data_5228 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5228 _Entry.Title ; Letter to the Editor: Assignment of a 15 kDa protein complex formed between the p160 coactivator ACTR and the CREB binding protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-12-10 _Entry.Accession_date 2001-12-10 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Stephen Demarest . J. . 5228 2 John Chung . H. . 5228 3 H. Dyson . J. . 5228 4 Peter Wright . E. . 5228 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5228 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 743 5228 '13C chemical shifts' 480 5228 '15N chemical shifts' 119 5228 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-08-22 2001-12-10 original author . 5228 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5228 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22012550 _Citation.DOI . _Citation.PubMed_ID 12018488 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of a 15 kDa protein complex formed between the p160 coactivator ACTR and the CREB binding protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 4 _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 377 _Citation.Page_last 378 _Citation.Year 2002 _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 Stephen Demarest . J. . 5228 1 2 John Chung . H. . 5228 1 3 H. Dyson . J. . 5228 1 4 Peter Wright . E. . 5228 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID transcription 5228 1 coactivator 5228 1 CBP/p300 5228 1 'NMR assignment' 5228 1 p160 5228 1 ACTR 5228 1 'nuclear hormone receptor' 5228 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ACTR _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ACTR _Assembly.Entry_ID 5228 _Assembly.ID 1 _Assembly.Name 'ACTR in complex with the CREB binding protein, CBP' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID heterodimer 5228 1 stop_ 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 ACTR 1 $ACTR . . . native . . . . . 5228 1 2 'CREB binding protein' 2 $CBP . . . native . . . . . 5228 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ACTR in complex with the CREB binding protein, CBP' system 5228 1 ACTR_CBP abbreviation 5228 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'coactivator of nuclear hormone receptor mediated transcription' 5228 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ACTR _Entity.Sf_category entity _Entity.Sf_framecode ACTR _Entity.Entry_ID 5228 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ACTR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTQNRPLLRNSLDDLVGPPS NLEGQSDERALLDQLHTLLS NTDATGLEEIDRALGIPELV NQGQALEPKQD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15398 . CBP . . . . . 100.00 59 100.00 100.00 1.44e-31 . . . . 5228 1 2 no BMRB 16363 . CBP . . . . . 100.00 59 100.00 100.00 1.44e-31 . . . . 5228 1 3 no BMRB 17073 . CBP . . . . . 100.00 59 100.00 100.00 1.44e-31 . . . . 5228 1 4 no PDB 1JJS . "Nmr Structure Of Ibid, A Domain Of CbpP300" . . . . . 77.97 50 100.00 100.00 3.47e-14 . . . . 5228 1 5 no PDB 1KBH . "Mutual Synergistic Folding In The Interaction Between Nuclear Receptor Coactivators Cbp And Actr" . . . . . 98.31 59 100.00 100.00 9.52e-31 . . . . 5228 1 6 no PDB 1ZOQ . "Irf3-Cbp Complex" . . . . . 79.66 47 100.00 100.00 1.17e-14 . . . . 5228 1 7 no PDB 2C52 . "Structural Diversity In Cbp P160 Complexes" . . . . . 100.00 59 100.00 100.00 1.44e-31 . . . . 5228 1 8 no PDB 2KKJ . "Solution Structure Of The Nuclear Coactivator Binding Domain Of Cbp" . . . . . 100.00 59 100.00 100.00 1.44e-31 . . . . 5228 1 9 no PDB 2L14 . "Structure Of Cbp Nuclear Coactivator Binding Domain In Complex With P53 Tad" . . . . . 100.00 59 100.00 100.00 1.44e-31 . . . . 5228 1 10 no DBJ BAE06125 . "CREBBP variant protein [Homo sapiens]" . . . . . 100.00 2472 98.31 98.31 1.02e-26 . . . . 5228 1 11 no DBJ BAI45616 . "CREB binding protein [synthetic construct]" . . . . . 100.00 2442 98.31 98.31 1.09e-26 . . . . 5228 1 12 no GB AAB28651 . "CREB-binding protein [Mus sp.]" . . . . . 100.00 2441 100.00 100.00 7.34e-28 . . . . 5228 1 13 no GB AAC17736 . "CBP [Homo sapiens]" . . . . . 100.00 923 98.31 98.31 6.70e-27 . . . . 5228 1 14 no GB AAC51331 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 98.31 98.31 1.09e-26 . . . . 5228 1 15 no GB AAC51340 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 932 98.31 98.31 7.55e-27 . . . . 5228 1 16 no GB AAC51770 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 98.31 98.31 1.09e-26 . . . . 5228 1 17 no PRF 1923401A . "protein CBP" . . . . . 100.00 2441 100.00 100.00 7.55e-28 . . . . 5228 1 18 no REF NP_001020603 . "CREB-binding protein [Mus musculus]" . . . . . 100.00 2441 98.31 98.31 1.05e-26 . . . . 5228 1 19 no REF NP_001073315 . "CREB-binding protein isoform b [Homo sapiens]" . . . . . 100.00 2404 98.31 98.31 1.02e-26 . . . . 5228 1 20 no REF NP_001247644 . "CREB-binding protein [Macaca mulatta]" . . . . . 100.00 2442 98.31 98.31 1.12e-26 . . . . 5228 1 21 no REF NP_004371 . "CREB-binding protein isoform a [Homo sapiens]" . . . . . 100.00 2442 98.31 98.31 1.09e-26 . . . . 5228 1 22 no REF NP_596872 . "CREB-binding protein [Rattus norvegicus]" . . . . . 100.00 2444 98.31 98.31 1.01e-26 . . . . 5228 1 23 no SP P45481 . "RecName: Full=CREB-binding protein [Mus musculus]" . . . . . 100.00 2441 98.31 98.31 1.11e-26 . . . . 5228 1 24 no SP Q6JHU9 . "RecName: Full=CREB-binding protein [Rattus norvegicus]" . . . . . 100.00 2442 98.31 98.31 9.41e-27 . . . . 5228 1 25 no SP Q92793 . "RecName: Full=CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 98.31 98.31 1.09e-26 . . . . 5228 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ACTR common 5228 1 ACTR abbreviation 5228 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 . 5228 1 2 . THR . 5228 1 3 . GLN . 5228 1 4 . ASN . 5228 1 5 . ARG . 5228 1 6 . PRO . 5228 1 7 . LEU . 5228 1 8 . LEU . 5228 1 9 . ARG . 5228 1 10 . ASN . 5228 1 11 . SER . 5228 1 12 . LEU . 5228 1 13 . ASP . 5228 1 14 . ASP . 5228 1 15 . LEU . 5228 1 16 . VAL . 5228 1 17 . GLY . 5228 1 18 . PRO . 5228 1 19 . PRO . 5228 1 20 . SER . 5228 1 21 . ASN . 5228 1 22 . LEU . 5228 1 23 . GLU . 5228 1 24 . GLY . 5228 1 25 . GLN . 5228 1 26 . SER . 5228 1 27 . ASP . 5228 1 28 . GLU . 5228 1 29 . ARG . 5228 1 30 . ALA . 5228 1 31 . LEU . 5228 1 32 . LEU . 5228 1 33 . ASP . 5228 1 34 . GLN . 5228 1 35 . LEU . 5228 1 36 . HIS . 5228 1 37 . THR . 5228 1 38 . LEU . 5228 1 39 . LEU . 5228 1 40 . SER . 5228 1 41 . ASN . 5228 1 42 . THR . 5228 1 43 . ASP . 5228 1 44 . ALA . 5228 1 45 . THR . 5228 1 46 . GLY . 5228 1 47 . LEU . 5228 1 48 . GLU . 5228 1 49 . GLU . 5228 1 50 . ILE . 5228 1 51 . ASP . 5228 1 52 . ARG . 5228 1 53 . ALA . 5228 1 54 . LEU . 5228 1 55 . GLY . 5228 1 56 . ILE . 5228 1 57 . PRO . 5228 1 58 . GLU . 5228 1 59 . LEU . 5228 1 60 . VAL . 5228 1 61 . ASN . 5228 1 62 . GLN . 5228 1 63 . GLY . 5228 1 64 . GLN . 5228 1 65 . ALA . 5228 1 66 . LEU . 5228 1 67 . GLU . 5228 1 68 . PRO . 5228 1 69 . LYS . 5228 1 70 . GLN . 5228 1 71 . ASP . 5228 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 5228 1 . THR 2 2 5228 1 . GLN 3 3 5228 1 . ASN 4 4 5228 1 . ARG 5 5 5228 1 . PRO 6 6 5228 1 . LEU 7 7 5228 1 . LEU 8 8 5228 1 . ARG 9 9 5228 1 . ASN 10 10 5228 1 . SER 11 11 5228 1 . LEU 12 12 5228 1 . ASP 13 13 5228 1 . ASP 14 14 5228 1 . LEU 15 15 5228 1 . VAL 16 16 5228 1 . GLY 17 17 5228 1 . PRO 18 18 5228 1 . PRO 19 19 5228 1 . SER 20 20 5228 1 . ASN 21 21 5228 1 . LEU 22 22 5228 1 . GLU 23 23 5228 1 . GLY 24 24 5228 1 . GLN 25 25 5228 1 . SER 26 26 5228 1 . ASP 27 27 5228 1 . GLU 28 28 5228 1 . ARG 29 29 5228 1 . ALA 30 30 5228 1 . LEU 31 31 5228 1 . LEU 32 32 5228 1 . ASP 33 33 5228 1 . GLN 34 34 5228 1 . LEU 35 35 5228 1 . HIS 36 36 5228 1 . THR 37 37 5228 1 . LEU 38 38 5228 1 . LEU 39 39 5228 1 . SER 40 40 5228 1 . ASN 41 41 5228 1 . THR 42 42 5228 1 . ASP 43 43 5228 1 . ALA 44 44 5228 1 . THR 45 45 5228 1 . GLY 46 46 5228 1 . LEU 47 47 5228 1 . GLU 48 48 5228 1 . GLU 49 49 5228 1 . ILE 50 50 5228 1 . ASP 51 51 5228 1 . ARG 52 52 5228 1 . ALA 53 53 5228 1 . LEU 54 54 5228 1 . GLY 55 55 5228 1 . ILE 56 56 5228 1 . PRO 57 57 5228 1 . GLU 58 58 5228 1 . LEU 59 59 5228 1 . VAL 60 60 5228 1 . ASN 61 61 5228 1 . GLN 62 62 5228 1 . GLY 63 63 5228 1 . GLN 64 64 5228 1 . ALA 65 65 5228 1 . LEU 66 66 5228 1 . GLU 67 67 5228 1 . PRO 68 68 5228 1 . LYS 69 69 5228 1 . GLN 70 70 5228 1 . ASP 71 71 5228 1 stop_ save_ save_CBP _Entity.Sf_category entity _Entity.Sf_framecode CBP _Entity.Entry_ID 5228 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'CREB binding protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PNRSISPSALQDLLRTLKSP SSPQQQQQVLNILKSNPQLM AAFIKQRTAKYVANQPGMQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT P45481 . 'CREB-binding protein' . . . . . 100.00 2441 100.00 100.00 7.00e-25 . . . . 5228 2 . . SWISS-PROT Q92793 . 'CREB-binding protein' . . . . . 100.00 2442 98.31 98.31 7.24e-24 . . . . 5228 2 . . REF NP_596872 . 'CREB binding protein [Rattus norvegicus]' . . . . . 100.00 2442 98.31 98.31 6.39e-24 . . . . 5228 2 . . REF XP_001095225 . 'PREDICTED: CREB binding protein [Macaca mulatta]' . . . . . 100.00 2442 98.31 98.31 7.43e-24 . . . . 5228 2 . . REF NP_001073315 . 'CREB binding protein isoform b [Homo sapiens]' . . . . . 100.00 2404 98.31 98.31 6.89e-24 . . . . 5228 2 . . REF NP_004371 . 'CREB binding protein isoform a [Homo sapiens]' . . . . . 100.00 2442 98.31 98.31 7.24e-24 . . . . 5228 2 . . PRF 1923401A . 'protein CBP' . . . . . 100.00 2441 100.00 100.00 7.18e-25 . . . . 5228 2 . . REF NP_001020603 . 'CREB binding protein [Mus musculus]' . . . . . 100.00 2441 98.31 98.31 7.01e-24 . . . . 5228 2 . . GenBank AAC51340 . 'CREB-binding protein [Homo sapiens]' . . . . . 100.00 932 98.31 98.31 8.56e-24 . . . . 5228 2 . . GenBank AAC51770 . 'CREB-binding protein' . . . . . 100.00 2442 98.31 98.31 7.24e-24 . . . . 5228 2 . . GenBank AAC17736 . 'CBP [Homo sapiens]' . . . . . 100.00 923 98.31 98.31 7.81e-24 . . . . 5228 2 . . GenBank AAC51331 . 'CREB-binding protein [Homo sapiens]' . . . . . 100.00 2442 98.31 98.31 7.24e-24 . . . . 5228 2 . . DBJ BAE06125 . 'CREBBP variant protein [Homo sapiens]' . . . . . 100.00 2472 98.31 98.31 6.83e-24 . . . . 5228 2 . . GenBank AAB28651 . 'CREB-binding protein; CBP [Mus sp.]' . . . . . 100.00 2441 100.00 100.00 7.00e-25 . . . . 5228 2 . . PDB 1ZOQ . 'Irf3-Cbp Complex' . . . . . 79.66 47 100.00 100.00 2.22e-11 . . . . 5228 2 . . PDB 2C52 . 'Structural Diversity In Cbp P160 Complexes' . . . . . 100.00 59 100.00 100.00 1.60e-24 . . . . 5228 2 . . PDB 1JJS . 'Nmr Structure Of Ibid, A Domain Of CbpP300' . . . . . 77.97 50 100.00 100.00 4.95e-11 . . . . 5228 2 . . PDB 1KBH . 'Mutual Synergistic Folding In The Interaction Between Nuclear Receptor Coactivators Cbp And Actr' . . . . . 100.00 59 100.00 100.00 1.60e-24 . . . . 5228 2 . . BMRB 15398 . CBP . . . . . 100.00 59 100.00 100.00 1.60e-24 . . . . 5228 2 . . BMRB 6874 . 'CREB-Binding Protein' . . . . . 100.00 60 100.00 100.00 1.51e-24 . . . . 5228 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CREB binding protein' common 5228 2 CBP abbreviation 5228 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 . PRO . 5228 2 2 . ASN . 5228 2 3 . ARG . 5228 2 4 . SER . 5228 2 5 . ILE . 5228 2 6 . SER . 5228 2 7 . PRO . 5228 2 8 . SER . 5228 2 9 . ALA . 5228 2 10 . LEU . 5228 2 11 . GLN . 5228 2 12 . ASP . 5228 2 13 . LEU . 5228 2 14 . LEU . 5228 2 15 . ARG . 5228 2 16 . THR . 5228 2 17 . LEU . 5228 2 18 . LYS . 5228 2 19 . SER . 5228 2 20 . PRO . 5228 2 21 . SER . 5228 2 22 . SER . 5228 2 23 . PRO . 5228 2 24 . GLN . 5228 2 25 . GLN . 5228 2 26 . GLN . 5228 2 27 . GLN . 5228 2 28 . GLN . 5228 2 29 . VAL . 5228 2 30 . LEU . 5228 2 31 . ASN . 5228 2 32 . ILE . 5228 2 33 . LEU . 5228 2 34 . LYS . 5228 2 35 . SER . 5228 2 36 . ASN . 5228 2 37 . PRO . 5228 2 38 . GLN . 5228 2 39 . LEU . 5228 2 40 . MET . 5228 2 41 . ALA . 5228 2 42 . ALA . 5228 2 43 . PHE . 5228 2 44 . ILE . 5228 2 45 . LYS . 5228 2 46 . GLN . 5228 2 47 . ARG . 5228 2 48 . THR . 5228 2 49 . ALA . 5228 2 50 . LYS . 5228 2 51 . TYR . 5228 2 52 . VAL . 5228 2 53 . ALA . 5228 2 54 . ASN . 5228 2 55 . GLN . 5228 2 56 . PRO . 5228 2 57 . GLY . 5228 2 58 . MET . 5228 2 59 . GLN . 5228 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 . PRO 1 1 5228 2 . ASN 2 2 5228 2 . ARG 3 3 5228 2 . SER 4 4 5228 2 . ILE 5 5 5228 2 . SER 6 6 5228 2 . PRO 7 7 5228 2 . SER 8 8 5228 2 . ALA 9 9 5228 2 . LEU 10 10 5228 2 . GLN 11 11 5228 2 . ASP 12 12 5228 2 . LEU 13 13 5228 2 . LEU 14 14 5228 2 . ARG 15 15 5228 2 . THR 16 16 5228 2 . LEU 17 17 5228 2 . LYS 18 18 5228 2 . SER 19 19 5228 2 . PRO 20 20 5228 2 . SER 21 21 5228 2 . SER 22 22 5228 2 . PRO 23 23 5228 2 . GLN 24 24 5228 2 . GLN 25 25 5228 2 . GLN 26 26 5228 2 . GLN 27 27 5228 2 . GLN 28 28 5228 2 . VAL 29 29 5228 2 . LEU 30 30 5228 2 . ASN 31 31 5228 2 . ILE 32 32 5228 2 . LEU 33 33 5228 2 . LYS 34 34 5228 2 . SER 35 35 5228 2 . ASN 36 36 5228 2 . PRO 37 37 5228 2 . GLN 38 38 5228 2 . LEU 39 39 5228 2 . MET 40 40 5228 2 . ALA 41 41 5228 2 . ALA 42 42 5228 2 . PHE 43 43 5228 2 . ILE 44 44 5228 2 . LYS 45 45 5228 2 . GLN 46 46 5228 2 . ARG 47 47 5228 2 . THR 48 48 5228 2 . ALA 49 49 5228 2 . LYS 50 50 5228 2 . TYR 51 51 5228 2 . VAL 52 52 5228 2 . ALA 53 53 5228 2 . ASN 54 54 5228 2 . GLN 55 55 5228 2 . PRO 56 56 5228 2 . GLY 57 57 5228 2 . MET 58 58 5228 2 . GLN 59 59 5228 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 5228 _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 $ACTR . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5228 1 2 2 $CBP . