2 1 35 35 VAL N N 15 121.256 0.22 . 6 . . . . 135 V N . 16954 1 910 . 2 1 36 36 GLU H H 1 8.144 0.08 . 6 . . . . 136 E HN . 16954 1 911 . 2 1 36 36 GLU HA H 1 3.954 0.08 . 6 . . . . 136 E HA . 16954 1 912 . 2 1 36 36 GLU HB2 H 1 2.071 0.08 . 6 . . . . 136 E HB2 . 16954 1 913 . 2 1 36 36 GLU HB3 H 1 1.828 0.08 . 6 . . . . 136 E HB3 . 16954 1 914 . 2 1 36 36 GLU HG2 H 1 2.462 0.08 . 6 . . . . 136 E HG2 . 16954 1 915 . 2 1 36 36 GLU HG3 H 1 2.340 0.08 . 6 . . . . 136 E HG3 . 16954 1 916 . 2 1 36 36 GLU CA C 13 58.703 0.42 . 6 . . . . 136 E CA . 16954 1 917 . 2 1 36 36 GLU CB C 13 28.477 0.42 . 6 . . . . 136 E CB . 16954 1 918 . 2 1 36 36 GLU CG C 13 33.716 0.42 . 6 . . . . 136 E CG . 16954 1 919 . 2 1 36 36 GLU N N 15 120.617 0.22 . 6 . . . . 136 E N . 16954 1 920 . 2 1 37 37 PHE H H 1 8.126 0.08 . 6 . . . . 137 F HN . 16954 1 921 . 2 1 37 37 PHE HA H 1 4.211 0.08 . 6 . . . . 137 F HA . 16954 1 922 . 2 1 37 37 PHE HB2 H 1 3.203 0.08 . 6 . . . . 137 F HB2 . 16954 1 923 . 2 1 37 37 PHE HB3 H 1 2.775 0.08 . 6 . . . . 137 F HB3 . 16954 1 924 . 2 1 37 37 PHE HD1 H 1 7.090 0.08 . 6 . . . . 137 F QD . 16954 1 925 . 2 1 37 37 PHE HD2 H 1 7.090 0.08 . 6 . . . . 137 F QD . 16954 1 926 . 2 1 37 37 PHE HE1 H 1 6.975 0.08 . 6 . . . . 137 F QE . 16954 1 927 . 2 1 37 37 PHE HE2 H 1 6.975 0.08 . 6 . . . . 137 F QE . 16954 1 928 . 2 1 37 37 PHE HZ H 1 7.057 0.08 . 6 . . . . 137 F HZ . 16954 1 929 . 2 1 37 37 PHE CA C 13 61.657 0.42 . 6 . . . . 137 F CA . 16954 1 930 . 2 1 37 37 PHE CB C 13 39.779 0.42 . 6 . . . . 137 F CB . 16954 1 931 . 2 1 37 37 PHE CD1 C 13 132.270 0.42 . 6 . . . . 137 F CD . 16954 1 932 . 2 1 37 37 PHE CD2 C 13 132.270 0.42 . 6 . . . . 137 F CD . 16954 1 933 . 2 1 37 37 PHE CE1 C 13 130.673 0.42 . 6 . . . . 137 F CE . 16954 1 934 . 2 1 37 37 PHE CE2 C 13 130.673 0.42 . 6 . . . . 137 F CE . 16954 1 935 . 2 1 37 37 PHE CZ C 13 129.678 0.42 . 6 . . . . 137 F CZ . 16954 1 936 . 2 1 38 38 ALA H H 1 7.885 0.08 . 6 . . . . 138 A HN . 16954 1 937 . 2 1 38 38 ALA HA H 1 3.744 0.08 . 6 . . . . 138 A HA . 16954 1 938 . 2 1 38 38 ALA HB1 H 1 0.590 0.08 . 6 . . . . 138 A QB . 16954 1 939 . 2 1 38 38 ALA HB2 H 1 0.590 0.08 . 6 . . . . 138 A QB . 16954 1 940 . 2 1 38 38 ALA HB3 H 1 0.590 0.08 . 6 . . . . 138 A QB . 16954 1 941 . 2 1 38 38 ALA C C 13 178.861 0.42 . 6 . . . . 138 A CO . 16954 1 942 . 2 1 38 38 ALA CA C 13 55.829 0.42 . 6 . . . . 138 A CA . 16954 1 943 . 2 1 38 38 ALA CB C 13 16.187 0.42 . 6 . . . . 138 A CB . 16954 1 944 . 2 1 38 38 ALA N N 15 120.501 0.22 . 6 . . . . 138 A N . 16954 1 945 . 2 1 39 39 VAL H H 1 8.106 0.08 . 6 . . . . 139 V HN . 16954 1 946 . 2 1 39 39 VAL HA H 1 3.343 0.08 . 6 . . . . 139 V HA . 16954 1 947 . 2 1 39 39 VAL HB H 1 2.202 0.08 . 6 . . . . 139 V HB . 16954 1 948 . 2 1 39 39 VAL HG11 H 1 0.962 0.08 . 6 . . . . 139 V HG1 . 16954 1 949 . 2 1 39 39 VAL HG12 H 1 0.962 0.08 . 6 . . . . 139 V HG1 . 16954 1 950 . 2 1 39 39 VAL HG13 H 1 0.962 0.08 . 6 . . . . 139 V HG1 . 16954 1 951 . 2 1 39 39 VAL HG21 H 1 0.864 0.08 . 6 . . . . 139 V HG2 . 16954 1 952 . 2 1 39 39 VAL HG22 H 1 0.864 0.08 . 6 . . . . 139 V HG2 . 16954 1 953 . 2 1 39 39 VAL HG23 H 1 0.864 0.08 . 6 . . . . 139 V HG2 . 16954 1 954 . 2 1 39 39 VAL C C 13 179.434 0.42 . 6 . . . . 139 V CO . 16954 1 955 . 2 1 39 39 VAL CA C 13 68.846 0.42 . 6 . . . . 139 V CA . 16954 1 956 . 2 1 39 39 VAL CB C 13 31.634 0.42 . 6 . . . . 139 V CB . 16954 1 957 . 2 1 39 39 VAL CG1 C 13 23.215 0.42 . 6 . . . . 139 V CG1 . 16954 1 958 . 2 1 39 39 VAL CG2 C 13 21.630 0.42 . 6 . . . . 139 V CG2 . 16954 1 959 . 2 1 39 39 VAL N N 15 117.689 0.22 . 6 . . . . 139 V N . 16954 1 960 . 2 1 40 40 GLU H H 1 7.933 0.08 . 6 . . . . 140 E HN . 16954 1 961 . 2 1 40 40 GLU HA H 1 3.834 0.08 . 6 . . . . 140 E HA . 16954 1 962 . 2 1 40 40 GLU HB2 H 1 1.926 0.08 . 6 . . . . 140 E QB . 16954 1 963 . 2 1 40 40 GLU HB3 H 1 1.926 0.08 . 6 . . . . 140 E QB . 16954 1 964 . 2 1 40 40 GLU HG2 H 1 2.493 0.08 . 6 . . . . 140 E HG2 . 16954 1 965 . 2 1 40 40 GLU HG3 H 1 2.244 0.08 . 6 . . . . 140 E HG3 . 16954 1 966 . 2 1 40 40 GLU C C 13 177.872 0.42 . 6 . . . . 140 E CO . 16954 1 967 . 2 1 40 40 GLU CA C 13 59.798 0.42 . 6 . . . . 140 E CA . 16954 1 968 . 2 1 40 40 GLU CG C 13 34.827 0.42 . 6 . . . . 140 E CG . 16954 1 969 . 2 1 40 40 GLU N N 15 120.695 0.22 . 6 . . . . 140 E N . 16954 1 970 . 2 1 41 41 TYR H H 1 8.955 0.08 . 6 . . . . 141 Y HN . 16954 1 971 . 2 1 41 41 TYR HA H 1 3.553 0.08 . 6 . . . . 141 Y HA . 16954 1 972 . 2 1 41 41 TYR HB2 H 1 2.230 0.08 . 6 . . . . 141 Y HB2 . 16954 1 973 . 2 1 41 41 TYR HB3 H 1 2.159 0.08 . 6 . . . . 141 Y HB3 . 16954 1 974 . 2 1 41 41 TYR HD1 H 1 5.814 0.08 . 6 . . . . 141 Y QD . 16954 1 975 . 2 1 41 41 TYR HD2 H 1 5.814 0.08 . 6 . . . . 141 Y QD . 16954 1 976 . 2 1 41 41 TYR HE1 H 1 6.421 0.08 . 6 . . . . 141 Y QE . 16954 1 977 . 2 1 41 41 TYR HE2 H 1 6.421 0.08 . 6 . . . . 141 Y QE . 16954 1 978 . 2 1 41 41 TYR C C 13 177.743 0.42 . 6 . . . . 141 Y CO . 16954 1 979 . 2 1 41 41 TYR CA C 13 61.853 0.42 . 6 . . . . 141 Y CA . 16954 1 980 . 2 1 41 41 TYR CB C 13 39.014 0.42 . 6 . . . . 141 Y CB . 16954 1 981 . 2 1 41 41 TYR N N 15 120.973 0.22 . 6 . . . . 141 Y N . 16954 1 982 . 2 1 42 42 PHE H H 1 8.617 0.08 . 6 . . . . 142 F HN . 16954 1 983 . 2 1 42 42 PHE HA H 1 4.074 0.08 . 6 . . . . 142 F HA . 