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 5228 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 5228 _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 $ACTR . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 2 2 $CBP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5228 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ACTR '[U-95% 13C; U-90% 15N]' . . 1 $ACTR . . . 1.0 5.0 mM . . . . 5228 1 2 'CREB binding protein' . . . 2 $CBP . . . 1.0 5.0 mM . . . . 5228 1 3 TrisHCl . . . . . . . 10 . . mM . . . . 5228 1 4 NaCl . . . . . . . 50 . . mM . . . . 5228 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5228 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ACTR '[U-90% 15N]' . . 1 $ACTR . . . 1.0 5.0 mM . . . . 5228 2 2 'CREB binding protein' . . . 2 $CBP . . . 1.0 5.0 mM . . . . 5228 2 3 TrisHCl . . . . . . . 10 . . mM . . . . 5228 2 4 NaCl . . . . . . . 50 . . mM . . . . 5228 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5228 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ACTR . . . 1 $ACTR . . . 1.0 5.0 mM . . . . 5228 3 2 'CREB binding protein' '[U-95% 13C; U-90% 15N]' . . 2 $CBP . . . 1.0 5.0 mM . . . . 5228 3 3 TrisHCl . . . . . . . 10 . . mM . . . . 5228 3 4 NaCl . . . . . . . 50 . . mM . . . . 5228 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5228 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ACTR . . . 1 $ACTR . . . 1.0 5.0 mM . . . . 5228 4 2 'CREB binding protein' '[U-90% 15N]' . . 2 $CBP . . . 1.0 5.0 mM . . . . 5228 4 3 TrisHCl . . . . . . . 10 . . mM . . . . 5228 4 4 NaCl . . . . . . . 50 . . mM . . . . 5228 4 stop_ save_ ####################### # Sample conditions # ####################### save_Native_cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Native_cond _Sample_condition_list.Entry_ID 5228 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 0.1 n/a 5228 1 temperature 304 1 K 5228 1 'ionic strength' 0.06 0.005 M 5228 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 5228 _Software.ID 1 _Software.Name NMRVIEW _Software.Version 3.0 _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Guang, Z., Pfeifer, J. & Bax, A. J. Biomol. NMR, 6, 277-293 (1995) . ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 5228 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5228 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5228 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5228 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 5228 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 5228 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_6 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_6 _NMR_spectrometer.Entry_ID 5228 _NMR_spectrometer.ID 6 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5228 _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 NMR_spectrometer_1 Bruker AMX . 500 . . . 5228 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 5228 1 3 NMR_spectrometer_3 Bruker DMX . 600 . . . 5228 1 4 NMR_spectrometer_4 Bruker AMX . 600 . . . 5228 1 5 NMR_spectrometer_5 Bruker DMX . 750 . . . 5228 1 6 NMR_spectrometer_6 Bruker DRX . 800 . . . 5228 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 5228 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N HSQC NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 2 '3D 1H-13C HSQC NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 3 '3D 12C-filtered/1H-13C-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 4 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 6 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 7 HBHACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 8 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 9 '2D CGCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 10 '2D CGCN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 11 '3D HACACB-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 12 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 13 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 14 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 15 '3D CCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 16 '3D CCH-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 17 '3D 1H-15N HSQC TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5228 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 1H-15N HSQC NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 1H-13C HSQC NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 12C-filtered/1H-13C-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D CGCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '2D CGCN' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HACACB-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D HNHB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D CCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D CCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 5228 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '3D 1H-15N HSQC TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5228 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5228 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5228 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5228 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_ACTR_cs _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ACTR_cs _Assigned_chem_shift_list.Entry_ID 5228 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Native_cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5228 1 . . 2 $sample_2 . 5228 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 H H 1 8.45 0.01 . 1 . . . . . . . . 5228 1 2 . 1 1 1 1 GLY HA2 H 1 3.98 0.02 . 2 . . . . . . . . 5228 1 3 . 1 1 1 1 GLY C C 13 174.4 0.1 . 1 . . . . . . . . 5228 1 4 . 1 1 1 1 GLY CA C 13 45.6 0.1 . 1 . . . . . . . . 5228 1 5 . 1 1 1 1 GLY N N 15 110.2 0.1 . 1 . . . . . . . . 5228 1 6 . 1 1 2 2 THR H H 1 8.19 0.01 . 1 . . . . . . . . 5228 1 7 . 1 1 2 2 THR HA H 1 4.36 0.02 . 1 . . . . . . . . 5228 1 8 . 1 1 2 2 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 5228 1 9 . 1 1 2 2 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 5228 1 10 . 1 1 2 2 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 5228 1 11 . 1 1 2 2 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 5228 1 12 . 1 1 2 2 THR C C 13 174.8 0.1 . 1 . . . . . . . . 5228 1 13 . 1 1 2 2 THR CA C 13 62.1 0.1 . 1 . . . . . . . . 5228 1 14 . 1 1 2 2 THR CB C 13 69.7 0.1 . 1 . . . . . . . . 5228 1 15 . 1 1 2 2 THR CG2 C 13 21.8 0.1 . 1 . . . . . . . . 5228 1 16 . 1 1 2 2 THR N N 15 114.4 0.1 . 1 . . . . . . . . 5228 1 17 . 1 1 3 3 GLN H H 1 8.50 0.01 . 1 . . . . . . . . 5228 1 18 . 1 1 3 3 GLN HA H 1 4.34 0.02 . 1 . . . . . . . . 5228 1 19 . 1 1 3 3 GLN C C 13 175.6 0.1 . 1 . . . . . . . . 5228 1 20 . 1 1 3 3 GLN CA C 13 56.0 0.1 . 1 . . . . . . . . 5228 1 21 . 1 1 3 3 GLN CB C 13 29.4 0.1 . 1 . . . . . . . . 5228 1 22 . 1 1 3 3 GLN CG C 13 33.9 0.1 . 1 . . . . . . . . 5228 1 23 . 1 1 3 3 GLN N N 15 123.0 0.1 . 1 . . . . . . . . 5228 1 24 . 1 1 4 4 ASN H H 1 8.49 0.01 . 1 . . . . . . . . 5228 1 25 . 1 1 4 4 ASN HA H 1 4.74 0.02 . 1 . . . . . . . . 5228 1 26 . 1 1 4 4 ASN HB2 H 1 2.86 0.02 . 2 . . . . . . . . 5228 1 27 . 1 1 4 4 ASN HB3 H 1 2.79 0.02 . 2 . . . . . . . . 5228 1 28 . 1 1 4 4 ASN C C 13 174.7 0.1 . 1 . . . . . . . . 5228 1 29 . 1 1 4 4 ASN CA C 13 53.3 0.1 . 1 . . . . . . . . 5228 1 30 . 1 1 4 4 ASN CB C 13 38.8 0.1 . 1 . . . . . . . . 5228 1 31 . 1 1 4 4 ASN N N 15 120.7 0.1 . 1 . . . . . . . . 5228 1 32 . 1 1 5 5 ARG H H 1 8.23 0.01 . 1 . . . . . . . . 5228 1 33 . 1 1 5 5 ARG HA H 1 4.66 0.02 . 1 . . . . . . . . 5228 1 34 . 1 1 5 5 ARG CA C 13 55.6 0.1 . 1 . . . . . . . . 5228 1 35 . 1 1 5 5 ARG N N 15 122.7 0.1 . 1 . . . . . . . . 5228 1 36 . 1 1 6 6 PRO HB2 H 1 2.30 0.02 . 2 . . . . . . . . 5228 1 37 . 1 1 6 6 PRO HB3 H 1 1.96 0.02 . 2 . . . . . . . . 5228 1 38 . 1 1 6 6 PRO HG2 H 1 2.03 0.02 . 1 . . . . . . . . 5228 1 39 . 1 1 6 6 PRO HG3 H 1 2.03 0.02 . 1 . . . . . . . . 5228 1 40 . 1 1 6 6 PRO C C 13 176.6 0.1 . 1 . . . . . . . . 5228 1 41 . 1 1 6 6 PRO CA C 13 63.2 0.1 . 1 . . . . . . . . 5228 1 42 . 1 1 6 6 PRO CB C 13 32.1 0.1 . 1 . . . . . . . . 5228 1 43 . 1 1 6 6 PRO CG C 13 27.5 0.1 . 1 . . . . . . . . 5228 1 44 . 1 1 6 6 PRO CD C 13 50.6 0.1 . 1 . . . . . . . . 5228 1 45 . 1 1 7 7 LEU H H 1 8.32 0.01 . 1 . . . . . . . . 5228 1 46 . 1 1 7 7 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 5228 1 47 . 1 1 7 7 LEU C C 13 177.1 0.1 . 1 . . . . . . . . 5228 1 48 . 1 1 7 7 LEU CA C 13 55.2 0.1 . 1 . . . . . . . . 5228 1 49 . 1 1 7 7 LEU CB C 13 42.4 0.1 . 1 . . . . . . . . 5228 1 50 . 1 1 7 7 LEU CG C 13 27.5 0.1 . 1 . . . . . . . . 5228 1 51 . 1 1 7 7 LEU CD1 C 13 25.3 0.1 . 1 . . . . . . . . 5228 1 52 . 1 1 7 7 LEU CD2 C 13 22.9 0.1 . 1 . . . . . . . . 5228 1 53 . 1 1 7 7 LEU N N 15 122.9 0.1 . 1 . . . . . . . . 5228 1 54 . 1 1 8 8 LEU H H 1 8.21 0.01 . 1 . . . . . . . . 5228 1 55 . 1 1 8 8 LEU HA H 1 4.42 0.02 . 1 . . . . . . . . 5228 1 56 . 1 1 8 8 LEU C C 13 177.0 0.1 . 1 . . . . . . . . 5228 1 57 . 1 1 8 8 LEU CA C 13 54.9 0.1 . 1 . . . . . . . . 5228 1 58 . 1 1 8 8 LEU CB C 13 42.4 0.1 . 1 . . . . . . . . 5228 1 59 . 1 1 8 8 LEU CG C 13 27.2 0.1 . 1 . . . . . . . . 5228 1 60 . 1 1 8 8 LEU CD1 C 13 25.3 0.1 . 2 . . . . . . . . 5228 1 61 . 1 1 8 8 LEU CD2 C 13 21.6 0.1 . 2 . . . . . . . . 5228 1 62 . 1 1 8 8 LEU N N 15 123.9 0.1 . 1 . . . . . . . . 5228 1 63 . 1 1 9 9 ARG H H 1 8.34 0.01 . 1 . . . . . . . . 5228 1 64 . 1 1 9 9 ARG HA H 1 4.34 0.02 . 1 . . . . . . . . 5228 1 65 . 1 1 9 9 ARG HB2 H 1 1.85 0.02 . 1 . . . . . . . . 5228 1 66 . 1 1 9 9 ARG HB3 H 1 1.85 0.02 . 1 . . . . . . . . 5228 1 67 . 1 1 9 9 ARG C C 13 175.9 0.1 . 1 . . . . . . . . 5228 1 68 . 1 1 9 9 ARG CA C 13 56.0 0.1 . 1 . . . . . . . . 5228 1 69 . 1 1 9 9 ARG CB C 13 31.0 0.1 . 1 . . . . . . . . 5228 1 70 . 1 1 9 9 ARG CG C 13 27.5 0.1 . 1 . . . . . . . . 5228 1 71 . 1 1 9 9 ARG CD C 13 43.3 0.1 . 1 . . . . . . . . 5228 1 72 . 1 1 9 9 ARG N N 15 122.4 0.1 . 1 . . . . . . . . 5228 1 73 . 1 1 10 10 ASN H H 1 8.55 0.01 . 1 . . . . . . . . 5228 1 74 . 1 1 10 10 ASN HA H 1 4.69 0.02 . 1 . . . . . . . . 5228 1 75 . 1 1 10 10 ASN HB2 H 1 2.86 0.02 . 2 . . . . . . . . 5228 1 76 . 1 1 10 10 ASN HB3 H 1 2.75 0.02 . 2 . . . . . . . . 5228 1 77 . 1 1 10 10 ASN C C 13 175.3 0.1 . 1 . . . . . . . . 5228 1 78 . 1 1 10 10 ASN CA C 13 53.3 0.1 . 1 . . . . . . . . 5228 1 79 . 1 1 10 10 ASN CB C 13 39.3 0.1 . 1 . . . . . . . . 5228 1 80 . 1 1 10 10 ASN N N 15 120.7 0.1 . 1 . . . . . . . . 5228 1 81 . 1 1 11 11 SER H H 1 8.36 0.01 . 1 . . . . . . . . 5228 1 82 . 1 1 11 11 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 5228 1 83 . 1 1 11 11 SER C C 13 174.9 0.1 . 1 . . . . . . . . 5228 1 84 . 1 1 11 11 SER CA C 13 58.7 0.1 . 1 . . . . . . . . 5228 1 85 . 1 1 11 11 SER CB C 13 64.1 0.1 . 1 . . . . . . . . 5228 1 86 . 1 1 11 11 SER N N 15 116.9 0.1 . 1 . . . . . . . . 5228 1 87 . 1 1 12 12 LEU H H 1 8.36 0.01 . 1 . . . . . . . . 5228 1 88 . 1 1 12 12 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 5228 1 89 . 1 1 12 12 LEU C C 13 177.6 0.1 . 1 . . . . . . . . 5228 1 90 . 1 1 12 12 LEU CA C 13 55.9 0.1 . 1 . . . . . . . . 5228 1 91 . 1 1 12 12 LEU CB C 13 41.9 0.1 . 1 . . . . . . . . 5228 1 92 . 1 1 12 12 LEU CG C 13 27.5 0.1 . 1 . . . . . . . . 5228 1 93 . 1 1 12 12 LEU CD1 C 13 25.3 0.1 . 2 . . . . . . . . 5228 1 94 . 1 1 12 12 LEU N N 15 123.8 0.1 . 1 . . . . . . . . 5228 1 95 . 1 1 13 13 ASP H H 1 8.12 0.01 . 1 . . . . . . . . 5228 1 96 . 1 1 13 13 ASP HA H 1 4.53 0.02 . 1 . . . . . . . . 5228 1 97 . 1 1 13 13 ASP HB2 H 1 2.60 0.02 . 1 . . . . . . . . 5228 1 98 . 1 1 13 13 ASP HB3 H 1 2.60 0.02 . 1 . . . . . . . . 5228 1 99 . 1 1 13 13 ASP C C 13 176.3 0.1 . 1 . . . . . . . . 5228 1 100 . 1 1 13 13 ASP CA C 13 55.2 0.1 . 1 . . . . . . . . 5228 1 101 . 1 1 13 13 ASP CB C 13 41.3 0.1 . 1 . . . . . . . . 5228 1 102 . 1 1 13 13 ASP N N 15 120.2 0.1 . 1 . . . . . . . . 5228 1 103 . 1 1 14 14 ASP H H 1 8.12 0.01 . 1 . . . . . . . . 5228 1 104 . 1 1 14 14 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 5228 1 105 . 1 1 14 14 ASP HB2 H 1 2.68 0.02 . 2 . . . . . . . . 5228 1 106 . 1 1 14 14 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 5228 1 107 . 1 1 14 14 ASP C C 13 176.3 0.1 . 1 . . . . . . . . 5228 1 108 . 1 1 14 14 ASP CA C 13 54.7 0.1 . 1 . . . . . . . . 5228 1 109 . 1 1 14 14 ASP CB C 13 41.3 0.1 . 1 . . . . . . . . 5228 1 110 . 1 1 14 14 ASP N N 15 120.2 0.1 . 1 . . . . . . . . 5228 1 111 . 1 1 15 15 LEU H H 1 8.06 0.01 . 1 . . . . . . . . 5228 1 112 . 1 1 15 15 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 5228 1 113 . 1 1 15 15 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 5228 1 114 . 1 1 15 15 LEU CA C 13 55.6 0.1 . 1 . . . . . . . . 5228 1 115 . 1 1 15 15 LEU CB C 13 42.4 0.1 . 1 . . . . . . . . 5228 1 116 . 1 1 15 15 LEU CG C 13 27.5 0.1 . 1 . . . . . . . . 5228 1 117 . 1 1 15 15 LEU CD1 C 13 25.3 0.1 . 2 . . . . . . . . 5228 1 118 . 1 1 15 15 LEU N N 15 122.0 0.1 . 1 . . . . . . . . 5228 1 119 . 1 1 16 16 VAL H H 1 7.99 0.01 . 1 . . . . . . . . 5228 1 120 . 1 1 16 16 VAL HA H 1 4.16 0.02 . 1 . . . . . . . . 5228 1 121 . 1 1 16 16 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 5228 1 122 . 1 1 16 16 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 5228 1 123 . 1 1 16 16 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 5228 1 124 . 1 1 16 16 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 5228 1 125 . 1 1 16 16 VAL HG21 H 1 0.95 0.02 . 2 . . . . . . . . 