16954 1 984 . 2 1 42 42 PHE HB2 H 1 3.144 0.08 . 6 . . . . 142 F HB2 . 16954 1 985 . 2 1 42 42 PHE HB3 H 1 2.722 0.08 . 6 . . . . 142 F HB3 . 16954 1 986 . 2 1 42 42 PHE HD1 H 1 7.292 0.08 . 6 . . . . 142 F QD . 16954 1 987 . 2 1 42 42 PHE HD2 H 1 7.292 0.08 . 6 . . . . 142 F QD . 16954 1 988 . 2 1 42 42 PHE HE1 H 1 6.612 0.08 . 6 . . . . 142 F QE . 16954 1 989 . 2 1 42 42 PHE HE2 H 1 6.612 0.08 . 6 . . . . 142 F QE . 16954 1 990 . 2 1 42 42 PHE HZ H 1 6.690 0.08 . 6 . . . . 142 F HZ . 16954 1 991 . 2 1 42 42 PHE CA C 13 62.765 0.42 . 6 . . . . 142 F CA . 16954 1 992 . 2 1 42 42 PHE CB C 13 37.930 0.42 . 6 . . . . 142 F CB . 16954 1 993 . 2 1 42 42 PHE CD1 C 13 131.999 0.42 . 6 . . . . 142 F CD . 16954 1 994 . 2 1 42 42 PHE CD2 C 13 131.999 0.42 . 6 . . . . 142 F CD . 16954 1 995 . 2 1 42 42 PHE CE1 C 13 128.562 0.42 . 6 . . . . 142 F CE . 16954 1 996 . 2 1 42 42 PHE CE2 C 13 128.562 0.42 . 6 . . . . 142 F CE . 16954 1 997 . 2 1 42 42 PHE CZ C 13 130.851 0.42 . 6 . . . . 142 F CZ . 16954 1 998 . 2 1 42 42 PHE N N 15 115.284 0.22 . 6 . . . . 142 F N . 16954 1 999 . 2 1 43 43 THR H H 1 7.982 0.08 . 6 . . . . 143 T HN . 16954 1 1000 . 2 1 43 43 THR HA H 1 4.207 0.08 . 6 . . . . 143 T HA . 16954 1 1001 . 2 1 43 43 THR HB H 1 3.715 0.08 . 6 . . . . 143 T HB . 16954 1 1002 . 2 1 43 43 THR HG21 H 1 1.149 0.08 . 6 . . . . 143 T QG2 . 16954 1 1003 . 2 1 43 43 THR HG22 H 1 1.149 0.08 . 6 . . . . 143 T QG2 . 16954 1 1004 . 2 1 43 43 THR HG23 H 1 1.149 0.08 . 6 . . . . 143 T QG2 . 16954 1 1005 . 2 1 43 43 THR C C 13 176.218 0.42 . 6 . . . . 143 T CO . 16954 1 1006 . 2 1 43 43 THR CA C 13 68.032 0.42 . 6 . . . . 143 T CA . 16954 1 1007 . 2 1 43 43 THR CB C 13 68.192 0.42 . 6 . . . . 143 T CB . 16954 1 1008 . 2 1 43 43 THR N N 15 116.925 0.22 . 6 . . . . 143 T N . 16954 1 1009 . 2 1 44 44 ARG H H 1 7.706 0.08 . 6 . . . . 144 R HN . 16954 1 1010 . 2 1 44 44 ARG HA H 1 3.902 0.08 . 6 . . . . 144 R HA . 16954 1 1011 . 2 1 44 44 ARG HD2 H 1 3.572 0.08 . 6 . . . . 144 R HD2 . 16954 1 1012 . 2 1 44 44 ARG HD3 H 1 3.051 0.08 . 6 . . . . 144 R HD3 . 16954 1 1013 . 2 1 44 44 ARG C C 13 179.228 0.42 . 6 . . . . 144 R CO . 16954 1 1014 . 2 1 44 44 ARG CA C 13 59.293 0.42 . 6 . . . . 144 R CA . 16954 1 1015 . 2 1 44 44 ARG N N 15 121.818 0.22 . 6 . . . . 144 R N . 16954 1 1016 . 2 1 45 45 LEU H H 1 7.402 0.08 . 6 . . . . 145 L HN . 16954 1 1017 . 2 1 45 45 LEU HA H 1 3.885 0.08 . 6 . . . . 145 L HA . 16954 1 1018 . 2 1 45 45 LEU HB2 H 1 1.540 0.08 . 6 . . . . 145 L HB2 . 16954 1 1019 . 2 1 45 45 LEU HB3 H 1 1.507 0.08 . 6 . . . . 145 L HB3 . 16954 1 1020 . 2 1 45 45 LEU HD11 H 1 0.975 0.08 . 6 . . . . 145 L HD1 . 16954 1 1021 . 2 1 45 45 LEU HD12 H 1 0.975 0.08 . 6 . . . . 145 L HD1 . 16954 1 1022 . 2 1 45 45 LEU HD13 H 1 0.975 0.08 . 6 . . . . 145 L HD1 . 16954 1 1023 . 2 1 45 45 LEU HD21 H 1 0.717 0.08 . 6 . . . . 145 L HD2 . 16954 1 1024 . 2 1 45 45 LEU HD22 H 1 0.717 0.08 . 6 . . . . 145 L HD2 . 16954 1 1025 . 2 1 45 45 LEU HD23 H 1 0.717 0.08 . 6 . . . . 145 L HD2 . 16954 1 1026 . 2 1 45 45 LEU HG H 1 1.349 0.08 . 6 . . . . 145 L HG . 16954 1 1027 . 2 1 45 45 LEU CA C 13 57.645 0.42 . 6 . . . . 145 L CA . 16954 1 1028 . 2 1 45 45 LEU N N 15 119.207 0.22 . 6 . . . . 145 L N . 16954 1 1029 . 2 1 46 46 ARG H H 1 7.876 0.08 . 6 . . . . 146 R HN . 16954 1 1030 . 2 1 46 46 ARG HA H 1 3.865 0.08 . 6 . . . . 146 R HA . 16954 1 1031 . 2 1 46 46 ARG HE H 1 7.203 0.08 . 6 . . . . 146 R HE . 16954 1 1032 . 2 1 46 46 ARG N N 15 119.680 0.22 . 6 . . . . 146 R N . 16954 1 1033 . 2 1 46 46 ARG NE N 15 84.462 0.22 . 6 . . . . 146 R NE . 16954 1 1034 . 2 1 47 47 GLU H H 1 7.952 0.08 . 6 . . . . 147 E HN . 16954 1 1035 . 2 1 47 47 GLU N N 15 117.647 0.22 . 6 . . . . 147 E N . 16954 1 1036 . 2 1 49 49 ARG HE H 1 7.706 0.08 . 6 . . . . 149 R HE . 16954 1 1037 . 2 1 49 49 ARG HG2 H 1 1.735 0.08 . 6 . . . . 149 R QG . 16954 1 1038 . 2 1 49 49 ARG HG3 H 1 1.735 0.08 . 6 . . . . 149 R QG . 16954 1 1039 . 2 1 49 49 ARG NE N 15 83.668 0.22 . 6 . . . . 149 R NE . 16954 1 1040 . 2 1 50 50 ALA HB1 H 1 1.311 0.08 . 6 . . . . 150 A QB . 16954 1 1041 . 2 1 50 50 ALA HB2 H 1 1.311 0.08 . 6 . . . . 150 A QB . 16954 1 1042 . 2 1 50 50 ALA HB3 H 1 1.311 0.08 . 6 . . . . 150 A QB . 16954 1 1043 . 3 2 1 1 ALA HA H 1 4.062 0.08 . 1 . . . . 201 A HA . 16954 1 1044 . 3 2 1 1 ALA HB1 H 1 1.496 0.08 . 1 . . . . 201 A QB . 16954 1 1045 . 3 2 1 1 ALA HB2 H 1 1.496 0.08 . 1 . . . . 201 A QB . 16954 1 1046 . 3 2 1 1 ALA HB3 H 1 1.496 0.08 . 1 . . . . 201 A QB . 16954 1 1047 . 3 2 1 1 ALA CB C 13 19.619 0.42 . 1 . . . . 201 A CB . 16954 1 1048 . 3 2 2 2 MET HA H 1 4.380 0.08 . 1 . . . . 202 M HA . 16954 1 1049 . 3 2 2 2 MET HB2 H 1 2.019 0.08 . 2 . . . . 202 M HB2 . 16954 1 1050 . 3 2 2 2 MET HB3 H 1 1.962 0.08 . 2 . . . . 202 M HB3 . 16954 1 1051 . 3 2 2 2 MET HG2 H 1 2.544 0.08 . 2 . . . . 202 M QG . 16954 1 1052 . 3 2 2 2 MET HG3 H 1 2.544 0.08 . 2 . . . . 202 M QG . 16954 1 1053 . 3 2 2 2 MET C C 13 175.809 0.42 . 1 . . . . 202 M CO . 16954 1 1054 . 3 2 2 2 MET CA C 13 56.311 0.42 . 1 . . . . 202 M CA . 16954 1 1055 . 3 2 2 2 MET CB C 13 33.225 0.42 . 1 . . . . 202 M CB . 16954 1 1056 . 3 2 2 2 MET CG C 13 32.439 0.42 . 1 . . . . 202 M CG . 16954 1 1057 . 3 2 3 3 ALA H H 1 8.332 0.08 . 1 . . . . 203 A HN . 16954 1 1058 . 3 2 3 3 ALA HA H 1 4.252 0.08 . 1 . . . . 203 A HA . 16954 1 1059 . 3 2 3 3 ALA HB1 H 1 1.320 0.08 . 1 . . . . 203 A QB . 16954 1 1060 . 3 2 3 3 ALA HB2 H 1 1.320 0.08 . 1 . . . . 203 A QB . 16954 1 1061 . 3 2 3 3 ALA HB3 H 1 1.320 0.08 . 1 . . . . 203 A QB . 16954 1 1062 . 3 2 3 3 ALA C C 13 177.086 0.42 . 1 . . . . 203 A CO . 16954 1 1063 . 3 2 3 3 ALA CA C 13 52.873 0.42 . 1 . . . . 203 A CA . 16954 1 1064 . 3 2 3 3 ALA CB C 13 19.437 0.42 . 1 . . . . 203 A CB . 16954 1 1065 . 3 2 3 3 ALA N N 15 124.658 0.22 . 1 . . . . 203 A N . 16954 1 1066 . 3 2 4 4 ASP H H 1 8.152 0.08 . 1 . . . . 204 D HN . 16954 1 1067 . 3 2 4 4 ASP HA H 1 4.561 0.08 . 1 . . . . 204 D HA . 16954 1 1068 . 3 2 4 4 ASP HB2 H 1 2.663 0.08 . 2 . . . . 204 D HB2 . 16954 1 1069 . 3 2 4 4 ASP HB3 H 1 2.571 0.08 . 2 . . . . 204 D HB3 . 16954 1 1070 . 3 2 4 4 ASP C C 13 176.425 0.42 . 1 . . . . 204 D CO . 16954 1 1071 . 3 2 4 4 ASP CA C 13 54.430 0.42 . 1 . . . . 204 D CA . 16954 1 1072 . 3 2 4 4 ASP CB C 13 41.313 0.42 . 1 . . . . 204 D CB . 16954 1 1073 . 3 2 4 4 ASP N N 15 119.388 0.22 . 1 . . . . 204 D N . 16954 1 1074 . 3 2 5 5 ILE H H 1 7.998 0.08 . 1 . . . . 205 I HN . 16954 1 1075 . 3 2 5 5 ILE HA H 1 4.117 0.08 . 1 . . . . 205 I HA . 16954 1 1076 . 3 2 5 5 ILE HB H 1 1.867 0.08 . 1 . . . . 205 I HB . 16954 1 1077 . 3 2 5 5 ILE HD11 H 1 0.804 0.08 . 1 . . . . 205 I QD1 . 16954 1 1078 . 3 2 5 5 ILE HD12 H 1 0.804 0.08 . 1 . . . . 205 I QD1 . 16954 1 1079 . 3 2 5 5 ILE HD13 H 1 0.804 0.08 . 1 . . . . 205 I QD1 . 16954 1 1080 . 3 2 5 5 ILE HG12 H 1 1.396 0.08 . 2 . . . . 205 I HG12 . 16954 1 1081 . 3 2 5 5 ILE HG13 H 1 1.147 0.08 . 2 . . . . 205 I HG13 . 16954 1 1082 . 3 2 5 5 ILE HG21 H 1 0.853 0.08 . 1 . . . . 205 I QG2 . 16954 1 1083 . 3 2 5 5 ILE HG22 H 1 0.853 0.08 . 1 . . . . 205 I QG2 . 16954 1 1084 . 3 2 5 5 ILE HG23 H 1 0.853 0.08 . 1 . . . . 205 I QG2 . 16954 1 1085 . 3 2 5 5 ILE C C 13 176.861 0.42 . 1 . . . . 205 I CO . 16954 1 1086 . 3 2 5 5 ILE CA C 13 61.738 0.42 . 1 . . . . 205 I CA . 16954 1 1087 . 3 2 5 5 ILE CB C 13 38.920 0.42 . 1 . . . . 205 I CB . 16954 1 1088 . 3 2 5 5 ILE CD1 C 13 13.637 0.42 . 1 . . . . 205 I CD . 16954 1 1089 . 3 2 5 5 ILE CG1 C 13 27.491 0.42 . 1 . . . . 205 I CG1 . 16954 1 1090 . 3 2 5 5 ILE CG2 C 13 17.653 0.42 . 1 . . . . 205 I CG2 . 16954 1 1091 . 3 2 5 5 ILE N N 15 120.499 0.22 . 1 . . . . 205 I N . 16954 1 1092 . 3 2 6 6 GLY H H 1 8.393 0.08 . 1 . . . . 206 G HN . 16954 1 1093 . 3 2 6 6 GLY HA2 H 1 3.904 0.08 . 2 . . . . 206 G QA . 16954 1 1094 . 3 2 6 6 GLY HA3 H 1 3.904 0.08 . 2 . . . . 206 G QA . 16954 1 1095 . 3 2 6 6 GLY C C 13 174.446 0.42 . 1 . . . . 206 G CO . 16954 1 1096 . 3 2 6 6 GLY CA C 13 45.625 0.42 . 1 . . . . 206 G CA . 16954 1 1097 . 3 2 6 6 GLY N N 15 111.757 0.22 . 1 . . . . 206 G N . 16954 1 1098 . 3 2 7 7 SER H H 1 8.040 0.08 . 1 . . . . 207 S HN . 16954 1 1099 . 3 2 7 7 SER HA H 1 4.378 0.08 . 1 . . . . 207 S HA . 16954 1 1100 . 3 2 7 7 SER HB2 H 1 3.853 0.08 . 2 . . . . 207 S HB2 . 16954 1 1101 . 3 2 7 7 SER HB3 H 1 3.804 0.08 . 2 . . . . 207 S HB3 . 16954 1 1102 . 3 2 7 7 SER C C 13 174.752 0.42 . 1 . . . . 207 S CO . 16954 1 1103 . 3 2 7 7 SER CA C 13 58.560 0.42 . 1 . . . . 207 S CA . 16954 1 1104 . 3 2 7 7 SER CB C 13 64.253 0.42 . 1 . . . . 207 S CB . 16954 1 1105 . 3 2 7 7 SER N N 15 115.580 0.22 . 1 . . . . 207 S N . 16954 1 1106 . 3 2 8 8 ALA H H 1 8.282 0.08 . 1 . . . . 208 A HN . 16954 1 1107 . 3 2 8 8 ALA HA H 1 4.290 0.08 . 1 . . . . 208 A HA . 16954 1 1108 . 3 2 8 8 ALA HB1 H 1 1.363 0.08 . 1 . . . . 208 A QB . 16954 1 1109 . 3 2 8 8 ALA HB2 H 1 1.363 0.08 . 1 . . . . 208 A QB . 16954 1 1110 . 3 2 8 8 ALA HB3 H 1 1.363 0.08 . 1 . . . . 208 A QB . 16954 1 1111 . 3 2 8 8 ALA C C 13 177.908 0.42 . 1 . . . . 208 A CO . 16954 1 1112 . 3 2 8 8 ALA CA C 13 53.137 0.42 . 1 . . . . 208 A CA . 16954 1 1113 . 3 2 8 8 ALA CB C 13 19.169 0.42 . 1 . . . . 208 A CB . 16954 1 1114 . 3 2 8 8 ALA N N 15 125.815 0.22 . 1 . . . . 208 A N . 16954 1 1115 . 3 2 9 9 SER H H 1 8.084 0.08 . 1 . . . . 209 S HN . 16954 1 1116 . 3 2 9 9 SER HA H 1 4.265 0.08 . 1 . . . . 209 S HA . 16954 1 1117 . 3 2 9 9 SER HB2 H 1 3.766 0.08 . 2 . . . . 209 S HB2 . 16954 1 1118 . 3 2 9 9 SER HB3 H 1 3.737 0.08 . 2 . . . . 209 S HB3 . 16954 1 1119 . 3 2 9 9 SER C C 13 175.098 0.42 . 1 . . . . 209 S CO . 16954 1 1120 . 3 2 9 9 SER CA C 13 58.876 0.42 . 1 . . . . 209 S CA . 16954 1 1121 . 3 2 9 9 SER CB C 13 63.881 0.42 . 1 . . . . 209 S CB . 16954 1 1122 . 3 2 9 9 SER N N 15 114.144 0.22 . 1 . . . . 209 S N . 16954 1 1123 . 3 2 10 10 GLY H H 1 8.133 0.08 . 1 . . . . 210 G HN . 16954 1 1124 . 3 2 10 10 GLY HA2 H 1 3.873 0.08 . 2 . . . . 210 G QA . 16954 1 1125 . 3 2 10 10 GLY HA3 H 1 3.873 0.08 . 2 . . . . 210 G QA . 16954 1 1126 . 3 2 10 10 GLY C C 13 173.661 0.42 . 1 . . . . 210 G CO . 16954 1 1127 . 3 2 10 10 GLY CA C 13 45.362 0.42 . 1 . . . . 210 G CA . 16954 1 1128 . 3 2 10 10 GLY N N 15 110.206 0.22 . 1 . . . . 210 G N . 16954 1 1129 . 3 2 11 11 TYR H H 1 7.917 0.08 . 1 . . . . 211 Y HN . 16954 1 1130 . 3 2 11 11 TYR HA H 1 4.502 0.08 . 1 . . . . 211 Y HA . 16954 1 1131 . 3 2 11 11 TYR HB2 H 1 2.952 0.08 . 2 . . . . 211 Y HB2 . 16954 1 1132 . 3 2 11 11 TYR HB3 H 1 2.878 0.08 . 2 . . . . 211 Y HB3 . 16954 1 1133 . 3 2 11 11 TYR HD1 H 1 7.013 0.08 . 3 . . . . 211 Y QD . 16954 1 1134 . 