5228 1 126 . 1 1 16 16 VAL HG22 H 1 0.95 0.02 . 2 . . . . . . . . 5228 1 127 . 1 1 16 16 VAL HG23 H 1 0.95 0.02 . 2 . . . . . . . . 5228 1 128 . 1 1 16 16 VAL C C 13 176.3 0.1 . 1 . . . . . . . . 5228 1 129 . 1 1 16 16 VAL CA C 13 62.4 0.1 . 1 . . . . . . . . 5228 1 130 . 1 1 16 16 VAL CB C 13 32.9 0.1 . 1 . . . . . . . . 5228 1 131 . 1 1 16 16 VAL CG1 C 13 20.7 0.1 . 2 . . . . . . . . 5228 1 132 . 1 1 16 16 VAL CG2 C 13 21.2 0.1 . 2 . . . . . . . . 5228 1 133 . 1 1 16 16 VAL N N 15 120.3 0.1 . 1 . . . . . . . . 5228 1 134 . 1 1 17 17 GLY H H 1 8.21 0.01 . 1 . . . . . . . . 5228 1 135 . 1 1 17 17 GLY HA2 H 1 4.17 0.02 . 2 . . . . . . . . 5228 1 136 . 1 1 17 17 GLY HA3 H 1 4.03 0.02 . 2 . . . . . . . . 5228 1 137 . 1 1 17 17 GLY CA C 13 44.5 0.1 . 1 . . . . . . . . 5228 1 138 . 1 1 17 17 GLY N N 15 112.6 0.1 . 1 . . . . . . . . 5228 1 139 . 1 1 19 19 PRO C C 13 177.1 0.1 . 1 . . . . . . . . 5228 1 140 . 1 1 19 19 PRO CA C 13 63.1 0.1 . 1 . . . . . . . . 5228 1 141 . 1 1 19 19 PRO CB C 13 32.0 0.1 . 1 . . . . . . . . 5228 1 142 . 1 1 19 19 PRO CG C 13 28.0 0.1 . 1 . . . . . . . . 5228 1 143 . 1 1 19 19 PRO CD C 13 50.6 0.1 . 1 . . . . . . . . 5228 1 144 . 1 1 20 20 SER H H 1 8.43 0.01 . 1 . . . . . . . . 5228 1 145 . 1 1 20 20 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 5228 1 146 . 1 1 20 20 SER HB2 H 1 3.83 0.02 . 1 . . . . . . . . 5228 1 147 . 1 1 20 20 SER HB3 H 1 3.83 0.02 . 1 . . . . . . . . 5228 1 148 . 1 1 20 20 SER C C 13 174.5 0.1 . 1 . . . . . . . . 5228 1 149 . 1 1 20 20 SER CA C 13 58.4 0.1 . 1 . . . . . . . . 5228 1 150 . 1 1 20 20 SER CB C 13 64.1 0.1 . 1 . . . . . . . . 5228 1 151 . 1 1 20 20 SER N N 15 116.4 0.1 . 1 . . . . . . . . 5228 1 152 . 1 1 21 21 ASN H H 1 8.46 0.01 . 1 . . . . . . . . 5228 1 153 . 1 1 21 21 ASN HA H 1 4.74 0.02 . 1 . . . . . . . . 5228 1 154 . 1 1 21 21 ASN C C 13 175.2 0.1 . 1 . . . . . . . . 5228 1 155 . 1 1 21 21 ASN CA C 13 53.3 0.1 . 1 . . . . . . . . 5228 1 156 . 1 1 21 21 ASN CB C 13 38.8 0.1 . 1 . . . . . . . . 5228 1 157 . 1 1 21 21 ASN N N 15 121.0 0.1 . 1 . . . . . . . . 5228 1 158 . 1 1 22 22 LEU H H 1 8.24 0.01 . 1 . . . . . . . . 5228 1 159 . 1 1 22 22 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 5228 1 160 . 1 1 22 22 LEU HB2 H 1 1.62 0.02 . 1 . . . . . . . . 5228 1 161 . 1 1 22 22 LEU HB3 H 1 1.62 0.02 . 1 . . . . . . . . 5228 1 162 . 1 1 22 22 LEU C C 13 177.7 0.1 . 1 . . . . . . . . 5228 1 163 . 1 1 22 22 LEU CA C 13 55.6 0.1 . 1 . . . . . . . . 5228 1 164 . 1 1 22 22 LEU CB C 13 42.4 0.1 . 1 . . . . . . . . 5228 1 165 . 1 1 22 22 LEU CG C 13 27.2 0.1 . 1 . . . . . . . . 5228 1 166 . 1 1 22 22 LEU CD1 C 13 25.3 0.1 . 2 . . . . . . . . 5228 1 167 . 1 1 22 22 LEU N N 15 122.7 0.1 . 1 . . . . . . . . 5228 1 168 . 1 1 23 23 GLU H H 1 8.39 0.01 . 1 . . . . . . . . 5228 1 169 . 1 1 23 23 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 5228 1 170 . 1 1 23 23 GLU HB2 H 1 2.09 0.02 . 2 . . . . . . . . 5228 1 171 . 1 1 23 23 GLU HB3 H 1 2.00 0.02 . 2 . . . . . . . . 5228 1 172 . 1 1 23 23 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 5228 1 173 . 1 1 23 23 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 5228 1 174 . 1 1 23 23 GLU C C 13 177.3 0.1 . 1 . . . . . . . . 5228 1 175 . 1 1 23 23 GLU CA C 13 57.2 0.1 . 1 . . . . . . . . 5228 1 176 . 1 1 23 23 GLU CB C 13 30.1 0.1 . 1 . . . . . . . . 5228 1 177 . 1 1 23 23 GLU CG C 13 36.5 0.1 . 1 . . . . . . . . 5228 1 178 . 1 1 23 23 GLU N N 15 121.7 0.1 . 1 . . . . . . . . 5228 1 179 . 1 1 24 24 GLY H H 1 8.43 0.01 . 1 . . . . . . . . 5228 1 180 . 1 1 24 24 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 5228 1 181 . 1 1 24 24 GLY HA3 H 1 3.74 0.02 . 2 . . . . . . . . 5228 1 182 . 1 1 24 24 GLY C C 13 174.4 0.1 . 1 . . . . . . . . 5228 1 183 . 1 1 24 24 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 5228 1 184 . 1 1 24 24 GLY N N 15 110.3 0.1 . 1 . . . . . . . . 5228 1 185 . 1 1 25 25 GLN H H 1 8.12 0.01 . 1 . . . . . . . . 5228 1 186 . 1 1 25 25 GLN HA H 1 4.39 0.02 . 1 . . . . . . . . 5228 1 187 . 1 1 25 25 GLN HB2 H 1 2.20 0.02 . 2 . . . . . . . . 5228 1 188 . 1 1 25 25 GLN HB3 H 1 2.00 0.02 . 2 . . . . . . . . 5228 1 189 . 1 1 25 25 GLN HG2 H 1 2.39 0.02 . 1 . . . . . . . . 5228 1 190 . 1 1 25 25 GLN HG3 H 1 2.39 0.02 . 1 . . . . . . . . 5228 1 191 . 1 1 25 25 GLN C C 13 176.3 0.1 . 1 . . . . . . . . 5228 1 192 . 1 1 25 25 GLN CA C 13 56.0 0.1 . 1 . . . . . . . . 5228 1 193 . 1 1 25 25 GLN CB C 13 29.5 0.1 . 1 . . . . . . . . 5228 1 194 . 1 1 25 25 GLN CG C 13 33.9 0.1 . 1 . . . . . . . . 5228 1 195 . 1 1 25 25 GLN N N 15 120.2 0.1 . 1 . . . . . . . . 5228 1 196 . 1 1 26 26 SER H H 1 8.41 0.01 . 1 . . . . . . . . 5228 1 197 . 1 1 26 26 SER HA H 1 4.52 0.02 . 1 . . . . . . . . 5228 1 198 . 1 1 26 26 SER HB2 H 1 3.90 0.02 . 1 . . . . . . . . 5228 1 199 . 1 1 26 26 SER HB3 H 1 3.90 0.02 . 1 . . . . . . . . 5228 1 200 . 1 1 26 26 SER C C 13 174.4 0.1 . 1 . . . . . . . . 5228 1 201 . 1 1 26 26 SER CA C 13 58.6 0.1 . 1 . . . . . . . . 5228 1 202 . 1 1 26 26 SER CB C 13 64.1 0.1 . 1 . . . . . . . . 5228 1 203 . 1 1 26 26 SER N N 15 117.3 0.1 . 1 . . . . . . . . 5228 1 204 . 1 1 27 27 ASP H H 1 8.36 0.01 . 1 . . . . . . . . 5228 1 205 . 1 1 27 27 ASP HA H 1 4.62 0.02 . 1 . . . . . . . . 5228 1 206 . 1 1 27 27 ASP HB2 H 1 2.78 0.02 . 1 . . . . . . . . 5228 1 207 . 1 1 27 27 ASP HB3 H 1 2.78 0.02 . 1 . . . . . . . . 5228 1 208 . 1 1 27 27 ASP C C 13 176.6 0.1 . 1 . . . . . . . . 5228 1 209 . 1 1 27 27 ASP CA C 13 54.7 0.1 . 1 . . . . . . . . 5228 1 210 . 1 1 27 27 ASP CB C 13 41.3 0.1 . 1 . . . . . . . . 5228 1 211 . 1 1 27 27 ASP N N 15 123.2 0.1 . 1 . . . . . . . . 5228 1 212 . 1 1 28 28 GLU H H 1 8.64 0.01 . 1 . . . . . . . . 5228 1 213 . 1 1 28 28 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 5228 1 214 . 1 1 28 28 GLU HB2 H 1 2.11 0.02 . 2 . . . . . . . . 5228 1 215 . 1 1 28 28 GLU HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5228 1 216 . 1 1 28 28 GLU HG2 H 1 2.28 0.02 . 2 . . . . . . . . 5228 1 217 . 1 1 28 28 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 5228 1 218 . 1 1 28 28 GLU C C 13 177.6 0.1 . 1 . . . . . . . . 5228 1 219 . 1 1 28 28 GLU CA C 13 59.7 0.1 . 1 . . . . . . . . 5228 1 220 . 1 1 28 28 GLU CB C 13 30.0 0.1 . 1 . . . . . . . . 5228 1 221 . 1 1 28 28 GLU CG C 13 36.8 0.1 . 1 . . . . . . . . 5228 1 222 . 1 1 28 28 GLU N N 15 122.6 0.1 . 1 . . . . . . . . 5228 1 223 . 1 1 29 29 ARG H H 1 8.15 0.01 . 1 . . . . . . . . 5228 1 224 . 1 1 29 29 ARG HA H 1 3.99 0.02 . 1 . . . . . . . . 5228 1 225 . 1 1 29 29 ARG HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5228 1 226 . 1 1 29 29 ARG HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5228 1 227 . 1 1 29 29 ARG HG2 H 1 1.73 0.02 . 1 . . . . . . . . 5228 1 228 . 1 1 29 29 ARG HG3 H 1 1.73 0.02 . 1 . . . . . . . . 5228 1 229 . 1 1 29 29 ARG HD2 H 1 3.28 0.02 . 1 . . . . . . . . 5228 1 230 . 1 1 29 29 ARG HD3 H 1 3.28 0.02 . 1 . . . . . . . . 5228 1 231 . 1 1 29 29 ARG HE H 1 7.45 0.01 . 1 . . . . . . . . 5228 1 232 . 1 1 29 29 ARG C C 13 178.4 0.1 . 1 . . . . . . . . 5228 1 233 . 1 1 29 29 ARG CA C 13 59.1 0.1 . 1 . . . . . . . . 5228 1 234 . 1 1 29 29 ARG CB C 13 29.9 0.1 . 1 . . . . . . . . 5228 1 235 . 1 1 29 29 ARG CG C 13 27.3 0.1 . 1 . . . . . . . . 5228 1 236 . 1 1 29 29 ARG CD C 13 43.3 0.1 . 1 . . . . . . . . 5228 1 237 . 1 1 29 29 ARG N N 15 119.6 0.1 . 1 . . . . . . . . 5228 1 238 . 1 1 30 30 ALA H H 1 8.01 0.01 . 1 . . . . . . . . 5228 1 239 . 1 1 30 30 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 5228 1 240 . 1 1 30 30 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 5228 1 241 . 1 1 30 30 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 5228 1 242 . 1 1 30 30 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 5228 1 243 . 1 1 30 30 ALA C C 13 181.0 0.1 . 1 . . . . . . . . 5228 1 244 . 1 1 30 30 ALA CA C 13 54.9 0.1 . 1 . . . . . . . . 5228 1 245 . 1 1 30 30 ALA CB C 13 18.4 0.1 . 1 . . . . . . . . 5228 1 246 . 1 1 30 30 ALA N N 15 122.3 0.1 . 1 . . . . . . . . 5228 1 247 . 1 1 31 31 LEU H H 1 8.02 0.01 . 1 . . . . . . . . 5228 1 248 . 1 1 31 31 LEU HA H 1 4.05 0.02 . 1 . . . . . . . . 5228 1 249 . 1 1 31 31 LEU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5228 1 250 . 1 1 31 31 LEU HB3 H 1 1.35 0.02 . 2 . . . . . . . . 5228 1 251 . 1 1 31 31 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 5228 1 252 . 1 1 31 31 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 5228 1 253 . 1 1 31 31 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 5228 1 254 . 1 1 31 31 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 5228 1 255 . 1 1 31 31 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 5228 1 256 . 1 1 31 31 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 5228 1 257 . 1 1 31 31 LEU C C 13 179.2 0.1 . 1 . . . . . . . . 5228 1 258 . 1 1 31 31 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 5228 1 259 . 1 1 31 31 LEU CB C 13 42.4 0.1 . 1 . . . . . . . . 5228 1 260 . 1 1 31 31 LEU CG C 13 26.5 0.1 . 1 . . . . . . . . 5228 1 261 . 1 1 31 31 LEU N N 15 119.7 0.1 . 1 . . . . . . . . 5228 1 262 . 1 1 32 32 LEU H H 1 8.42 0.01 . 1 . . . . . . . . 5228 1 263 . 1 1 32 32 LEU HA H 1 4.04 0.02 . 1 . . . . . . . . 5228 1 264 . 1 1 32 32 LEU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5228 1 265 . 1 1 32 32 LEU HB3 H 1 1.73 0.02 . 2 . . . . . . . . 5228 1 266 . 1 1 32 32 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . 5228 1 267 . 1 1 32 32 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 5228 1 268 . 1 1 32 32 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 5228 1 269 . 1 1 32 32 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 5228 1 270 . 1 1 32 32 LEU C C 13 179.9 0.1 . 1 . . . . . . . . 5228 1 271 . 1 1 32 32 LEU CA C 13 58.0 0.1 . 1 . . . . . . . . 5228 1 272 . 1 1 32 32 LEU CB C 13 41.4 0.1 . 1 . . . . . . . . 5228 1 273 . 1 1 32 32 LEU N N 15 121.0 0.1 . 1 . . . . . . . . 5228 1 274 . 1 1 33 33 ASP H H 1 8.27 0.01 . 1 . . . . . . . . 5228 1 275 . 1 1 33 33 ASP HA H 1 4.53 0.02 . 1 . . . . . . . . 5228 1 276 . 1 1 33 33 ASP HB2 H 1 2.88 0.02 . 2 . . . . . . . . 5228 1 277 . 1 1 33 33 ASP HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5228 1 278 . 1 1 33 33 ASP C C 13 179.3 0.1 . 1 . . . . . . . . 5228 1 279 . 1 1 33 33 ASP CA C 13 57.8 0.1 . 1 . . . . . . . . 5228 1 280 . 1 1 33 33 ASP CB C 13 40.4 0.1 . 1 . . . . . . . . 5228 1 281 . 1 1 33 33 ASP N N 15 121.9 0.1 . 1 . . . . . . . . 5228 1 282 . 1 1 34 34 GLN H H 1 8.00 0.01 . 1 . . . . . . . . 5228 1 283 . 1 1 34 34 GLN HA H 1 4.10 0.02 . 1 . . . . . . . . 5228 1 284 . 1 1 34 34 GLN HB2 H 1 2.36 0.02 . 2 . . . . . . . . 5228 1 285 . 1 1 34 34 GLN HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5228 1 286 . 1 1 34 34 GLN HG2 H 1 2.65 0.02 . 2 . . . . . . . . 5228 1 287 . 1 1 34 34 GLN HG3 H 1 2.36 0.02 . 2 . . . . . . . . 5228 1 288 . 1 1 34 34 GLN HE21 H 1 7.22 0.01 . 2 . . . . . . . . 5228 1 289 . 1 1 34 34 GLN HE22 H 1 6.87 0.01 . 2 . . . . . . . . 5228 1 290 . 1 1 34 34 GLN C C 13 179.2 0.1 . 1 . . . . . . . . 5228 1 291 . 1 1 34 34 GLN CA C 13 59.4 0.1 . 1 . . . . . . . . 5228 1 292 . 1 1 34 34 GLN CB C 13 28.9 0.1 . 1 . . . . . . . . 5228 1 293 . 1 1 34 34 GLN CG C 13 34.8 0.1 . 1 . . . . . . . . 5228 1 294 . 1 1 34 34 GLN N N 15 121.0 0.1 . 1 . . . . . . . . 5228 1 295 . 1 1 34 34 GLN NE2 N 15 110.9 0.1 . 1 . . . . . . . . 5228 1 296 . 1 1 35 35 LEU H H 1 8.44 0.01 . 1 . . . . . . . . 5228 1 297 . 1 1 35 35 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 5228 1 298 . 1 1 35 35 LEU HB2 H 1 2.17 0.02 . 2 . . . . . . . . 5228 1 299 . 1 1 35 35 LEU HB3 H 1 1.52 0.02 . 2 . . . . . . . . 5228 1 300 . 1 1 35 35 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 5228 1 301 . 1 1 35 35 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 5228 1 302 . 1 1 35 35 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 5228 1 303 . 1 1 35 35 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 5228 1 304 . 1 1 35 35 LEU C C 13 177.5 0.1 . 1 . . . . . . . . 5228 1 305 . 1 1 35 35 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 5228 1 306 . 1 1 35 35 LEU CB C 13 41.4 0.1 . 1 . . . . . . . . 5228 1 307 . 1 1 35 35 LEU CG C 13 26.2 0.1 . 1 . . . . . . . . 5228 1 308 . 1 1 35 35 LEU N N 15 121.8 0.1 . 1 . . . . . . . . 5228 1 309 . 1 1 36 36 HIS H H 1 8.50 0.01 . 1 . . . . . . . . 5228 1 310 . 1 1 36 36 HIS HA H 1 4.37 0.02 . 1 . . . . . . . . 5228 1 311 . 1 1 36 36 HIS HB2 H 1 3.52 0.02 . 2 . . . . . . . . 5228 1 312 . 1 1 36 36 HIS HB3 H 1 3.43 0.02 . 2 . . . . . . . . 5228 1 313 . 1 1 36 36 HIS C C 13 178.5 0.1 . 1 . . . . . . . . 5228 1 314 . 1 1 36 36 HIS CA C 13 59.3 0.1 . 1 . . . . . . . . 5228 1 315 . 1 1 36 36 HIS CB C 13 28.9 0.1 . 1 . . . . . . . . 5228 1 316 . 1 1 36 36 HIS N N 15 118.6 0.1 . 1 . . . . . . . . 5228 1 317 . 1 1 37 37 THR H H 1 8.39 0.01 . 1 . . . . . . . . 5228 1 318 . 1 1 37 37 THR HA H 1 3.82 0.02 . 1 . . . . . . . . 5228 1 319 . 1 1 37 37 THR HB H 1 4.24 0.02 . 1 . . . . . . . . 5228 1 320 . 1 1 37 37 THR HG21 H 1 1.25 0.02 . 1 . . . . . . . . 5228 1 321 . 1 1 37 37 THR HG22 H 1 1.25 0.02 . 1 . . . . . . . . 5228 1 322 . 1 1 37 37 THR HG23 H 1 1.25 0.02 . 1 . . . . . . . . 5228 1 323 . 1 1 37 37 THR C C 13 176.3 0.1 . 1 . . . . . . . . 5228 1 324 . 1 1 37 37 THR CA C 13 66.9 0.1 . 1 . . . . . . . . 5228 1 325 . 1 1 37 37 THR CB C 13 68.8 0.1 . 1 . . . . . . . . 5228 1 326 . 1 1 37 37 THR CG2 C 13 22.0 0.1 . 1 . . . . . . . . 5228 1 327 . 1 1 37 37 THR N N 15 118.1 0.1 . 1 . . . . . . . . 5228 1 328 . 1 1 38 38 LEU H H 1 8.04 0.01 . 1 . . . . . . . . 5228 1 329 . 1 1 38 38 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 5228 1 330 . 1 1 38 38 LEU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5228 1 331 . 1 1 38 38 LEU HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5228 1 332 . 1 1 38 38 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 5228 1 333 . 1 1 38 38 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 5228 1 334 . 1 1 38 38 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 5228 1 335 . 1 1 38 38 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 5228 1 336 . 1 1 38 38 LEU HD21 H 1 0.97 0.02 . 2 . . . . . . . . 5228 1 337 . 1 1 38 38 LEU HD22 H 1 0.97 0.02 . 2 . . . . . . . . 5228 1 338 . 1 1 38 38 LEU HD23 H 1 0.97 0.02 . 2 . . . . . . . . 5228 1 339 . 1 1 38 38 LEU C C 13 179.7 0.1 . 1 . . . . . . . . 5228 1 340 . 1 1 38 38 LEU CA C 13 58.6 0.1 . 1 . . . . . . . . 5228 1 341 . 1 1 38 38 LEU CB C 13 42.4 0.1 . 1 . . . . . . . . 5228 1 342 . 1 1 38 38 LEU CD2 C 13 26.5 0.1 . 2 . . . . . . . . 5228 1 343 . 1 1 38 38 LEU N N 15 123.3 0.1 . 1 . . . . . . . . 5228 1 344 . 1 1 39 39 LEU H H 1 8.35 0.01 . 1 . . . . . . . . 5228 1 345 . 1 1 39 39 LEU HA H 1 4.01 0.02 . 1 . . . . . . . . 5228 1 346 . 1 1 39 39 LEU HB2 H 1 1.83 0.02 . 2 . . . . . . . . 5228 1 347 . 1 1 39 39 LEU HB3 H 1 1.16 0.02 . 2 . . . . . . . . 5228 1 348 . 1 1 39 39 LEU HD11 H 1 0.68 0.02 . 2 . . . . . . . . 5228 1 349 . 1 1 39 39 LEU HD12 H 1 0.68 0.02 . 2 . . . . . . . . 5228 1 350 . 1 1 39 39 LEU HD13 H 1 0.68 0.02 . 2 . . . . . . . . 5228 1 351 . 1 1 39 39 LEU HD21 H 1 0.61 0.02 . 2 . . . . . . . . 5228 1 352 . 1 1 39 39 LEU HD22 H 1 0.61 0.02 . 2 . . . . . . . . 5228 1 353 . 1 1 39 39 LEU HD23 H 1 0.61 0.02 . 2 . . . . . . . . 5228 1 354 . 1 1 39 39 LEU C C 13 178.3 0.1 . 1 . . . . . . . . 5228 1 355 . 1 1 39 39 LEU CA C 13 56.9 0.1 . 1 . . . . . . . . 5228 1 356 . 1 1 39 39 LEU CB C 13 41.4 0.1 . 1 . . . . . . . . 5228 1 357 . 1 1 39 39 LEU CG C 13 23.7 0.1 . 1 . . . . . . . . 5228 1 358 . 1 1 39 39 LEU CD1 C 13 23.3 0.1 . 2 . . . . . . . . 5228 1 359 . 1 1 39 39 LEU CD2 C 13 26.1 0.1 . 2 . . . . . . . . 5228 1 360 . 1 1 39 39 LEU N N 15 116.2 0.1 . 1 . . . . . . . . 5228 1 361 . 1 1 40 40 SER H H 1 7.75 0.01 . 1 . . . . . . . . 5228 1 362 . 1 1 40 40 SER HA H 1 4.29 0.02 . 1 . . . . . . . . 5228 1 363 . 1 1 40 40 SER HB2 H 1 3.91 0.02 . 2 . . . . . . . . 5228 1 364 . 1 1 40 40 SER HB3 H 1 3.86 0.02 . 2 . . . . . . . . 5228 1 365 . 1 1 40 40 SER C C 13 174.3 0.1 . 1 . . . . . . . . 5228 1 366 . 1 1 40 40 SER CA C 13 60.2 0.1 . 1 . . . . . . . . 5228 1 367 . 1 1 40 40 SER CB C 13 63.7 0.1 . 1 . . . . . . . . 5228 1 368 . 1 1 40 40 SER N N 15 113.4 0.1 . 1 . . . . . . . . 5228 1 369 . 1 1 41 41 ASN H H 1 7.40 0.01 . 1 . . . . . . . . 5228 1 370 . 1 1 41 41 ASN HA H 1 4.84 0.02 . 1 . . . . . . . . 5228 1 371 . 1 1 41 41 ASN HB2 H 1 2.99 0.02 . 2 . . . . . . . . 5228 1 372 . 1 1 41 41 ASN HB3 H 1 2.82 0.02 . 2 . . . . . . . . 5228 1 373 . 1 1 41 41 ASN HD21 H 1 7.63 0.01 . 2 . . . . . . . . 5228 1 374 . 1 1 41 41 ASN HD22 H 1 6.98 0.01 . 2 . . . . . . . . 5228 1 375 . 1 1 41 41 ASN C C 13 175.5 0.1 . 1 . . . . . . . . 5228 1 376 . 1 1 41 41 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 5228 1 377 . 1 1 41 41 ASN CB C 13 39.6 0.1 . 1 . . . . . . . . 5228 1 378 . 1 1 41 41 ASN N N 15 119.9 0.1 . 1 . . . . . . . . 5228 1 379 . 1 1 41 41 ASN ND2 N 15 112.6 0.1 . 1 . . . . . . . . 5228 1 380 . 1 1 42 42 THR H H 1 8.01 0.01 . 1 . . . . . . . . 5228 1 381 . 1 1 42 42 THR HA H 1 4.29 0.02 . 1 . . . . . . . . 5228 1 382 . 1 1 42 42 THR HB H 1 4.23 0.02 . 1 . . . . . . . . 5228 1 383 . 1 1 42 42 THR HG21 H 1 1.28 0.02 . 1 . . . . . . . . 5228 1 384 . 1 1 42 42 THR HG22 H 1 1.28 0.02 . 1 . . . . . . . . 5228 1 385 . 1 1 42 42 THR HG23 H 1 1.28 0.02 . 1 . . . . . . . . 5228 1 386 . 1 1 42 42 THR C C 13 174.9 0.1 . 1 . . . . . . . . 5228 1 387 . 1 1 42 42 THR CA C 13 63.1 0.1 . 1 . . . . . . . . 5228 1 388 . 1 1 42 42 THR CB C 13 69.5 0.1 . 1 . . . . . . . . 5228 1 389 . 1 1 42 42 THR CG2 C 13 21.7 0.1 . 1 . . . . . . . . 5228 1 390 . 1 1 42 42 THR N N 15 117.5 0.1 . 1 . . . . . . . . 5228 1 391 . 1 1 43 43 ASP H H 1 8.37 0.01 . 1 . . . . . . . . 5228 1 392 . 1 1 43 43 ASP HA H 1 4.64 0.02 . 1 . . . . . . . . 5228 1 393 . 1 1 43 43 ASP HB2 H 1 2.78 0.02 . 2 . . . . . . . . 5228 1 394 . 1 1 43 43 ASP HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5228 1 395 . 1 1 43 43 ASP C C 13 176.3 0.1 . 1 . . . . . . . . 5228 1 396 . 1 1 43 43 ASP CA C 13 54.3 0.1 . 1 . . . . . . . . 5228 1 397 . 1 1 43 43 ASP CB C 13 41.5 0.1 . 1 . . . . . . . . 5228 1 398 . 1 1 43 43 ASP N N 15 123.8 0.1 . 1 . . . . . . . . 5228 1 399 . 1 1 44 44 ALA H H 1 8.11 0.01 . 1 . . . . . . . . 5228 1 400 . 1 1 44 44 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 5228 1 401 . 1 1 44 44 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 5228 1 402 . 1 1 44 44 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 5228 1 403 . 1 1 44 44 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 5228 1 404 . 1 1 44 44 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 5228 1 405 . 1 1 44 44 ALA CA C 13 53.7 0.1 . 1 . . . . . . . . 5228 1 406 . 1 1 44 44 ALA CB C 13 19.0 0.1 . 1 . . . . . . . . 5228 1 407 . 1 1 44 44 ALA N N 15 125.2 0.1 . 1 . . . . . . . . 5228 1 408 . 1 1 45 45 THR H H 1 8.37 0.01 . 1 . . . . . . . . 5228 1 409 . 1 1 45 45 THR HA H 1 4.25 0.02 . 1 . . . . . . . . 5228 1 410 . 1 1 45 45 THR HB H 1 4.27 0.02 . 1 . . . . . . . . 5228 1 411 . 1 1 45 45 THR HG21 H 1 1.30 0.02 . 1 . . . . . . . . 5228 1 412 . 1 1 45 45 THR HG22 H 1 1.30 0.02 . 1 . . . . . . . . 5228 1 413 . 1 1 45 45 THR HG23 H 1 1.30 0.02 . 1 . . . . . . . . 5228 1 414 . 1 1 45 45 THR C C 13 176.5 0.1 . 1 . . . . . . . . 5228 1 415 . 1 1 45 45 THR CA C 13 64.1 0.1 . 1 . . . . . . . . 5228 1 416 . 1 1 45 45 THR CB C 13 69.5 0.1 . 1 . . . . . . . . 5228 1 417 . 1 1 45 45 THR CG2 C 13 22.1 0.1 . 1 . . . . . . . . 5228 1 418 . 1 1 45 45 THR N N 15 115.6 0.1 . 1 . . . . . . . . 5228 1 419 . 1 1 46 46 GLY H H 1 8.67 0.01 . 1 . . . . . . . . 5228 1 420 . 1 1 46 46 GLY HA2 H 1 4.02 0.02 . 2 . . . . . . . . 5228 1 421 . 1 1 46 46 GLY HA3 H 1 3.97 0.02 . 2 . . . . . . . . 5228 1 422 . 1 1 46 46 GLY C C 13 175.8 0.1 . 1 . . . . . . . . 5228 1 423 . 1 1 46 46 GLY CA C 13 46.5 0.1 . 1 . . . . . . . . 5228 1 424 . 1 1 46 46 GLY N N 15 111.1 0.1 . 1 . . . . . . . . 5228 1 425 . 1 1 47 47 LEU H H 1 7.81 0.01 . 1 . . . . . . . . 5228 1 426 . 1 1 47 47 LEU HA H 1 4.44 0.02 . 1 . . . . . . . . 5228 1 427 . 1 1 47 47 LEU HB2 H 1 1.83 0.02 . 2 . . . . . . . . 5228 1 428 . 1 1 47 47 LEU HB3 H 1 1.61 0.02 . 2 . . . . . . . . 5228 1 429 . 1 1 47 47 LEU HG H 1 1.73 0.02 . 1 . . . . . . . . 5228 1 430 . 1 1 47 47 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 5228 1 431 . 1 1 47 47 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 5228 1 432 . 1 1 47 47 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 5228 1 433 . 1 1 47 47 LEU C C 13 178.1 0.1 . 1 . . . . . . . . 5228 1 434 . 1 1 47 47 LEU CA C 13 56.4 0.1 . 1 . . . . . . . . 5228 1 435 . 1 1 47 47 LEU CB C 13 42.2 0.1 . 1 . . . . . . . . 5228 1 436 . 1 1 47 47 LEU CD1 C 13 23.9 0.1 . 2 . . . . . . . . 5228 1 437 . 1 1 47 47 LEU N N 15 120.3 0.1 . 1 . . . . . . . . 5228 1 438 . 1 1 48 48 GLU H H 1 8.31 0.01 . 1 . . . . . . . . 5228 1 439 . 1 1 48 48 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 5228 1 440 . 1 1 48 48 GLU HB2 H 1 2.17 0.02 . 2 . . . . . . . . 5228 1 441 . 1 1 48 48 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5228 1 442 . 1 1 48 48 GLU HG2 H 1 2.39 0.02 . 1 . . . . . . . . 5228 1 443 . 1 1 48 48 GLU HG3 H 1 2.39 0.02 . 1 . . . . . . . . 5228 1 444 . 1 1 48 48 GLU C C 13 179.0 0.1 . 1 . . . . . . . . 5228 1 445 . 1 1 48 48 GLU CA C 13 58.7 0.1 . 1 . . . . . . . . 5228 1 446 . 1 1 48 48 GLU CB C 13 29.3 0.1 . 1 . . . . . . . . 5228 1 447 . 1 1 48 48 GLU CG C 13 37.4 0.1 . 1 . . . . . . . . 5228 1 448 . 1 1 48 48 GLU N N 15 120.3 0.1 . 1 . . . . . . . . 5228 1 449 . 1 1 49 49 GLU H H 1 8.28 0.01 . 1 . . . . . . . . 5228 1 450 . 1 1 49 49 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 5228 1 451 . 1 1 49 49 GLU HB2 H 1 2.16 0.02 . 2 . . . . . . . . 5228 1 452 . 1 1 49 49 GLU HB3 H 1 2.03 0.02 . 2 . . . . . . . . 5228 1 453 . 1 1 49 49 GLU HG2 H 1 2.45 0.02 . 1 . . . . . . . . 5228 1 454 . 1 1 49 49 GLU HG3 H 1 2.45 0.02 . 1 . . . . . . . . 5228 1 455 . 1 1 49 49 GLU C C 13 180.0 0.1 . 1 . . . . . . . . 5228 1 456 . 1 1 49 49 GLU CA C 13 59.5 0.1 . 1 . . . . . . . . 5228 1 457 . 1 1 49 49 GLU CB C 13 29.0 0.1 . 1 . . . . . . . . 5228 1 458 . 1 1 49 49 GLU CG C 13 37.0 0.1 . 1 . . . . . . . . 5228 1 459 . 1 1 49 49 GLU N N 15 118.6 0.1 . 1 . . . . . . . . 5228 1 460 . 1 1 50 50 ILE H H 1 7.60 0.01 . 1 . . . . . . . . 5228 1 461 . 1 1 50 50 ILE HA H 1 3.67 0.02 . 1 . . . . . . . . 5228 1 462 . 1 1 50 50 ILE HB H 1 2.20 0.02 . 1 . . . . . . . . 5228 1 463 . 1 1 50 50 ILE HG12 H 1 1.73 0.02 . 2 . . . . . . . . 5228 1 464 . 1 1 50 50 ILE HG13 H 1 1.07 0.02 . 2 . . . . . . . . 5228 1 465 . 1 1 50 50 ILE HG21 H 1 0.78 0.02 . 1 . . . . . . . . 5228 1 466 . 1 1 50 50 ILE HG22 H 1 0.78 0.02 . 1 . . . . . . . . 5228 1 467 . 1 1 50 50 ILE HG23 H 1 0.78 0.02 . 1 . . . . . . . . 5228 1 468 . 1 1 50 50 ILE HD11 H 1 0.90 0.02 . 1 . . . . . . . . 5228 1 469 . 1 1 50 50 ILE HD12 H 1 0.90 0.02 . 1 . . . . . . . . 5228 1 470 . 1 1 50 50 ILE HD13 H 1 0.90 0.02 . 1 . . . . . . . . 5228 1 471 . 1 1 50 50 ILE C C 13 177.1 0.1 . 1 . . . . . . . . 5228 1 472 . 1 1 50 50 ILE CA C 13 64.9 0.1 . 1 . . . . . . . . 5228 1 473 . 1 1 50 50 ILE CB C 13 37.2 0.1 . 1 . . . . . . . . 5228 1 474 . 1 1 50 50 ILE CG1 C 13 29.5 0.1 . 1 . . . . . . . . 5228 1 475 . 1 1 50 50 ILE CG2 C 13 18.5 0.1 . 1 . . . . . . . . 5228 1 476 . 1 1 50 50 ILE CD1 C 13 13.3 0.1 . 1 . . . . . . . . 5228 1 477 . 1 1 50 50 ILE N N 15 122.9 0.1 . 1 . . . . . . . . 5228 1 478 . 1 1 51 51 ASP H H 1 8.76 0.01 . 1 . . . . . . . . 5228 1 479 . 1 1 51 51 ASP HA H 1 4.31 0.02 . 1 . . . . . . . . 5228 1 480 . 1 1 51 51 ASP HB2 H 1 3.19 0.02 . 2 . . . . . . . . 5228 1 481 . 1 1 51 51 ASP HB3 H 1 2.34 0.02 . 2 . . . . . . . . 5228 1 482 . 1 1 51 51 ASP C C 13 179.6 0.1 . 1 . . . . . . . . 5228 1 483 . 1 1 51 51 ASP CA C 13 57.6 0.1 . 1 . . . . . . . . 5228 1 484 . 1 1 51 51 ASP CB C 13 40.2 0.1 . 1 . . . . . . . . 5228 1 485 . 1 1 51 51 ASP N N 15 120.9 0.1 . 1 . . . . . . . . 5228 1 486 . 1 1 52 52 ARG H H 1 8.05 0.01 . 1 . . . . . . . . 5228 1 487 . 1 1 52 52 ARG HA H 1 3.95 0.02 . 1 . . . . . . . . 5228 1 488 . 1 1 52 52 ARG HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5228 1 489 . 1 1 52 52 ARG HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5228 1 490 . 1 1 52 52 ARG HG2 H 1 1.91 0.02 . 2 . . . . . . . . 5228 1 491 . 1 1 52 52 ARG HG3 H 1 1.62 0.02 . 2 . . . . . . . . 5228 1 492 . 1 1 52 52 ARG HD2 H 1 3.30 0.02 . 2 . . . . . . . . 5228 1 493 . 1 1 52 52 ARG HD3 H 1 3.23 0.02 . 2 . . . . . . . . 5228 1 494 . 1 1 52 52 ARG HE H 1 6.99 0.01 . 1 . . . . . . . . 5228 1 495 . 1 1 52 52 ARG C C 13 179.9 0.1 . 1 . . . . . . . . 5228 1 496 . 1 1 52 52 ARG CA C 13 59.8 0.1 . 1 . . . . . . . . 5228 1 497 . 1 1 52 52 ARG CB C 13 30.4 0.1 . 1 . . . . . . . . 5228 1 498 . 1 1 52 52 ARG CG C 13 28.4 0.1 . 1 . . . . . . . . 5228 1 499 . 1 1 52 52 ARG CD C 13 43.6 0.1 . 1 . . . . . . . . 5228 1 500 . 1 1 52 52 ARG N N 15 118.5 0.1 . 1 . . . . . . . . 5228 1 501 . 1 1 53 53 ALA H H 1 8.00 0.01 . 1 . . . . . . . . 5228 1 502 . 1 1 53 53 ALA HA H 1 4.17 0.02 . 1 . . . . . . . . 5228 1 503 . 1 1 53 53 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 5228 1 504 . 1 1 53 53 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 5228 1 505 . 1 1 53 53 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 5228 1 506 . 1 1 53 53 ALA C C 13 179.8 0.1 . 1 . . . . . . . . 5228 1 507 . 1 1 53 53 ALA CA C 13 54.9 0.1 . 1 . . . . . . . . 5228 1 508 . 1 1 53 53 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 5228 1 509 . 1 1 53 53 ALA N N 15 124.7 0.1 . 1 . . . . . . . . 5228 1 510 . 1 1 54 54 LEU H H 1 7.90 0.01 . 1 . . . . . . . . 5228 1 511 . 1 1 54 54 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 5228 1 512 . 1 1 54 54 LEU HB2 H 1 1.89 0.02 . 2 . . . . . . . . 5228 1 513 . 1 1 54 54 LEU HB3 H 1 1.61 0.02 . 2 . . . . . . . . 5228 1 514 . 1 1 54 54 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 5228 1 515 . 1 1 54 54 LEU HD11 H 1 0.76 0.02 . 2 . . . . . . . . 5228 1 516 . 1 1 54 54 LEU HD12 H 1 0.76 0.02 . 2 . . . . . . . . 5228 1 517 . 1 1 54 54 LEU HD13 H 1 0.76 0.02 . 2 . . . . . . . . 5228 1 518 . 1 1 54 54 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 5228 1 519 . 1 1 54 54 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 5228 1 520 . 1 1 54 54 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 5228 1 521 . 1 1 54 54 LEU C C 13 176.8 0.1 . 1 . . . . . . . . 5228 1 522 . 1 1 54 54 LEU CA C 13 54.8 0.1 . 1 . . . . . . . . 5228 1 523 . 1 1 54 54 LEU CB C 13 43.4 0.1 . 1 . . . . . . . . 5228 1 524 . 1 1 54 54 LEU CD1 C 13 27.3 0.1 . 2 . . . . . . . . 5228 1 525 . 1 1 54 54 LEU CD2 C 13 23.0 0.1 . 2 . . . . . . . . 5228 1 526 . 1 1 54 54 LEU N N 15 116.0 0.1 . 1 . . . . . . . . 5228 1 527 . 1 1 55 55 GLY H H 1 7.83 0.01 . 1 . . . . . . . . 5228 1 528 . 1 1 55 55 GLY HA2 H 1 4.02 0.02 . 2 . . . . . . . . 5228 1 529 . 1 1 55 55 GLY HA3 H 1 3.97 0.02 . 2 . . . . . . . . 5228 1 530 . 1 1 55 55 GLY C C 13 175.3 0.1 . 1 . . . . . . . . 5228 1 531 . 1 1 55 55 GLY CA C 13 45.6 0.1 . 