3 2 11 11 TYR HD2 H 1 7.013 0.08 . 3 . . . . 211 Y QD . 16954 1 1135 . 3 2 11 11 TYR HE1 H 1 6.743 0.08 . 3 . . . . 211 Y QE . 16954 1 1136 . 3 2 11 11 TYR HE2 H 1 6.743 0.08 . 3 . . . . 211 Y QE . 16954 1 1137 . 3 2 11 11 TYR C C 13 175.230 0.42 . 1 . . . . 211 Y CO . 16954 1 1138 . 3 2 11 11 TYR CA C 13 58.085 0.42 . 1 . . . . 211 Y CA . 16954 1 1139 . 3 2 11 11 TYR CB C 13 38.875 0.42 . 1 . . . . 211 Y CB . 16954 1 1140 . 3 2 11 11 TYR CD1 C 13 135.303 0.42 . 3 . . . . 211 Y CD . 16954 1 1141 . 3 2 11 11 TYR CD2 C 13 135.303 0.42 . 3 . . . . 211 Y CD . 16954 1 1142 . 3 2 11 11 TYR CE1 C 13 116.385 0.42 . 3 . . . . 211 Y CE . 16954 1 1143 . 3 2 11 11 TYR CE2 C 13 116.385 0.42 . 3 . . . . 211 Y CE . 16954 1 1144 . 3 2 11 11 TYR N N 15 120.211 0.22 . 1 . . . . 211 Y N . 16954 1 1145 . 3 2 12 12 VAL H H 1 7.982 0.08 . 1 . . . . 212 V HN . 16954 1 1146 . 3 2 12 12 VAL HA H 1 4.257 0.08 . 1 . . . . 212 V HA . 16954 1 1147 . 3 2 12 12 VAL HB H 1 2.007 0.08 . 1 . . . . 212 V HB . 16954 1 1148 . 3 2 12 12 VAL HG11 H 1 0.931 0.08 . 2 . . . . 212 V QG1 . 16954 1 1149 . 3 2 12 12 VAL HG12 H 1 0.931 0.08 . 2 . . . . 212 V QG1 . 16954 1 1150 . 3 2 12 12 VAL HG13 H 1 0.931 0.08 . 2 . . . . 212 V QG1 . 16954 1 1151 . 3 2 12 12 VAL HG21 H 1 0.931 0.08 . 2 . . . . 212 V QG2 . 16954 1 1152 . 3 2 12 12 VAL HG22 H 1 0.931 0.08 . 2 . . . . 212 V QG2 . 16954 1 1153 . 3 2 12 12 VAL HG23 H 1 0.931 0.08 . 2 . . . . 212 V QG2 . 16954 1 1154 . 3 2 12 12 VAL CA C 13 59.533 0.42 . 1 . . . . 212 V CA . 16954 1 1155 . 3 2 12 12 VAL CB C 13 33.907 0.42 . 1 . . . . 212 V CB . 16954 1 1156 . 3 2 12 12 VAL CG1 C 13 21.765 0.42 . 2 . . . . 212 V CG1 . 16954 1 1157 . 3 2 12 12 VAL CG2 C 13 21.206 0.42 . 2 . . . . 212 V CG2 . 16954 1 1158 . 3 2 12 12 VAL N N 15 124.790 0.22 . 1 . . . . 212 V N . 16954 1 1159 . 3 2 13 13 PRO HA H 1 4.291 0.08 . 1 . . . . 213 P HA . 16954 1 1160 . 3 2 13 13 PRO HB2 H 1 2.517 0.08 . 2 . . . . 213 P HB2 . 16954 1 1161 . 3 2 13 13 PRO HB3 H 1 1.860 0.08 . 2 . . . . 213 P HB3 . 16954 1 1162 . 3 2 13 13 PRO HD2 H 1 3.803 0.08 . 2 . . . . 213 P HD2 . 16954 1 1163 . 3 2 13 13 PRO HD3 H 1 3.462 0.08 . 2 . . . . 213 P HD3 . 16954 1 1164 . 3 2 13 13 PRO HG2 H 1 1.864 0.08 . 2 . . . . 213 P HG2 . 16954 1 1165 . 3 2 13 13 PRO HG3 H 1 2.055 0.08 . 2 . . . . 213 P HG3 . 16954 1 1166 . 3 2 13 13 PRO C C 13 177.793 0.42 . 1 . . . . 213 P CO . 16954 1 1167 . 3 2 13 13 PRO CA C 13 63.823 0.42 . 1 . . . . 213 P CA . 16954 1 1168 . 3 2 13 13 PRO CB C 13 32.639 0.42 . 1 . . . . 213 P CB . 16954 1 1169 . 3 2 13 13 PRO CD C 13 51.187 0.42 . 1 . . . . 213 P CD . 16954 1 1170 . 3 2 13 13 PRO CG C 13 27.864 0.42 . 1 . . . . 213 P CG . 16954 1 1171 . 3 2 14 14 GLU H H 1 8.905 0.08 . 1 . . . . 214 E HN . 16954 1 1172 . 3 2 14 14 GLU HA H 1 4.041 0.08 . 1 . . . . 214 E HA . 16954 1 1173 . 3 2 14 14 GLU HB2 H 1 2.123 0.08 . 2 . . . . 214 E HB2 . 16954 1 1174 . 3 2 14 14 GLU HB3 H 1 2.025 0.08 . 2 . . . . 214 E HB3 . 16954 1 1175 . 3 2 14 14 GLU HG2 H 1 2.455 0.08 . 2 . . . . 214 E HG2 . 16954 1 1176 . 3 2 14 14 GLU HG3 H 1 2.317 0.08 . 2 . . . . 214 E HG3 . 16954 1 1177 . 3 2 14 14 GLU C C 13 177.902 0.42 . 1 . . . . 214 E CO . 16954 1 1178 . 3 2 14 14 GLU CA C 13 59.738 0.42 . 1 . . . . 214 E CA . 16954 1 1179 . 3 2 14 14 GLU CB C 13 30.076 0.42 . 1 . . . . 214 E CB . 16954 1 1180 . 3 2 14 14 GLU CG C 13 36.843 0.42 . 1 . . . . 214 E CG . 16954 1 1181 . 3 2 14 14 GLU N N 15 124.483 0.22 . 1 . . . . 214 E N . 16954 1 1182 . 3 2 15 15 GLU H H 1 9.041 0.08 . 1 . . . . 215 E HN . 16954 1 1183 . 3 2 15 15 GLU HA H 1 4.049 0.08 . 1 . . . . 215 E HA . 16954 1 1184 . 3 2 15 15 GLU HB2 H 1 2.034 0.08 . 2 . . . . 215 E QB . 16954 1 1185 . 3 2 15 15 GLU HB3 H 1 2.034 0.08 . 2 . . . . 215 E QB . 16954 1 1186 . 3 2 15 15 GLU HG2 H 1 2.314 0.08 . 2 . . . . 215 E QG . 16954 1 1187 . 3 2 15 15 GLU HG3 H 1 2.314 0.08 . 2 . . . . 215 E QG . 16954 1 1188 . 3 2 15 15 GLU C C 13 179.209 0.42 . 1 . . . . 215 E CO . 16954 1 1189 . 3 2 15 15 GLU CA C 13 59.800 0.42 . 1 . . . . 215 E CA . 16954 1 1190 . 3 2 15 15 GLU CG C 13 36.414 0.42 . 1 . . . . 215 E CG . 16954 1 1191 . 3 2 15 15 GLU N N 15 117.331 0.22 . 1 . . . . 215 E N . 16954 1 1192 . 3 2 16 16 ILE H H 1 7.247 0.08 . 1 . . . . 216 I HN . 16954 1 1193 . 3 2 16 16 ILE HA H 1 3.596 0.08 . 1 . . . . 216 I HA . 16954 1 1194 . 3 2 16 16 ILE HB H 1 1.928 0.08 . 1 . . . . 216 I HB . 16954 1 1195 . 3 2 16 16 ILE HD11 H 1 0.764 0.08 . 1 . . . . 216 I QD1 . 16954 1 1196 . 3 2 16 16 ILE HD12 H 1 0.764 0.08 . 1 . . . . 216 I QD1 . 16954 1 1197 . 3 2 16 16 ILE HD13 H 1 0.764 0.08 . 1 . . . . 216 I QD1 . 16954 1 1198 . 3 2 16 16 ILE HG12 H 1 1.607 0.08 . 2 . . . . 216 I HG12 . 16954 1 1199 . 3 2 16 16 ILE HG13 H 1 1.033 0.08 . 2 . . . . 216 I HG13 . 16954 1 1200 . 3 2 16 16 ILE HG21 H 1 0.824 0.08 . 1 . . . . 216 I QG2 . 16954 1 1201 . 3 2 16 16 ILE HG22 H 1 0.824 0.08 . 1 . . . . 216 I QG2 . 16954 1 1202 . 3 2 16 16 ILE HG23 H 1 0.824 0.08 . 1 . . . . 216 I QG2 . 16954 1 1203 . 3 2 16 16 ILE C C 13 176.564 0.42 . 1 . . . . 216 I CO . 16954 1 1204 . 3 2 16 16 ILE CA C 13 64.759 0.42 . 1 . . . . 216 I CA . 16954 1 1205 . 3 2 16 16 ILE CB C 13 37.396 0.42 . 1 . . . . 216 I CB . 16954 1 1206 . 3 2 16 16 ILE CD1 C 13 12.654 0.42 . 1 . . . . 216 I CD1 . 16954 1 1207 . 3 2 16 16 ILE CG1 C 13 29.610 0.42 . 1 . . . . 216 I CG1 . 16954 1 1208 . 3 2 16 16 ILE CG2 C 13 18.511 0.42 . 1 . . . . 216 I CG2 . 16954 1 1209 . 3 2 16 16 ILE N N 15 117.973 0.22 . 1 . . . . 216 I N . 16954 1 1210 . 3 2 17 17 TRP H H 1 7.836 0.08 . 1 . . . . 217 W HN . 16954 1 1211 . 3 2 17 17 TRP HA H 1 3.845 0.08 . 1 . . . . 217 W HA . 16954 1 1212 . 3 2 17 17 TRP HB2 H 1 3.301 0.08 . 2 . . . . 217 W HB2 . 16954 1 1213 . 3 2 17 17 TRP HB3 H 1 3.158 0.08 . 2 . . . . 217 W HB3 . 16954 1 1214 . 3 2 17 17 TRP HD1 H 1 7.026 0.08 . 1 . . . . 217 W HD1 . 16954 1 1215 . 3 2 17 17 TRP HE1 H 1 10.023 0.08 . 1 . . . . 217 W HE1 . 16954 1 1216 . 3 2 17 17 TRP HE3 H 1 7.343 0.08 . 1 . . . . 217 W HE3 . 16954 1 1217 . 3 2 17 17 TRP HH2 H 1 7.235 0.08 . 1 . . . . 217 W HH2 . 16954 1 1218 . 3 2 17 17 TRP HZ2 H 1 7.472 0.08 . 1 . . . . 217 W HZ2 . 16954 1 1219 . 3 2 17 17 TRP HZ3 H 1 7.105 0.08 . 1 . . . . 217 W HZ3 . 16954 1 1220 . 3 2 17 17 TRP C C 13 178.404 0.42 . 1 . . . . 217 W CO . 16954 1 1221 . 3 2 17 17 TRP CA C 13 61.327 0.42 . 1 . . . . 217 W CA . 16954 1 1222 . 3 2 17 17 TRP CB C 13 29.384 0.42 . 1 . . . . 217 W CB . 16954 1 1223 . 3 2 17 17 TRP CD1 C 13 128.082 0.42 . 1 . . . . 217 W CD1 . 16954 1 1224 . 3 2 17 17 TRP CE3 C 13 118.687 0.42 . 1 . . . . 217 W CE3 . 16954 1 1225 . 3 2 17 17 TRP CH2 C 13 125.199 0.42 . 1 . . . . 217 W CH2 . 16954 1 1226 . 3 2 17 17 TRP CZ2 C 13 112.645 0.42 . 1 . . . . 217 W CZ2 . 16954 1 1227 . 3 2 17 17 TRP CZ3 C 13 121.307 0.42 . 1 . . . . 217 W CZ3 . 16954 1 1228 . 3 2 17 17 TRP N N 15 120.310 0.22 . 1 . . . . 217 W N . 16954 1 1229 . 3 2 17 17 TRP NE1 N 15 129.777 0.22 . 1 . . . . 217 W NE1 . 16954 1 1230 . 3 2 18 18 LYS H H 1 8.477 0.08 . 1 . . . . 218 K HN . 16954 1 1231 . 3 2 18 18 LYS HA H 1 4.060 0.08 . 1 . . . . 218 K HA . 16954 1 1232 . 3 2 18 18 LYS HB2 H 1 1.864 0.08 . 2 . . . . 218 K QB . 16954 1 1233 . 3 2 18 18 LYS HB3 H 1 1.864 0.08 . 2 . . . . 218 K QB . 16954 1 1234 . 3 2 18 18 LYS HD2 H 1 1.683 0.08 . 2 . . . . 218 K QD . 16954 1 1235 . 3 2 18 18 LYS HD3 H 1 1.683 0.08 . 2 . . . . 218 K QD . 16954 1 1236 . 3 2 18 18 LYS HE2 H 1 2.956 0.08 . 2 . . . . 218 K QE . 16954 1 1237 . 3 2 18 18 LYS HE3 H 1 2.956 0.08 . 2 . . . . 218 K QE . 16954 1 1238 . 3 2 18 18 LYS HG2 H 1 1.613 0.08 . 2 . . . . 218 K HG2 . 16954 1 1239 . 3 2 18 18 LYS HG3 H 1 1.511 0.08 . 2 . . . . 218 K HG3 . 16954 1 1240 . 3 2 18 18 LYS C C 13 179.497 0.42 . 1 . . . . 218 K CO . 16954 1 1241 . 3 2 18 18 LYS CA C 13 59.192 0.42 . 1 . . . . 218 K CA . 16954 1 1242 . 3 2 18 18 LYS CB C 13 32.667 0.42 . 1 . . . . 218 K CB . 16954 1 1243 . 3 2 18 18 LYS CD C 13 29.207 0.42 . 1 . . . . 218 K CD . 16954 1 1244 . 3 2 18 18 LYS CE C 13 42.264 0.42 . 1 . . . . 218 K CE . 16954 1 1245 . 3 2 18 18 LYS CG C 13 25.532 0.42 . 1 . . . . 218 K CG . 16954 1 1246 . 3 2 18 18 LYS N N 15 116.834 0.22 . 1 . . . . 218 K N . 16954 1 1247 . 3 2 19 19 LYS H H 1 7.622 0.08 . 1 . . . . 219 K HN . 16954 1 1248 . 3 2 19 19 LYS HA H 1 4.088 0.08 . 1 . . . . 219 K HA . 16954 1 1249 . 3 2 19 19 LYS HB2 H 1 1.854 0.08 . 2 . . . . 219 K HB2 . 16954 1 1250 . 3 2 19 19 LYS HB3 H 1 1.646 0.08 . 2 . . . . 219 K HB3 . 16954 1 1251 . 3 2 19 19 LYS HD2 H 1 1.655 0.08 . 2 . . . . 219 K QD . 16954 1 1252 . 3 2 19 19 LYS HD3 H 1 1.655 0.08 . 2 . . . . 219 K QD . 16954 1 1253 . 3 2 19 19 LYS HE2 H 1 2.946 0.08 . 2 . . . . 219 K QE . 16954 1 1254 . 3 2 19 19 LYS HE3 H 1 2.946 0.08 . 2 . . . . 219 K QE . 16954 1 1255 . 3 2 19 19 LYS HG2 H 1 1.405 0.08 . 2 . . . . 219 K QG . 16954 1 1256 . 3 2 19 19 LYS HG3 H 1 1.405 0.08 . 2 . . . . 219 K QG . 16954 1 1257 . 3 2 19 19 LYS C C 13 178.766 0.42 . 1 . . . . 219 K CO . 16954 1 1258 . 3 2 19 19 LYS CA C 13 57.946 0.42 . 1 . . . . 219 K CA . 16954 1 1259 . 3 2 19 19 LYS CB C 13 31.370 0.42 . 1 . . . . 219 K CB . 16954 1 1260 . 3 2 19 19 LYS CD C 13 28.277 0.42 . 1 . . . . 219 K CD . 16954 1 1261 . 3 2 19 19 LYS CE C 13 41.929 0.42 . 1 . . . . 219 K CE . 16954 1 1262 . 3 2 19 19 LYS CG C 13 24.858 0.42 . 1 . . . . 219 K CG . 16954 1 1263 . 3 2 19 19 LYS N N 15 119.846 0.22 . 1 . . . . 219 K N . 16954 1 1264 . 3 2 20 20 ALA H H 1 8.153 0.08 . 1 . . . . 220 A HN . 16954 1 1265 . 3 2 20 20 ALA HA H 1 3.855 0.08 . 1 . . . . 220 A HA . 16954 1 1266 . 3 2 20 20 ALA HB1 H 1 1.142 0.08 . 1 . . . . 220 A QB . 16954 1 1267 . 3 2 20 20 ALA HB2 H 1 1.142 0.08 . 1 . . . . 220 A QB . 16954 1 1268 . 3 2 20 20 ALA HB3 H 1 1.142 0.08 . 1 . . . . 220 A QB . 16954 1 1269 . 3 2 20 20 ALA C C 13 178.156 0.42 . 1 . . . . 220 A CO . 16954 1 1270 . 3 2 20 20 ALA CA C 13 55.323 0.42 . 1 . . . . 220 A CA . 16954 1 1271 . 3 2 20 20 ALA CB C 13 19.194 0.42 . 1 . . . . 220 A CB . 16954 1 1272 . 3 2 20 20 ALA N N 15 121.340 0.22 . 1 . . . . 220 A N . 16954 1 1273 . 3 2 21 21 GLU H H 1 8.096 0.08 . 1 . . . . 221 E HN . 16954 1 1274 . 3 2 21 21 GLU HA H 1 3.771 0.08 . 1 . . . . 221 E HA . 16954 1 1275 . 3 2 21 21 GLU HB2 H 1 1.986 0.08 . 2 . . . . 221 E HB2 . 16954 1 1276 . 3 2 21 21 GLU HB3 H 1 1.854 0.08 . 2 . . . . 221 E HB3 . 16954 1 1277 . 3 2 21 21 GLU HG2 H 1 2.141 0.08 . 2 . . . . 221 E HG2 . 16954 1 1278 . 3 2 21 21 GLU HG3 H 1 1.973 0.08 . 2 . . . . 221 E HG3 . 16954 1 1279 . 3 2 21 21 GLU C C 13 179.158 0.42 . 1 . . . . 221 E CO . 16954 1 1280 . 3 2 21 21 GLU CA C 13 59.671 0.42 . 1 . . . . 221 E CA . 16954 1 1281 . 