1 . . . . . . . . 5228 1 532 . 1 1 55 55 GLY N N 15 107.9 0.1 . 1 . . . . . . . . 5228 1 533 . 1 1 56 56 ILE H H 1 8.08 0.01 . 1 . . . . . . . . 5228 1 534 . 1 1 56 56 ILE HA H 1 3.74 0.02 . 1 . . . . . . . . 5228 1 535 . 1 1 56 56 ILE HB H 1 1.70 0.02 . 1 . . . . . . . . 5228 1 536 . 1 1 56 56 ILE HG12 H 1 1.32 0.02 . 2 . . . . . . . . 5228 1 537 . 1 1 56 56 ILE HG13 H 1 1.04 0.02 . 2 . . . . . . . . 5228 1 538 . 1 1 56 56 ILE HG21 H 1 0.62 0.02 . 1 . . . . . . . . 5228 1 539 . 1 1 56 56 ILE HG22 H 1 0.62 0.02 . 1 . . . . . . . . 5228 1 540 . 1 1 56 56 ILE HG23 H 1 0.62 0.02 . 1 . . . . . . . . 5228 1 541 . 1 1 56 56 ILE HD11 H 1 1.02 0.02 . 1 . . . . . . . . 5228 1 542 . 1 1 56 56 ILE HD12 H 1 1.02 0.02 . 1 . . . . . . . . 5228 1 543 . 1 1 56 56 ILE HD13 H 1 1.02 0.02 . 1 . . . . . . . . 5228 1 544 . 1 1 56 56 ILE CA C 13 65.1 0.1 . 1 . . . . . . . . 5228 1 545 . 1 1 56 56 ILE CB C 13 35.5 0.1 . 1 . . . . . . . . 5228 1 546 . 1 1 56 56 ILE CG1 C 13 29.2 0.1 . 1 . . . . . . . . 5228 1 547 . 1 1 56 56 ILE CG2 C 13 17.7 0.1 . 1 . . . . . . . . 5228 1 548 . 1 1 56 56 ILE CD1 C 13 13.6 0.1 . 1 . . . . . . . . 5228 1 549 . 1 1 56 56 ILE N N 15 119.0 0.1 . 1 . . . . . . . . 5228 1 550 . 1 1 57 57 PRO HA H 1 3.72 0.02 . 1 . . . . . . . . 5228 1 551 . 1 1 57 57 PRO HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5228 1 552 . 1 1 57 57 PRO HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5228 1 553 . 1 1 57 57 PRO HG2 H 1 2.04 0.02 . 2 . . . . . . . . 5228 1 554 . 1 1 57 57 PRO HD2 H 1 3.54 0.02 . 2 . . . . . . . . 5228 1 555 . 1 1 57 57 PRO HD3 H 1 3.17 0.02 . 2 . . . . . . . . 5228 1 556 . 1 1 57 57 PRO C C 13 178.1 0.1 . 1 . . . . . . . . 5228 1 557 . 1 1 57 57 PRO CA C 13 65.8 0.1 . 1 . . . . . . . . 5228 1 558 . 1 1 57 57 PRO CB C 13 30.9 0.1 . 1 . . . . . . . . 5228 1 559 . 1 1 57 57 PRO CG C 13 27.3 0.1 . 1 . . . . . . . . 5228 1 560 . 1 1 57 57 PRO CD C 13 50.03 0.1 . 1 . . . . . . . . 5228 1 561 . 1 1 58 58 GLU H H 1 7.73 0.01 . 1 . . . . . . . . 5228 1 562 . 1 1 58 58 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 5228 1 563 . 1 1 58 58 GLU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5228 1 564 . 1 1 58 58 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5228 1 565 . 1 1 58 58 GLU HG2 H 1 2.38 0.02 . 2 . . . . . . . . 5228 1 566 . 1 1 58 58 GLU HG3 H 1 2.14 0.02 . 2 . . . . . . . . 5228 1 567 . 1 1 58 58 GLU C C 13 178.2 0.1 . 1 . . . . . . . . 5228 1 568 . 1 1 58 58 GLU CA C 13 58.7 0.1 . 1 . . . . . . . . 5228 1 569 . 1 1 58 58 GLU CB C 13 29.4 0.1 . 1 . . . . . . . . 5228 1 570 . 1 1 58 58 GLU CG C 13 36.9 0.1 . 1 . . . . . . . . 5228 1 571 . 1 1 58 58 GLU N N 15 115.9 0.1 . 1 . . . . . . . . 5228 1 572 . 1 1 59 59 LEU H H 1 7.97 0.01 . 1 . . . . . . . . 5228 1 573 . 1 1 59 59 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 5228 1 574 . 1 1 59 59 LEU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5228 1 575 . 1 1 59 59 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 5228 1 576 . 1 1 59 59 LEU HG H 1 1.57 0.02 . 1 . . . . . . . . 5228 1 577 . 1 1 59 59 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 5228 1 578 . 1 1 59 59 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 5228 1 579 . 1 1 59 59 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 5228 1 580 . 1 1 59 59 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 5228 1 581 . 1 1 59 59 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 5228 1 582 . 1 1 59 59 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 5228 1 583 . 1 1 59 59 LEU C C 13 179.2 0.1 . 1 . . . . . . . . 5228 1 584 . 1 1 59 59 LEU CA C 13 57.2 0.1 . 1 . . . . . . . . 5228 1 585 . 1 1 59 59 LEU CB C 13 42.3 0.1 . 1 . . . . . . . . 5228 1 586 . 1 1 59 59 LEU N N 15 121.5 0.1 . 1 . . . . . . . . 5228 1 587 . 1 1 60 60 VAL H H 1 7.70 0.01 . 1 . . . . . . . . 5228 1 588 . 1 1 60 60 VAL HA H 1 3.91 0.02 . 1 . . . . . . . . 5228 1 589 . 1 1 60 60 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 5228 1 590 . 1 1 60 60 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 5228 1 591 . 1 1 60 60 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 5228 1 592 . 1 1 60 60 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 5228 1 593 . 1 1 60 60 VAL C C 13 176.9 0.1 . 1 . . . . . . . . 5228 1 594 . 1 1 60 60 VAL CA C 13 63.9 0.1 . 1 . . . . . . . . 5228 1 595 . 1 1 60 60 VAL CB C 13 32.0 0.1 . 1 . . . . . . . . 5228 1 596 . 1 1 60 60 VAL CG1 C 13 21.6 0.1 . 1 . . . . . . . . 5228 1 597 . 1 1 60 60 VAL CG2 C 13 21.6 0.1 . 1 . . . . . . . . 5228 1 598 . 1 1 60 60 VAL N N 15 116.7 0.1 . 1 . . . . . . . . 5228 1 599 . 1 1 61 61 ASN H H 1 8.03 0.01 . 1 . . . . . . . . 5228 1 600 . 1 1 61 61 ASN HA H 1 4.69 0.02 . 1 . . . . . . . . 5228 1 601 . 1 1 61 61 ASN HB2 H 1 2.88 0.02 . 2 . . . . . . . . 5228 1 602 . 1 1 61 61 ASN HB3 H 1 2.66 0.02 . 2 . . . . . . . . 5228 1 603 . 1 1 61 61 ASN C C 13 175.9 0.1 . 1 . . . . . . . . 5228 1 604 . 1 1 61 61 ASN CA C 13 53.3 0.1 . 1 . . . . . . . . 5228 1 605 . 1 1 61 61 ASN CB C 13 38.9 0.1 . 1 . . . . . . . . 5228 1 606 . 1 1 61 61 ASN N N 15 119.7 0.1 . 1 . . . . . . . . 5228 1 607 . 1 1 62 62 GLN H H 1 8.16 0.01 . 1 . . . . . . . . 5228 1 608 . 1 1 62 62 GLN HA H 1 4.31 0.02 . 1 . . . . . . . . 5228 1 609 . 1 1 62 62 GLN HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5228 1 610 . 1 1 62 62 GLN HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5228 1 611 . 1 1 62 62 GLN HG2 H 1 2.43 0.02 . 2 . . . . . . . . 5228 1 612 . 1 1 62 62 GLN HG3 H 1 2.23 0.02 . 2 . . . . . . . . 5228 1 613 . 1 1 62 62 GLN C C 13 176.9 0.1 . 1 . . . . . . . . 5228 1 614 . 1 1 62 62 GLN CA C 13 56.6 0.1 . 1 . . . . . . . . 5228 1 615 . 1 1 62 62 GLN CB C 13 29.2 0.1 . 1 . . . . . . . . 5228 1 616 . 1 1 62 62 GLN CG C 13 34.0 0.1 . 1 . . . . . . . . 5228 1 617 . 1 1 62 62 GLN N N 15 119.6 0.1 . 1 . . . . . . . . 5228 1 618 . 1 1 63 63 GLY H H 1 8.26 0.01 . 1 . . . . . . . . 5228 1 619 . 1 1 63 63 GLY HA2 H 1 3.97 0.02 . 1 . . . . . . . . 5228 1 620 . 1 1 63 63 GLY HA3 H 1 3.97 0.02 . 1 . . . . . . . . 5228 1 621 . 1 1 63 63 GLY C C 13 174.5 0.1 . 1 . . . . . . . . 5228 1 622 . 1 1 63 63 GLY CA C 13 45.8 0.1 . 1 . . . . . . . . 5228 1 623 . 1 1 63 63 GLY N N 15 109.2 0.1 . 1 . . . . . . . . 5228 1 624 . 1 1 64 64 GLN H H 1 8.21 0.01 . 1 . . . . . . . . 5228 1 625 . 1 1 64 64 GLN HA H 1 4.44 0.02 . 1 . . . . . . . . 5228 1 626 . 1 1 64 64 GLN HB2 H 1 2.22 0.02 . 2 . . . . . . . . 5228 1 627 . 1 1 64 64 GLN HB3 H 1 2.03 0.02 . 2 . . . . . . . . 5228 1 628 . 1 1 64 64 GLN HG2 H 1 2.39 0.02 . 1 . . . . . . . . 5228 1 629 . 1 1 64 64 GLN HG3 H 1 2.39 0.02 . 1 . . . . . . . . 5228 1 630 . 1 1 64 64 GLN C C 13 175.7 0.1 . 1 . . . . . . . . 5228 1 631 . 1 1 64 64 GLN CA C 13 55.9 0.1 . 1 . . . . . . . . 5228 1 632 . 1 1 64 64 GLN CB C 13 29.8 0.1 . 1 . . . . . . . . 5228 1 633 . 1 1 64 64 GLN N N 15 120.2 0.1 . 1 . . . . . . . . 5228 1 634 . 1 1 65 65 ALA H H 1 8.30 0.01 . 1 . . . . . . . . 5228 1 635 . 1 1 65 65 ALA HA H 1 4.33 0.02 . 1 . . . . . . . . 5228 1 636 . 1 1 65 65 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 5228 1 637 . 1 1 65 65 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 5228 1 638 . 1 1 65 65 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 5228 1 639 . 1 1 65 65 ALA C C 13 177.4 0.1 . 1 . . . . . . . . 5228 1 640 . 1 1 65 65 ALA CA C 13 52.5 0.1 . 1 . . . . . . . . 5228 1 641 . 1 1 65 65 ALA CB C 13 19.1 0.1 . 1 . . . . . . . . 5228 1 642 . 1 1 65 65 ALA N N 15 125.4 0.1 . 1 . . . . . . . . 5228 1 643 . 1 1 66 66 LEU H H 1 8.16 0.01 . 1 . . . . . . . . 5228 1 644 . 1 1 66 66 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 5228 1 645 . 1 1 66 66 LEU HB2 H 1 1.62 0.02 . 1 . . . . . . . . 5228 1 646 . 1 1 66 66 LEU HB3 H 1 1.62 0.02 . 1 . . . . . . . . 5228 1 647 . 1 1 66 66 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 5228 1 648 . 1 1 66 66 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 5228 1 649 . 1 1 66 66 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 5228 1 650 . 1 1 66 66 LEU HD21 H 1 0.90 0.02 . 2 . . . . . . . . 5228 1 651 . 1 1 66 66 LEU HD22 H 1 0.90 0.02 . 2 . . . . . . . . 5228 1 652 . 1 1 66 66 LEU HD23 H 1 0.90 0.02 . 2 . . . . . . . . 5228 1 653 . 1 1 66 66 LEU C C 13 177.0 0.1 . 1 . . . . . . . . 5228 1 654 . 1 1 66 66 LEU CA C 13 54.9 0.1 . 1 . . . . . . . . 5228 1 655 . 1 1 66 66 LEU CB C 13 42.6 0.1 . 1 . . . . . . . . 5228 1 656 . 1 1 66 66 LEU N N 15 121.8 0.1 . 1 . . . . . . . . 5228 1 657 . 1 1 67 67 GLU H H 1 8.25 0.01 . 1 . . . . . . . . 5228 1 658 . 1 1 67 67 GLU HA H 1 4.59 0.02 . 1 . . . . . . . . 5228 1 659 . 1 1 67 67 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5228 1 660 . 1 1 67 67 GLU HB3 H 1 1.92 0.02 . 2 . . . . . . . . 5228 1 661 . 1 1 67 67 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 5228 1 662 . 1 1 67 67 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 5228 1 663 . 1 1 67 67 GLU CA C 13 54.3 0.1 . 1 . . . . . . . . 5228 1 664 . 1 1 67 67 GLU CB C 13 30.1 0.1 . 1 . . . . . . . . 5228 1 665 . 1 1 67 67 GLU CG C 13 36.3 0.1 . 1 . . . . . . . . 5228 1 666 . 1 1 67 67 GLU N N 15 123.3 0.1 . 1 . . . . . . . . 5228 1 667 . 1 1 68 68 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 5228 1 668 . 1 1 68 68 PRO HB2 H 1 2.28 0.02 . 2 . . . . . . . . 5228 1 669 . 1 1 68 68 PRO HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5228 1 670 . 1 1 68 68 PRO C C 13 176.7 0.1 . 1 . . . . . . . . 5228 1 671 . 1 1 68 68 PRO CA C 13 63.0 0.1 . 1 . . . . . . . . 5228 1 672 . 1 1 68 68 PRO CB C 13 32.1 0.1 . 1 . . . . . . . . 5228 1 673 . 1 1 68 68 PRO CG C 13 27.7 0.1 . 1 . . . . . . . . 5228 1 674 . 1 1 69 69 LYS H H 1 8.41 0.01 . 1 . . . . . . . . 5228 1 675 . 1 1 69 69 LYS HA H 1 4.35 0.02 . 1 . . . . . . . . 5228 1 676 . 1 1 69 69 LYS HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5228 1 677 . 1 1 69 69 LYS HB3 H 1 1.78 0.02 . 2 . . . . . . . . 5228 1 678 . 1 1 69 69 LYS HG2 H 1 1.47 0.02 . 1 . . . . . . . . 5228 1 679 . 1 1 69 69 LYS HG3 H 1 1.47 0.02 . 1 . . . . . . . . 5228 1 680 . 1 1 69 69 LYS HE2 H 1 3.13 0.02 . 1 . . . . . . . . 5228 1 681 . 1 1 69 69 LYS HE3 H 1 3.13 0.02 . 1 . . . . . . . . 5228 1 682 . 1 1 69 69 LYS C C 13 176.5 0.1 . 1 . . . . . . . . 5228 1 683 . 1 1 69 69 LYS CA C 13 56.2 0.1 . 1 . . . . . . . . 5228 1 684 . 1 1 69 69 LYS CB C 13 33.4 0.1 . 1 . . . . . . . . 5228 1 685 . 1 1 69 69 LYS CG C 13 24.8 0.1 . 1 . . . . . . . . 5228 1 686 . 1 1 69 69 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5228 1 687 . 1 1 69 69 LYS CE C 13 40.2 0.1 . 1 . . . . . . . . 5228 1 688 . 1 1 69 69 LYS N N 15 122.9 0.1 . 1 . . . . . . . . 5228 1 689 . 1 1 70 70 GLN H H 1 8.55 0.01 . 1 . . . . . . . . 5228 1 690 . 1 1 70 70 GLN HA H 1 4.41 0.02 . 1 . . . . . . . . 5228 1 691 . 1 1 70 70 GLN HB2 H 1 2.16 0.02 . 2 . . . . . . . . 5228 1 692 . 1 1 70 70 GLN HB3 H 1 1.97 0.02 . 2 . . . . . . . . 5228 1 693 . 1 1 70 70 GLN HG2 H 1 2.36 0.02 . 1 . . . . . . . . 5228 1 694 . 1 1 70 70 GLN HG3 H 1 2.36 0.02 . 1 . . . . . . . . 5228 1 695 . 1 1 70 70 GLN C C 13 174.7 0.1 . 1 . . . . . . . . 5228 1 696 . 1 1 70 70 GLN CA C 13 56.0 0.1 . 1 . . . . . . . . 5228 1 697 . 1 1 70 70 GLN CB C 13 30.0 0.1 . 1 . . . . . . . . 5228 1 698 . 1 1 70 70 GLN N N 15 123.7 0.1 . 1 . . . . . . . . 5228 1 699 . 1 1 71 71 ASP H H 1 8.08 0.01 . 1 . . . . . . . . 5228 1 700 . 1 1 71 71 ASP HA H 1 4.44 0.02 . 1 . . . . . . . . 5228 1 701 . 1 1 71 71 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 5228 1 702 . 1 1 71 71 ASP HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5228 1 703 . 1 1 71 71 ASP CA C 13 55.8 0.1 . 1 . . . . . . . . 5228 1 704 . 1 1 71 71 ASP CB C 13 42.4 0.1 . 1 . . . . . . . . 5228 1 705 . 1 1 71 71 ASP N N 15 128.2 0.1 . 1 . . . . . . . . 5228 1 stop_ save_ save_CBP_cs _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CBP_cs _Assigned_chem_shift_list.Entry_ID 5228 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Native_cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 3 $sample_3 . 5228 2 . . 4 $sample_4 . 5228 2 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 . 2 2 1 1 PRO HA H 1 4.45 0.02 . 1 . . . . . . . . 5228 2 2 . 2 2 1 1 PRO HB2 H 1 2.50 0.02 . 2 . . . . . . . . 5228 2 3 . 2 2 1 1 PRO HB3 H 1 2.08 0.02 . 2 . . . . . . . . 5228 2 4 . 2 2 1 1 PRO HG2 H 1 2.09 0.02 . 2 . . . . . . . . 5228 2 5 . 2 2 1 1 PRO HG3 H 1 2.08 0.02 . 2 . . . . . . . . 5228 2 6 . 2 2 1 1 PRO HD2 H 1 3.45 0.02 . 2 . . . . . . . . 5228 2 7 . 2 2 1 1 PRO CA C 13 62.3 0.1 . 1 . . . . . . . . 5228 2 8 . 2 2 1 1 PRO CB C 13 32.4 0.1 . 1 . . . . . . . . 5228 2 9 . 2 2 1 1 PRO CG C 13 26.4 0.1 . 1 . . . . . . . . 5228 2 10 . 2 2 1 1 PRO CD C 13 49.2 0.1 . 1 . . . . . . . . 5228 2 11 . 2 2 2 2 ASN H H 1 8.26 0.01 . 1 . . . . . . . . 5228 2 12 . 2 2 2 2 ASN HA H 1 4.79 0.02 . 1 . . . . . . . . 5228 2 13 . 2 2 2 2 ASN HB2 H 1 2.89 0.02 . 2 . . . . . . . . 5228 2 14 . 2 2 2 2 ASN HB3 H 1 2.82 0.02 . 2 . . . . . . . . 5228 2 15 . 2 2 2 2 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 5228 2 16 . 2 2 2 2 ASN CB C 13 38.9 0.1 . 1 . . . . . . . . 5228 2 17 . 2 2 3 3 ARG HA H 1 4.03 0.02 . 1 . . . . . . . . 5228 2 18 . 2 2 3 3 ARG CA C 13 59.69 0.1 . 1 . . . . . . . . 5228 2 19 . 2 2 4 4 SER H H 1 7.79 0.01 . 1 . . . . . . . . 5228 2 20 . 2 2 4 4 SER HA H 1 4.55 0.02 . 1 . . . . . . . . 5228 2 21 . 2 2 4 4 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . 5228 2 22 . 2 2 4 4 SER HB3 H 1 3.89 0.02 . 2 . . . . . . . . 5228 2 23 . 2 2 4 4 SER C C 13 174.1 0.1 . 1 . . . . . . . . 5228 2 24 . 2 2 4 4 SER CA C 13 58.2 0.1 . 1 . . . . . . . . 5228 2 25 . 2 2 4 4 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 5228 2 26 . 2 2 4 4 SER N N 15 116.6 0.1 . 1 . . . . . . . . 5228 2 27 . 2 2 5 5 ILE H H 1 8.23 0.01 . 1 . . . . . . . . 5228 2 28 . 2 2 5 5 ILE HA H 1 4.15 0.02 . 1 . . . . . . . . 5228 2 29 . 2 2 5 5 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 5228 2 30 . 2 2 5 5 ILE HG12 H 1 1.59 0.02 . 2 . . . . . . . . 5228 2 31 . 2 2 5 5 ILE HG13 H 1 1.01 0.02 . 2 . . . . . . . . 5228 2 32 . 2 2 5 5 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5228 2 33 . 2 2 5 5 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5228 2 34 . 2 2 5 5 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5228 2 35 . 2 2 5 5 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 5228 2 36 . 2 2 5 5 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 5228 2 37 . 2 2 5 5 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 5228 2 38 . 2 2 5 5 ILE C C 13 175.4 0.1 . 1 . . . . . . . . 5228 2 39 . 2 2 5 5 ILE CA C 13 60.7 0.1 . 1 . . . . . . . . 5228 2 40 . 2 2 5 5 ILE CB C 13 39.4 0.1 . 1 . . . . . . . . 5228 2 41 . 2 2 5 5 ILE CG1 C 13 18.0 0.1 . 1 . . . . . . . . 5228 2 42 . 2 2 5 5 ILE CG2 C 13 18.0 0.1 . 1 . . . . . . . . 5228 2 43 . 2 2 5 5 ILE CD1 C 13 13.6 0.1 . 1 . . . . . . . . 5228 2 44 . 2 2 5 5 ILE N N 15 122.2 0.1 . 1 . . . . . . . . 5228 2 45 . 2 2 6 6 SER H H 1 8.40 0.01 . 1 . . . . . . . . 5228 2 46 . 2 2 6 6 SER HA H 1 4.81 0.02 . 1 . . . . . . . . 5228 2 47 . 2 2 6 6 SER HB2 H 1 4.08 0.02 . 2 . . . . . . . . 5228 2 48 . 2 2 6 6 SER HB3 H 1 3.92 0.02 . 2 . . . . . . . . 5228 2 49 . 2 2 6 6 SER CA C 13 55.6 0.1 . 1 . . . . . . . . 5228 2 50 . 2 2 6 6 SER CB C 13 63.3 0.1 . 1 . . . . . . . . 5228 2 51 . 2 2 6 6 SER N N 15 121.6 0.1 . 1 . . . . . . . . 5228 2 52 . 2 2 7 7 PRO HA H 1 4.32 0.02 . 1 . . . . . . . . 5228 2 53 . 2 2 7 7 PRO HB2 H 1 2.32 0.02 . 2 . . . . . . . . 5228 2 54 . 2 2 7 7 PRO HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5228 2 55 . 2 2 7 7 PRO HD2 H 1 4.10 0.02 . 2 . . . . . . . . 5228 2 56 . 2 2 7 7 PRO HD3 H 1 3.96 0.02 . 2 . . . . . . . . 5228 2 57 . 2 2 7 7 PRO C C 13 178.2 0.1 . 1 . . . . . . . . 5228 2 58 . 2 2 7 7 PRO CA C 13 64.7 0.1 . 1 . . . . . . . . 5228 2 59 . 2 2 7 7 PRO CB C 13 31.7 0.1 . 1 . . . . . . . . 5228 2 60 . 2 2 7 7 PRO CD C 13 51.0 0.1 . 1 . . . . . . . . 5228 2 61 . 2 2 8 8 SER H H 1 8.03 0.01 . 1 . . . . . . . . 5228 2 62 . 2 2 8 8 SER HA H 1 4.30 0.02 . 1 . . . . . . . . 5228 2 63 . 2 2 8 8 SER HB2 H 1 3.96 0.02 . 2 . . . . . . . . 5228 2 64 . 2 2 8 8 SER HB3 H 1 3.89 0.02 . 2 . . . . . . . . 5228 2 65 . 2 2 8 8 SER C C 13 175.8 0.1 . 1 . . . . . . . . 5228 2 66 . 2 2 8 8 SER CA C 13 60.1 0.1 . 1 . . . . . . . . 5228 2 67 . 2 2 8 8 SER CB C 13 62.6 0.1 . 1 . . . . . . . . 5228 2 68 . 2 2 8 8 SER N N 15 113.1 0.1 . 1 . . . . . . . . 5228 2 69 . 2 2 9 9 ALA H H 1 7.78 0.01 . 1 . . . . . . . . 5228 2 70 . 2 2 9 9 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 5228 2 71 . 2 2 9 9 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 5228 2 72 . 2 2 9 9 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 5228 2 73 . 2 2 9 9 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 5228 2 74 . 2 2 9 9 ALA C C 13 179.4 0.1 . 1 . . . . . . . . 5228 2 75 . 2 2 9 9 ALA CA C 13 54.7 0.1 . 1 . . . . . . . . 5228 2 76 . 2 2 9 9 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . 5228 2 77 . 2 2 9 9 ALA N N 15 125.4 0.1 . 1 . . . . . . . . 5228 2 78 . 2 2 10 10 LEU H H 1 7.82 0.01 . 1 . . . . . . . . 5228 2 79 . 2 2 10 10 LEU HA H 1 3.99 0.02 . 1 . . . . . . . . 5228 2 80 . 2 2 10 10 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 5228 2 81 . 2 2 10 10 LEU HB3 H 1 1.70 0.02 . 2 . . . . . . . . 5228 2 82 . 2 2 10 10 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 5228 2 83 . 2 2 10 10 LEU HD11 H 1 0.95 0.02 . 2 . . . . . . . . 5228 2 84 . 2 2 10 10 LEU HD12 H 1 0.95 0.02 . 2 . . . . . . . . 5228 2 85 . 2 2 10 10 LEU HD13 H 1 0.95 0.02 . 2 . . . . . . . . 5228 2 86 . 2 2 10 10 LEU HD21 H 1 0.89 0.02 . 2 . . . . . . . . 5228 2 87 . 2 2 10 10 LEU HD22 H 1 0.89 0.02 . 2 . . . . . . . . 5228 2 88 . 2 2 10 10 LEU HD23 H 1 0.89 0.02 . 2 . . . . . . . . 5228 2 89 . 2 2 10 10 LEU C C 13 178.3 0.1 . 1 . . . . . . . . 5228 2 90 . 2 2 10 10 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 5228 2 91 . 2 2 10 10 LEU CB C 13 42.0 0.1 . 1 . . . . . . . . 5228 2 92 . 2 2 10 10 LEU CG C 13 27.7 0.1 . 1 . . . . . . . . 5228 2 93 . 2 2 10 10 LEU CD1 C 13 24.8 0.1 . 2 . . . . . . . . 5228 2 94 . 2 2 10 10 LEU CD2 C 13 26.0 0.1 . 2 . . . . . . . . 5228 2 95 . 2 2 10 10 LEU N N 15 117.5 0.1 . 1 . . . . . . . . 5228 2 96 . 2 2 11 11 GLN H H 1 8.22 0.01 . 1 . . . . . . . . 5228 2 97 . 2 2 11 11 GLN HA H 1 3.99 0.02 . 1 . . . . . . . . 5228 2 98 . 2 2 11 11 GLN HB2 H 1 2.24 0.02 . 2 . . . . . . . . 5228 2 99 . 2 2 11 11 GLN C C 13 178.8 0.1 . 1 . . . . . . . . 5228 2 100 . 2 2 11 11 GLN CA C 13 59.3 0.1 . 1 . . . . . . . . 5228 2 101 . 2 2 11 11 GLN CB C 13 28.4 0.1 . 1 . . . . . . . . 5228 2 102 . 2 2 11 11 GLN N N 15 117.7 0.1 . 1 . . . . . . . . 5228 2 103 . 2 2 12 12 ASP H H 1 8.22 0.01 . 1 . . . . . . . . 5228 2 104 . 2 2 12 12 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 5228 2 105 . 2 2 12 12 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5228 2 106 . 2 2 12 12 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 5228 2 107 . 2 2 12 12 ASP C C 13 179.4 0.1 . 1 . . . . . . . . 5228 2 108 . 2 2 12 12 ASP CA C 13 57.2 0.1 . 1 . . . . . . . . 5228 2 109 . 2 2 12 12 ASP CB C 13 40.1 0.1 . 1 . . . . . . . . 5228 2 110 . 2 2 12 12 ASP N N 15 120.0 0.1 . 1 . . . . . . . . 5228 2 111 . 2 2 13 13 LEU H H 1 8.55 0.01 . 1 . . . . . . . . 5228 2 112 . 2 2 13 13 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 5228 2 113 . 2 2 13 13 LEU HB2 H 1 2.23 0.02 . 2 . . . . . . . . 5228 2 114 . 2 2 13 13 LEU HB3 H 1 1.71 0.02 . 2 . . . . . . . . 5228 2 115 . 2 2 13 13 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 5228 2 116 . 2 2 13 13 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 5228 2 117 . 2 2 13 13 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 5228 2 118 . 2 2 13 13 LEU HD21 H 1 0.89 0.02 . 2 . . . . . . . . 5228 2 119 . 2 2 13 13 LEU HD22 H 1 0.89 0.02 . 2 . . . . . . . . 5228 2 120 . 2 2 13 13 LEU HD23 H 1 0.89 0.02 . 2 . . . . . . . . 5228 2 121 . 2 2 13 13 LEU C C 13 178.1 0.1 . 1 . . . . . . . . 5228 2 122 . 2 2 13 13 LEU CA C 13 58.3 0.1 . 1 . . . . . . . . 5228 2 123 . 2 2 13 13 LEU CB C 13 41.4 0.1 . 1 . . . . . . . . 5228 2 124 . 2 2 13 13 LEU CG C 13 27.1 0.1 . 1 . . . . . . . . 5228 2 125 . 2 2 13 13 LEU CD1 C 13 24.1 0.1 . 2 . . . . . . . . 5228 2 126 . 2 2 13 13 LEU CD2 C 13 23.0 0.1 . 2 . . . . . . . . 5228 2 127 . 2 2 13 13 LEU N N 15 122.9 0.1 . 1 . . . . . . . . 5228 2 128 . 2 2 14 14 LEU H H 1 8.41 0.01 . 1 . . . . . . . . 5228 2 129 . 2 2 14 14 LEU HA H 1 3.91 0.02 . 1 . . . . . . . . 5228 2 130 . 2 2 14 14 LEU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5228 2 131 . 2 2 14 14 LEU HB3 H 1 1.53 0.02 . 2 . . . . . . . . 5228 2 132 . 2 2 14 14 LEU HD11 H 1 0.94 0.02 . 2 . . . . . . . . 5228 2 133 . 2 2 14 14 LEU HD12 H 1 0.94 0.02 . 2 . . . . . . . . 5228 2 134 . 2 2 14 14 LEU HD13 H 1 0.94 0.02 . 2 . . . . . . . . 5228 2 135 . 2 2 14 14 LEU HD21 H 1 0.90 0.02 . 2 . . . . . . . . 5228 2 136 . 2 2 14 14 LEU HD22 H 1 0.90 0.02 . 2 . . . . . . . . 5228 2 137 . 2 2 14 14 LEU HD23 H 1 0.90 0.02 . 2 . . . . . . . . 5228 2 138 . 2 2 14 14 LEU C C 13 178.4 0.1 . 1 . . . . . . . . 5228 2 139 . 2 2 14 14 LEU CA C 13 58.4 0.1 . 1 . . . . . . . . 5228 2 140 . 2 2 14 14 LEU CB C 13 41.6 0.1 . 1 . . . . . . . . 5228 2 141 . 2 2 14 14 LEU CG C 13 27.3 0.1 . 1 . . . . . . . . 5228 2 142 . 2 2 14 14 LEU CD1 C 13 25.8 0.1 . 2 . . . . . . . . 5228 2 143 . 2 2 14 14 LEU CD2 C 13 24.0 0.1 . 2 . . . . . . . . 5228 2 144 . 2 2 14 14 LEU N N 15 119.1 0.1 . 1 . . . . . . . . 5228 2 145 . 2 2 15 15 ARG H H 1 8.09 0.01 . 1 . . . . . . . . 5228 2 146 . 2 2 15 15 ARG HA H 1 3.97 0.02 . 1 . . . . . . . . 5228 2 147 . 2 2 15 15 ARG HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5228 2 148 . 2 2 15 15 ARG HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5228 2 149 . 2 2 15 15 ARG HD2 H 1 3.26 0.02 . 2 . . . . . . . . 5228 2 150 . 2 2 15 15 ARG C C 13 179.6 0.1 . 1 . . . . . . . . 5228 2 151 . 2 2 15 15 ARG CA C 13 59.3 0.1 . 1 . . . . . . . . 5228 2 152 . 2 2 15 15 ARG N N 15 116.7 0.1 . 1 . . . . . . . . 5228 2 153 . 2 2 16 16 THR H H 1 8.03 0.01 . 1 . . . . . . . . 5228 2 154 . 2 2 16 16 THR HA H 1 3.98 0.02 . 1 . . . . . . . . 5228 2 155 . 2 2 16 16 THR HB H 1 4.19 0.02 . 1 . . . . . . . . 5228 2 156 . 2 2 16 16 THR HG1 H 1 5.08 0.02 . 1 . . . . . . . . 5228 2 157 . 2 2 16 16 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 5228 2 158 . 2 2 16 16 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 5228 2 159 . 2 2 16 16 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 5228 2 160 . 2 2 16 16 THR C C 13 177.4 0.1 . 1 . . . . . . . . 5228 2 161 . 2 2 16 16 THR CA C 13 66.6 0.1 . 1 . . . . . . . . 5228 2 162 . 2 2 16 16 THR CB C 13 68.4 0.1 . 1 . . . . . . . . 5228 2 163 . 2 2 16 16 THR CG2 C 13 23.4 0.1 . 1 . . . . . . . . 5228 2 164 . 2 2 16 16 THR N N 15 115.4 0.1 . 1 . . . . . . . . 5228 2 165 . 2 2 17 17 LEU H H 1 8.50 0.01 . 1 . . . . . . . . 5228 2 166 . 2 2 17 17 LEU HA H 1 4.02 0.02 . 1 . . . . . . . . 5228 2 167 . 2 2 17 17 LEU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5228 2 168 . 2 2 17 17 LEU HB3 H 1 1.52 0.02 . 2 . . . . . . . . 5228 2 169 . 2 2 17 17 LEU HG H 1 1.88 0.02 . 1 . . . . . . . . 5228 2 170 . 2 2 17 17 LEU HD11 H 1 0.95 0.02 . 2 . . . . . . . . 5228 2 171 . 2 2 17 17 LEU HD12 H 1 0.95 0.02 . 2 . . . . . . . . 5228 2 172 . 2 2 17 17 LEU HD13 H 1 0.95 0.02 . 2 . . . . . . . . 5228 2 173 . 2 2 17 17 LEU HD21 H 1 0.91 0.02 . 2 . . . . . . . . 5228 2 174 . 2 2 17 17 LEU HD22 H 1 0.91 0.02 . 2 . . . . . . . . 5228 2 175 . 2 2 17 17 LEU HD23 H 1 0.91 0.02 . 2 . . . . . . . . 5228 2 176 . 2 2 17 17 LEU C C 13 177.5 0.1 . 1 . . . . . . . . 5228 2 177 . 2 2 17 17 LEU CA C 13 57.2 0.1 . 1 . . . . . . . . 5228 2 178 . 2 2 17 17 LEU CB C 13 42.5 0.1 . 1 . . . . . . . . 5228 2 179 . 2 2 17 17 LEU CG C 13 26.9 0.1 . 1 . . . . . . . . 5228 2 180 . 2 2 17 17 LEU CD1 C 13 23.6 0.1 . 2 . . . . . . . . 5228 2 181 . 2 2 17 17 LEU CD2 C 13 26.8 0.1 . 2 . . . . . . . . 5228 2 182 . 2 2 17 17 LEU N N 15 121.9 0.1 . 1 . . . . . . . . 5228 2 183 . 2 2 18 18 LYS H H 1 7.45 0.01 . 1 . . . . . . . . 5228 2 184 . 2 2 18 18 LYS HA H 1 4.32 0.02 . 1 . . . . . . . . 5228 2 185 . 2 2 18 18 LYS HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5228 2 186 . 2 2 18 18 LYS HB3 H 1 1.79 0.02 . 2 . . . . . . . . 5228 2 187 . 2 2 18 18 LYS HG2 H 1 1.70 0.02 . 2 . . . . . . . . 5228 2 188 . 2 2 18 18 LYS HG3 H 1 1.46 0.02 . 2 . . . . . . . . 5228 2 189 . 2 2 18 18 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 5228 2 190 . 2 2 18 18 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 5228 2 191 . 2 2 18 18 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 5228 2 192 . 2 2 18 18 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 5228 2 193 . 2 2 18 18 LYS C C 13 176.7 0.1 . 1 . . . . . . . . 5228 2 194 . 2 2 18 18 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 5228 2 195 . 2 2 18 18 LYS CB C 13 32.6 0.1 . 1 . . . . . . . . 5228 2 196 . 2 2 18 18 LYS CG C 13 25.5 0.1 . 1 . . . . . . . . 5228 2 197 . 2 2 18 18 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5228 2 198 . 2 2 18 18 LYS CE C 13 41.9 0.1 . 1 . . . . . . . . 5228 2 199 . 2 2 18 18 LYS N N 15 116.3 0.1 . 1 . . . . . . . . 5228 2 200 . 2 2 19 19 SER H H 1 7.45 0.01 . 1 . . . . . . . . 5228 2 201 . 2 2 19 19 SER HA H 1 4.77 0.02 . 1 . . . . . . . . 5228 2 202 . 2 2 19 19 SER HB2 H 1 4.11 0.02 . 2 . . . . . . . . 5228 2 203 . 2 2 19 19 SER HB3 H 1 4.03 0.02 . 2 . . . . . . . . 5228 2 204 . 2 2 19 19 SER CA C 13 57.7 0.1 . 1 . . . . . . . . 5228 2 205 . 2 2 19 19 SER CB C 13 62.9 0.1 . 1 . . . . . . . . 5228 2 206 . 2 2 19 19 SER N N 15 117.3 0.1 . 1 . . . . . . . . 5228 2 207 . 2 2 20 20 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 5228 2 208 . 2 2 20 20 PRO HB2 H 1 2.37 0.02 . 2 . . . . . . . . 5228 2 209 . 2 2 20 20 PRO HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5228 2 210 . 2 2 20 20 PRO HG2 H 1 2.21 0.02 . 1 . . . . . . . . 5228 2 211 . 2 2 20 20 PRO HG3 H 1 2.21 0.02 . 1 . . . . . . . . 5228 2 212 . 2 2 20 20 PRO HD2 H 1 3.64 0.02 . 2 . . . . . . . . 5228 2 213 . 2 2 20 20 PRO CA C 13 63.3 0.1 . 1 . . . . . . . . 5228 2 214 . 2 2 20 20 PRO CB C 13 31.7 0.1 . 1 . . . . . . . . 5228 2 215 . 2 2 20 20 PRO CG C 13 27.4 0.1 . 1 . . . . . . . . 5228 2 216 . 2 2 20 20 PRO CD C 13 50.3 0.1 . 1 . . . . . . . . 5228 2 217 . 2 2 21 21 SER HA H 1 4.28 0.02 . 1 . . . . . . . . 5228 2 218 . 2 2 21 21 SER HB2 H 1 3.91 0.02 . 2 . . . . . . . . 5228 2 219 . 2 2 21 21 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 5228 2 220 . 2 2 21 21 SER C C 13 174.9 0.1 . 1 . . . . . . . . 5228 2 221 . 2 2 21 21 SER CA C 13 59.0 0.1 . 1 . . . . . . . . 5228 2 222 . 2 2 21 21 SER CB C 13 63.3 0.1 . 1 . . . . . . . . 5228 2 223 . 2 2 22 22 SER H H 1 7.90 0.01 . 1 . . . . . . . . 5228 2 224 . 2 2 22 22 SER HA H 1 4.92 0.02 . 1 . . . . . . . . 5228 2 225 . 2 2 22 22 SER HB2 H 1 4.26 0.02 . 2 . . . . . . . . 5228 2 226 . 2 2 22 22 SER HB3 H 1 4.13 0.02 . 2 . . . . . . . . 5228 2 227 . 2 2 22 22 SER CA C 13 57.0 0.1 . 1 . . . . . . . . 5228 2 228 . 