3 2 21 21 GLU CB C 13 29.893 0.42 . 1 . . . . 221 E CB . 16954 1 1282 . 3 2 21 21 GLU CG C 13 36.426 0.42 . 1 . . . . 221 E CG . 16954 1 1283 . 3 2 21 21 GLU N N 15 118.565 0.22 . 1 . . . . 221 E N . 16954 1 1284 . 3 2 22 22 GLU H H 1 7.818 0.08 . 1 . . . . 222 E HN . 16954 1 1285 . 3 2 22 22 GLU HA H 1 4.052 0.08 . 1 . . . . 222 E HA . 16954 1 1286 . 3 2 22 22 GLU HB2 H 1 2.194 0.08 . 2 . . . . 222 E HB2 . 16954 1 1287 . 3 2 22 22 GLU HB3 H 1 2.136 0.08 . 2 . . . . 222 E HB3 . 16954 1 1288 . 3 2 22 22 GLU HG2 H 1 2.456 0.08 . 2 . . . . 222 E HG2 . 16954 1 1289 . 3 2 22 22 GLU HG3 H 1 2.212 0.08 . 2 . . . . 222 E HG3 . 16954 1 1290 . 3 2 22 22 GLU C C 13 179.457 0.42 . 1 . . . . 222 E CO . 16954 1 1291 . 3 2 22 22 GLU CA C 13 59.366 0.42 . 1 . . . . 222 E CA . 16954 1 1292 . 3 2 22 22 GLU CB C 13 29.869 0.42 . 1 . . . . 222 E CB . 16954 1 1293 . 3 2 22 22 GLU CG C 13 36.252 0.42 . 1 . . . . 222 E CG . 16954 1 1294 . 3 2 22 22 GLU N N 15 119.233 0.22 . 1 . . . . 222 E N . 16954 1 1295 . 3 2 23 23 ALA H H 1 7.973 0.08 . 1 . . . . 223 A HN . 16954 1 1296 . 3 2 23 23 ALA HA H 1 4.170 0.08 . 1 . . . . 223 A HA . 16954 1 1297 . 3 2 23 23 ALA HB1 H 1 1.412 0.08 . 1 . . . . 223 A QB . 16954 1 1298 . 3 2 23 23 ALA HB2 H 1 1.412 0.08 . 1 . . . . 223 A QB . 16954 1 1299 . 3 2 23 23 ALA HB3 H 1 1.412 0.08 . 1 . . . . 223 A QB . 16954 1 1300 . 3 2 23 23 ALA C C 13 179.931 0.42 . 1 . . . . 223 A CO . 16954 1 1301 . 3 2 23 23 ALA CA C 13 55.102 0.42 . 1 . . . . 223 A CA . 16954 1 1302 . 3 2 23 23 ALA CB C 13 17.889 0.42 . 1 . . . . 223 A CB . 16954 1 1303 . 3 2 23 23 ALA N N 15 122.717 0.22 . 1 . . . . 223 A N . 16954 1 1304 . 3 2 24 24 VAL H H 1 8.592 0.08 . 1 . . . . 224 V HN . 16954 1 1305 . 3 2 24 24 VAL HA H 1 3.400 0.08 . 1 . . . . 224 V HA . 16954 1 1306 . 3 2 24 24 VAL HB H 1 2.210 0.08 . 1 . . . . 224 V HB . 16954 1 1307 . 3 2 24 24 VAL HG11 H 1 1.050 0.08 . 2 . . . . 224 V QG1 . 16954 1 1308 . 3 2 24 24 VAL HG12 H 1 1.050 0.08 . 2 . . . . 224 V QG1 . 16954 1 1309 . 3 2 24 24 VAL HG13 H 1 1.050 0.08 . 2 . . . . 224 V QG1 . 16954 1 1310 . 3 2 24 24 VAL HG21 H 1 0.916 0.08 . 2 . . . . 224 V QG2 . 16954 1 1311 . 3 2 24 24 VAL HG22 H 1 0.916 0.08 . 2 . . . . 224 V QG2 . 16954 1 1312 . 3 2 24 24 VAL HG23 H 1 0.916 0.08 . 2 . . . . 224 V QG2 . 16954 1 1313 . 3 2 24 24 VAL C C 13 177.886 0.42 . 1 . . . . 224 V CO . 16954 1 1314 . 3 2 24 24 VAL CA C 13 67.664 0.42 . 1 . . . . 224 V CA . 16954 1 1315 . 3 2 24 24 VAL CB C 13 31.565 0.42 . 1 . . . . 224 V CB . 16954 1 1316 . 3 2 24 24 VAL CG1 C 13 22.737 0.42 . 2 . . . . 224 V CG1 . 16954 1 1317 . 3 2 24 24 VAL CG2 C 13 24.068 0.42 . 1 . . . . 224 V CG2 . 16954 1 1318 . 3 2 24 24 VAL N N 15 118.786 0.22 . 1 . . . . 224 V N . 16954 1 1319 . 3 2 25 25 ASN H H 1 8.400 0.08 . 1 . . . . 225 N HN . 16954 1 1320 . 3 2 25 25 ASN HA H 1 4.450 0.08 . 1 . . . . 225 N HA . 16954 1 1321 . 3 2 25 25 ASN HB2 H 1 2.967 0.08 . 2 . . . . 225 N HB2 . 16954 1 1322 . 3 2 25 25 ASN HB3 H 1 2.771 0.08 . 2 . . . . 225 N HB3 . 16954 1 1323 . 3 2 25 25 ASN HD21 H 1 7.559 0.08 . 2 . . . . 225 N HD21 . 16954 1 1324 . 3 2 25 25 ASN HD22 H 1 7.070 0.08 . 2 . . . . 225 N HD22 . 16954 1 1325 . 3 2 25 25 ASN C C 13 178.443 0.42 . 1 . . . . 225 N CO . 16954 1 1326 . 3 2 25 25 ASN CA C 13 56.649 0.42 . 1 . . . . 225 N CA . 16954 1 1327 . 3 2 25 25 ASN CB C 13 37.939 0.42 . 1 . . . . 225 N CB . 16954 1 1328 . 3 2 25 25 ASN N N 15 119.566 0.22 . 1 . . . . 225 N N . 16954 1 1329 . 3 2 25 25 ASN ND2 N 15 112.654 0.22 . 1 . . . . 225 N ND . 16954 1 1330 . 3 2 26 26 GLU H H 1 7.789 0.08 . 1 . . . . 226 E HN . 16954 1 1331 . 3 2 26 26 GLU HA H 1 4.245 0.08 . 1 . . . . 226 E HA . 16954 1 1332 . 3 2 26 26 GLU HB2 H 1 2.183 0.08 . 2 . . . . 226 E HB2 . 16954 1 1333 . 3 2 26 26 GLU HB3 H 1 2.172 0.08 . 2 . . . . 226 E HB3 . 16954 1 1334 . 3 2 26 26 GLU HG2 H 1 2.374 0.08 . 2 . . . . 226 E HG2 . 16954 1 1335 . 3 2 26 26 GLU HG3 H 1 2.297 0.08 . 2 . . . . 226 E HG3 . 16954 1 1336 . 3 2 26 26 GLU C C 13 178.207 0.42 . 1 . . . . 226 E CO . 16954 1 1337 . 3 2 26 26 GLU CA C 13 59.319 0.42 . 1 . . . . 226 E CA . 16954 1 1338 . 3 2 26 26 GLU CB C 13 29.128 0.42 . 1 . . . . 226 E CB . 16954 1 1339 . 3 2 26 26 GLU CG C 13 35.211 0.42 . 1 . . . . 226 E CG . 16954 1 1340 . 3 2 26 26 GLU N N 15 122.003 0.22 . 1 . . . . 226 E N . 16954 1 1341 . 3 2 27 27 VAL H H 1 8.240 0.08 . 1 . . . . 227 V HN . 16954 1 1342 . 3 2 27 27 VAL HA H 1 3.468 0.08 . 1 . . . . 227 V HA . 16954 1 1343 . 3 2 27 27 VAL HB H 1 2.403 0.08 . 1 . . . . 227 V HB . 16954 1 1344 . 3 2 27 27 VAL HG11 H 1 1.266 0.08 . 2 . . . . 227 V QG1 . 16954 1 1345 . 3 2 27 27 VAL HG12 H 1 1.266 0.08 . 2 . . . . 227 V QG1 . 16954 1 1346 . 3 2 27 27 VAL HG13 H 1 1.266 0.08 . 2 . . . . 227 V QG1 . 16954 1 1347 . 3 2 27 27 VAL HG21 H 1 0.796 0.08 . 2 . . . . 227 V QG2 . 16954 1 1348 . 3 2 27 27 VAL HG22 H 1 0.796 0.08 . 2 . . . . 227 V QG2 . 16954 1 1349 . 3 2 27 27 VAL HG23 H 1 0.796 0.08 . 2 . . . . 227 V QG2 . 16954 1 1350 . 3 2 27 27 VAL C C 13 177.918 0.42 . 1 . . . . 227 V CO . 16954 1 1351 . 3 2 27 27 VAL CA C 13 67.373 0.42 . 1 . . . . 227 V CA . 16954 1 1352 . 3 2 27 27 VAL CB C 13 31.743 0.42 . 1 . . . . 227 V CB . 16954 1 1353 . 3 2 27 27 VAL CG1 C 13 24.402 0.42 . 2 . . . . 227 V CG1 . 16954 1 1354 . 3 2 27 27 VAL CG2 C 13 21.661 0.42 . 