2 2 22 22 SER CB C 13 63.2 0.1 . 1 . . . . . . . . 5228 2 229 . 2 2 22 22 SER N N 15 119.4 0.1 . 1 . . . . . . . . 5228 2 230 . 2 2 23 23 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 5228 2 231 . 2 2 23 23 PRO HB2 H 1 2.48 0.02 . 2 . . . . . . . . 5228 2 232 . 2 2 23 23 PRO HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5228 2 233 . 2 2 23 23 PRO HG2 H 1 2.22 0.02 . 2 . . . . . . . . 5228 2 234 . 2 2 23 23 PRO HG3 H 1 2.06 0.02 . 2 . . . . . . . . 5228 2 235 . 2 2 23 23 PRO HD2 H 1 3.93 0.02 . 2 . . . . . . . . 5228 2 236 . 2 2 23 23 PRO HD3 H 1 3.65 0.02 . 2 . . . . . . . . 5228 2 237 . 2 2 23 23 PRO C C 13 179.1 0.1 . 1 . . . . . . . . 5228 2 238 . 2 2 23 23 PRO CA C 13 65.6 0.1 . 1 . . . . . . . . 5228 2 239 . 2 2 23 23 PRO CB C 13 31.6 0.1 . 1 . . . . . . . . 5228 2 240 . 2 2 23 23 PRO CG C 13 27.9 0.1 . 1 . . . . . . . . 5228 2 241 . 2 2 23 23 PRO CD C 13 50.4 0.1 . 1 . . . . . . . . 5228 2 242 . 2 2 24 24 GLN H H 1 8.18 0.01 . 1 . . . . . . . . 5228 2 243 . 2 2 24 24 GLN HA H 1 4.10 0.02 . 1 . . . . . . . . 5228 2 244 . 2 2 24 24 GLN N N 15 116.7 0.1 . 1 . . . . . . . . 5228 2 245 . 2 2 27 27 GLN HA H 1 4.05 0.02 . 1 . . . . . . . . 5228 2 246 . 2 2 27 27 GLN CA C 13 59.7 0.1 . 1 . . . . . . . . 5228 2 247 . 2 2 28 28 GLN H H 1 8.00 0.01 . 1 . . . . . . . . 5228 2 248 . 2 2 28 28 GLN HA H 1 4.15 0.02 . 1 . . . . . . . . 5228 2 249 . 2 2 28 28 GLN HB2 H 1 2.33 0.02 . 2 . . . . . . . . 5228 2 250 . 2 2 28 28 GLN HB3 H 1 2.14 0.02 . 2 . . . . . . . . 5228 2 251 . 2 2 28 28 GLN HG2 H 1 2.54 0.02 . 2 . . . . . . . . 5228 2 252 . 2 2 28 28 GLN HG3 H 1 2.20 0.02 . 2 . . . . . . . . 5228 2 253 . 2 2 28 28 GLN HE21 H 1 7.03 0.01 . 2 . . . . . . . . 5228 2 254 . 2 2 28 28 GLN HE22 H 1 6.53 0.01 . 2 . . . . . . . . 5228 2 255 . 2 2 28 28 GLN C C 13 178.8 0.1 . 1 . . . . . . . . 5228 2 256 . 2 2 28 28 GLN CA C 13 59.1 0.1 . 1 . . . . . . . . 5228 2 257 . 2 2 28 28 GLN CB C 13 28.1 0.1 . 1 . . . . . . . . 5228 2 258 . 2 2 28 28 GLN CG C 13 32.1 0.1 . 1 . . . . . . . . 5228 2 259 . 2 2 28 28 GLN N N 15 123.5 0.1 . 1 . . . . . . . . 5228 2 260 . 2 2 28 28 GLN NE2 N 15 108.0 0.1 . 1 . . . . . . . . 5228 2 261 . 2 2 29 29 VAL H H 1 8.05 0.01 . 1 . . . . . . . . 5228 2 262 . 2 2 29 29 VAL HA H 1 3.35 0.02 . 1 . . . . . . . . 5228 2 263 . 2 2 29 29 VAL HB H 1 2.25 0.02 . 1 . . . . . . . . 5228 2 264 . 2 2 29 29 VAL HG11 H 1 1.01 0.02 . 1 . . . . . . . . 5228 2 265 . 2 2 29 29 VAL HG12 H 1 1.01 0.02 . 1 . . . . . . . . 5228 2 266 . 2 2 29 29 VAL HG13 H 1 1.01 0.02 . 1 . . . . . . . . 5228 2 267 . 2 2 29 29 VAL HG21 H 1 0.68 0.02 . 1 . . . . . . . . 5228 2 268 . 2 2 29 29 VAL HG22 H 1 0.68 0.02 . 1 . . . . . . . . 5228 2 269 . 2 2 29 29 VAL HG23 H 1 0.68 0.02 . 1 . . . . . . . . 5228 2 270 . 2 2 29 29 VAL C C 13 177.5 0.1 . 1 . . . . . . . . 5228 2 271 . 2 2 29 29 VAL CA C 13 67.4 0.1 . 1 . . . . . . . . 5228 2 272 . 2 2 29 29 VAL CB C 13 31.3 0.1 . 1 . . . . . . . . 5228 2 273 . 2 2 29 29 VAL CG1 C 13 23.4 0.1 . 1 . . . . . . . . 5228 2 274 . 2 2 29 29 VAL CG2 C 13 21.3 0.1 . 1 . . . . . . . . 5228 2 275 . 2 2 29 29 VAL N N 15 119.1 0.1 . 1 . . . . . . . . 5228 2 276 . 2 2 30 30 LEU H H 1 7.92 0.01 . 1 . . . . . . . . 5228 2 277 . 2 2 30 30 LEU HA H 1 3.75 0.02 . 1 . . . . . . . . 5228 2 278 . 2 2 30 30 LEU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5228 2 279 . 2 2 30 30 LEU HB3 H 1 1.46 0.02 . 2 . . . . . . . . 5228 2 280 . 2 2 30 30 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 5228 2 281 . 2 2 30 30 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 5228 2 282 . 2 2 30 30 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 5228 2 283 . 2 2 30 30 LEU HD21 H 1 0.84 0.02 . 2 . . . . . . . . 5228 2 284 . 2 2 30 30 LEU HD22 H 1 0.84 0.02 . 2 . . . . . . . . 5228 2 285 . 2 2 30 30 LEU HD23 H 1 0.84 0.02 . 2 . . . . . . . . 5228 2 286 . 2 2 30 30 LEU C C 13 178.5 0.1 . 1 . . . . . . . . 5228 2 287 . 2 2 30 30 LEU CA C 13 58.3 0.1 . 1 . . . . . . . . 5228 2 288 . 2 2 30 30 LEU CB C 13 41.3 0.1 . 1 . . . . . . . . 5228 2 289 . 2 2 30 30 LEU CG C 13 27.4 0.1 . 1 . . . . . . . . 5228 2 290 . 2 2 30 30 LEU CD1 C 13 24.2 0.1 . 2 . . . . . . . . 5228 2 291 . 2 2 30 30 LEU CD2 C 13 24.9 0.1 . 2 . . . . . . . . 5228 2 292 . 2 2 30 30 LEU N N 15 118.1 0.1 . 1 . . . . . . . . 5228 2 293 . 2 2 31 31 ASN H H 1 8.37 0.01 . 1 . . . . . . . . 5228 2 294 . 2 2 31 31 ASN HA H 1 4.41 0.02 . 1 . . . . . . . . 5228 2 295 . 2 2 31 31 ASN HB2 H 1 2.95 0.02 . 2 . . . . . . . . 5228 2 296 . 2 2 31 31 ASN HB3 H 1 2.84 0.02 . 2 . . . . . . . . 5228 2 297 . 2 2 31 31 ASN HD21 H 1 7.47 0.01 . 2 . . . . . . . . 5228 2 298 . 2 2 31 31 ASN HD22 H 1 6.88 0.01 . 2 . . . . . . . . 5228 2 299 . 2 2 31 31 ASN C C 13 178.7 0.1 . 1 . . . . . . . . 5228 2 300 . 2 2 31 31 ASN CA C 13 56.0 0.1 . 1 . . . . . . . . 5228 2 301 . 2 2 31 31 ASN CB C 13 38.0 0.1 . 1 . . . . . . . . 5228 2 302 . 2 2 31 31 ASN N N 15 117.1 0.1 . 1 . . . . . . . . 5228 2 303 . 2 2 31 31 ASN ND2 N 15 111.0 0.1 . 1 . . . . . . . . 5228 2 304 . 2 2 32 32 ILE H H 1 8.04 0.01 . 1 . . . . . . . . 5228 2 305 . 2 2 32 32 ILE HA H 1 3.70 0.02 . 1 . . . . . . . . 5228 2 306 . 2 2 32 32 ILE HB H 1 1.91 0.02 . 1 . . . . . . . . 5228 2 307 . 2 2 32 32 ILE HG12 H 1 1.07 0.02 . 2 . . . . . . . . 5228 2 308 . 2 2 32 32 ILE HG21 H 1 0.90 0.02 . 1 . . . . . . . . 5228 2 309 . 2 2 32 32 ILE HG22 H 1 0.90 0.02 . 1 . . . . . . . . 5228 2 310 . 2 2 32 32 ILE HG23 H 1 0.90 0.02 . 1 . . . . . . . . 5228 2 311 . 2 2 32 32 ILE HD11 H 1 0.77 0.02 . 1 . . . . . . . . 5228 2 312 . 2 2 32 32 ILE HD12 H 1 0.77 0.02 . 1 . . . . . . . . 5228 2 313 . 2 2 32 32 ILE HD13 H 1 0.77 0.02 . 1 . . . . . . . . 5228 2 314 . 2 2 32 32 ILE C C 13 179.2 0.1 . 1 . . . . . . . . 5228 2 315 . 2 2 32 32 ILE CA C 13 65.4 0.1 . 1 . . . . . . . . 5228 2 316 . 2 2 32 32 ILE CB C 13 38.3 0.1 . 1 . . . . . . . . 5228 2 317 . 2 2 32 32 ILE CG1 C 13 28.8 0.1 . 1 . . . . . . . . 5228 2 318 . 2 2 32 32 ILE CG2 C 13 17.9 0.1 . 1 . . . . . . . . 5228 2 319 . 2 2 32 32 ILE CD1 C 13 14.2 0.1 . 1 . . . . . . . . 5228 2 320 . 2 2 32 32 ILE N N 15 121.8 0.1 . 1 . . . . . . . . 5228 2 321 . 2 2 33 33 LEU H H 1 8.22 0.01 . 1 . . . . . . . . 5228 2 322 . 2 2 33 33 LEU HA H 1 3.90 0.02 . 1 . . . . . . . . 5228 2 323 . 2 2 33 33 LEU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5228 2 324 . 2 2 33 33 LEU HB3 H 1 1.24 0.02 . 2 . . . . . . . . 5228 2 325 . 2 2 33 33 LEU HG H 1 1.81 0.02 . 1 . . . . . . . . 5228 2 326 . 2 2 33 33 LEU HD11 H 1 0.53 0.02 . 2 . . . . . . . . 5228 2 327 . 2 2 33 33 LEU HD12 H 1 0.53 0.02 . 2 . . . . . . . . 5228 2 328 . 2 2 33 33 LEU HD13 H 1 0.53 0.02 . 2 . . . . . . . . 5228 2 329 . 2 2 33 33 LEU HD21 H 1 0.07 0.02 . 2 . . . . . . . . 5228 2 330 . 2 2 33 33 LEU HD22 H 1 0.07 0.02 . 2 . . . . . . . . 5228 2 331 . 2 2 33 33 LEU HD23 H 1 0.07 0.02 . 2 . . . . . . . . 5228 2 332 . 2 2 33 33 LEU C C 13 178.8 0.1 . 1 . . . . . . . . 5228 2 333 . 2 2 33 33 LEU CA C 13 58.3 0.1 . 1 . . . . . . . . 5228 2 334 . 2 2 33 33 LEU CB C 13 41.1 0.1 . 1 . . . . . . . . 5228 2 335 . 2 2 33 33 LEU CG C 13 25.5 0.1 . 1 . . . . . . . . 5228 2 336 . 2 2 33 33 LEU CD1 C 13 22.3 0.1 . 2 . . . . . . . . 5228 2 337 . 2 2 33 33 LEU CD2 C 13 25.8 0.1 . 2 . . . . . . . . 5228 2 338 . 2 2 33 33 LEU N N 15 119.0 0.1 . 1 . . . . . . . . 5228 2 339 . 2 2 34 34 LYS H H 1 8.55 0.01 . 1 . . . . . . . . 5228 2 340 . 2 2 34 34 LYS HA H 1 3.95 0.02 . 1 . . . . . . . . 5228 2 341 . 2 2 34 34 LYS HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5228 2 342 . 2 2 34 34 LYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5228 2 343 . 2 2 34 34 LYS HG2 H 1 1.57 0.02 . 2 . . . . . . . . 5228 2 344 . 2 2 34 34 LYS HG3 H 1 1.46 0.02 . 2 . . . . . . . . 5228 2 345 . 2 2 34 34 LYS HD2 H 1 1.61 0.02 . 2 . . . . . . . . 5228 2 346 . 2 2 34 34 LYS HD3 H 1 1.41 0.02 . 2 . . . . . . . . 5228 2 347 . 2 2 34 34 LYS CA C 13 59.2 0.1 . 1 . . . . . . . . 5228 2 348 . 2 2 34 34 LYS CB C 13 32.3 0.1 . 1 . . . . . . . . 5228 2 349 . 2 2 34 34 LYS CG C 13 25.1 0.1 . 1 . . . . . . . . 5228 2 350 . 2 2 34 34 LYS CD C 13 26.0 0.1 . 1 . . . . . . . . 5228 2 351 . 2 2 34 34 LYS N N 15 115.6 0.1 . 1 . . . . . . . . 5228 2 352 . 2 2 35 35 SER H H 1 7.48 0.01 . 1 . . . . . . . . 5228 2 353 . 2 2 35 35 SER HA H 1 4.52 0.02 . 1 . . . . . . . . 5228 2 354 . 2 2 35 35 SER HB2 H 1 4.02 0.02 . 2 . . . . . . . . 5228 2 355 . 2 2 35 35 SER C C 13 173.5 0.1 . 1 . . . . . . . . 5228 2 356 . 2 2 35 35 SER CA C 13 59.2 0.1 . 1 . . . . . . . . 5228 2 357 . 2 2 35 35 SER CB C 13 64.2 0.1 . 1 . . . . . . . . 5228 2 358 . 2 2 36 36 ASN H H 1 7.39 0.01 . 1 . . . . . . . . 5228 2 359 . 2 2 36 36 ASN HA H 1 5.35 0.02 . 1 . . . . . . . . 5228 2 360 . 2 2 36 36 ASN HB2 H 1 2.82 0.02 . 2 . . . . . . . . 5228 2 361 . 2 2 36 36 ASN HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5228 2 362 . 2 2 36 36 ASN HD21 H 1 8.28 0.01 . 2 . . . . . . . . 5228 2 363 . 2 2 36 36 ASN HD22 H 1 7.19 0.01 . 2 . . . . . . . . 5228 2 364 . 2 2 36 36 ASN CA C 13 51.4 0.1 . 1 . . . . . . . . 5228 2 365 . 2 2 36 36 ASN CB C 13 41.3 0.1 . 1 . . . . . . . . 5228 2 366 . 2 2 36 36 ASN N N 15 118.2 0.1 . 1 . . . . . . . . 5228 2 367 . 2 2 36 36 ASN ND2 N 15 116.5 0.1 . 1 . . . . . . . . 5228 2 368 . 2 2 37 37 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 5228 2 369 . 2 2 37 37 PRO HB2 H 1 2.51 0.02 . 2 . . . . . . . . 5228 2 370 . 2 2 37 37 PRO HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5228 2 371 . 2 2 37 37 PRO HD2 H 1 3.93 0.02 . 2 . . . . . . . . 5228 2 372 . 2 2 37 37 PRO HD3 H 1 3.66 0.02 . 2 . . . . . . . . 5228 2 373 . 2 2 37 37 PRO C C 13 178.9 0.1 . 1 . . . . . . . . 5228 2 374 . 2 2 37 37 PRO CA C 13 65.6 0.1 . 1 . . . . . . . . 5228 2 375 . 2 2 37 37 PRO CB C 13 32.4 0.1 . 1 . . . . . . . . 5228 2 376 . 2 2 37 37 PRO CD C 13 50.4 0.1 . 1 . . . . . . . . 5228 2 377 . 2 2 38 38 GLN H H 1 8.85 0.01 . 1 . . . . . . . . 5228 2 378 . 2 2 38 38 GLN HA H 1 4.27 0.02 . 1 . . . . . . . . 5228 2 379 . 2 2 38 38 GLN HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5228 2 380 . 2 2 38 38 GLN HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5228 2 381 . 2 2 38 38 GLN HG2 H 1 2.50 0.02 . 2 . . . . . . . . 5228 2 382 . 2 2 38 38 GLN HG3 H 1 2.44 0.02 . 2 . . . . . . . . 5228 2 383 . 2 2 38 38 GLN HE21 H 1 7.56 0.01 . 2 . . . . . . . . 5228 2 384 . 2 2 38 38 GLN HE22 H 1 6.89 0.01 . 2 . . . . . . . . 5228 2 385 . 2 2 38 38 GLN C C 13 179.2 0.1 . 1 . . . . . . . . 5228 2 386 . 2 2 38 38 GLN CA C 13 59.0 0.1 . 1 . . . . . . . . 5228 2 387 . 2 2 38 38 GLN CB C 13 28.3 0.1 . 1 . . . . . . . . 5228 2 388 . 2 2 38 38 GLN CG C 13 34.3 0.1 . 1 . . . . . . . . 5228 2 389 . 2 2 38 38 GLN N N 15 117.5 0.1 . 1 . . . . . . . . 5228 2 390 . 2 2 38 38 GLN NE2 N 15 111.7 0.1 . 1 . . . . . . . . 5228 2 391 . 2 2 39 39 LEU H H 1 7.79 0.01 . 1 . . . . . . . . 5228 2 392 . 2 2 39 39 LEU HA H 1 4.52 0.02 . 1 . . . . . . . . 5228 2 393 . 2 2 39 39 LEU HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5228 2 394 . 2 2 39 39 LEU HB3 H 1 1.74 0.02 . 2 . . . . . . . . 5228 2 395 . 2 2 39 39 LEU HG H 1 1.70 0.02 . 1 . . . . . . . . 5228 2 396 . 2 2 39 39 LEU HD11 H 1 1.03 0.02 . 2 . . . . . . . . 5228 2 397 . 2 2 39 39 LEU HD12 H 1 1.03 0.02 . 2 . . . . . . . . 5228 2 398 . 2 2 39 39 LEU HD13 H 1 1.03 0.02 . 2 . . . . . . . . 5228 2 399 . 2 2 39 39 LEU HD21 H 1 0.91 0.02 . 2 . . . . . . . . 5228 2 400 . 2 2 39 39 LEU HD22 H 1 0.91 0.02 . 2 . . . . . . . . 5228 2 401 . 2 2 39 39 LEU HD23 H 1 0.91 0.02 . 2 . . . . . . . . 5228 2 402 . 2 2 39 39 LEU C C 13 178.1 0.1 . 1 . . . . . . . . 5228 2 403 . 2 2 39 39 LEU CA C 13 56.9 0.1 . 1 . . . . . . . . 5228 2 404 . 2 2 39 39 LEU CB C 13 41.6 0.1 . 1 . . . . . . . . 5228 2 405 . 2 2 39 39 LEU CG C 13 26.8 0.1 . 1 . . . . . . . . 5228 2 406 . 2 2 39 39 LEU CD1 C 13 27.4 0.1 . 2 . . . . . . . . 5228 2 407 . 2 2 39 39 LEU CD2 C 13 25.1 0.1 . 2 . . . . . . . . 5228 2 408 . 2 2 39 39 LEU N N 15 121.1 0.1 . 1 . . . . . . . . 5228 2 409 . 2 2 40 40 MET H H 1 8.24 0.01 . 1 . . . . . . . . 5228 2 410 . 2 2 40 40 MET HA H 1 4.02 0.02 . 1 . . . . . . . . 5228 2 411 . 2 2 40 40 MET HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5228 2 412 . 2 2 40 40 MET HG2 H 1 2.63 0.02 . 2 . . . . . . . . 5228 2 413 . 2 2 40 40 MET HE1 H 1 2.00 0.02 . 1 . . . . . . . . 5228 2 414 . 2 2 40 40 MET HE2 H 1 2.00 0.02 . 1 . . . . . . . . 5228 2 415 . 2 2 40 40 MET HE3 H 1 2.00 0.02 . 1 . . . . . . . . 5228 2 416 . 2 2 40 40 MET C C 13 177.6 0.1 . 1 . . . . . . . . 5228 2 417 . 2 2 40 40 MET CA C 13 59.7 0.1 . 1 . . . . . . . . 5228 2 418 . 2 2 40 40 MET CB C 13 32.2 0.1 . 1 . . . . . . . . 5228 2 419 . 2 2 40 40 MET CG C 13 32.1 0.1 . 1 . . . . . . . . 5228 2 420 . 2 2 40 40 MET CE C 13 17.7 0.1 . 1 . . . . . . . . 5228 2 421 . 2 2 40 40 MET N N 15 119.0 0.1 . 1 . . . . . . . . 5228 2 422 . 2 2 41 41 ALA H H 1 8.11 0.01 . 1 . . . . . . . . 5228 2 423 . 2 2 41 41 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . 5228 2 424 . 2 2 41 41 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 5228 2 425 . 2 2 41 41 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 5228 2 426 . 2 2 41 41 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 5228 2 427 . 2 2 41 41 ALA C C 13 180.1 0.1 . 1 . . . . . . . . 5228 2 428 . 2 2 41 41 ALA CA C 13 55.2 0.1 . 1 . . . . . . . . 5228 2 429 . 2 2 41 41 ALA CB C 13 17.9 0.1 . 1 . . . . . . . . 5228 2 430 . 2 2 41 41 ALA N N 15 119.2 0.1 . 1 . . . . . . . . 5228 2 431 . 2 2 42 42 ALA H H 1 7.57 0.01 . 1 . . . . . . . . 5228 2 432 . 2 2 42 42 ALA HA H 1 4.19 0.02 . 1 . . . . . . . . 