2 . . . . 227 V CG2 . 16954 1 1355 . 3 2 27 27 VAL N N 15 120.599 0.22 . 1 . . . . 227 V N . 16954 1 1356 . 3 2 28 28 LYS H H 1 8.244 0.08 . 1 . . . . 228 K HN . 16954 1 1357 . 3 2 28 28 LYS HA H 1 3.663 0.08 . 1 . . . . 228 K HA . 16954 1 1358 . 3 2 28 28 LYS HB2 H 1 1.947 0.08 . 2 . . . . 228 K HB2 . 16954 1 1359 . 3 2 28 28 LYS HB3 H 1 1.746 0.08 . 2 . . . . 228 K HB3 . 16954 1 1360 . 3 2 28 28 LYS HD2 H 1 1.765 0.08 . 2 . . . . 228 K QD . 16954 1 1361 . 3 2 28 28 LYS HD3 H 1 1.765 0.08 . 2 . . . . 228 K QD . 16954 1 1362 . 3 2 28 28 LYS HE2 H 1 2.878 0.08 . 2 . . . . 228 K QE . 16954 1 1363 . 3 2 28 28 LYS HE3 H 1 2.878 0.08 . 2 . . . . 228 K QE . 16954 1 1364 . 3 2 28 28 LYS HG2 H 1 1.143 0.08 . 2 . . . . 228 K QG . 16954 1 1365 . 3 2 28 28 LYS HG3 H 1 1.143 0.08 . 2 . . . . 228 K QG . 16954 1 1366 . 3 2 28 28 LYS C C 13 177.874 0.42 . 1 . . . . 228 K CO . 16954 1 1367 . 3 2 28 28 LYS CA C 13 61.473 0.42 . 1 . . . . 228 K CA . 16954 1 1368 . 3 2 28 28 LYS CB C 13 32.424 0.42 . 1 . . . . 228 K CB . 16954 1 1369 . 3 2 28 28 LYS CD C 13 26.201 0.42 . 1 . . . . 228 K CD . 16954 1 1370 . 3 2 28 28 LYS CE C 13 41.727 0.42 . 1 . . . . 228 K CE . 16954 1 1371 . 3 2 28 28 LYS CG C 13 26.287 0.42 . 1 . . . . 228 K CG . 16954 1 1372 . 3 2 28 28 LYS N N 15 117.273 0.22 . 1 . . . . 228 K N . 16954 1 1373 . 3 2 29 29 ARG H H 1 7.855 0.08 . 1 . . . . 229 R HN . 16954 1 1374 . 3 2 29 29 ARG HA H 1 3.969 0.08 . 1 . . . . 229 R HA . 16954 1 1375 . 3 2 29 29 ARG HB2 H 1 1.938 0.08 . 2 . . . . 229 R QB . 16954 1 1376 . 3 2 29 29 ARG HB3 H 1 1.938 0.08 . 2 . . . . 229 R QB . 16954 1 1377 . 3 2 29 29 ARG HD2 H 1 3.228 0.08 . 2 . . . . 229 R HD2 . 16954 1 1378 . 3 2 29 29 ARG HD3 H 1 3.156 0.08 . 2 . . . . 229 R HD3 . 16954 1 1379 . 3 2 29 29 ARG HE H 1 7.564 0.08 . 1 . . . . 229 R HE . 16954 1 1380 . 3 2 29 29 ARG HG2 H 1 1.706 0.08 . 2 . . . . 229 R HG2 . 16954 1 1381 . 3 2 29 29 ARG HG3 H 1 1.511 0.08 . 2 . . . . 229 R HG3 . 16954 1 1382 . 3 2 29 29 ARG C C 13 179.959 0.42 . 1 . . . . 229 R CO . 16954 1 1383 . 3 2 29 29 ARG CA C 13 59.843 0.42 . 1 . . . . 229 R CA . 16954 1 1384 . 3 2 29 29 ARG CB C 13 30.666 0.42 . 1 . . . . 229 R CB . 16954 1 1385 . 3 2 29 29 ARG CD C 13 43.780 0.42 . 1 . . . . 229 R CD . 16954 1 1386 . 3 2 29 29 ARG CG C 13 27.598 0.42 . 1 . . . . 229 R CG . 16954 1 1387 . 3 2 29 29 ARG N N 15 118.510 0.22 . 1 . . . . 229 R N . 16954 1 1388 . 3 2 29 29 ARG NE N 15 103.709 0.22 . 1 . . . . 229 R NE . 16954 1 1389 . 3 2 30 30 GLN H H 1 8.604 0.08 . 1 . . . . 230 Q HN . 16954 1 1390 . 3 2 30 30 GLN HA H 1 4.013 0.08 . 1 . . . . 230 Q HA . 16954 1 1391 . 3 2 30 30 GLN HB2 H 1 2.078 0.08 . 2 . . . . 230 Q HB2 . 16954 1 1392 . 3 2 30 30 GLN HB3 H 1 1.958 0.08 . 2 . . . . 230 Q HB3 . 16954 1 1393 . 3 2 30 30 GLN HE21 H 1 7.693 0.08 . 2 . . . . 230 Q HE21 . 16954 1 1394 . 3 2 30 30 GLN HE22 H 1 6.648 0.08 . 2 . . . . 230 Q HE22 . 16954 1 1395 . 3 2 30 30 GLN HG2 H 1 2.515 0.08 . 2 . . . . 230 Q HG2 . 16954 1 1396 . 3 2 30 30 GLN HG3 H 1 2.417 0.08 . 2 . . . . 230 Q HG3 . 16954 1 1397 . 3 2 30 30 GLN C C 13 179.368 0.42 . 1 . . . . 230 Q CO . 16954 1 1398 . 3 2 30 30 GLN CA C 13 58.823 0.42 . 1 . . . . 230 Q CA . 16954 1 1399 . 3 2 30 30 GLN CB C 13 28.128 0.42 . 1 . . . . 230 Q CB . 16954 1 1400 . 3 2 30 30 GLN CG C 13 34.278 0.42 . 1 . . . . 230 Q CG . 16954 1 1401 . 3 2 30 30 GLN N N 15 119.083 0.22 . 1 . . . . 230 Q N . 16954 1 1402 . 3 2 30 30 GLN NE2 N 15 110.772 0.22 . 1 . . . . 230 Q NE . 16954 1 1403 . 3 2 31 31 ALA H H 1 8.691 0.08 . 1 . . . . 231 A HN . 16954 1 1404 . 3 2 31 31 ALA HA H 1 3.921 0.08 . 1 . . . . 231 A HA . 16954 1 1405 . 3 2 31 31 ALA HB1 H 1 1.355 0.08 . 1 . . . . 231 A QB . 16954 1 1406 . 3 2 31 31 ALA HB2 H 1 1.355 0.08 . 1 . . . . 231 A QB . 16954 1 1407 . 3 2 31 31 ALA HB3 H 1 1.355 0.08 . 1 . . . . 231 A QB . 16954 1 1408 . 3 2 31 31 ALA C C 13 178.548 0.42 . 1 . . . . 231 A CO . 16954 1 1409 . 3 2 31 31 ALA CA C 13 55.118 0.42 . 1 . . . . 231 A CA . 16954 1 1410 . 3 2 31 31 ALA CB C 13 19.534 0.42 . 1 . . . . 231 A CB . 16954 1 1411 . 3 2 31 31 ALA N N 15 122.115 0.22 . 1 . . . . 231 A N . 16954 1 1412 . 3 2 32 32 MET H H 1 7.886 0.08 . 1 . . . . 232 M HN . 16954 1 1413 . 3 2 32 32 MET HA H 1 3.996 0.08 . 1 . . . . 232 M HA . 16954 1 1414 . 3 2 32 32 MET HB2 H 1 2.171 0.08 . 2 . . . . 232 M HB2 . 16954 1 1415 . 3 2 32 32 MET HB3 H 1 1.990 0.08 . 2 . . . . 232 M HB3 . 16954 1 1416 . 3 2 32 32 MET HG2 H 1 2.678 0.08 . 2 . . . . 232 M HG2 . 16954 1 1417 . 3 2 32 32 MET HG3 H 1 2.444 0.08 . 2 . . . . 232 M HG3 . 16954 1 1418 . 3 2 32 32 MET C C 13 178.786 0.42 . 1 . . . . 232 M CO . 16954 1 1419 . 3 2 32 32 MET CA C 13 58.610 0.42 . 1 . . . . 232 M CA . 16954 1 1420 . 3 2 32 32 MET CB C 13 32.085 0.42 . 1 . . . . 232 M CB . 16954 1 1421 . 3 2 32 32 MET CG C 13 32.922 0.42 . 1 . . . . 232 M CG . 16954 1 1422 . 3 2 32 32 MET N N 15 114.365 0.22 . 1 . . . . 232 M N . 16954 1 1423 . 3 2 33 33 THR H H 1 7.863 0.08 . 1 . . . . 233 T HN . 16954 1 1424 . 3 2 33 33 THR HA H 1 3.905 0.08 . 1 . . . . 233 T HA . 16954 1 1425 . 3 2 33 33 THR HB H 1 4.236 0.08 . 1 . . . . 233 T HB . 16954 1 1426 . 3 2 33 33 THR HG21 H 1 1.215 0.08 . 1 . . . . 233 T HG2 . 16954 1 1427 . 3 2 33 33 THR HG22 H 1 1.215 0.08 . 1 . . . . 233 T HG2 . 16954 1 1428 . 3 2 33 33 THR HG23 H 1 1.215 0.08 . 