5228 2 433 . 2 2 42 42 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 5228 2 434 . 2 2 42 42 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 5228 2 435 . 2 2 42 42 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 5228 2 436 . 2 2 42 42 ALA C C 13 179.4 0.1 . 1 . . . . . . . . 5228 2 437 . 2 2 42 42 ALA CA C 13 54.9 0.1 . 1 . . . . . . . . 5228 2 438 . 2 2 42 42 ALA CB C 13 18.0 0.1 . 1 . . . . . . . . 5228 2 439 . 2 2 42 42 ALA N N 15 120.3 0.1 . 1 . . . . . . . . 5228 2 440 . 2 2 43 43 PHE H H 1 8.62 0.01 . 1 . . . . . . . . 5228 2 441 . 2 2 43 43 PHE HA H 1 3.88 0.02 . 1 . . . . . . . . 5228 2 442 . 2 2 43 43 PHE HB2 H 1 3.47 0.02 . 2 . . . . . . . . 5228 2 443 . 2 2 43 43 PHE HB3 H 1 2.97 0.02 . 2 . . . . . . . . 5228 2 444 . 2 2 43 43 PHE HD1 H 1 6.94 0.02 . 1 . . . . . . . . 5228 2 445 . 2 2 43 43 PHE HD2 H 1 6.94 0.02 . 1 . . . . . . . . 5228 2 446 . 2 2 43 43 PHE HE1 H 1 7.20 0.02 . 1 . . . . . . . . 5228 2 447 . 2 2 43 43 PHE HE2 H 1 7.20 0.02 . 1 . . . . . . . . 5228 2 448 . 2 2 43 43 PHE HZ H 1 7.19 0.02 . 1 . . . . . . . . 5228 2 449 . 2 2 43 43 PHE C C 13 177.3 0.1 . 1 . . . . . . . . 5228 2 450 . 2 2 43 43 PHE CA C 13 61.7 0.1 . 1 . . . . . . . . 5228 2 451 . 2 2 43 43 PHE CB C 13 40.5 0.1 . 1 . . . . . . . . 5228 2 452 . 2 2 43 43 PHE CD1 C 13 131.4 0.1 . 1 . . . . . . . . 5228 2 453 . 2 2 43 43 PHE CD2 C 13 131.4 0.1 . 1 . . . . . . . . 5228 2 454 . 2 2 43 43 PHE CE1 C 13 131.0 0.1 . 1 . . . . . . . . 5228 2 455 . 2 2 43 43 PHE CE2 C 13 131.0 0.1 . 1 . . . . . . . . 5228 2 456 . 2 2 43 43 PHE CZ C 13 129.5 0.1 . 1 . . . . . . . . 5228 2 457 . 2 2 43 43 PHE N N 15 119.7 0.1 . 1 . . . . . . . . 5228 2 458 . 2 2 44 44 ILE H H 1 8.74 0.01 . 1 . . . . . . . . 5228 2 459 . 2 2 44 44 ILE HA H 1 3.58 0.02 . 1 . . . . . . . . 5228 2 460 . 2 2 44 44 ILE HB H 1 1.99 0.02 . 1 . . . . . . . . 5228 2 461 . 2 2 44 44 ILE HG12 H 1 2.05 0.02 . 2 . . . . . . . . 5228 2 462 . 2 2 44 44 ILE HG13 H 1 1.12 0.02 . 2 . . . . . . . . 5228 2 463 . 2 2 44 44 ILE HG21 H 1 0.89 0.02 . 1 . . . . . . . . 5228 2 464 . 2 2 44 44 ILE HG22 H 1 0.89 0.02 . 1 . . . . . . . . 5228 2 465 . 2 2 44 44 ILE HG23 H 1 0.89 0.02 . 1 . . . . . . . . 5228 2 466 . 2 2 44 44 ILE HD11 H 1 0.98 0.02 . 1 . . . . . . . . 5228 2 467 . 2 2 44 44 ILE HD12 H 1 0.98 0.02 . 1 . . . . . . . . 5228 2 468 . 2 2 44 44 ILE HD13 H 1 0.98 0.02 . 1 . . . . . . . . 5228 2 469 . 2 2 44 44 ILE C C 13 179.1 0.1 . 1 . . . . . . . . 5228 2 470 . 2 2 44 44 ILE CA C 13 65.9 0.1 . 1 . . . . . . . . 5228 2 471 . 2 2 44 44 ILE CB C 13 38.1 0.1 . 1 . . . . . . . . 5228 2 472 . 2 2 44 44 ILE CG1 C 13 30.0 0.1 . 1 . . . . . . . . 5228 2 473 . 2 2 44 44 ILE CG2 C 13 17.2 0.1 . 1 . . . . . . . . 5228 2 474 . 2 2 44 44 ILE CD1 C 13 13.6 0.1 . 1 . . . . . . . . 5228 2 475 . 2 2 44 44 ILE N N 15 117.9 0.1 . 1 . . . . . . . . 5228 2 476 . 2 2 45 45 LYS H H 1 8.18 0.01 . 1 . . . . . . . . 5228 2 477 . 2 2 45 45 LYS HA H 1 3.71 0.02 . 1 . . . . . . . . 5228 2 478 . 2 2 45 45 LYS HB2 H 1 2.27 0.02 . 2 . . . . . . . . 5228 2 479 . 2 2 45 45 LYS HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5228 2 480 . 2 2 45 45 LYS C C 13 178.2 0.1 . 1 . . . . . . . . 5228 2 481 . 2 2 45 45 LYS CA C 13 59.4 0.1 . 1 . . . . . . . . 5228 2 482 . 2 2 45 45 LYS CB C 13 27.8 0.1 . 1 . . . . . . . . 5228 2 483 . 2 2 45 45 LYS N N 15 120.8 0.1 . 1 . . . . . . . . 5228 2 484 . 2 2 46 46 GLN H H 1 7.88 0.01 . 1 . . . . . . . . 5228 2 485 . 2 2 46 46 GLN HA H 1 3.94 0.02 . 1 . . . . . . . . 5228 2 486 . 2 2 46 46 GLN HB2 H 1 2.17 0.02 . 1 . . . . . . . . 5228 2 487 . 2 2 46 46 GLN HB3 H 1 2.17 0.02 . 1 . . . . . . . . 5228 2 488 . 2 2 46 46 GLN HE21 H 1 6.72 0.01 . 2 . . . . . . . . 5228 2 489 . 2 2 46 46 GLN HE22 H 1 7.26 0.01 . 2 . . . . . . . . 5228 2 490 . 2 2 46 46 GLN C C 13 178.8 0.1 . 1 . . . . . . . . 5228 2 491 . 2 2 46 46 GLN CA C 13 58.3 0.1 . 1 . . . . . . . . 5228 2 492 . 2 2 46 46 GLN CB C 13 28.3 0.1 . 1 . . . . . . . . 5228 2 493 . 2 2 46 46 GLN N N 15 117.1 0.1 . 1 . . . . . . . . 5228 2 494 . 2 2 46 46 GLN NE2 N 15 110.7 0.1 . 1 . . . . . . . . 5228 2 495 . 2 2 47 47 ARG H H 1 8.15 0.01 . 1 . . . . . . . . 5228 2 496 . 2 2 47 47 ARG HA H 1 4.05 0.02 . 1 . . . . . . . . 5228 2 497 . 2 2 47 47 ARG HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5228 2 498 . 2 2 47 47 ARG HB3 H 1 1.77 0.02 . 2 . . . . . . . . 5228 2 499 . 2 2 47 47 ARG HG2 H 1 1.50 0.02 . 2 . . . . . . . . 5228 2 500 . 2 2 47 47 ARG HG3 H 1 1.36 0.02 . 2 . . . . . . . . 5228 2 501 . 2 2 47 47 ARG HD2 H 1 3.03 0.02 . 2 . . . . . . . . 5228 2 502 . 2 2 47 47 ARG HD3 H 1 2.65 0.02 . 2 . . . . . . . . 5228 2 503 . 2 2 47 47 ARG HE H 1 9.62 0.01 . 1 . . . . . . . . 5228 2 504 . 2 2 47 47 ARG C C 13 178.8 0.1 . 1 . . . . . . . . 5228 2 505 . 2 2 47 47 ARG CA C 13 55.6 0.1 . 1 . . . . . . . . 5228 2 506 . 2 2 47 47 ARG CB C 13 28.5 0.1 . 1 . . . . . . . . 5228 2 507 . 2 2 47 47 ARG CG C 13 23.9 0.1 . 1 . . . . . . . . 5228 2 508 . 2 2 47 47 ARG CD C 13 39.8 0.1 . 1 . . . . . . . . 5228 2 509 . 2 2 47 47 ARG N N 15 116.2 0.1 . 1 . . . . . . . . 5228 2 510 . 2 2 48 48 THR H H 1 8.24 0.01 . 1 . . . . . . . . 5228 2 511 . 2 2 48 48 THR HA H 1 3.88 0.02 . 1 . . . . . . . . 5228 2 512 . 2 2 48 48 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 5228 2 513 . 2 2 48 48 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 5228 2 514 . 2 2 48 48 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 5228 2 515 . 2 2 48 48 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 5228 2 516 . 2 2 48 48 THR C C 13 175.8 0.1 . 1 . . . . . . . . 5228 2 517 . 2 2 48 48 THR CA C 13 66.4 0.1 . 1 . . . . . . . . 5228 2 518 . 2 2 48 48 THR CB C 13 68.9 0.1 . 1 . . . . . . . . 5228 2 519 . 2 2 48 48 THR CG2 C 13 21.8 0.1 . 1 . . . . . . . . 5228 2 520 . 2 2 48 48 THR N N 15 112.7 0.1 . 1 . . . . . . . . 5228 2 521 . 2 2 49 49 ALA H H 1 7.30 0.01 . 1 . . . . . . . . 5228 2 522 . 2 2 49 49 ALA HA H 1 4.16 0.02 . 1 . . . . . . . . 5228 2 523 . 2 2 49 49 ALA HB1 H 1 1.49 0.02 . 1 . . . . . . . . 5228 2 524 . 2 2 49 49 ALA HB2 H 1 1.49 0.02 . 1 . . . . . . . . 5228 2 525 . 2 2 49 49 ALA HB3 H 1 1.49 0.02 . 1 . . . . . . . . 5228 2 526 . 2 2 49 49 ALA C C 13 179.1 0.1 . 1 . . . . . . . . 5228 2 527 . 2 2 49 49 ALA CA C 13 54.4 0.1 . 1 . . . . . . . . 5228 2 528 . 2 2 49 49 ALA CB C 13 18.3 0.1 . 1 . . . . . . . . 5228 2 529 . 2 2 49 49 ALA N N 15 121.6 0.1 . 1 . . . . . . . . 5228 2 530 . 2 2 50 50 LYS H H 1 7.50 0.01 . 1 . . . . . . . . 5228 2 531 . 2 2 50 50 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . 5228 2 532 . 2 2 50 50 LYS HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5228 2 533 . 2 2 50 50 LYS HG2 H 1 1.28 0.02 . 2 . . . . . . . . 5228 2 534 . 2 2 50 50 LYS HG3 H 1 1.19 0.02 . 2 . . . . . . . . 5228 2 535 . 2 2 50 50 LYS HD2 H 1 1.77 0.02 . 2 . . . . . . . . 5228 2 536 . 2 2 50 50 LYS HD3 H 1 1.71 0.02 . 2 . . . . . . . . 5228 2 537 . 2 2 50 50 LYS HE2 H 1 2.90 0.02 . 1 . . . . . . . . 5228 2 538 . 2 2 50 50 LYS HE3 H 1 2.90 0.02 . 1 . . . . . . . . 5228 2 539 . 2 2 50 50 LYS C C 13 177.2 0.1 . 1 . . . . . . . . 5228 2 540 . 2 2 50 50 LYS CA C 13 56.9 0.1 . 1 . . . . . . . . 5228 2 541 . 2 2 50 50 LYS CB C 13 28.5 0.1 . 1 . . . . . . . . 5228 2 542 . 2 2 50 50 LYS CG C 13 24.2 0.1 . 1 . . . . . . . . 5228 2 543 . 2 2 50 50 LYS CD C 13 31.7 0.1 . 1 . . . . . . . . 5228 2 544 . 2 2 50 50 LYS CE C 13 42.0 0.1 . 1 . . . . . . . . 5228 2 545 . 2 2 50 50 LYS N N 15 116.2 0.1 . 1 . . . . . . . . 5228 2 546 . 2 2 51 51 TYR H H 1 7.68 0.01 . 1 . . . . . . . . 5228 2 547 . 2 2 51 51 TYR HA H 1 4.35 0.02 . 1 . . . . . . . . 5228 2 548 . 2 2 51 51 TYR HB2 H 1 3.17 0.02 . 2 . . . . . . . . 5228 2 549 . 2 2 51 51 TYR HB3 H 1 2.85 0.02 . 2 . . . . . . . . 5228 2 550 . 2 2 51 51 TYR HD1 H 1 7.20 0.02 . 1 . . . . . . . . 5228 2 551 . 2 2 51 51 TYR HD2 H 1 7.20 0.02 . 1 . . . . . . . . 5228 2 552 . 2 2 51 51 TYR HE1 H 1 6.77 0.02 . 1 . . . . . . . . 5228 2 553 . 2 2 51 51 TYR HE2 H 1 6.77 0.02 . 1 . . . . . . . . 5228 2 554 . 2 2 51 51 TYR C C 13 176.6 0.1 . 1 . . . . . . . . 5228 2 555 . 2 2 51 51 TYR CA C 13 59.6 0.1 . 1 . . . . . . . . 5228 2 556 . 2 2 51 51 TYR CB C 13 39.3 0.1 . 1 . . . . . . . . 5228 2 557 . 2 2 51 51 TYR CD1 C 13 132.9 0.1 . 1 . . . . . . . . 5228 2 558 . 2 2 51 51 TYR CD2 C 13 132.9 0.1 . 1 . . . . . . . . 5228 2 559 . 2 2 51 51 TYR CE1 C 13 118.9 0.1 . 1 . . . . . . . . 5228 2 560 . 2 2 51 51 TYR CE2 C 13 118.9 0.1 . 1 . . . . . . . . 5228 2 561 . 2 2 51 51 TYR N N 15 117.7 0.1 . 1 . . . . . . . . 5228 2 562 . 2 2 52 52 VAL H H 1 7.70 0.01 . 1 . . . . . . . . 5228 2 563 . 2 2 52 52 VAL HA H 1 4.00 0.02 . 1 . . . . . . . . 5228 2 564 . 2 2 52 52 VAL HB H 1 2.14 0.02 . 1 . . . . . . . . 5228 2 565 . 2 2 52 52 VAL HG11 H 1 0.97 0.02 . 2 . . . . . . . . 5228 2 566 . 2 2 52 52 VAL HG12 H 1 0.97 0.02 . 2 . . . . . . . . 5228 2 567 . 2 2 52 52 VAL HG13 H 1 0.97 0.02 . 2 . . . . . . . . 5228 2 568 . 2 2 52 52 VAL HG21 H 1 1.00 0.02 . 2 . . . . . . . . 5228 2 569 . 2 2 52 52 VAL HG22 H 1 1.00 0.02 . 2 . . . . . . . . 5228 2 570 . 2 2 52 52 VAL HG23 H 1 1.00 0.02 . 2 . . . . . . . . 5228 2 571 . 2 2 52 52 VAL C C 13 176.0 0.1 . 1 . . . . . . . . 5228 2 572 . 2 2 52 52 VAL CA C 13 67.4 0.1 . 1 . . . . . . . . 5228 2 573 . 2 2 52 52 VAL CB C 13 32.7 0.1 . 1 . . . . . . . . 5228 2 574 . 2 2 52 52 VAL CG1 C 13 21.2 0.1 . 2 . . . . . . . . 5228 2 575 . 2 2 52 52 VAL CG2 C 13 21.0 0.1 . 2 . . . . . . . . 5228 2 576 . 2 2 52 52 VAL N N 15 118.2 0.1 . 1 . . . . . . . . 5228 2 577 . 2 2 53 53 ALA H H 1 7.93 0.01 . 1 . . . . . . . . 5228 2 578 . 2 2 53 53 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 5228 2 579 . 2 2 53 53 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 5228 2 580 . 2 2 53 53 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 5228 2 581 . 2 2 53 53 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 5228 2 582 . 2 2 53 53 ALA C C 13 177.5 0.1 . 1 . . . . . . . . 5228 2 583 . 2 2 53 53 ALA CA C 13 52.7 0.1 . 1 . . . . . . . . 5228 2 584 . 2 2 53 53 ALA CB C 13 19.0 0.1 . 1 . . . . . . . . 5228 2 585 . 2 2 53 53 ALA N N 15 124.5 0.1 . 1 . . . . . . . . 5228 2 586 . 2 2 54 54 ASN H H 1 8.01 0.01 . 1 . . . . . . . . 5228 2 587 . 2 2 54 54 ASN HA H 1 4.71 0.02 . 1 . . . . . . . . 5228 2 588 . 2 2 54 54 ASN HB2 H 1 2.83 0.02 . 2 . . . . . . . . 5228 2 589 . 2 2 54 54 ASN HB3 H 1 2.75 0.02 . 2 . . . . . . . . 5228 2 590 . 2 2 54 54 ASN C C 13 174.8 0.1 . 1 . . . . . . . . 5228 2 591 . 2 2 54 54 ASN CA C 13 53.0 0.1 . 1 . . . . . . . . 5228 2 592 . 2 2 54 54 ASN CB C 13 39.0 0.1 . 1 . . . . . . . . 5228 2 593 . 2 2 54 54 ASN N N 15 116.6 0.1 . 1 . . . . . . . . 5228 2 594 . 2 2 55 55 GLN H H 1 8.02 0.01 . 1 . . . . . . . . 5228 2 595 . 2 2 55 55 GLN HA H 1 4.64 0.02 . 1 . . . . . . . . 5228 2 596 . 2 2 55 55 GLN HB2 H 1 2.13 0.02 . 2 . . . . . . . . 5228 2 597 . 2 2 55 55 GLN HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5228 2 598 . 2 2 55 55 GLN HG2 H 1 2.41 0.02 . 1 . . . . . . . . 5228 2 599 . 2 2 55 55 GLN HG3 H 1 2.41 0.02 . 1 . . . . . . . . 5228 2 600 . 2 2 55 55 GLN CA C 13 53.7 0.1 . 1 . . . . . . . . 5228 2 601 . 2 2 55 55 GLN CB C 13 28.9 0.1 . 1 . . . . . . . . 5228 2 602 . 2 2 55 55 GLN CG C 13 33.6 0.1 . 1 . . . . . . . . 5228 2 603 . 2 2 55 55 GLN N N 15 120.9 0.1 . 1 . . . . . . . . 5228 2 604 . 2 2 56 56 PRO HA H 1 4.44 0.02 . 1 . . . . . . . . 5228 2 605 . 2 2 56 56 PRO HB2 H 1 1.97 0.02 . 2 . . . . . . . . 5228 2 606 . 2 2 56 56 PRO HG2 H 1 2.09 0.02 . 2 . . . . . . . . 5228 2 607 . 2 2 56 56 PRO HD2 H 1 3.81 0.02 . 2 . . . . . . . . 5228 2 608 . 2 2 56 56 PRO HD3 H 1 3.70 0.02 . 2 . . . . . . . . 5228 2 609 . 2 2 56 56 PRO C C 13 177.6 0.1 . 1 . . . . . . . . 5228 2 610 . 2 2 56 56 PRO CA C 13 63.5 0.1 . 1 . . . . . . . . 5228 2 611 . 2 2 56 56 PRO CB C 13 32.0 0.1 . 1 . . . . . . . . 5228 2 612 . 2 2 56 56 PRO CG C 13 27.3 0.1 . 1 . . . . . . . . 5228 2 613 . 2 2 56 56 PRO CD C 13 50.6 0.1 . 1 . . . . . . . . 5228 2 614 . 2 2 57 57 GLY H H 1 8.44 0.01 . 1 . . . . . . . . 5228 2 615 . 2 2 57 57 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 5228 2 616 . 2 2 57 57 GLY C C 13 174.2 0.1 . 1 . . . . . . . . 5228 2 617 . 2 2 57 57 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5228 2 618 . 2 2 57 57 GLY N N 15 108.8 0.1 . 1 . . . . . . . . 5228 2 619 . 2 2 58 58 MET H H 1 8.01 0.01 . 1 . . . . . . . . 5228 2 620 . 2 2 58 58 MET HA H 1 4.45 0.02 . 1 . . . . . . . . 5228 2 621 . 2 2 58 58 MET HB2 H 1 2.17 0.02 . 2 . . . . . . . . 5228 2 622 . 2 2 58 58 MET HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5228 2 623 . 2 2 58 58 MET HE1 H 1 2.12 0.02 . 1 . . . . . . . . 5228 2 624 . 2 2 58 58 MET HE2 H 1 2.12 0.02 . 1 . . . . . . . . 5228 2 625 . 2 2 58 58 MET HE3 H 1 2.12 0.02 . 1 . . . . . . . . 5228 2 626 . 2 2 58 58 MET C C 13 175.4 0.1 . 1 . . . . . . . . 5228 2 627 . 2 2 58 58 MET CA C 13 55.9 0.1 . 1 . . . . . . . . 5228 2 628 . 2 2 58 58 MET CE C 13 17.0 0.1 . 1 . . . . . . . . 5228 2 629 . 2 2 58 58 MET N N 15 119.6 0.1 . 1 . . . . . . . . 5228 2 630 . 2 2 59 59 GLN H H 1 7.88 0.01 . 1 . . . . . . . . 5228 2 631 . 2 2 59 59 GLN HA H 1 4.54 0.02 . 1 . . . . . . . . 5228 2 632 . 2 2 59 59 GLN HB2 H 1 2.56 0.02 . 2 . . . . . . . . 5228 2 633 . 2 2 59 59 GLN HG2 H 1 2.34 0.02 . 2 . . . . . . . . 5228 2 634 . 2 2 59 59 GLN HE21 H 1 6.84 0.01 . 2 . . . . . . . . 5228 2 635 . 2 2 59 59 GLN HE22 H 1 7.51 0.01 . 2 . . . . . . . . 5228 2 636 . 2 2 59 59 GLN CA C 13 55.3 0.1 . 1 . . . . . . . . 5228 2 637 . 2 2 59 59 GLN N N 15 125.7 0.1 . 1 . . . . . . . . 5228 2 stop_ save_