1 . . . . 233 T HG2 . 16954 1 1429 . 3 2 33 33 THR C C 13 176.532 0.42 . 1 . . . . 233 T CO . 16954 1 1430 . 3 2 33 33 THR CA C 13 66.710 0.42 . 1 . . . . 233 T CA . 16954 1 1431 . 3 2 33 33 THR CB C 13 69.109 0.42 . 1 . . . . 233 T CB . 16954 1 1432 . 3 2 33 33 THR CG2 C 13 21.715 0.42 . 1 . . . . 233 T CG2 . 16954 1 1433 . 3 2 33 33 THR N N 15 115.189 0.22 . 1 . . . . 233 T N . 16954 1 1434 . 3 2 34 34 GLU H H 1 7.815 0.08 . 1 . . . . 234 E HN . 16954 1 1435 . 3 2 34 34 GLU HA H 1 3.989 0.08 . 1 . . . . 234 E HA . 16954 1 1436 . 3 2 34 34 GLU HB2 H 1 2.071 0.08 . 2 . . . . 234 E QB . 16954 1 1437 . 3 2 34 34 GLU HB3 H 1 2.071 0.08 . 2 . . . . 234 E QB . 16954 1 1438 . 3 2 34 34 GLU HG2 H 1 2.239 0.08 . 2 . . . . 234 E QG . 16954 1 1439 . 3 2 34 34 GLU HG3 H 1 2.239 0.08 . 2 . . . . 234 E QG . 16954 1 1440 . 3 2 34 34 GLU C C 13 178.473 0.42 . 1 . . . . 234 E CO . 16954 1 1441 . 3 2 34 34 GLU CA C 13 59.093 0.42 . 1 . . . . 234 E CA . 16954 1 1442 . 3 2 34 34 GLU CB C 13 29.037 0.42 . 1 . . . . 234 E CB . 16954 1 1443 . 3 2 34 34 GLU CG C 13 35.477 0.42 . 1 . . . . 234 E CG . 16954 1 1444 . 3 2 34 34 GLU N N 15 121.890 0.22 . 1 . . . . 234 E N . 16954 1 1445 . 3 2 35 35 LEU H H 1 7.606 0.08 . 1 . . . . 235 L HN . 16954 1 1446 . 3 2 35 35 LEU HA H 1 4.123 0.08 . 1 . . . . 235 L HA . 16954 1 1447 . 3 2 35 35 LEU HB2 H 1 1.729 0.08 . 2 . . . . 235 L HB2 . 16954 1 1448 . 3 2 35 35 LEU HB3 H 1 1.645 0.08 . 2 . . . . 235 L HB3 . 16954 1 1449 . 3 2 35 35 LEU HD11 H 1 0.867 0.08 . 1 . . . . 235 L QQD . 16954 1 1450 . 3 2 35 35 LEU HD12 H 1 0.867 0.08 . 1 . . . . 235 L QQD . 16954 1 1451 . 3 2 35 35 LEU HD13 H 1 0.867 0.08 . 1 . . . . 235 L QQD . 16954 1 1452 . 3 2 35 35 LEU HD21 H 1 0.867 0.08 . 1 . . . . 235 L QQD . 16954 1 1453 . 3 2 35 35 LEU HD22 H 1 0.867 0.08 . 1 . . . . 235 L QQD . 16954 1 1454 . 3 2 35 35 LEU HD23 H 1 0.867 0.08 . 1 . . . . 235 L QQD . 16954 1 1455 . 3 2 35 35 LEU HG H 1 1.752 0.08 . 1 . . . . 235 L HG . 16954 1 1456 . 3 2 35 35 LEU C C 13 178.029 0.42 . 1 . . . . 235 L CO . 16954 1 1457 . 3 2 35 35 LEU CA C 13 56.468 0.42 . 1 . . . . 235 L CA . 16954 1 1458 . 3 2 35 35 LEU CB C 13 42.630 0.42 . 1 . . . . 235 L CB . 16954 1 1459 . 3 2 35 35 LEU CD1 C 13 26.344 0.42 . 2 . . . . 235 L CD1 . 16954 1 1460 . 3 2 35 35 LEU CD2 C 13 24.202 0.42 . 2 . . . . 235 L CD2 . 16954 1 1461 . 3 2 35 35 LEU CG C 13 27.819 0.42 . 1 . . . . 235 L CG . 16954 1 1462 . 3 2 35 35 LEU N N 15 118.246 0.22 . 1 . . . . 235 L N . 16954 1 1463 . 3 2 36 36 GLN H H 1 7.623 0.08 . 1 . . . . 236 Q HN . 16954 1 1464 . 3 2 36 36 GLN HA H 1 4.232 0.08 . 1 . . . . 236 Q HA . 16954 1 1465 . 3 2 36 36 GLN HB2 H 1 2.163 0.08 . 2 . . . . 236 Q HB2 . 16954 1 1466 . 3 2 36 36 GLN HB3 H 1 2.048 0.08 . 2 . . . . 236 Q HB3 . 16954 1 1467 . 3 2 36 36 GLN HE21 H 1 7.234 0.08 . 2 . . . . 236 Q HE21 . 16954 1 1468 . 3 2 36 36 GLN HE22 H 1 6.754 0.08 . 2 . . . . 236 Q HE22 . 16954 1 1469 . 3 2 36 36 GLN HG2 H 1 2.467 0.08 . 2 . . . . 236 Q HG2 . 16954 1 1470 . 3 2 36 36 GLN HG3 H 1 2.334 0.08 . 2 . . . . 236 Q HG3 . 16954 1 1471 . 3 2 36 36 GLN C C 13 175.920 0.42 . 1 . . . . 236 Q CO . 16954 1 1472 . 3 2 36 36 GLN CA C 13 56.600 0.42 . 1 . . . . 236 Q CA . 16954 1 1473 . 3 2 36 36 GLN CB C 13 29.460 0.42 . 1 . . . . 236 Q CB . 16954 1 1474 . 3 2 36 36 GLN CG C 13 34.668 0.42 . 1 . . . . 236 Q CG . 16954 1 1475 . 3 2 36 36 GLN N N 15 116.723 0.22 . 1 . . . . 236 Q N . 16954 1 1476 . 3 2 36 36 GLN NE2 N 15 110.901 0.22 . 1 . . . . 236 Q NE . 16954 1 1477 . 3 2 37 37 LYS H H 1 7.500 0.08 . 1 . . . . 237 K HN . 16954 1 1478 . 3 2 37 37 LYS HA H 1 4.215 0.08 . 1 . . . . 237 K HA . 16954 1 1479 . 3 2 37 37 LYS HB2 H 1 1.855 0.08 . 2 . . . . 237 K HB2 . 16954 1 1480 . 3 2 37 37 LYS HB3 H 1 1.809 0.08 . 2 . . . . 237 K HB3 . 16954 1 1481 . 3 2 37 37 LYS HD2 H 1 1.647 0.08 . 2 . . . . 237 K QD . 16954 1 1482 . 3 2 37 37 LYS HD3 H 1 1.647 0.08 . 2 . . . . 237 K QD . 16954 1 1483 . 3 2 37 37 LYS HE2 H 1 2.942 0.08 . 2 . . . . 237 K QE . 16954 1 1484 . 3 2 37 37 LYS HE3 H 1 2.942 0.08 . 2 . . . . 237 K QE . 16954 1 1485 . 3 2 37 37 LYS HG2 H 1 1.490 0.08 . 2 . . . . 237 K HG2 . 16954 1 1486 . 3 2 37 37 LYS HG3 H 1 1.424 0.08 . 2 . . . . 237 K HG3 . 16954 1 1487 . 3 2 37 37 LYS C C 13 175.332 0.42 . 1 . . . . 237 K CO . 16954 1 1488 . 3 2 37 37 LYS CA C 13 57.031 0.42 . 1 . . . . 237 K CA . 16954 1 1489 . 3 2 37 37 LYS CB C 13 33.190 0.42 . 1 . . . . 237 K CB . 16954 1 1490 . 3 2 37 37 LYS CD C 13 29.517 0.42 . 1 . . . . 237 K CD . 16954 1 1491 . 3 2 37 37 LYS CE C 13 42.671 0.42 . 1 . . . . 237 K CE . 16954 1 1492 . 3 2 37 37 LYS CG C 13 24.961 0.42 . 1 . . . . 237 K CG . 16954 1 1493 . 3 2 37 37 LYS N N 15 120.605 0.22 . 1 . . . . 237 K N . 16954 1 1494 . 3 2 38 38 ALA H H 1 7.728 0.08 . 1 . . . . 238 A HN . 16954 1 1495 . 3 2 38 38 ALA HA H 1 4.084 0.08 . 1 . . . . 238 A HA . 16954 1 1496 . 3 2 38 38 ALA HB1 H 1 1.315 0.08 . 1 . . . . 238 A QB . 16954 1 1497 . 3 2 38 38 ALA HB2 H 1 1.315 0.08 . 1 . . . . 238 A QB . 16954 1 1498 . 3 2 38 38 ALA HB3 H 1 1.315 0.08 . 1 . . . . 238 A QB . 16954 1 1499 . 3 2 38 38 ALA CA C 13 53.180 0.42 . 1 . . . . 238 A CA . 16954 1 1500 . 3 2 38 38 ALA CB C 13 20.306 0.42 . 1 . . . . 238 A CB . 16954 1 1501 . 3 2 38 38 ALA N N 15 130.347 0.22 . 1 . . . . 238 A N . 16954 1 stop_ save_